USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1034 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 126 TYR OH : rot 8:sc= -1.09 USER MOD Set 1.2: A 130 MET CE :methyl -107:sc= -1.3 (180deg=-4.57!) USER MOD Set 2.1: A 53 SER OG : rot 45:sc= 1.62 USER MOD Set 2.2: A 62 LYS NZ :NH3+ 164:sc= 1.55 (180deg=0.0963) USER MOD Set 3.1: A 29 THR OG1 : rot 170:sc= 0.361 USER MOD Set 3.2: A 33 LYS NZ :NH3+ 167:sc= 0.0875 (180deg=-0.578) USER MOD Single : A 4 SER OG : rot 180:sc= -0.627 USER MOD Single : A 10 LYS NZ :NH3+ 132:sc= -0.0325 (180deg=-0.309) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0521 USER MOD Single : A 17 LYS NZ :NH3+ -101:sc= 0.983 (180deg=-0.468) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= 0.245 K(o=0.25,f=-3.9!) USER MOD Single : A 34 THR OG1 : rot -25:sc= 0.18 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.182 K(o=0.18,f=-2.4!) USER MOD Single : A 47 CYS SG : rot 161:sc= -2.61! USER MOD Single : A 51 LYS NZ :NH3+ 163:sc= -1.88! (180deg=-2.67!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= -0.0763 (180deg=-0.424) USER MOD Single : A 57 GLN : amide:sc= -1.36! C(o=-1.4!,f=-7!) USER MOD Single : A 58 GLN : amide:sc= -2.65! K(o=-2.6!,f=-1.1) USER MOD Single : A 60 HIS : no HD1:sc= -1.98! K(o=-2!,f=0.52) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -1.49! C(o=-1.5!,f=-6.8!) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 77 LYS NZ :NH3+ -143:sc= -1.76! (180deg=-3.34!) USER MOD Single : A 80 ASN : amide:sc= -0.734 K(o=-0.73,f=0) USER MOD Single : A 84 HIS : no HE2:sc= 0.497 K(o=0.5,f=-1.5!) USER MOD Single : A 85 THR OG1 : rot 53:sc= -0.087 USER MOD Single : A 86 LYS NZ :NH3+ -177:sc= 1.3 (180deg=1.28) USER MOD Single : A 90 THR OG1 : rot -12:sc= 1.14 USER MOD Single : A 91 ASN : amide:sc= 1.17 K(o=1.2,f=-5.2e-05) USER MOD Single : A 92 SER OG : rot 81:sc= 0.95 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.075) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-4.5!) USER MOD Single : A 100 SER OG : rot -96:sc= 0.451 USER MOD Single : A 105 GLN : amide:sc= 0.3 K(o=0.3,f=-0.3) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -2.23! K(o=-2.2!,f=-0.83) USER MOD Single : A 112 MET CE :methyl -159:sc= -1.17 (180deg=-3.27!) USER MOD Single : A 114 GLN : amide:sc= -0.882 K(o=-0.88,f=-4.3!) USER MOD Single : A 116 SER OG : rot 92:sc= 0.0874 USER MOD Single : A 117 TYR OH : rot 16:sc= 0.877 USER MOD Single : A 118 THR OG1 : rot -62:sc= 1.19 USER MOD Single : A 122 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0118) USER MOD Single : A 123 SER OG : rot -89:sc= 1.68 USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 -18.876 -8.304 -6.292 1.00 0.00 N ATOM 32 CA VAL A 3 -18.931 -8.583 -4.864 1.00 0.00 C ATOM 33 C VAL A 3 -20.361 -8.433 -4.349 1.00 0.00 C ATOM 34 O VAL A 3 -21.103 -7.555 -4.794 1.00 0.00 O ATOM 35 CB VAL A 3 -17.980 -7.646 -4.070 1.00 0.00 C ATOM 36 CG1 VAL A 3 -18.304 -6.176 -4.338 1.00 0.00 C ATOM 37 CG2 VAL A 3 -18.033 -7.949 -2.574 1.00 0.00 C ATOM 0 HA VAL A 3 -18.602 -9.611 -4.712 1.00 0.00 H new ATOM 0 HB VAL A 3 -16.964 -7.835 -4.417 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.622 -5.544 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -18.191 -5.967 -5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -19.330 -5.968 -4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -17.358 -7.278 -2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -19.050 -7.804 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -17.729 -8.981 -2.401 1.00 0.00 H new ATOM 47 N SER A 4 -20.747 -9.322 -3.443 1.00 0.00 N ATOM 48 CA SER A 4 -22.059 -9.275 -2.809 1.00 0.00 C ATOM 49 C SER A 4 -21.982 -8.400 -1.555 1.00 0.00 C ATOM 50 O SER A 4 -20.934 -8.354 -0.909 1.00 0.00 O ATOM 51 CB SER A 4 -22.506 -10.703 -2.451 1.00 0.00 C ATOM 52 OG SER A 4 -23.808 -10.724 -1.891 1.00 0.00 O ATOM 0 H SER A 4 -20.161 -10.095 -3.127 1.00 0.00 H new ATOM 0 HA SER A 4 -22.790 -8.844 -3.493 1.00 0.00 H new ATOM 0 HB2 SER A 4 -22.486 -11.325 -3.346 1.00 0.00 H new ATOM 0 HB3 SER A 4 -21.800 -11.138 -1.744 1.00 0.00 H new ATOM 0 HG SER A 4 -24.058 -11.647 -1.678 1.00 0.00 H new ATOM 58 N PRO A 5 -23.078 -7.692 -1.192 1.00 0.00 N ATOM 59 CA PRO A 5 -23.114 -6.833 0.004 1.00 0.00 C ATOM 60 C PRO A 5 -22.579 -7.556 1.241 1.00 0.00 C ATOM 61 O PRO A 5 -21.951 -6.946 2.110 1.00 0.00 O ATOM 62 CB PRO A 5 -24.611 -6.488 0.170 1.00 0.00 C ATOM 63 CG PRO A 5 -25.336 -7.376 -0.792 1.00 0.00 C ATOM 64 CD PRO A 5 -24.364 -7.662 -1.903 1.00 0.00 C ATOM 0 HA PRO A 5 -22.484 -5.951 -0.107 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -24.943 -6.664 1.193 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -24.798 -5.437 -0.049 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -25.657 -8.298 -0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -26.233 -6.888 -1.174 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -24.578 -8.610 -2.397 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -24.386 -6.890 -2.672 1.00 0.00 H new ATOM 72 N GLU A 6 -22.815 -8.863 1.293 1.00 0.00 N ATOM 73 CA GLU A 6 -22.332 -9.696 2.387 1.00 0.00 C ATOM 74 C GLU A 6 -20.801 -9.698 2.412 1.00 0.00 C ATOM 75 O GLU A 6 -20.180 -9.367 3.420 1.00 0.00 O ATOM 76 CB GLU A 6 -22.876 -11.122 2.228 1.00 0.00 C ATOM 77 CG GLU A 6 -24.399 -11.178 2.124 1.00 0.00 C ATOM 78 CD GLU A 6 -24.931 -12.589 1.950 1.00 0.00 C ATOM 79 OE1 GLU A 6 -25.152 -13.276 2.970 1.00 0.00 O ATOM 80 OE2 GLU A 6 -25.133 -13.021 0.794 1.00 0.00 O ATOM 0 H GLU A 6 -23.343 -9.371 0.583 1.00 0.00 H new ATOM 0 HA GLU A 6 -22.687 -9.290 3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -22.441 -11.572 1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -22.554 -11.723 3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -24.835 -10.739 3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -24.723 -10.567 1.281 1.00 0.00 H new ATOM 87 N GLU A 7 -20.198 -10.040 1.284 1.00 0.00 N ATOM 88 CA GLU A 7 -18.744 -10.042 1.159 1.00 0.00 C ATOM 89 C GLU A 7 -18.201 -8.619 1.340 1.00 0.00 C ATOM 90 O GLU A 7 -17.088 -8.421 1.824 1.00 0.00 O ATOM 91 CB GLU A 7 -18.342 -10.607 -0.212 1.00 0.00 C ATOM 92 CG GLU A 7 -16.836 -10.727 -0.432 1.00 0.00 C ATOM 93 CD GLU A 7 -16.179 -11.777 0.455 1.00 0.00 C ATOM 94 OE1 GLU A 7 -16.484 -12.974 0.290 1.00 0.00 O ATOM 95 OE2 GLU A 7 -15.331 -11.412 1.298 1.00 0.00 O ATOM 0 H GLU A 7 -20.693 -10.321 0.438 1.00 0.00 H new ATOM 0 HA GLU A 7 -18.315 -10.675 1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.793 -11.592 -0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.760 -9.969 -0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.647 -10.974 -1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.370 -9.760 -0.244 1.00 0.00 H new ATOM 102 N ALA A 8 -19.015 -7.632 0.973 1.00 0.00 N ATOM 103 CA ALA A 8 -18.630 -6.228 1.074 1.00 0.00 C ATOM 104 C ALA A 8 -18.508 -5.787 2.535 1.00 0.00 C ATOM 105 O ALA A 8 -17.591 -5.043 2.889 1.00 0.00 O ATOM 106 CB ALA A 8 -19.624 -5.351 0.322 1.00 0.00 C ATOM 0 H ALA A 8 -19.953 -7.782 0.600 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.648 -6.112 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -19.324 -4.306 0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -19.642 -5.640 -0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -20.618 -5.478 0.750 1.00 0.00 H new ATOM 112 N VAL A 9 -19.425 -6.245 3.393 1.00 0.00 N ATOM 113 CA VAL A 9 -19.341 -5.914 4.817 1.00 0.00 C ATOM 114 C VAL A 9 -18.178 -6.666 5.461 1.00 0.00 C ATOM 115 O VAL A 9 -17.656 -6.255 6.500 1.00 0.00 O ATOM 116 CB VAL A 9 -20.658 -6.194 5.595 1.00 0.00 C ATOM 117 CG1 VAL A 9 -21.822 -5.414 4.990 1.00 0.00 C ATOM 118 CG2 VAL A 9 -20.974 -7.686 5.653 1.00 0.00 C ATOM 0 H VAL A 9 -20.217 -6.833 3.134 1.00 0.00 H new ATOM 0 HA VAL A 9 -19.170 -4.839 4.877 1.00 0.00 H new ATOM 0 HB VAL A 9 -20.511 -5.852 6.620 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -22.732 -5.626 5.551 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -21.608 -4.346 5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -21.959 -5.712 3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -21.901 -7.840 6.205 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -21.085 -8.074 4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -20.161 -8.211 6.155 1.00 0.00 H new ATOM 128 N LYS A 10 -17.763 -7.764 4.824 1.00 0.00 N ATOM 129 CA LYS A 10 -16.568 -8.497 5.247 1.00 0.00 C ATOM 130 C LYS A 10 -15.301 -7.685 4.962 1.00 0.00 C ATOM 131 O LYS A 10 -14.233 -7.974 5.497 1.00 0.00 O ATOM 132 CB LYS A 10 -16.494 -9.873 4.559 1.00 0.00 C ATOM 133 CG LYS A 10 -17.159 -11.001 5.347 1.00 0.00 C ATOM 134 CD LYS A 10 -18.628 -10.718 5.643 1.00 0.00 C ATOM 135 CE LYS A 10 -19.257 -11.819 6.488 1.00 0.00 C ATOM 136 NZ LYS A 10 -18.591 -11.955 7.811 1.00 0.00 N ATOM 0 H LYS A 10 -18.237 -8.164 4.014 1.00 0.00 H new ATOM 0 HA LYS A 10 -16.637 -8.657 6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.965 -9.803 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.447 -10.128 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.078 -11.931 4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -16.624 -11.149 6.285 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -18.717 -9.765 6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -19.176 -10.621 4.706 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -20.315 -11.603 6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.196 -12.766 5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.311 -11.990 8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.030 -12.830 7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.965 -11.140 7.970 1.00 0.00 H new ATOM 150 N TRP A 11 -15.416 -6.669 4.117 1.00 0.00 N ATOM 151 CA TRP A 11 -14.300 -5.760 3.869 1.00 0.00 C ATOM 152 C TRP A 11 -14.210 -4.733 4.996 1.00 0.00 C ATOM 153 O TRP A 11 -13.180 -4.082 5.181 1.00 0.00 O ATOM 154 CB TRP A 11 -14.458 -5.057 2.512 1.00 0.00 C ATOM 155 CG TRP A 11 -14.459 -5.998 1.338 1.00 0.00 C ATOM 156 CD1 TRP A 11 -14.301 -7.356 1.369 1.00 0.00 C ATOM 157 CD2 TRP A 11 -14.618 -5.647 -0.042 1.00 0.00 C ATOM 158 NE1 TRP A 11 -14.364 -7.869 0.098 1.00 0.00 N ATOM 159 CE2 TRP A 11 -14.554 -6.839 -0.787 1.00 0.00 C ATOM 160 CE3 TRP A 11 -14.811 -4.440 -0.721 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -14.673 -6.859 -2.174 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -14.932 -4.461 -2.097 1.00 0.00 C ATOM 163 CH2 TRP A 11 -14.862 -5.663 -2.811 1.00 0.00 C ATOM 0 H TRP A 11 -16.264 -6.453 3.594 1.00 0.00 H new ATOM 0 HA TRP A 11 -13.377 -6.340 3.841 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -15.389 -4.491 2.513 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -13.648 -4.338 2.389 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -14.149 -7.940 2.264 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -14.283 -8.855 -0.148 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -14.865 -3.507 -0.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -14.618 -7.785 -2.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -15.083 -3.534 -2.631 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -14.959 -5.646 -3.886 1.00 0.00 H new ATOM 174 N GLY A 12 -15.295 -4.620 5.764 1.00 0.00 N ATOM 175 CA GLY A 12 -15.362 -3.662 6.856 1.00 0.00 C ATOM 176 C GLY A 12 -15.009 -4.274 8.200 1.00 0.00 C ATOM 177 O GLY A 12 -15.279 -3.681 9.248 1.00 0.00 O ATOM 0 H GLY A 12 -16.137 -5.183 5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.683 -2.835 6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.368 -3.244 6.905 1.00 0.00 H new ATOM 181 N GLU A 13 -14.428 -5.473 8.172 1.00 0.00 N ATOM 182 CA GLU A 13 -13.953 -6.134 9.390 1.00 0.00 C ATOM 183 C GLU A 13 -12.424 -6.210 9.396 1.00 0.00 C ATOM 184 O GLU A 13 -11.795 -6.225 10.457 1.00 0.00 O ATOM 185 CB GLU A 13 -14.552 -7.547 9.514 1.00 0.00 C ATOM 186 CG GLU A 13 -14.206 -8.462 8.345 1.00 0.00 C ATOM 187 CD GLU A 13 -14.717 -9.884 8.512 1.00 0.00 C ATOM 188 OE1 GLU A 13 -15.942 -10.100 8.418 1.00 0.00 O ATOM 189 OE2 GLU A 13 -13.887 -10.796 8.721 1.00 0.00 O ATOM 0 H GLU A 13 -14.274 -6.009 7.318 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.280 -5.543 10.245 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.197 -8.003 10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.636 -7.467 9.593 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.622 -8.041 7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.123 -8.486 8.222 1.00 0.00 H new ATOM 196 N SER A 14 -11.831 -6.255 8.202 1.00 0.00 N ATOM 197 CA SER A 14 -10.385 -6.393 8.068 1.00 0.00 C ATOM 198 C SER A 14 -9.886 -5.770 6.766 1.00 0.00 C ATOM 199 O SER A 14 -10.259 -6.211 5.675 1.00 0.00 O ATOM 200 CB SER A 14 -9.995 -7.877 8.109 1.00 0.00 C ATOM 201 OG SER A 14 -10.419 -8.488 9.314 1.00 0.00 O ATOM 0 H SER A 14 -12.332 -6.198 7.315 1.00 0.00 H new ATOM 0 HA SER A 14 -9.919 -5.866 8.901 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.440 -8.396 7.260 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.914 -7.974 8.011 1.00 0.00 H new ATOM 0 HG SER A 14 -10.158 -9.433 9.311 1.00 0.00 H new ATOM 207 N PHE A 15 -9.042 -4.746 6.889 1.00 0.00 N ATOM 208 CA PHE A 15 -8.353 -4.158 5.737 1.00 0.00 C ATOM 209 C PHE A 15 -7.566 -5.253 5.019 1.00 0.00 C ATOM 210 O PHE A 15 -7.477 -5.276 3.793 1.00 0.00 O ATOM 211 CB PHE A 15 -7.408 -3.033 6.200 1.00 0.00 C ATOM 212 CG PHE A 15 -6.798 -2.211 5.081 1.00 0.00 C ATOM 213 CD1 PHE A 15 -5.824 -2.745 4.246 1.00 0.00 C ATOM 214 CD2 PHE A 15 -7.196 -0.897 4.872 1.00 0.00 C ATOM 215 CE1 PHE A 15 -5.265 -1.989 3.232 1.00 0.00 C ATOM 216 CE2 PHE A 15 -6.638 -0.138 3.860 1.00 0.00 C ATOM 217 CZ PHE A 15 -5.672 -0.685 3.040 1.00 0.00 C ATOM 0 H PHE A 15 -8.817 -4.303 7.780 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.084 -3.728 5.052 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.959 -2.366 6.863 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.603 -3.474 6.788 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -5.499 -3.765 4.391 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.952 -0.462 5.509 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.510 -2.419 2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.958 0.883 3.711 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.235 -0.093 2.249 1.00 0.00 H new ATOM 227 N ASP A 16 -7.010 -6.163 5.816 1.00 0.00 N ATOM 228 CA ASP A 16 -6.296 -7.333 5.305 1.00 0.00 C ATOM 229 C ASP A 16 -7.155 -8.097 4.293 1.00 0.00 C ATOM 230 O ASP A 16 -6.685 -8.472 3.219 1.00 0.00 O ATOM 231 CB ASP A 16 -5.914 -8.249 6.475 1.00 0.00 C ATOM 232 CG ASP A 16 -5.247 -9.545 6.036 1.00 0.00 C ATOM 233 OD1 ASP A 16 -4.002 -9.567 5.909 1.00 0.00 O ATOM 234 OD2 ASP A 16 -5.962 -10.553 5.843 1.00 0.00 O ATOM 0 H ASP A 16 -7.041 -6.111 6.834 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.392 -6.999 4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.241 -7.711 7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.810 -8.486 7.048 1.00 0.00 H new ATOM 239 N LYS A 17 -8.425 -8.298 4.639 1.00 0.00 N ATOM 240 CA LYS A 17 -9.361 -9.006 3.771 1.00 0.00 C ATOM 241 C LYS A 17 -9.693 -8.156 2.543 1.00 0.00 C ATOM 242 O LYS A 17 -9.854 -8.679 1.437 1.00 0.00 O ATOM 243 CB LYS A 17 -10.638 -9.372 4.543 1.00 0.00 C ATOM 244 CG LYS A 17 -11.683 -10.086 3.692 1.00 0.00 C ATOM 245 CD LYS A 17 -12.887 -10.554 4.508 1.00 0.00 C ATOM 246 CE LYS A 17 -12.527 -11.652 5.506 1.00 0.00 C ATOM 247 NZ LYS A 17 -13.730 -12.169 6.217 1.00 0.00 N ATOM 0 H LYS A 17 -8.830 -7.978 5.519 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.892 -9.930 3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.372 -10.009 5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.076 -8.463 4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.023 -9.416 2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.223 -10.946 3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.310 -9.705 5.044 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.659 -10.921 3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.034 -12.471 4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.814 -11.263 6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.782 -11.745 7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.585 -11.920 5.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.664 -13.203 6.304 1.00 0.00 H new ATOM 261 N LEU A 18 -9.781 -6.843 2.749 1.00 0.00 N ATOM 262 CA LEU A 18 -10.012 -5.899 1.657 1.00 0.00 C ATOM 263 C LEU A 18 -8.897 -6.017 0.616 1.00 0.00 C ATOM 264 O LEU A 18 -9.154 -6.040 -0.588 1.00 0.00 O ATOM 265 CB LEU A 18 -10.080 -4.464 2.206 1.00 0.00 C ATOM 266 CG LEU A 18 -10.239 -3.351 1.154 1.00 0.00 C ATOM 267 CD1 LEU A 18 -11.550 -3.508 0.389 1.00 0.00 C ATOM 268 CD2 LEU A 18 -10.152 -1.972 1.807 1.00 0.00 C ATOM 0 H LEU A 18 -9.695 -6.407 3.667 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.963 -6.136 1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.916 -4.401 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.172 -4.270 2.778 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.420 -3.441 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.639 -2.710 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.562 -4.473 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.387 -3.453 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.267 -1.201 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.944 -1.870 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.183 -1.860 2.293 1.00 0.00 H new ATOM 280 N LEU A 19 -7.663 -6.113 1.102 1.00 0.00 N ATOM 281 CA LEU A 19 -6.489 -6.232 0.241 1.00 0.00 C ATOM 282 C LEU A 19 -6.407 -7.635 -0.366 1.00 0.00 C ATOM 283 O LEU A 19 -5.978 -7.806 -1.509 1.00 0.00 O ATOM 284 CB LEU A 19 -5.218 -5.925 1.050 1.00 0.00 C ATOM 285 CG LEU A 19 -3.903 -5.923 0.250 1.00 0.00 C ATOM 286 CD1 LEU A 19 -3.931 -4.855 -0.842 1.00 0.00 C ATOM 287 CD2 LEU A 19 -2.709 -5.714 1.180 1.00 0.00 C ATOM 0 H LEU A 19 -7.448 -6.111 2.099 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.576 -5.513 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.336 -4.950 1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.133 -6.659 1.852 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.797 -6.895 -0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.991 -4.874 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.756 -5.055 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.066 -3.873 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.788 -5.716 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.811 -4.758 1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.674 -6.519 1.914 1.00 0.00 H new ATOM 299 N SER A 20 -6.832 -8.633 0.411 1.00 0.00 N ATOM 300 CA SER A 20 -6.831 -10.025 -0.039 1.00 0.00 C ATOM 301 C SER A 20 -7.783 -10.207 -1.222 1.00 0.00 C ATOM 302 O SER A 20 -7.579 -11.082 -2.069 1.00 0.00 O ATOM 303 CB SER A 20 -7.227 -10.955 1.117 1.00 0.00 C ATOM 304 OG SER A 20 -7.158 -12.321 0.732 1.00 0.00 O ATOM 0 H SER A 20 -7.183 -8.501 1.360 1.00 0.00 H new ATOM 0 HA SER A 20 -5.824 -10.284 -0.367 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.568 -10.782 1.967 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.239 -10.719 1.445 1.00 0.00 H new ATOM 0 HG SER A 20 -7.414 -12.888 1.489 1.00 0.00 H new ATOM 310 N HIS A 21 -8.825 -9.382 -1.273 1.00 0.00 N ATOM 311 CA HIS A 21 -9.755 -9.391 -2.394 1.00 0.00 C ATOM 312 C HIS A 21 -9.209 -8.525 -3.520 1.00 0.00 C ATOM 313 O HIS A 21 -9.067 -7.316 -3.357 1.00 0.00 O ATOM 314 CB HIS A 21 -11.144 -8.876 -1.970 1.00 0.00 C ATOM 315 CG HIS A 21 -12.146 -9.959 -1.714 1.00 0.00 C ATOM 316 ND1 HIS A 21 -13.074 -10.359 -2.655 1.00 0.00 N ATOM 317 CD2 HIS A 21 -12.383 -10.712 -0.612 1.00 0.00 C ATOM 318 CE1 HIS A 21 -13.838 -11.302 -2.141 1.00 0.00 C ATOM 319 NE2 HIS A 21 -13.437 -11.537 -0.905 1.00 0.00 N ATOM 0 H HIS A 21 -9.045 -8.698 -0.549 1.00 0.00 H new ATOM 0 HA HIS A 21 -9.863 -10.419 -2.739 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -11.037 -8.275 -1.067 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -11.528 -8.217 -2.748 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -13.155 -9.984 -3.600 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -11.842 -10.670 0.322 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -14.654 -11.798 -2.645 1.00 0.00 H new ATOM 328 N ARG A 22 -8.906 -9.144 -4.656 1.00 0.00 N ATOM 329 CA ARG A 22 -8.447 -8.407 -5.831 1.00 0.00 C ATOM 330 C ARG A 22 -9.485 -7.345 -6.206 1.00 0.00 C ATOM 331 O ARG A 22 -9.147 -6.274 -6.714 1.00 0.00 O ATOM 332 CB ARG A 22 -8.227 -9.369 -7.005 1.00 0.00 C ATOM 333 CG ARG A 22 -7.603 -8.723 -8.244 1.00 0.00 C ATOM 334 CD ARG A 22 -8.203 -9.272 -9.538 1.00 0.00 C ATOM 335 NE ARG A 22 -9.558 -8.758 -9.764 1.00 0.00 N ATOM 336 CZ ARG A 22 -10.672 -9.308 -9.273 1.00 0.00 C ATOM 337 NH1 ARG A 22 -10.627 -10.471 -8.627 1.00 0.00 N ATOM 338 NH2 ARG A 22 -11.833 -8.702 -9.458 1.00 0.00 N ATOM 0 H ARG A 22 -8.969 -10.153 -4.789 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.500 -7.918 -5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.585 -10.186 -6.674 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.185 -9.809 -7.283 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.752 -7.644 -8.204 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.527 -8.897 -8.241 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.565 -9.001 -10.379 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.228 -10.361 -9.495 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.657 -7.920 -10.337 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.736 -10.951 -8.503 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.484 -10.882 -8.256 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.873 -7.822 -9.972 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.689 -9.115 -9.087 1.00 0.00 H new ATOM 352 N ASP A 23 -10.753 -7.664 -5.934 1.00 0.00 N ATOM 353 CA ASP A 23 -11.862 -6.732 -6.157 1.00 0.00 C ATOM 354 C ASP A 23 -11.697 -5.521 -5.245 1.00 0.00 C ATOM 355 O ASP A 23 -11.815 -4.372 -5.677 1.00 0.00 O ATOM 356 CB ASP A 23 -13.215 -7.410 -5.861 1.00 0.00 C ATOM 357 CG ASP A 23 -13.275 -8.854 -6.332 1.00 0.00 C ATOM 358 OD1 ASP A 23 -13.663 -9.104 -7.496 1.00 0.00 O ATOM 359 OD2 ASP A 23 -12.916 -9.749 -5.535 1.00 0.00 O ATOM 0 H ASP A 23 -11.039 -8.567 -5.556 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.848 -6.420 -7.201 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.404 -7.376 -4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.012 -6.844 -6.343 1.00 0.00 H new ATOM 364 N GLY A 24 -11.407 -5.804 -3.975 1.00 0.00 N ATOM 365 CA GLY A 24 -11.205 -4.761 -2.988 1.00 0.00 C ATOM 366 C GLY A 24 -10.015 -3.893 -3.329 1.00 0.00 C ATOM 367 O GLY A 24 -10.084 -2.670 -3.243 1.00 0.00 O ATOM 0 H GLY A 24 -11.308 -6.752 -3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.100 -4.143 -2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.058 -5.212 -2.007 1.00 0.00 H new ATOM 371 N LEU A 25 -8.925 -4.546 -3.719 1.00 0.00 N ATOM 372 CA LEU A 25 -7.727 -3.866 -4.193 1.00 0.00 C ATOM 373 C LEU A 25 -8.077 -2.880 -5.303 1.00 0.00 C ATOM 374 O LEU A 25 -7.812 -1.684 -5.198 1.00 0.00 O ATOM 375 CB LEU A 25 -6.725 -4.897 -4.735 1.00 0.00 C ATOM 376 CG LEU A 25 -5.501 -4.313 -5.468 1.00 0.00 C ATOM 377 CD1 LEU A 25 -4.450 -3.818 -4.480 1.00 0.00 C ATOM 378 CD2 LEU A 25 -4.919 -5.335 -6.441 1.00 0.00 C ATOM 0 H LEU A 25 -8.848 -5.563 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.285 -3.323 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.372 -5.506 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.251 -5.564 -5.418 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.831 -3.450 -6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.599 -3.412 -5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.881 -3.040 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.118 -4.648 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.056 -4.904 -6.948 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.610 -6.225 -5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.675 -5.607 -7.178 1.00 0.00 H new ATOM 390 N GLU A 26 -8.691 -3.407 -6.356 1.00 0.00 N ATOM 391 CA GLU A 26 -9.014 -2.637 -7.551 1.00 0.00 C ATOM 392 C GLU A 26 -9.917 -1.445 -7.215 1.00 0.00 C ATOM 393 O GLU A 26 -9.743 -0.344 -7.753 1.00 0.00 O ATOM 394 CB GLU A 26 -9.677 -3.564 -8.581 1.00 0.00 C ATOM 395 CG GLU A 26 -10.061 -2.890 -9.897 1.00 0.00 C ATOM 396 CD GLU A 26 -8.871 -2.284 -10.626 1.00 0.00 C ATOM 397 OE1 GLU A 26 -7.921 -3.028 -10.943 1.00 0.00 O ATOM 398 OE2 GLU A 26 -8.887 -1.065 -10.904 1.00 0.00 O ATOM 0 H GLU A 26 -8.980 -4.384 -6.405 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.096 -2.230 -7.974 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.998 -4.389 -8.796 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.573 -3.997 -8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.543 -3.621 -10.546 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.794 -2.108 -9.698 1.00 0.00 H new ATOM 405 N ALA A 27 -10.868 -1.662 -6.312 1.00 0.00 N ATOM 406 CA ALA A 27 -11.780 -0.604 -5.889 1.00 0.00 C ATOM 407 C ALA A 27 -11.056 0.430 -5.025 1.00 0.00 C ATOM 408 O ALA A 27 -11.190 1.637 -5.233 1.00 0.00 O ATOM 409 CB ALA A 27 -12.966 -1.197 -5.133 1.00 0.00 C ATOM 0 H ALA A 27 -11.028 -2.562 -5.858 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.152 -0.098 -6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.638 -0.396 -4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.502 -1.890 -5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.607 -1.729 -4.252 1.00 0.00 H new ATOM 415 N PHE A 28 -10.263 -0.060 -4.077 1.00 0.00 N ATOM 416 CA PHE A 28 -9.591 0.797 -3.103 1.00 0.00 C ATOM 417 C PHE A 28 -8.440 1.570 -3.747 1.00 0.00 C ATOM 418 O PHE A 28 -8.141 2.695 -3.345 1.00 0.00 O ATOM 419 CB PHE A 28 -9.076 -0.042 -1.922 1.00 0.00 C ATOM 420 CG PHE A 28 -8.477 0.776 -0.802 1.00 0.00 C ATOM 421 CD1 PHE A 28 -9.289 1.522 0.039 1.00 0.00 C ATOM 422 CD2 PHE A 28 -7.105 0.796 -0.589 1.00 0.00 C ATOM 423 CE1 PHE A 28 -8.748 2.272 1.067 1.00 0.00 C ATOM 424 CE2 PHE A 28 -6.558 1.545 0.437 1.00 0.00 C ATOM 425 CZ PHE A 28 -7.381 2.284 1.265 1.00 0.00 C ATOM 0 H PHE A 28 -10.068 -1.055 -3.962 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.317 1.521 -2.733 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -9.900 -0.635 -1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.326 -0.743 -2.288 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.359 1.517 -0.111 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.457 0.220 -1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.393 2.848 1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.489 1.552 0.591 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.956 2.870 2.066 1.00 0.00 H new ATOM 435 N THR A 29 -7.817 0.984 -4.768 1.00 0.00 N ATOM 436 CA THR A 29 -6.675 1.615 -5.421 1.00 0.00 C ATOM 437 C THR A 29 -7.192 2.732 -6.312 1.00 0.00 C ATOM 438 O THR A 29 -6.620 3.816 -6.374 1.00 0.00 O ATOM 439 CB THR A 29 -5.814 0.606 -6.239 1.00 0.00 C ATOM 440 OG1 THR A 29 -4.583 1.221 -6.657 1.00 0.00 O ATOM 441 CG2 THR A 29 -6.554 0.090 -7.469 1.00 0.00 C ATOM 0 H THR A 29 -8.082 0.080 -5.158 1.00 0.00 H new ATOM 0 HA THR A 29 -6.014 2.015 -4.652 1.00 0.00 H new ATOM 0 HB THR A 29 -5.606 -0.239 -5.583 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.985 0.538 -7.027 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.917 -0.610 -8.010 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.468 -0.416 -7.158 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.807 0.927 -8.120 1.00 0.00 H new ATOM 449 N ARG A 30 -8.318 2.468 -6.964 1.00 0.00 N ATOM 450 CA ARG A 30 -9.028 3.485 -7.715 1.00 0.00 C ATOM 451 C ARG A 30 -9.435 4.629 -6.786 1.00 0.00 C ATOM 452 O ARG A 30 -9.353 5.807 -7.149 1.00 0.00 O ATOM 453 CB ARG A 30 -10.266 2.869 -8.380 1.00 0.00 C ATOM 454 CG ARG A 30 -11.302 3.895 -8.805 1.00 0.00 C ATOM 455 CD ARG A 30 -12.514 3.254 -9.471 1.00 0.00 C ATOM 456 NE ARG A 30 -13.473 4.258 -9.934 1.00 0.00 N ATOM 457 CZ ARG A 30 -14.789 4.064 -10.028 1.00 0.00 C ATOM 458 NH1 ARG A 30 -15.325 2.887 -9.720 1.00 0.00 N ATOM 459 NH2 ARG A 30 -15.567 5.047 -10.449 1.00 0.00 N ATOM 0 H ARG A 30 -8.759 1.548 -6.985 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.374 3.883 -8.491 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.952 2.298 -9.254 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.727 2.165 -7.688 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.627 4.462 -7.933 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.845 4.605 -9.494 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.187 2.647 -10.315 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.003 2.582 -8.766 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.109 5.172 -10.204 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.728 2.121 -9.408 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.333 2.750 -9.796 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.160 5.948 -10.700 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.574 4.904 -10.523 1.00 0.00 H new ATOM 473 N PHE A 31 -9.853 4.265 -5.576 1.00 0.00 N ATOM 474 CA PHE A 31 -10.305 5.236 -4.589 1.00 0.00 C ATOM 475 C PHE A 31 -9.171 6.191 -4.206 1.00 0.00 C ATOM 476 O PHE A 31 -9.323 7.409 -4.293 1.00 0.00 O ATOM 477 CB PHE A 31 -10.849 4.517 -3.347 1.00 0.00 C ATOM 478 CG PHE A 31 -11.494 5.442 -2.346 1.00 0.00 C ATOM 479 CD1 PHE A 31 -12.734 6.010 -2.608 1.00 0.00 C ATOM 480 CD2 PHE A 31 -10.864 5.748 -1.147 1.00 0.00 C ATOM 481 CE1 PHE A 31 -13.330 6.861 -1.700 1.00 0.00 C ATOM 482 CE2 PHE A 31 -11.457 6.600 -0.235 1.00 0.00 C ATOM 483 CZ PHE A 31 -12.691 7.155 -0.513 1.00 0.00 C ATOM 0 H PHE A 31 -9.887 3.297 -5.256 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.109 5.826 -5.029 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.578 3.770 -3.661 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.033 3.982 -2.861 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -13.239 5.782 -3.535 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.900 5.315 -0.925 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -14.294 7.296 -1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.957 6.832 0.694 1.00 0.00 H new ATOM 0 HZ PHE A 31 -13.156 7.820 0.200 1.00 0.00 H new ATOM 493 N LEU A 32 -8.029 5.640 -3.799 1.00 0.00 N ATOM 494 CA LEU A 32 -6.888 6.467 -3.400 1.00 0.00 C ATOM 495 C LEU A 32 -6.204 7.103 -4.618 1.00 0.00 C ATOM 496 O LEU A 32 -5.431 8.056 -4.482 1.00 0.00 O ATOM 497 CB LEU A 32 -5.890 5.665 -2.534 1.00 0.00 C ATOM 498 CG LEU A 32 -5.451 4.287 -3.069 1.00 0.00 C ATOM 499 CD1 LEU A 32 -4.520 4.421 -4.269 1.00 0.00 C ATOM 500 CD2 LEU A 32 -4.782 3.474 -1.963 1.00 0.00 C ATOM 0 H LEU A 32 -7.868 4.635 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.268 7.282 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.997 6.274 -2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.335 5.520 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.346 3.761 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.232 3.430 -4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.033 4.953 -5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.629 4.976 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.478 2.504 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.905 4.008 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.485 3.328 -1.143 1.00 0.00 H new ATOM 512 N LYS A 33 -6.500 6.575 -5.808 1.00 0.00 N ATOM 513 CA LYS A 33 -5.989 7.143 -7.056 1.00 0.00 C ATOM 514 C LYS A 33 -6.571 8.542 -7.274 1.00 0.00 C ATOM 515 O LYS A 33 -5.838 9.503 -7.519 1.00 0.00 O ATOM 516 CB LYS A 33 -6.343 6.238 -8.261 1.00 0.00 C ATOM 517 CG LYS A 33 -5.139 5.684 -9.031 1.00 0.00 C ATOM 518 CD LYS A 33 -4.409 4.584 -8.259 1.00 0.00 C ATOM 519 CE LYS A 33 -3.283 3.963 -9.082 1.00 0.00 C ATOM 520 NZ LYS A 33 -2.624 2.831 -8.374 1.00 0.00 N ATOM 0 H LYS A 33 -7.092 5.754 -5.933 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.904 7.210 -6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.943 5.401 -7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.967 6.806 -8.951 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.475 5.289 -9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.444 6.496 -9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.000 4.998 -7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.120 3.809 -7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.683 3.611 -10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.540 4.727 -9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.026 2.304 -9.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.036 3.201 -7.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.349 2.196 -7.984 1.00 0.00 H new ATOM 534 N THR A 34 -7.896 8.651 -7.159 1.00 0.00 N ATOM 535 CA THR A 34 -8.601 9.897 -7.461 1.00 0.00 C ATOM 536 C THR A 34 -8.285 10.995 -6.438 1.00 0.00 C ATOM 537 O THR A 34 -8.505 12.180 -6.702 1.00 0.00 O ATOM 538 CB THR A 34 -10.136 9.678 -7.546 1.00 0.00 C ATOM 539 OG1 THR A 34 -10.786 10.876 -7.993 1.00 0.00 O ATOM 540 CG2 THR A 34 -10.720 9.259 -6.202 1.00 0.00 C ATOM 0 H THR A 34 -8.503 7.889 -6.858 1.00 0.00 H new ATOM 0 HA THR A 34 -8.243 10.227 -8.436 1.00 0.00 H new ATOM 0 HB THR A 34 -10.310 8.875 -8.262 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.229 11.652 -7.774 1.00 0.00 H new ATOM 0 HG21 THR A 34 -11.796 9.115 -6.302 1.00 0.00 H new ATOM 0 HG22 THR A 34 -10.258 8.326 -5.879 1.00 0.00 H new ATOM 0 HG23 THR A 34 -10.525 10.036 -5.462 1.00 0.00 H new ATOM 548 N GLU A 35 -7.762 10.611 -5.272 1.00 0.00 N ATOM 549 CA GLU A 35 -7.367 11.592 -4.260 1.00 0.00 C ATOM 550 C GLU A 35 -5.865 11.872 -4.338 1.00 0.00 C ATOM 551 O GLU A 35 -5.304 12.547 -3.472 1.00 0.00 O ATOM 552 CB GLU A 35 -7.768 11.130 -2.850 1.00 0.00 C ATOM 553 CG GLU A 35 -7.087 9.850 -2.383 1.00 0.00 C ATOM 554 CD GLU A 35 -7.485 9.459 -0.966 1.00 0.00 C ATOM 555 OE1 GLU A 35 -6.849 9.951 -0.011 1.00 0.00 O ATOM 556 OE2 GLU A 35 -8.445 8.675 -0.803 1.00 0.00 O ATOM 0 H GLU A 35 -7.603 9.639 -5.007 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.899 12.521 -4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.539 11.927 -2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.848 10.982 -2.824 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.341 9.038 -3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.006 9.980 -2.430 1.00 0.00 H new ATOM 563 N PHE A 36 -5.226 11.345 -5.388 1.00 0.00 N ATOM 564 CA PHE A 36 -3.817 11.624 -5.682 1.00 0.00 C ATOM 565 C PHE A 36 -2.908 11.234 -4.517 1.00 0.00 C ATOM 566 O PHE A 36 -1.936 11.925 -4.210 1.00 0.00 O ATOM 567 CB PHE A 36 -3.635 13.106 -6.045 1.00 0.00 C ATOM 568 CG PHE A 36 -4.367 13.509 -7.304 1.00 0.00 C ATOM 569 CD1 PHE A 36 -5.706 13.873 -7.262 1.00 0.00 C ATOM 570 CD2 PHE A 36 -3.717 13.514 -8.531 1.00 0.00 C ATOM 571 CE1 PHE A 36 -6.378 14.236 -8.415 1.00 0.00 C ATOM 572 CE2 PHE A 36 -4.386 13.876 -9.684 1.00 0.00 C ATOM 573 CZ PHE A 36 -5.715 14.237 -9.626 1.00 0.00 C ATOM 0 H PHE A 36 -5.670 10.715 -6.056 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.526 11.014 -6.537 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.986 13.721 -5.217 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.572 13.314 -6.169 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.229 13.873 -6.317 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.676 13.231 -8.584 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.419 14.518 -8.368 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.868 13.876 -10.631 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.238 14.521 -10.528 1.00 0.00 H new ATOM 583 N SER A 37 -3.221 10.106 -3.891 1.00 0.00 N ATOM 584 CA SER A 37 -2.415 9.569 -2.799 1.00 0.00 C ATOM 585 C SER A 37 -2.005 8.131 -3.132 1.00 0.00 C ATOM 586 O SER A 37 -1.853 7.285 -2.249 1.00 0.00 O ATOM 587 CB SER A 37 -3.219 9.623 -1.493 1.00 0.00 C ATOM 588 OG SER A 37 -3.668 10.947 -1.234 1.00 0.00 O ATOM 0 H SER A 37 -4.037 9.539 -4.124 1.00 0.00 H new ATOM 0 HA SER A 37 -1.513 10.167 -2.671 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.074 8.950 -1.558 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.601 9.275 -0.665 1.00 0.00 H new ATOM 0 HG SER A 37 -4.180 10.961 -0.398 1.00 0.00 H new ATOM 594 N GLU A 38 -1.774 7.893 -4.422 1.00 0.00 N ATOM 595 CA GLU A 38 -1.582 6.541 -4.947 1.00 0.00 C ATOM 596 C GLU A 38 -0.146 6.039 -4.785 1.00 0.00 C ATOM 597 O GLU A 38 0.070 4.841 -4.601 1.00 0.00 O ATOM 598 CB GLU A 38 -2.035 6.457 -6.423 1.00 0.00 C ATOM 599 CG GLU A 38 -1.914 7.757 -7.217 1.00 0.00 C ATOM 600 CD GLU A 38 -0.497 8.307 -7.278 1.00 0.00 C ATOM 601 OE1 GLU A 38 0.288 7.855 -8.133 1.00 0.00 O ATOM 602 OE2 GLU A 38 -0.171 9.207 -6.482 1.00 0.00 O ATOM 0 H GLU A 38 -1.715 8.626 -5.129 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.210 5.880 -4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.446 5.688 -6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.074 6.130 -6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.272 7.587 -8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.567 8.507 -6.770 1.00 0.00 H new ATOM 609 N GLU A 39 0.832 6.942 -4.819 1.00 0.00 N ATOM 610 CA GLU A 39 2.238 6.531 -4.735 1.00 0.00 C ATOM 611 C GLU A 39 2.500 5.741 -3.451 1.00 0.00 C ATOM 612 O GLU A 39 3.451 4.965 -3.374 1.00 0.00 O ATOM 613 CB GLU A 39 3.195 7.734 -4.820 1.00 0.00 C ATOM 614 CG GLU A 39 3.078 8.737 -3.674 1.00 0.00 C ATOM 615 CD GLU A 39 1.841 9.611 -3.771 1.00 0.00 C ATOM 616 OE1 GLU A 39 1.848 10.564 -4.579 1.00 0.00 O ATOM 617 OE2 GLU A 39 0.862 9.345 -3.050 1.00 0.00 O ATOM 0 H GLU A 39 0.684 7.948 -4.903 1.00 0.00 H new ATOM 0 HA GLU A 39 2.433 5.887 -5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.219 7.362 -4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.014 8.256 -5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.061 8.197 -2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.964 9.372 -3.663 1.00 0.00 H new ATOM 624 N ASN A 40 1.637 5.938 -2.458 1.00 0.00 N ATOM 625 CA ASN A 40 1.745 5.240 -1.179 1.00 0.00 C ATOM 626 C ASN A 40 1.491 3.737 -1.338 1.00 0.00 C ATOM 627 O ASN A 40 2.289 2.907 -0.881 1.00 0.00 O ATOM 628 CB ASN A 40 0.764 5.837 -0.156 1.00 0.00 C ATOM 629 CG ASN A 40 1.072 7.289 0.171 1.00 0.00 C ATOM 630 OD1 ASN A 40 1.918 7.582 1.016 1.00 0.00 O ATOM 631 ND2 ASN A 40 0.380 8.207 -0.482 1.00 0.00 N ATOM 0 H ASN A 40 0.848 6.582 -2.516 1.00 0.00 H new ATOM 0 HA ASN A 40 2.764 5.373 -0.815 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.251 5.764 -0.546 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.797 5.247 0.760 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.539 9.196 -0.292 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.313 7.926 -1.176 1.00 0.00 H new ATOM 638 N ILE A 41 0.387 3.380 -1.994 1.00 0.00 N ATOM 639 CA ILE A 41 0.043 1.971 -2.174 1.00 0.00 C ATOM 640 C ILE A 41 1.026 1.307 -3.137 1.00 0.00 C ATOM 641 O ILE A 41 1.470 0.178 -2.903 1.00 0.00 O ATOM 642 CB ILE A 41 -1.421 1.776 -2.664 1.00 0.00 C ATOM 643 CG1 ILE A 41 -1.780 0.278 -2.728 1.00 0.00 C ATOM 644 CG2 ILE A 41 -1.647 2.443 -4.017 1.00 0.00 C ATOM 645 CD1 ILE A 41 -3.215 0.005 -3.144 1.00 0.00 C ATOM 0 H ILE A 41 -0.276 4.037 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 41 0.117 1.491 -1.198 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.080 2.258 -1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.109 -0.217 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.604 -0.170 -1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.679 2.288 -4.331 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.449 3.512 -3.933 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.974 2.006 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.389 -1.071 -3.165 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.895 0.469 -2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.392 0.421 -4.136 1.00 0.00 H new ATOM 657 N GLU A 42 1.388 2.028 -4.202 1.00 0.00 N ATOM 658 CA GLU A 42 2.400 1.554 -5.144 1.00 0.00 C ATOM 659 C GLU A 42 3.745 1.373 -4.436 1.00 0.00 C ATOM 660 O GLU A 42 4.537 0.501 -4.798 1.00 0.00 O ATOM 661 CB GLU A 42 2.554 2.520 -6.337 1.00 0.00 C ATOM 662 CG GLU A 42 1.612 2.235 -7.511 1.00 0.00 C ATOM 663 CD GLU A 42 0.144 2.473 -7.193 1.00 0.00 C ATOM 664 OE1 GLU A 42 -0.296 3.642 -7.240 1.00 0.00 O ATOM 665 OE2 GLU A 42 -0.587 1.492 -6.935 1.00 0.00 O ATOM 0 H GLU A 42 0.995 2.941 -4.431 1.00 0.00 H new ATOM 0 HA GLU A 42 2.069 0.590 -5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.382 3.538 -5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.583 2.475 -6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.898 2.863 -8.355 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.742 1.200 -7.826 1.00 0.00 H new ATOM 672 N PHE A 43 3.985 2.194 -3.418 1.00 0.00 N ATOM 673 CA PHE A 43 5.219 2.134 -2.644 1.00 0.00 C ATOM 674 C PHE A 43 5.397 0.770 -1.985 1.00 0.00 C ATOM 675 O PHE A 43 6.306 0.014 -2.339 1.00 0.00 O ATOM 676 CB PHE A 43 5.229 3.241 -1.581 1.00 0.00 C ATOM 677 CG PHE A 43 6.372 3.155 -0.596 1.00 0.00 C ATOM 678 CD1 PHE A 43 7.636 3.600 -0.941 1.00 0.00 C ATOM 679 CD2 PHE A 43 6.173 2.641 0.678 1.00 0.00 C ATOM 680 CE1 PHE A 43 8.679 3.536 -0.038 1.00 0.00 C ATOM 681 CE2 PHE A 43 7.212 2.578 1.584 1.00 0.00 C ATOM 682 CZ PHE A 43 8.466 3.026 1.225 1.00 0.00 C ATOM 0 H PHE A 43 3.334 2.915 -3.108 1.00 0.00 H new ATOM 0 HA PHE A 43 6.053 2.286 -3.329 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.270 4.208 -2.082 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.289 3.207 -1.031 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.809 4.002 -1.928 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.194 2.286 0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.661 3.885 -0.321 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.043 2.178 2.573 1.00 0.00 H new ATOM 0 HZ PHE A 43 9.280 2.977 1.933 1.00 0.00 H new ATOM 692 N TRP A 44 4.524 0.441 -1.032 1.00 0.00 N ATOM 693 CA TRP A 44 4.729 -0.764 -0.233 1.00 0.00 C ATOM 694 C TRP A 44 4.388 -2.039 -1.000 1.00 0.00 C ATOM 695 O TRP A 44 4.830 -3.125 -0.617 1.00 0.00 O ATOM 696 CB TRP A 44 3.990 -0.701 1.114 1.00 0.00 C ATOM 697 CG TRP A 44 2.513 -0.447 1.049 1.00 0.00 C ATOM 698 CD1 TRP A 44 1.885 0.734 1.305 1.00 0.00 C ATOM 699 CD2 TRP A 44 1.477 -1.393 0.745 1.00 0.00 C ATOM 700 NE1 TRP A 44 0.531 0.587 1.184 1.00 0.00 N ATOM 701 CE2 TRP A 44 0.251 -0.707 0.832 1.00 0.00 C ATOM 702 CE3 TRP A 44 1.465 -2.748 0.403 1.00 0.00 C ATOM 703 CZ2 TRP A 44 -0.970 -1.329 0.592 1.00 0.00 C ATOM 704 CZ3 TRP A 44 0.251 -3.365 0.165 1.00 0.00 C ATOM 705 CH2 TRP A 44 -0.952 -2.654 0.260 1.00 0.00 C ATOM 0 H TRP A 44 3.688 0.978 -0.799 1.00 0.00 H new ATOM 0 HA TRP A 44 5.796 -0.803 -0.014 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.153 -1.643 1.638 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.446 0.083 1.718 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.385 1.655 1.566 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.160 1.323 1.332 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.388 -3.303 0.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.899 -0.784 0.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.230 -4.412 -0.098 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.884 -3.164 0.067 1.00 0.00 H new ATOM 716 N ILE A 45 3.623 -1.931 -2.086 1.00 0.00 N ATOM 717 CA ILE A 45 3.380 -3.097 -2.932 1.00 0.00 C ATOM 718 C ILE A 45 4.649 -3.411 -3.727 1.00 0.00 C ATOM 719 O ILE A 45 4.963 -4.573 -3.992 1.00 0.00 O ATOM 720 CB ILE A 45 2.170 -2.914 -3.893 1.00 0.00 C ATOM 721 CG1 ILE A 45 1.754 -4.269 -4.497 1.00 0.00 C ATOM 722 CG2 ILE A 45 2.489 -1.915 -5.002 1.00 0.00 C ATOM 723 CD1 ILE A 45 0.543 -4.195 -5.407 1.00 0.00 C ATOM 0 H ILE A 45 3.171 -1.070 -2.395 1.00 0.00 H new ATOM 0 HA ILE A 45 3.124 -3.930 -2.277 1.00 0.00 H new ATOM 0 HB ILE A 45 1.338 -2.516 -3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.594 -4.677 -5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.544 -4.967 -3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.624 -1.809 -5.656 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.731 -0.948 -4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.340 -2.274 -5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.315 -5.189 -5.791 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.312 -3.818 -4.845 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.754 -3.524 -6.240 1.00 0.00 H new ATOM 735 N ALA A 46 5.398 -2.358 -4.073 1.00 0.00 N ATOM 736 CA ALA A 46 6.695 -2.511 -4.726 1.00 0.00 C ATOM 737 C ALA A 46 7.705 -3.096 -3.744 1.00 0.00 C ATOM 738 O ALA A 46 8.663 -3.764 -4.142 1.00 0.00 O ATOM 739 CB ALA A 46 7.184 -1.173 -5.271 1.00 0.00 C ATOM 0 H ALA A 46 5.124 -1.389 -3.909 1.00 0.00 H new ATOM 0 HA ALA A 46 6.587 -3.197 -5.566 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.152 -1.309 -5.754 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.466 -0.792 -5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.284 -0.461 -4.452 1.00 0.00 H new ATOM 745 N CYS A 47 7.480 -2.832 -2.459 1.00 0.00 N ATOM 746 CA CYS A 47 8.293 -3.404 -1.388 1.00 0.00 C ATOM 747 C CYS A 47 8.044 -4.908 -1.283 1.00 0.00 C ATOM 748 O CYS A 47 8.979 -5.698 -1.134 1.00 0.00 O ATOM 749 CB CYS A 47 7.974 -2.715 -0.055 1.00 0.00 C ATOM 750 SG CYS A 47 8.861 -3.388 1.367 1.00 0.00 S ATOM 0 H CYS A 47 6.733 -2.219 -2.132 1.00 0.00 H new ATOM 0 HA CYS A 47 9.345 -3.241 -1.620 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.207 -1.654 -0.144 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.903 -2.791 0.132 1.00 0.00 H new ATOM 0 HG CYS A 47 8.843 -2.524 2.338 1.00 0.00 H new ATOM 756 N GLU A 48 6.776 -5.299 -1.373 1.00 0.00 N ATOM 757 CA GLU A 48 6.408 -6.710 -1.368 1.00 0.00 C ATOM 758 C GLU A 48 6.970 -7.387 -2.625 1.00 0.00 C ATOM 759 O GLU A 48 7.426 -8.531 -2.581 1.00 0.00 O ATOM 760 CB GLU A 48 4.881 -6.858 -1.292 1.00 0.00 C ATOM 761 CG GLU A 48 4.393 -8.288 -1.059 1.00 0.00 C ATOM 762 CD GLU A 48 4.761 -8.825 0.317 1.00 0.00 C ATOM 763 OE1 GLU A 48 4.406 -8.180 1.329 1.00 0.00 O ATOM 764 OE2 GLU A 48 5.377 -9.911 0.399 1.00 0.00 O ATOM 0 H GLU A 48 5.986 -4.658 -1.450 1.00 0.00 H new ATOM 0 HA GLU A 48 6.834 -7.198 -0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.507 -6.224 -0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.446 -6.486 -2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.310 -8.320 -1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.817 -8.940 -1.823 1.00 0.00 H new ATOM 771 N ASP A 49 6.957 -6.653 -3.740 1.00 0.00 N ATOM 772 CA ASP A 49 7.577 -7.118 -4.983 1.00 0.00 C ATOM 773 C ASP A 49 9.090 -7.248 -4.807 1.00 0.00 C ATOM 774 O ASP A 49 9.716 -8.175 -5.327 1.00 0.00 O ATOM 775 CB ASP A 49 7.270 -6.159 -6.142 1.00 0.00 C ATOM 776 CG ASP A 49 8.043 -6.512 -7.409 1.00 0.00 C ATOM 777 OD1 ASP A 49 7.542 -7.322 -8.216 1.00 0.00 O ATOM 778 OD2 ASP A 49 9.168 -5.992 -7.592 1.00 0.00 O ATOM 0 H ASP A 49 6.523 -5.732 -3.808 1.00 0.00 H new ATOM 0 HA ASP A 49 7.159 -8.096 -5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.201 -6.180 -6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.515 -5.140 -5.842 1.00 0.00 H new ATOM 783 N PHE A 50 9.668 -6.311 -4.073 1.00 0.00 N ATOM 784 CA PHE A 50 11.094 -6.328 -3.767 1.00 0.00 C ATOM 785 C PHE A 50 11.483 -7.639 -3.092 1.00 0.00 C ATOM 786 O PHE A 50 12.531 -8.217 -3.387 1.00 0.00 O ATOM 787 CB PHE A 50 11.450 -5.124 -2.874 1.00 0.00 C ATOM 788 CG PHE A 50 12.685 -5.318 -2.028 1.00 0.00 C ATOM 789 CD1 PHE A 50 13.951 -5.235 -2.587 1.00 0.00 C ATOM 790 CD2 PHE A 50 12.572 -5.595 -0.671 1.00 0.00 C ATOM 791 CE1 PHE A 50 15.076 -5.423 -1.809 1.00 0.00 C ATOM 792 CE2 PHE A 50 13.695 -5.784 0.108 1.00 0.00 C ATOM 793 CZ PHE A 50 14.948 -5.699 -0.462 1.00 0.00 C ATOM 0 H PHE A 50 9.166 -5.519 -3.672 1.00 0.00 H new ATOM 0 HA PHE A 50 11.657 -6.252 -4.697 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.592 -4.248 -3.506 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.605 -4.911 -2.219 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.058 -5.021 -3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.593 -5.663 -0.220 1.00 0.00 H new ATOM 0 HE1 PHE A 50 16.057 -5.354 -2.254 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.593 -5.998 1.162 1.00 0.00 H new ATOM 0 HZ PHE A 50 15.829 -5.848 0.145 1.00 0.00 H new ATOM 803 N LYS A 51 10.623 -8.116 -2.203 1.00 0.00 N ATOM 804 CA LYS A 51 10.937 -9.284 -1.391 1.00 0.00 C ATOM 805 C LYS A 51 10.348 -10.578 -1.959 1.00 0.00 C ATOM 806 O LYS A 51 10.594 -11.653 -1.407 1.00 0.00 O ATOM 807 CB LYS A 51 10.442 -9.084 0.039 1.00 0.00 C ATOM 808 CG LYS A 51 8.942 -8.834 0.146 1.00 0.00 C ATOM 809 CD LYS A 51 8.411 -9.127 1.543 1.00 0.00 C ATOM 810 CE LYS A 51 8.239 -10.625 1.790 1.00 0.00 C ATOM 811 NZ LYS A 51 9.502 -11.392 1.619 1.00 0.00 N ATOM 0 H LYS A 51 9.703 -7.713 -2.026 1.00 0.00 H new ATOM 0 HA LYS A 51 12.022 -9.387 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.696 -9.966 0.627 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.973 -8.241 0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.728 -7.797 -0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.418 -9.457 -0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.095 -8.714 2.284 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.453 -8.625 1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.861 -10.780 2.800 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.487 -11.016 1.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.405 -12.326 2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.700 -11.513 0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.286 -10.874 2.065 1.00 0.00 H new ATOM 825 N LYS A 52 9.551 -10.489 -3.028 1.00 0.00 N ATOM 826 CA LYS A 52 9.043 -11.703 -3.676 1.00 0.00 C ATOM 827 C LYS A 52 10.172 -12.354 -4.467 1.00 0.00 C ATOM 828 O LYS A 52 10.198 -13.569 -4.660 1.00 0.00 O ATOM 829 CB LYS A 52 7.839 -11.423 -4.597 1.00 0.00 C ATOM 830 CG LYS A 52 8.194 -10.696 -5.893 1.00 0.00 C ATOM 831 CD LYS A 52 7.052 -10.734 -6.905 1.00 0.00 C ATOM 832 CE LYS A 52 5.789 -10.057 -6.386 1.00 0.00 C ATOM 833 NZ LYS A 52 4.692 -10.098 -7.389 1.00 0.00 N ATOM 0 H LYS A 52 9.249 -9.613 -3.455 1.00 0.00 H new ATOM 0 HA LYS A 52 8.689 -12.377 -2.896 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.358 -12.369 -4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.108 -10.828 -4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.445 -9.659 -5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.082 -11.151 -6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.370 -10.245 -7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.828 -11.771 -7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.463 -10.549 -5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.010 -9.021 -6.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.849 -9.628 -7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.994 -9.607 -8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.464 -11.087 -7.614 1.00 0.00 H new ATOM 847 N SER A 53 11.106 -11.521 -4.918 1.00 0.00 N ATOM 848 CA SER A 53 12.305 -11.990 -5.594 1.00 0.00 C ATOM 849 C SER A 53 13.272 -12.605 -4.578 1.00 0.00 C ATOM 850 O SER A 53 13.277 -12.219 -3.406 1.00 0.00 O ATOM 851 CB SER A 53 12.954 -10.822 -6.356 1.00 0.00 C ATOM 852 OG SER A 53 12.729 -9.584 -5.689 1.00 0.00 O ATOM 0 H SER A 53 11.051 -10.507 -4.824 1.00 0.00 H new ATOM 0 HA SER A 53 12.044 -12.765 -6.315 1.00 0.00 H new ATOM 0 HB2 SER A 53 14.026 -10.997 -6.451 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.548 -10.773 -7.366 1.00 0.00 H new ATOM 0 HG SER A 53 12.895 -9.694 -4.730 1.00 0.00 H new ATOM 858 N LYS A 54 14.071 -13.572 -5.018 1.00 0.00 N ATOM 859 CA LYS A 54 15.006 -14.265 -4.128 1.00 0.00 C ATOM 860 C LYS A 54 16.424 -14.279 -4.699 1.00 0.00 C ATOM 861 O LYS A 54 17.320 -14.911 -4.133 1.00 0.00 O ATOM 862 CB LYS A 54 14.505 -15.695 -3.836 1.00 0.00 C ATOM 863 CG LYS A 54 14.015 -16.478 -5.061 1.00 0.00 C ATOM 864 CD LYS A 54 15.128 -16.776 -6.065 1.00 0.00 C ATOM 865 CE LYS A 54 14.668 -17.744 -7.148 1.00 0.00 C ATOM 866 NZ LYS A 54 14.310 -19.073 -6.583 1.00 0.00 N ATOM 0 H LYS A 54 14.092 -13.896 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 54 15.048 -13.715 -3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 54 15.312 -16.256 -3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.692 -15.637 -3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.570 -17.417 -4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 54 13.228 -15.910 -5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.460 -15.846 -6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.987 -17.197 -5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.806 -17.326 -7.668 1.00 0.00 H new ATOM 0 HE3 LYS A 54 15.459 -17.864 -7.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.315 -19.785 -7.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.003 -19.338 -5.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.362 -19.026 -6.159 1.00 0.00 H new ATOM 880 N GLY A 55 16.614 -13.600 -5.827 1.00 0.00 N ATOM 881 CA GLY A 55 17.939 -13.469 -6.405 1.00 0.00 C ATOM 882 C GLY A 55 18.781 -12.471 -5.627 1.00 0.00 C ATOM 883 O GLY A 55 18.395 -11.308 -5.519 1.00 0.00 O ATOM 0 H GLY A 55 15.872 -13.137 -6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.434 -14.440 -6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 55 17.856 -13.148 -7.443 1.00 0.00 H new ATOM 887 N PRO A 56 19.934 -12.894 -5.070 1.00 0.00 N ATOM 888 CA PRO A 56 20.772 -12.035 -4.218 1.00 0.00 C ATOM 889 C PRO A 56 21.044 -10.663 -4.844 1.00 0.00 C ATOM 890 O PRO A 56 20.632 -9.634 -4.306 1.00 0.00 O ATOM 891 CB PRO A 56 22.070 -12.840 -4.071 1.00 0.00 C ATOM 892 CG PRO A 56 21.646 -14.261 -4.229 1.00 0.00 C ATOM 893 CD PRO A 56 20.515 -14.245 -5.228 1.00 0.00 C ATOM 0 HA PRO A 56 20.288 -11.808 -3.268 1.00 0.00 H new ATOM 0 HB2 PRO A 56 22.801 -12.557 -4.829 1.00 0.00 H new ATOM 0 HB3 PRO A 56 22.535 -12.670 -3.100 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.472 -14.878 -4.583 1.00 0.00 H new ATOM 0 HG3 PRO A 56 21.321 -14.680 -3.277 1.00 0.00 H new ATOM 0 HD2 PRO A 56 20.874 -14.411 -6.244 1.00 0.00 H new ATOM 0 HD3 PRO A 56 19.782 -15.024 -5.017 1.00 0.00 H new ATOM 901 N GLN A 57 21.715 -10.657 -5.995 1.00 0.00 N ATOM 902 CA GLN A 57 22.053 -9.411 -6.686 1.00 0.00 C ATOM 903 C GLN A 57 20.784 -8.646 -7.063 1.00 0.00 C ATOM 904 O GLN A 57 20.754 -7.412 -7.030 1.00 0.00 O ATOM 905 CB GLN A 57 22.906 -9.682 -7.941 1.00 0.00 C ATOM 906 CG GLN A 57 22.179 -10.411 -9.074 1.00 0.00 C ATOM 907 CD GLN A 57 21.757 -11.824 -8.702 1.00 0.00 C ATOM 908 OE1 GLN A 57 20.655 -12.044 -8.203 1.00 0.00 O ATOM 909 NE2 GLN A 57 22.634 -12.786 -8.930 1.00 0.00 N ATOM 0 H GLN A 57 22.036 -11.501 -6.470 1.00 0.00 H new ATOM 0 HA GLN A 57 22.642 -8.800 -6.002 1.00 0.00 H new ATOM 0 HB2 GLN A 57 23.278 -8.731 -8.321 1.00 0.00 H new ATOM 0 HB3 GLN A 57 23.776 -10.271 -7.650 1.00 0.00 H new ATOM 0 HG2 GLN A 57 21.297 -9.838 -9.359 1.00 0.00 H new ATOM 0 HG3 GLN A 57 22.829 -10.451 -9.948 1.00 0.00 H new ATOM 0 HE21 GLN A 57 23.538 -12.564 -9.346 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.406 -13.751 -8.690 1.00 0.00 H new ATOM 918 N GLN A 58 19.735 -9.396 -7.395 1.00 0.00 N ATOM 919 CA GLN A 58 18.454 -8.815 -7.779 1.00 0.00 C ATOM 920 C GLN A 58 17.895 -7.979 -6.629 1.00 0.00 C ATOM 921 O GLN A 58 17.378 -6.880 -6.835 1.00 0.00 O ATOM 922 CB GLN A 58 17.462 -9.927 -8.161 1.00 0.00 C ATOM 923 CG GLN A 58 16.163 -9.419 -8.779 1.00 0.00 C ATOM 924 CD GLN A 58 16.381 -8.732 -10.117 1.00 0.00 C ATOM 925 OE1 GLN A 58 17.301 -9.071 -10.862 1.00 0.00 O ATOM 926 NE2 GLN A 58 15.533 -7.770 -10.440 1.00 0.00 N ATOM 0 H GLN A 58 19.750 -10.416 -7.405 1.00 0.00 H new ATOM 0 HA GLN A 58 18.603 -8.168 -8.644 1.00 0.00 H new ATOM 0 HB2 GLN A 58 17.946 -10.604 -8.865 1.00 0.00 H new ATOM 0 HB3 GLN A 58 17.225 -10.509 -7.270 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.477 -10.255 -8.912 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.686 -8.722 -8.090 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.782 -7.515 -9.798 1.00 0.00 H new ATOM 0 HE22 GLN A 58 15.630 -7.283 -11.331 1.00 0.00 H new ATOM 935 N ILE A 59 18.030 -8.504 -5.414 1.00 0.00 N ATOM 936 CA ILE A 59 17.566 -7.821 -4.212 1.00 0.00 C ATOM 937 C ILE A 59 18.251 -6.460 -4.065 1.00 0.00 C ATOM 938 O ILE A 59 17.610 -5.462 -3.733 1.00 0.00 O ATOM 939 CB ILE A 59 17.827 -8.685 -2.945 1.00 0.00 C ATOM 940 CG1 ILE A 59 17.028 -10.000 -3.012 1.00 0.00 C ATOM 941 CG2 ILE A 59 17.486 -7.918 -1.668 1.00 0.00 C ATOM 942 CD1 ILE A 59 15.526 -9.808 -3.093 1.00 0.00 C ATOM 0 H ILE A 59 18.462 -9.411 -5.236 1.00 0.00 H new ATOM 0 HA ILE A 59 16.492 -7.666 -4.311 1.00 0.00 H new ATOM 0 HB ILE A 59 18.890 -8.923 -2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 59 17.358 -10.569 -3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 59 17.260 -10.599 -2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 59 17.680 -8.550 -0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 59 18.101 -7.020 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 59 16.433 -7.636 -1.683 1.00 0.00 H new ATOM 0 HD11 ILE A 59 15.037 -10.781 -3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 59 15.180 -9.267 -2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 59 15.280 -9.237 -3.989 1.00 0.00 H new ATOM 954 N HIS A 60 19.551 -6.423 -4.349 1.00 0.00 N ATOM 955 CA HIS A 60 20.338 -5.198 -4.192 1.00 0.00 C ATOM 956 C HIS A 60 19.872 -4.107 -5.156 1.00 0.00 C ATOM 957 O HIS A 60 19.607 -2.975 -4.742 1.00 0.00 O ATOM 958 CB HIS A 60 21.836 -5.475 -4.400 1.00 0.00 C ATOM 959 CG HIS A 60 22.452 -6.303 -3.313 1.00 0.00 C ATOM 960 ND1 HIS A 60 23.143 -5.763 -2.251 1.00 0.00 N ATOM 961 CD2 HIS A 60 22.470 -7.640 -3.122 1.00 0.00 C ATOM 962 CE1 HIS A 60 23.555 -6.731 -1.458 1.00 0.00 C ATOM 963 NE2 HIS A 60 23.157 -7.882 -1.961 1.00 0.00 N ATOM 0 H HIS A 60 20.083 -7.225 -4.689 1.00 0.00 H new ATOM 0 HA HIS A 60 20.184 -4.844 -3.173 1.00 0.00 H new ATOM 0 HB2 HIS A 60 21.973 -5.984 -5.354 1.00 0.00 H new ATOM 0 HB3 HIS A 60 22.366 -4.525 -4.466 1.00 0.00 H new ATOM 0 HD2 HIS A 60 22.024 -8.383 -3.767 1.00 0.00 H new ATOM 0 HE1 HIS A 60 24.123 -6.603 -0.549 1.00 0.00 H new ATOM 0 HE2 HIS A 60 23.331 -8.801 -1.554 1.00 0.00 H new ATOM 972 N LEU A 61 19.758 -4.453 -6.437 1.00 0.00 N ATOM 973 CA LEU A 61 19.419 -3.470 -7.466 1.00 0.00 C ATOM 974 C LEU A 61 17.964 -3.010 -7.344 1.00 0.00 C ATOM 975 O LEU A 61 17.642 -1.861 -7.656 1.00 0.00 O ATOM 976 CB LEU A 61 19.739 -4.019 -8.875 1.00 0.00 C ATOM 977 CG LEU A 61 19.078 -5.359 -9.268 1.00 0.00 C ATOM 978 CD1 LEU A 61 17.652 -5.148 -9.770 1.00 0.00 C ATOM 979 CD2 LEU A 61 19.917 -6.087 -10.321 1.00 0.00 C ATOM 0 H LEU A 61 19.894 -5.401 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 61 20.040 -2.588 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 61 19.444 -3.267 -9.607 1.00 0.00 H new ATOM 0 HB3 LEU A 61 20.820 -4.137 -8.956 1.00 0.00 H new ATOM 0 HG LEU A 61 19.029 -5.980 -8.374 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.215 -6.110 -10.038 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.055 -4.684 -8.985 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.667 -4.499 -10.646 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.434 -7.028 -10.584 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.005 -5.463 -11.211 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.910 -6.289 -9.919 1.00 0.00 H new ATOM 991 N LYS A 62 17.087 -3.894 -6.869 1.00 0.00 N ATOM 992 CA LYS A 62 15.688 -3.530 -6.650 1.00 0.00 C ATOM 993 C LYS A 62 15.565 -2.602 -5.446 1.00 0.00 C ATOM 994 O LYS A 62 14.820 -1.619 -5.480 1.00 0.00 O ATOM 995 CB LYS A 62 14.810 -4.779 -6.454 1.00 0.00 C ATOM 996 CG LYS A 62 14.729 -5.669 -7.691 1.00 0.00 C ATOM 997 CD LYS A 62 13.803 -6.868 -7.488 1.00 0.00 C ATOM 998 CE LYS A 62 12.350 -6.447 -7.298 1.00 0.00 C ATOM 999 NZ LYS A 62 11.439 -7.620 -7.213 1.00 0.00 N ATOM 0 H LYS A 62 17.318 -4.859 -6.630 1.00 0.00 H new ATOM 0 HA LYS A 62 15.334 -3.007 -7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.204 -5.363 -5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.804 -4.466 -6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.375 -5.079 -8.537 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.728 -6.024 -7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.877 -7.532 -8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.132 -7.436 -6.618 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.260 -5.851 -6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.045 -5.810 -8.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.524 -7.321 -6.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.295 -8.017 -8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.861 -8.343 -6.596 1.00 0.00 H new ATOM 1013 N ALA A 63 16.313 -2.914 -4.389 1.00 0.00 N ATOM 1014 CA ALA A 63 16.322 -2.095 -3.178 1.00 0.00 C ATOM 1015 C ALA A 63 16.805 -0.685 -3.486 1.00 0.00 C ATOM 1016 O ALA A 63 16.215 0.300 -3.038 1.00 0.00 O ATOM 1017 CB ALA A 63 17.208 -2.731 -2.112 1.00 0.00 C ATOM 0 H ALA A 63 16.923 -3.731 -4.347 1.00 0.00 H new ATOM 0 HA ALA A 63 15.302 -2.037 -2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 63 17.204 -2.109 -1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.827 -3.722 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 63 18.227 -2.817 -2.490 1.00 0.00 H new ATOM 1023 N LYS A 64 17.879 -0.601 -4.268 1.00 0.00 N ATOM 1024 CA LYS A 64 18.484 0.679 -4.611 1.00 0.00 C ATOM 1025 C LYS A 64 17.528 1.516 -5.462 1.00 0.00 C ATOM 1026 O LYS A 64 17.396 2.724 -5.258 1.00 0.00 O ATOM 1027 CB LYS A 64 19.813 0.454 -5.346 1.00 0.00 C ATOM 1028 CG LYS A 64 20.631 1.727 -5.536 1.00 0.00 C ATOM 1029 CD LYS A 64 22.017 1.434 -6.106 1.00 0.00 C ATOM 1030 CE LYS A 64 22.880 2.687 -6.146 1.00 0.00 C ATOM 1031 NZ LYS A 64 24.270 2.397 -6.589 1.00 0.00 N ATOM 0 H LYS A 64 18.348 -1.409 -4.676 1.00 0.00 H new ATOM 0 HA LYS A 64 18.685 1.229 -3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.408 -0.270 -4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 64 19.608 0.015 -6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.099 2.404 -6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.733 2.239 -4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 64 22.507 0.672 -5.500 1.00 0.00 H new ATOM 0 HD3 LYS A 64 21.919 1.026 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 64 22.430 3.415 -6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 64 22.903 3.142 -5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 24.822 3.279 -6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 24.710 1.722 -5.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 24.251 1.987 -7.545 1.00 0.00 H new ATOM 1045 N ALA A 65 16.851 0.860 -6.404 1.00 0.00 N ATOM 1046 CA ALA A 65 15.869 1.526 -7.260 1.00 0.00 C ATOM 1047 C ALA A 65 14.759 2.152 -6.417 1.00 0.00 C ATOM 1048 O ALA A 65 14.432 3.337 -6.569 1.00 0.00 O ATOM 1049 CB ALA A 65 15.285 0.538 -8.268 1.00 0.00 C ATOM 0 H ALA A 65 16.965 -0.136 -6.594 1.00 0.00 H new ATOM 0 HA ALA A 65 16.372 2.322 -7.808 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.556 1.049 -8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.085 0.138 -8.891 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.796 -0.278 -7.736 1.00 0.00 H new ATOM 1055 N ILE A 66 14.192 1.347 -5.518 1.00 0.00 N ATOM 1056 CA ILE A 66 13.133 1.808 -4.624 1.00 0.00 C ATOM 1057 C ILE A 66 13.653 2.918 -3.714 1.00 0.00 C ATOM 1058 O ILE A 66 12.946 3.886 -3.432 1.00 0.00 O ATOM 1059 CB ILE A 66 12.572 0.647 -3.759 1.00 0.00 C ATOM 1060 CG1 ILE A 66 11.958 -0.441 -4.660 1.00 0.00 C ATOM 1061 CG2 ILE A 66 11.536 1.160 -2.754 1.00 0.00 C ATOM 1062 CD1 ILE A 66 11.413 -1.630 -3.900 1.00 0.00 C ATOM 0 H ILE A 66 14.451 0.369 -5.391 1.00 0.00 H new ATOM 0 HA ILE A 66 12.325 2.194 -5.245 1.00 0.00 H new ATOM 0 HB ILE A 66 13.398 0.212 -3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.155 0.000 -5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 66 12.716 -0.788 -5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.160 0.326 -2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 66 12.001 1.893 -2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.709 1.627 -3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.998 -2.352 -4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.217 -2.098 -3.331 1.00 0.00 H new ATOM 0 HD13 ILE A 66 10.631 -1.298 -3.217 1.00 0.00 H new ATOM 1074 N TYR A 67 14.898 2.776 -3.271 1.00 0.00 N ATOM 1075 CA TYR A 67 15.532 3.782 -2.429 1.00 0.00 C ATOM 1076 C TYR A 67 15.502 5.146 -3.107 1.00 0.00 C ATOM 1077 O TYR A 67 14.890 6.090 -2.601 1.00 0.00 O ATOM 1078 CB TYR A 67 16.980 3.379 -2.099 1.00 0.00 C ATOM 1079 CG TYR A 67 17.790 4.480 -1.429 1.00 0.00 C ATOM 1080 CD1 TYR A 67 17.479 4.925 -0.147 1.00 0.00 C ATOM 1081 CD2 TYR A 67 18.862 5.079 -2.086 1.00 0.00 C ATOM 1082 CE1 TYR A 67 18.209 5.933 0.456 1.00 0.00 C ATOM 1083 CE2 TYR A 67 19.597 6.085 -1.486 1.00 0.00 C ATOM 1084 CZ TYR A 67 19.267 6.510 -0.217 1.00 0.00 C ATOM 1085 OH TYR A 67 19.997 7.518 0.380 1.00 0.00 O ATOM 0 H TYR A 67 15.488 1.972 -3.482 1.00 0.00 H new ATOM 0 HA TYR A 67 14.971 3.848 -1.497 1.00 0.00 H new ATOM 0 HB2 TYR A 67 16.964 2.506 -1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 67 17.482 3.081 -3.019 1.00 0.00 H new ATOM 0 HD1 TYR A 67 16.654 4.476 0.385 1.00 0.00 H new ATOM 0 HD2 TYR A 67 19.124 4.752 -3.081 1.00 0.00 H new ATOM 0 HE1 TYR A 67 17.952 6.268 1.450 1.00 0.00 H new ATOM 0 HE2 TYR A 67 20.427 6.536 -2.010 1.00 0.00 H new ATOM 0 HH TYR A 67 20.706 7.813 -0.229 1.00 0.00 H new ATOM 1095 N GLU A 68 16.119 5.213 -4.279 1.00 0.00 N ATOM 1096 CA GLU A 68 16.362 6.474 -4.968 1.00 0.00 C ATOM 1097 C GLU A 68 15.069 7.138 -5.455 1.00 0.00 C ATOM 1098 O GLU A 68 15.032 8.353 -5.643 1.00 0.00 O ATOM 1099 CB GLU A 68 17.313 6.241 -6.150 1.00 0.00 C ATOM 1100 CG GLU A 68 18.636 5.587 -5.751 1.00 0.00 C ATOM 1101 CD GLU A 68 19.571 5.360 -6.929 1.00 0.00 C ATOM 1102 OE1 GLU A 68 19.365 4.386 -7.687 1.00 0.00 O ATOM 1103 OE2 GLU A 68 20.521 6.155 -7.105 1.00 0.00 O ATOM 0 H GLU A 68 16.465 4.394 -4.779 1.00 0.00 H new ATOM 0 HA GLU A 68 16.818 7.156 -4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.815 5.613 -6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.520 7.196 -6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.137 6.215 -5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.431 4.631 -5.269 1.00 0.00 H new ATOM 1110 N LYS A 69 14.013 6.352 -5.671 1.00 0.00 N ATOM 1111 CA LYS A 69 12.766 6.902 -6.220 1.00 0.00 C ATOM 1112 C LYS A 69 11.663 7.031 -5.165 1.00 0.00 C ATOM 1113 O LYS A 69 10.763 7.864 -5.305 1.00 0.00 O ATOM 1114 CB LYS A 69 12.269 6.037 -7.389 1.00 0.00 C ATOM 1115 CG LYS A 69 11.004 6.578 -8.059 1.00 0.00 C ATOM 1116 CD LYS A 69 10.574 5.731 -9.254 1.00 0.00 C ATOM 1117 CE LYS A 69 9.262 6.231 -9.852 1.00 0.00 C ATOM 1118 NZ LYS A 69 8.834 5.427 -11.026 1.00 0.00 N ATOM 0 H LYS A 69 13.991 5.350 -5.479 1.00 0.00 H new ATOM 0 HA LYS A 69 12.995 7.907 -6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.060 5.960 -8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.074 5.028 -7.026 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.195 6.611 -7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.179 7.603 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.354 5.752 -10.016 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.461 4.692 -8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.483 6.200 -9.090 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.375 7.273 -10.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.939 5.804 -11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.564 5.476 -11.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.699 4.437 -10.738 1.00 0.00 H new ATOM 1132 N PHE A 70 11.724 6.218 -4.113 1.00 0.00 N ATOM 1133 CA PHE A 70 10.623 6.143 -3.147 1.00 0.00 C ATOM 1134 C PHE A 70 11.081 6.402 -1.708 1.00 0.00 C ATOM 1135 O PHE A 70 10.434 7.159 -0.981 1.00 0.00 O ATOM 1136 CB PHE A 70 9.937 4.772 -3.225 1.00 0.00 C ATOM 1137 CG PHE A 70 9.280 4.477 -4.555 1.00 0.00 C ATOM 1138 CD1 PHE A 70 8.044 5.026 -4.869 1.00 0.00 C ATOM 1139 CD2 PHE A 70 9.895 3.652 -5.485 1.00 0.00 C ATOM 1140 CE1 PHE A 70 7.437 4.757 -6.081 1.00 0.00 C ATOM 1141 CE2 PHE A 70 9.292 3.379 -6.699 1.00 0.00 C ATOM 1142 CZ PHE A 70 8.061 3.933 -6.997 1.00 0.00 C ATOM 0 H PHE A 70 12.514 5.607 -3.906 1.00 0.00 H new ATOM 0 HA PHE A 70 9.918 6.930 -3.416 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.676 3.997 -3.019 1.00 0.00 H new ATOM 0 HB3 PHE A 70 9.183 4.711 -2.440 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.551 5.671 -4.157 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.857 3.217 -5.258 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.475 5.191 -6.312 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.782 2.734 -7.413 1.00 0.00 H new ATOM 0 HZ PHE A 70 7.588 3.722 -7.945 1.00 0.00 H new ATOM 1152 N ILE A 71 12.181 5.775 -1.294 1.00 0.00 N ATOM 1153 CA ILE A 71 12.615 5.849 0.104 1.00 0.00 C ATOM 1154 C ILE A 71 13.142 7.241 0.430 1.00 0.00 C ATOM 1155 O ILE A 71 12.912 7.767 1.523 1.00 0.00 O ATOM 1156 CB ILE A 71 13.704 4.794 0.431 1.00 0.00 C ATOM 1157 CG1 ILE A 71 13.171 3.370 0.184 1.00 0.00 C ATOM 1158 CG2 ILE A 71 14.196 4.944 1.871 1.00 0.00 C ATOM 1159 CD1 ILE A 71 11.994 2.992 1.057 1.00 0.00 C ATOM 0 H ILE A 71 12.784 5.215 -1.897 1.00 0.00 H new ATOM 0 HA ILE A 71 11.741 5.636 0.719 1.00 0.00 H new ATOM 0 HB ILE A 71 14.551 4.964 -0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.878 3.279 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.978 2.657 0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.959 4.193 2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.620 5.939 2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 71 13.360 4.808 2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.678 1.976 0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.286 3.048 2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 71 11.169 3.680 0.873 1.00 0.00 H new ATOM 1171 N GLN A 72 13.841 7.833 -0.528 1.00 0.00 N ATOM 1172 CA GLN A 72 14.394 9.168 -0.361 1.00 0.00 C ATOM 1173 C GLN A 72 13.279 10.212 -0.412 1.00 0.00 C ATOM 1174 O GLN A 72 12.453 10.201 -1.324 1.00 0.00 O ATOM 1175 CB GLN A 72 15.449 9.443 -1.445 1.00 0.00 C ATOM 1176 CG GLN A 72 16.036 10.854 -1.413 1.00 0.00 C ATOM 1177 CD GLN A 72 16.766 11.191 -0.116 1.00 0.00 C ATOM 1178 OE1 GLN A 72 16.426 10.700 0.960 1.00 0.00 O ATOM 1179 NE2 GLN A 72 17.776 12.039 -0.210 1.00 0.00 N ATOM 0 H GLN A 72 14.039 7.407 -1.433 1.00 0.00 H new ATOM 0 HA GLN A 72 14.878 9.232 0.614 1.00 0.00 H new ATOM 0 HB2 GLN A 72 16.260 8.723 -1.336 1.00 0.00 H new ATOM 0 HB3 GLN A 72 15.000 9.272 -2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.728 10.968 -2.248 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.232 11.575 -1.564 1.00 0.00 H new ATOM 0 HE21 GLN A 72 18.032 12.428 -1.117 1.00 0.00 H new ATOM 0 HE22 GLN A 72 18.299 12.304 0.625 1.00 0.00 H new ATOM 1188 N THR A 73 13.252 11.096 0.584 1.00 0.00 N ATOM 1189 CA THR A 73 12.267 12.170 0.636 1.00 0.00 C ATOM 1190 C THR A 73 12.402 13.067 -0.595 1.00 0.00 C ATOM 1191 O THR A 73 11.409 13.442 -1.225 1.00 0.00 O ATOM 1192 CB THR A 73 12.439 13.016 1.919 1.00 0.00 C ATOM 1193 OG1 THR A 73 12.457 12.154 3.068 1.00 0.00 O ATOM 1194 CG2 THR A 73 11.316 14.041 2.067 1.00 0.00 C ATOM 0 H THR A 73 13.905 11.088 1.368 1.00 0.00 H new ATOM 0 HA THR A 73 11.275 11.720 0.649 1.00 0.00 H new ATOM 0 HB THR A 73 13.383 13.555 1.843 1.00 0.00 H new ATOM 0 HG1 THR A 73 12.568 12.693 3.879 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.468 14.618 2.979 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.320 14.712 1.208 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.357 13.525 2.120 1.00 0.00 H new ATOM 1202 N ASP A 74 13.646 13.394 -0.934 1.00 0.00 N ATOM 1203 CA ASP A 74 13.943 14.158 -2.141 1.00 0.00 C ATOM 1204 C ASP A 74 13.791 13.248 -3.361 1.00 0.00 C ATOM 1205 O ASP A 74 14.770 12.709 -3.884 1.00 0.00 O ATOM 1206 CB ASP A 74 15.365 14.746 -2.064 1.00 0.00 C ATOM 1207 CG ASP A 74 15.717 15.616 -3.264 1.00 0.00 C ATOM 1208 OD1 ASP A 74 15.361 16.816 -3.263 1.00 0.00 O ATOM 1209 OD2 ASP A 74 16.362 15.113 -4.208 1.00 0.00 O ATOM 0 H ASP A 74 14.468 13.140 -0.386 1.00 0.00 H new ATOM 0 HA ASP A 74 13.244 14.989 -2.231 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.458 15.338 -1.154 1.00 0.00 H new ATOM 0 HB3 ASP A 74 16.085 13.931 -1.990 1.00 0.00 H new ATOM 1214 N ALA A 75 12.545 13.041 -3.774 1.00 0.00 N ATOM 1215 CA ALA A 75 12.221 12.124 -4.865 1.00 0.00 C ATOM 1216 C ALA A 75 11.266 12.783 -5.860 1.00 0.00 C ATOM 1217 O ALA A 75 10.549 13.720 -5.506 1.00 0.00 O ATOM 1218 CB ALA A 75 11.611 10.846 -4.300 1.00 0.00 C ATOM 0 H ALA A 75 11.732 13.502 -3.364 1.00 0.00 H new ATOM 0 HA ALA A 75 13.138 11.872 -5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.371 10.165 -5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.324 10.369 -3.628 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.701 11.089 -3.751 1.00 0.00 H new ATOM 1224 N PRO A 76 11.241 12.298 -7.122 1.00 0.00 N ATOM 1225 CA PRO A 76 10.379 12.859 -8.171 1.00 0.00 C ATOM 1226 C PRO A 76 8.894 12.608 -7.897 1.00 0.00 C ATOM 1227 O PRO A 76 8.033 13.395 -8.298 1.00 0.00 O ATOM 1228 CB PRO A 76 10.825 12.124 -9.453 1.00 0.00 C ATOM 1229 CG PRO A 76 12.123 11.465 -9.105 1.00 0.00 C ATOM 1230 CD PRO A 76 12.056 11.179 -7.631 1.00 0.00 C ATOM 0 HA PRO A 76 10.479 13.942 -8.237 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.082 11.389 -9.762 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.948 12.821 -10.282 1.00 0.00 H new ATOM 0 HG2 PRO A 76 12.260 10.546 -9.676 1.00 0.00 H new ATOM 0 HG3 PRO A 76 12.966 12.115 -9.339 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.592 10.214 -7.426 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.047 11.160 -7.177 1.00 0.00 H new ATOM 1238 N LYS A 77 8.605 11.495 -7.224 1.00 0.00 N ATOM 1239 CA LYS A 77 7.229 11.124 -6.891 1.00 0.00 C ATOM 1240 C LYS A 77 6.963 11.381 -5.407 1.00 0.00 C ATOM 1241 O LYS A 77 5.889 11.857 -5.035 1.00 0.00 O ATOM 1242 CB LYS A 77 6.979 9.640 -7.220 1.00 0.00 C ATOM 1243 CG LYS A 77 5.505 9.221 -7.170 1.00 0.00 C ATOM 1244 CD LYS A 77 4.706 9.796 -8.343 1.00 0.00 C ATOM 1245 CE LYS A 77 3.253 9.315 -8.349 1.00 0.00 C ATOM 1246 NZ LYS A 77 2.453 9.896 -7.236 1.00 0.00 N ATOM 0 H LYS A 77 9.308 10.832 -6.897 1.00 0.00 H new ATOM 0 HA LYS A 77 6.549 11.734 -7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.370 9.430 -8.215 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.543 9.025 -6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.437 8.133 -7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.064 9.557 -6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.726 10.885 -8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.184 9.511 -9.280 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.791 9.579 -9.300 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.234 8.228 -8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.786 9.183 -6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.089 10.190 -6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.924 10.722 -7.583 1.00 0.00 H new ATOM 1260 N GLU A 78 7.969 11.075 -4.577 1.00 0.00 N ATOM 1261 CA GLU A 78 7.878 11.201 -3.115 1.00 0.00 C ATOM 1262 C GLU A 78 6.924 10.163 -2.527 1.00 0.00 C ATOM 1263 O GLU A 78 6.017 9.679 -3.201 1.00 0.00 O ATOM 1264 CB GLU A 78 7.428 12.607 -2.687 1.00 0.00 C ATOM 1265 CG GLU A 78 8.365 13.727 -3.115 1.00 0.00 C ATOM 1266 CD GLU A 78 7.882 15.087 -2.640 1.00 0.00 C ATOM 1267 OE1 GLU A 78 6.866 15.580 -3.173 1.00 0.00 O ATOM 1268 OE2 GLU A 78 8.501 15.660 -1.715 1.00 0.00 O ATOM 0 H GLU A 78 8.873 10.732 -4.901 1.00 0.00 H new ATOM 0 HA GLU A 78 8.881 11.026 -2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.439 12.800 -3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.329 12.628 -1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.362 13.537 -2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.451 13.732 -4.202 1.00 0.00 H new ATOM 1275 N VAL A 79 7.151 9.823 -1.261 1.00 0.00 N ATOM 1276 CA VAL A 79 6.277 8.916 -0.519 1.00 0.00 C ATOM 1277 C VAL A 79 6.113 9.423 0.911 1.00 0.00 C ATOM 1278 O VAL A 79 7.031 10.039 1.465 1.00 0.00 O ATOM 1279 CB VAL A 79 6.832 7.465 -0.489 1.00 0.00 C ATOM 1280 CG1 VAL A 79 5.936 6.551 0.350 1.00 0.00 C ATOM 1281 CG2 VAL A 79 6.983 6.912 -1.907 1.00 0.00 C ATOM 0 H VAL A 79 7.944 10.167 -0.720 1.00 0.00 H new ATOM 0 HA VAL A 79 5.314 8.895 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 79 7.817 7.494 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.348 5.542 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.888 6.927 1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.933 6.532 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 79 7.373 5.895 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.011 6.906 -2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.673 7.540 -2.471 1.00 0.00 H new ATOM 1291 N ASN A 80 4.950 9.181 1.499 1.00 0.00 N ATOM 1292 CA ASN A 80 4.679 9.590 2.873 1.00 0.00 C ATOM 1293 C ASN A 80 5.157 8.510 3.843 1.00 0.00 C ATOM 1294 O ASN A 80 4.408 7.601 4.203 1.00 0.00 O ATOM 1295 CB ASN A 80 3.180 9.866 3.062 1.00 0.00 C ATOM 1296 CG ASN A 80 2.661 10.987 2.169 1.00 0.00 C ATOM 1297 OD1 ASN A 80 1.521 10.949 1.698 1.00 0.00 O ATOM 1298 ND2 ASN A 80 3.475 12.008 1.945 1.00 0.00 N ATOM 0 H ASN A 80 4.174 8.701 1.044 1.00 0.00 H new ATOM 0 HA ASN A 80 5.224 10.511 3.083 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.620 8.955 2.853 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.993 10.124 4.104 1.00 0.00 H new ATOM 0 HD21 ASN A 80 3.165 12.791 1.370 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.412 12.011 2.348 1.00 0.00 H new ATOM 1305 N LEU A 81 6.427 8.597 4.232 1.00 0.00 N ATOM 1306 CA LEU A 81 7.043 7.615 5.119 1.00 0.00 C ATOM 1307 C LEU A 81 7.859 8.308 6.214 1.00 0.00 C ATOM 1308 O LEU A 81 8.472 9.354 5.977 1.00 0.00 O ATOM 1309 CB LEU A 81 7.934 6.664 4.300 1.00 0.00 C ATOM 1310 CG LEU A 81 8.848 5.730 5.113 1.00 0.00 C ATOM 1311 CD1 LEU A 81 8.021 4.728 5.911 1.00 0.00 C ATOM 1312 CD2 LEU A 81 9.839 5.013 4.197 1.00 0.00 C ATOM 0 H LEU A 81 7.055 9.347 3.942 1.00 0.00 H new ATOM 0 HA LEU A 81 6.256 7.036 5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.292 6.051 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.558 7.263 3.637 1.00 0.00 H new ATOM 0 HG LEU A 81 9.417 6.336 5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.686 4.077 6.479 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.364 5.263 6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.420 4.127 5.229 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.476 4.358 4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.293 4.420 3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.456 5.749 3.682 1.00 0.00 H new ATOM 1324 N ASP A 82 7.866 7.700 7.403 1.00 0.00 N ATOM 1325 CA ASP A 82 8.555 8.244 8.579 1.00 0.00 C ATOM 1326 C ASP A 82 10.038 8.533 8.309 1.00 0.00 C ATOM 1327 O ASP A 82 10.645 7.976 7.386 1.00 0.00 O ATOM 1328 CB ASP A 82 8.413 7.273 9.762 1.00 0.00 C ATOM 1329 CG ASP A 82 9.301 7.646 10.944 1.00 0.00 C ATOM 1330 OD1 ASP A 82 9.094 8.725 11.532 1.00 0.00 O ATOM 1331 OD2 ASP A 82 10.234 6.877 11.259 1.00 0.00 O ATOM 0 H ASP A 82 7.393 6.814 7.579 1.00 0.00 H new ATOM 0 HA ASP A 82 8.082 9.196 8.822 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.373 7.254 10.087 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.662 6.265 9.430 1.00 0.00 H new ATOM 1336 N PHE A 83 10.606 9.405 9.139 1.00 0.00 N ATOM 1337 CA PHE A 83 11.993 9.839 9.013 1.00 0.00 C ATOM 1338 C PHE A 83 12.950 8.733 9.457 1.00 0.00 C ATOM 1339 O PHE A 83 13.798 8.285 8.684 1.00 0.00 O ATOM 1340 CB PHE A 83 12.226 11.103 9.856 1.00 0.00 C ATOM 1341 CG PHE A 83 11.296 12.242 9.510 1.00 0.00 C ATOM 1342 CD1 PHE A 83 10.002 12.278 10.017 1.00 0.00 C ATOM 1343 CD2 PHE A 83 11.712 13.270 8.678 1.00 0.00 C ATOM 1344 CE1 PHE A 83 9.148 13.317 9.698 1.00 0.00 C ATOM 1345 CE2 PHE A 83 10.860 14.310 8.358 1.00 0.00 C ATOM 1346 CZ PHE A 83 9.577 14.332 8.869 1.00 0.00 C ATOM 0 H PHE A 83 10.112 9.832 9.923 1.00 0.00 H new ATOM 0 HA PHE A 83 12.189 10.064 7.965 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.105 10.854 10.910 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.256 11.433 9.723 1.00 0.00 H new ATOM 0 HD1 PHE A 83 9.660 11.486 10.667 1.00 0.00 H new ATOM 0 HD2 PHE A 83 12.714 13.258 8.275 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.145 13.334 10.098 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.197 15.105 7.709 1.00 0.00 H new ATOM 0 HZ PHE A 83 8.910 15.144 8.619 1.00 0.00 H new ATOM 1356 N HIS A 84 12.790 8.278 10.699 1.00 0.00 N ATOM 1357 CA HIS A 84 13.696 7.283 11.273 1.00 0.00 C ATOM 1358 C HIS A 84 13.604 5.961 10.519 1.00 0.00 C ATOM 1359 O HIS A 84 14.587 5.227 10.421 1.00 0.00 O ATOM 1360 CB HIS A 84 13.392 7.065 12.759 1.00 0.00 C ATOM 1361 CG HIS A 84 14.288 6.050 13.409 1.00 0.00 C ATOM 1362 ND1 HIS A 84 15.623 6.279 13.668 1.00 0.00 N ATOM 1363 CD2 HIS A 84 14.035 4.793 13.845 1.00 0.00 C ATOM 1364 CE1 HIS A 84 16.151 5.209 14.231 1.00 0.00 C ATOM 1365 NE2 HIS A 84 15.211 4.293 14.349 1.00 0.00 N ATOM 0 H HIS A 84 12.044 8.581 11.326 1.00 0.00 H new ATOM 0 HA HIS A 84 14.713 7.664 11.177 1.00 0.00 H new ATOM 0 HB2 HIS A 84 13.490 8.015 13.285 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.355 6.746 12.867 1.00 0.00 H new ATOM 0 HD1 HIS A 84 16.124 7.142 13.457 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.086 4.280 13.804 1.00 0.00 H new ATOM 0 HE1 HIS A 84 17.180 5.102 14.542 1.00 0.00 H new ATOM 1374 N THR A 85 12.426 5.666 9.985 1.00 0.00 N ATOM 1375 CA THR A 85 12.216 4.440 9.226 1.00 0.00 C ATOM 1376 C THR A 85 13.152 4.386 8.018 1.00 0.00 C ATOM 1377 O THR A 85 13.878 3.409 7.826 1.00 0.00 O ATOM 1378 CB THR A 85 10.750 4.313 8.751 1.00 0.00 C ATOM 1379 OG1 THR A 85 9.862 4.368 9.876 1.00 0.00 O ATOM 1380 CG2 THR A 85 10.528 3.007 7.994 1.00 0.00 C ATOM 0 H THR A 85 11.600 6.260 10.064 1.00 0.00 H new ATOM 0 HA THR A 85 12.437 3.605 9.891 1.00 0.00 H new ATOM 0 HB THR A 85 10.543 5.145 8.078 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.052 5.172 10.404 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.488 2.945 7.672 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.180 2.977 7.121 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.756 2.165 8.647 1.00 0.00 H new ATOM 1388 N LYS A 86 13.153 5.453 7.218 1.00 0.00 N ATOM 1389 CA LYS A 86 14.011 5.509 6.038 1.00 0.00 C ATOM 1390 C LYS A 86 15.474 5.667 6.454 1.00 0.00 C ATOM 1391 O LYS A 86 16.379 5.272 5.723 1.00 0.00 O ATOM 1392 CB LYS A 86 13.587 6.642 5.091 1.00 0.00 C ATOM 1393 CG LYS A 86 13.725 8.046 5.676 1.00 0.00 C ATOM 1394 CD LYS A 86 13.475 9.125 4.624 1.00 0.00 C ATOM 1395 CE LYS A 86 12.038 9.121 4.110 1.00 0.00 C ATOM 1396 NZ LYS A 86 11.070 9.587 5.139 1.00 0.00 N ATOM 0 H LYS A 86 12.575 6.281 7.364 1.00 0.00 H new ATOM 0 HA LYS A 86 13.902 4.570 5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.186 6.581 4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.548 6.485 4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.019 8.169 6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.724 8.170 6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.702 10.102 5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.157 8.976 3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.967 9.761 3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.771 8.113 3.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.103 9.519 4.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.153 8.993 5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.276 10.576 5.387 1.00 0.00 H new ATOM 1410 N GLU A 87 15.689 6.232 7.640 1.00 0.00 N ATOM 1411 CA GLU A 87 17.031 6.370 8.204 1.00 0.00 C ATOM 1412 C GLU A 87 17.643 4.990 8.458 1.00 0.00 C ATOM 1413 O GLU A 87 18.823 4.755 8.190 1.00 0.00 O ATOM 1414 CB GLU A 87 16.963 7.184 9.503 1.00 0.00 C ATOM 1415 CG GLU A 87 18.309 7.393 10.186 1.00 0.00 C ATOM 1416 CD GLU A 87 18.188 8.211 11.461 1.00 0.00 C ATOM 1417 OE1 GLU A 87 17.833 7.637 12.513 1.00 0.00 O ATOM 1418 OE2 GLU A 87 18.441 9.435 11.423 1.00 0.00 O ATOM 0 H GLU A 87 14.947 6.604 8.233 1.00 0.00 H new ATOM 0 HA GLU A 87 17.668 6.897 7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.525 8.158 9.285 1.00 0.00 H new ATOM 0 HB3 GLU A 87 16.291 6.681 10.198 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.750 6.424 10.419 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.989 7.895 9.498 1.00 0.00 H new ATOM 1425 N VAL A 88 16.833 4.071 8.974 1.00 0.00 N ATOM 1426 CA VAL A 88 17.274 2.692 9.157 1.00 0.00 C ATOM 1427 C VAL A 88 17.569 2.062 7.797 1.00 0.00 C ATOM 1428 O VAL A 88 18.533 1.309 7.636 1.00 0.00 O ATOM 1429 CB VAL A 88 16.213 1.841 9.907 1.00 0.00 C ATOM 1430 CG1 VAL A 88 16.684 0.394 10.069 1.00 0.00 C ATOM 1431 CG2 VAL A 88 15.887 2.460 11.266 1.00 0.00 C ATOM 0 H VAL A 88 15.874 4.254 9.271 1.00 0.00 H new ATOM 0 HA VAL A 88 18.178 2.710 9.765 1.00 0.00 H new ATOM 0 HB VAL A 88 15.303 1.832 9.308 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.922 -0.180 10.597 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.853 -0.046 9.086 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.613 0.375 10.639 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.142 1.849 11.775 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.792 2.507 11.871 1.00 0.00 H new ATOM 0 HG23 VAL A 88 15.494 3.466 11.122 1.00 0.00 H new ATOM 1441 N ILE A 89 16.741 2.405 6.812 1.00 0.00 N ATOM 1442 CA ILE A 89 16.889 1.884 5.458 1.00 0.00 C ATOM 1443 C ILE A 89 18.182 2.386 4.808 1.00 0.00 C ATOM 1444 O ILE A 89 18.873 1.622 4.133 1.00 0.00 O ATOM 1445 CB ILE A 89 15.673 2.264 4.574 1.00 0.00 C ATOM 1446 CG1 ILE A 89 14.383 1.658 5.159 1.00 0.00 C ATOM 1447 CG2 ILE A 89 15.883 1.800 3.132 1.00 0.00 C ATOM 1448 CD1 ILE A 89 13.123 2.025 4.401 1.00 0.00 C ATOM 0 H ILE A 89 15.956 3.046 6.930 1.00 0.00 H new ATOM 0 HA ILE A 89 16.938 0.798 5.535 1.00 0.00 H new ATOM 0 HB ILE A 89 15.576 3.350 4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 89 14.480 0.572 5.175 1.00 0.00 H new ATOM 0 HG13 ILE A 89 14.279 1.984 6.194 1.00 0.00 H new ATOM 0 HG21 ILE A 89 15.017 2.078 2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 89 16.775 2.274 2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 89 16.006 0.717 3.112 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.262 1.558 4.879 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.998 3.108 4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 89 13.202 1.674 3.372 1.00 0.00 H new ATOM 1460 N THR A 90 18.521 3.658 5.025 1.00 0.00 N ATOM 1461 CA THR A 90 19.742 4.229 4.458 1.00 0.00 C ATOM 1462 C THR A 90 20.969 3.496 4.992 1.00 0.00 C ATOM 1463 O THR A 90 21.945 3.286 4.272 1.00 0.00 O ATOM 1464 CB THR A 90 19.867 5.746 4.754 1.00 0.00 C ATOM 1465 OG1 THR A 90 19.746 5.984 6.159 1.00 0.00 O ATOM 1466 CG2 THR A 90 18.803 6.548 4.009 1.00 0.00 C ATOM 0 H THR A 90 17.971 4.308 5.586 1.00 0.00 H new ATOM 0 HA THR A 90 19.684 4.104 3.377 1.00 0.00 H new ATOM 0 HB THR A 90 20.848 6.072 4.409 1.00 0.00 H new ATOM 0 HG1 THR A 90 19.428 5.170 6.602 1.00 0.00 H new ATOM 0 HG21 THR A 90 18.919 7.607 4.238 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.917 6.395 2.936 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.813 6.216 4.320 1.00 0.00 H new ATOM 1474 N ASN A 91 20.906 3.095 6.257 1.00 0.00 N ATOM 1475 CA ASN A 91 21.969 2.293 6.868 1.00 0.00 C ATOM 1476 C ASN A 91 21.930 0.850 6.353 1.00 0.00 C ATOM 1477 O ASN A 91 22.960 0.181 6.273 1.00 0.00 O ATOM 1478 CB ASN A 91 21.847 2.307 8.401 1.00 0.00 C ATOM 1479 CG ASN A 91 22.329 3.609 9.027 1.00 0.00 C ATOM 1480 OD1 ASN A 91 23.490 3.732 9.420 1.00 0.00 O ATOM 1481 ND2 ASN A 91 21.448 4.593 9.125 1.00 0.00 N ATOM 0 H ASN A 91 20.130 3.311 6.883 1.00 0.00 H new ATOM 0 HA ASN A 91 22.925 2.736 6.587 1.00 0.00 H new ATOM 0 HB2 ASN A 91 20.806 2.141 8.678 1.00 0.00 H new ATOM 0 HB3 ASN A 91 22.422 1.478 8.813 1.00 0.00 H new ATOM 0 HD21 ASN A 91 21.723 5.485 9.536 1.00 0.00 H new ATOM 0 HD22 ASN A 91 20.494 4.459 8.790 1.00 0.00 H new ATOM 1488 N SER A 92 20.739 0.381 5.990 1.00 0.00 N ATOM 1489 CA SER A 92 20.550 -1.010 5.571 1.00 0.00 C ATOM 1490 C SER A 92 20.623 -1.172 4.048 1.00 0.00 C ATOM 1491 O SER A 92 20.548 -2.290 3.538 1.00 0.00 O ATOM 1492 CB SER A 92 19.200 -1.520 6.085 1.00 0.00 C ATOM 1493 OG SER A 92 19.131 -1.432 7.501 1.00 0.00 O ATOM 0 H SER A 92 19.888 0.943 5.977 1.00 0.00 H new ATOM 0 HA SER A 92 21.362 -1.598 5.999 1.00 0.00 H new ATOM 0 HB2 SER A 92 18.393 -0.937 5.641 1.00 0.00 H new ATOM 0 HB3 SER A 92 19.055 -2.554 5.773 1.00 0.00 H new ATOM 0 HG SER A 92 18.908 -0.514 7.761 1.00 0.00 H new ATOM 1499 N ILE A 93 20.785 -0.066 3.323 1.00 0.00 N ATOM 1500 CA ILE A 93 20.808 -0.104 1.857 1.00 0.00 C ATOM 1501 C ILE A 93 21.970 -0.965 1.350 1.00 0.00 C ATOM 1502 O ILE A 93 21.896 -1.555 0.270 1.00 0.00 O ATOM 1503 CB ILE A 93 20.903 1.325 1.245 1.00 0.00 C ATOM 1504 CG1 ILE A 93 20.645 1.300 -0.275 1.00 0.00 C ATOM 1505 CG2 ILE A 93 22.266 1.952 1.542 1.00 0.00 C ATOM 1506 CD1 ILE A 93 19.291 0.734 -0.660 1.00 0.00 C ATOM 0 H ILE A 93 20.902 0.865 3.723 1.00 0.00 H new ATOM 0 HA ILE A 93 19.868 -0.551 1.534 1.00 0.00 H new ATOM 0 HB ILE A 93 20.130 1.936 1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 93 20.728 2.315 -0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 93 21.425 0.710 -0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.310 2.950 1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 93 22.407 2.021 2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 93 23.053 1.332 1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 93 19.185 0.750 -1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 93 19.211 -0.293 -0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 93 18.503 1.337 -0.209 1.00 0.00 H new ATOM 1518 N THR A 94 23.032 -1.047 2.149 1.00 0.00 N ATOM 1519 CA THR A 94 24.222 -1.808 1.780 1.00 0.00 C ATOM 1520 C THR A 94 24.010 -3.310 2.009 1.00 0.00 C ATOM 1521 O THR A 94 24.734 -4.140 1.456 1.00 0.00 O ATOM 1522 CB THR A 94 25.458 -1.319 2.577 1.00 0.00 C ATOM 1523 OG1 THR A 94 26.654 -1.933 2.073 1.00 0.00 O ATOM 1524 CG2 THR A 94 25.317 -1.623 4.067 1.00 0.00 C ATOM 0 H THR A 94 23.092 -0.593 3.060 1.00 0.00 H new ATOM 0 HA THR A 94 24.403 -1.643 0.718 1.00 0.00 H new ATOM 0 HB THR A 94 25.523 -0.238 2.450 1.00 0.00 H new ATOM 0 HG1 THR A 94 27.426 -1.614 2.585 1.00 0.00 H new ATOM 0 HG21 THR A 94 26.201 -1.267 4.596 1.00 0.00 H new ATOM 0 HG22 THR A 94 24.433 -1.121 4.459 1.00 0.00 H new ATOM 0 HG23 THR A 94 25.217 -2.699 4.211 1.00 0.00 H new ATOM 1532 N GLN A 95 23.007 -3.651 2.820 1.00 0.00 N ATOM 1533 CA GLN A 95 22.691 -5.046 3.138 1.00 0.00 C ATOM 1534 C GLN A 95 21.175 -5.249 3.185 1.00 0.00 C ATOM 1535 O GLN A 95 20.585 -5.326 4.264 1.00 0.00 O ATOM 1536 CB GLN A 95 23.323 -5.463 4.481 1.00 0.00 C ATOM 1537 CG GLN A 95 24.840 -5.647 4.436 1.00 0.00 C ATOM 1538 CD GLN A 95 25.276 -6.812 3.555 1.00 0.00 C ATOM 1539 OE1 GLN A 95 26.351 -6.784 2.954 1.00 0.00 O ATOM 1540 NE2 GLN A 95 24.454 -7.850 3.478 1.00 0.00 N ATOM 0 H GLN A 95 22.394 -2.973 3.273 1.00 0.00 H new ATOM 0 HA GLN A 95 23.110 -5.675 2.353 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.083 -4.709 5.231 1.00 0.00 H new ATOM 0 HB3 GLN A 95 22.866 -6.396 4.809 1.00 0.00 H new ATOM 0 HG2 GLN A 95 25.300 -4.730 4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 95 25.211 -5.807 5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 95 23.571 -7.840 3.989 1.00 0.00 H new ATOM 0 HE22 GLN A 95 24.705 -8.658 2.908 1.00 0.00 H new ATOM 1549 N PRO A 96 20.517 -5.303 2.013 1.00 0.00 N ATOM 1550 CA PRO A 96 19.072 -5.528 1.934 1.00 0.00 C ATOM 1551 C PRO A 96 18.711 -6.990 2.211 1.00 0.00 C ATOM 1552 O PRO A 96 19.442 -7.907 1.822 1.00 0.00 O ATOM 1553 CB PRO A 96 18.733 -5.134 0.491 1.00 0.00 C ATOM 1554 CG PRO A 96 19.985 -5.402 -0.276 1.00 0.00 C ATOM 1555 CD PRO A 96 21.126 -5.139 0.676 1.00 0.00 C ATOM 0 HA PRO A 96 18.515 -4.956 2.676 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.899 -5.720 0.106 1.00 0.00 H new ATOM 0 HB3 PRO A 96 18.444 -4.085 0.424 1.00 0.00 H new ATOM 0 HG2 PRO A 96 20.008 -6.430 -0.637 1.00 0.00 H new ATOM 0 HG3 PRO A 96 20.051 -4.756 -1.151 1.00 0.00 H new ATOM 0 HD2 PRO A 96 21.946 -5.841 0.521 1.00 0.00 H new ATOM 0 HD3 PRO A 96 21.535 -4.137 0.543 1.00 0.00 H new ATOM 1563 N THR A 97 17.590 -7.198 2.891 1.00 0.00 N ATOM 1564 CA THR A 97 17.131 -8.534 3.254 1.00 0.00 C ATOM 1565 C THR A 97 15.659 -8.699 2.850 1.00 0.00 C ATOM 1566 O THR A 97 14.988 -7.716 2.522 1.00 0.00 O ATOM 1567 CB THR A 97 17.320 -8.775 4.776 1.00 0.00 C ATOM 1568 OG1 THR A 97 18.579 -8.230 5.198 1.00 0.00 O ATOM 1569 CG2 THR A 97 17.289 -10.261 5.128 1.00 0.00 C ATOM 0 H THR A 97 16.975 -6.448 3.206 1.00 0.00 H new ATOM 0 HA THR A 97 17.725 -9.277 2.721 1.00 0.00 H new ATOM 0 HB THR A 97 16.494 -8.283 5.289 1.00 0.00 H new ATOM 0 HG1 THR A 97 18.695 -8.382 6.159 1.00 0.00 H new ATOM 0 HG21 THR A 97 17.425 -10.383 6.203 1.00 0.00 H new ATOM 0 HG22 THR A 97 16.329 -10.685 4.833 1.00 0.00 H new ATOM 0 HG23 THR A 97 18.091 -10.777 4.600 1.00 0.00 H new ATOM 1577 N LEU A 98 15.156 -9.933 2.894 1.00 0.00 N ATOM 1578 CA LEU A 98 13.841 -10.274 2.340 1.00 0.00 C ATOM 1579 C LEU A 98 12.664 -9.587 3.057 1.00 0.00 C ATOM 1580 O LEU A 98 11.507 -9.859 2.725 1.00 0.00 O ATOM 1581 CB LEU A 98 13.633 -11.802 2.348 1.00 0.00 C ATOM 1582 CG LEU A 98 14.526 -12.617 1.388 1.00 0.00 C ATOM 1583 CD1 LEU A 98 14.422 -12.087 -0.040 1.00 0.00 C ATOM 1584 CD2 LEU A 98 15.981 -12.633 1.857 1.00 0.00 C ATOM 0 H LEU A 98 15.645 -10.724 3.313 1.00 0.00 H new ATOM 0 HA LEU A 98 13.844 -9.897 1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 98 13.800 -12.165 3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 98 12.591 -12.007 2.103 1.00 0.00 H new ATOM 0 HG LEU A 98 14.163 -13.645 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.061 -12.679 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 98 13.389 -12.158 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 98 14.742 -11.045 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 98 16.582 -13.215 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 98 16.361 -11.612 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 98 16.039 -13.083 2.848 1.00 0.00 H new ATOM 1596 N HIS A 99 12.933 -8.716 4.029 1.00 0.00 N ATOM 1597 CA HIS A 99 11.862 -7.938 4.664 1.00 0.00 C ATOM 1598 C HIS A 99 12.394 -6.657 5.308 1.00 0.00 C ATOM 1599 O HIS A 99 11.718 -6.065 6.140 1.00 0.00 O ATOM 1600 CB HIS A 99 11.113 -8.786 5.716 1.00 0.00 C ATOM 1601 CG HIS A 99 9.662 -9.017 5.392 1.00 0.00 C ATOM 1602 ND1 HIS A 99 8.813 -8.008 4.979 1.00 0.00 N ATOM 1603 CD2 HIS A 99 8.917 -10.151 5.387 1.00 0.00 C ATOM 1604 CE1 HIS A 99 7.615 -8.509 4.736 1.00 0.00 C ATOM 1605 NE2 HIS A 99 7.652 -9.805 4.978 1.00 0.00 N ATOM 0 H HIS A 99 13.868 -8.531 4.392 1.00 0.00 H new ATOM 0 HA HIS A 99 11.165 -7.654 3.876 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.612 -9.750 5.813 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.185 -8.292 6.685 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.255 -11.141 5.655 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.753 -7.953 4.397 1.00 0.00 H new ATOM 0 HE2 HIS A 99 6.867 -10.448 4.877 1.00 0.00 H new ATOM 1614 N SER A 100 13.577 -6.207 4.895 1.00 0.00 N ATOM 1615 CA SER A 100 14.193 -5.010 5.480 1.00 0.00 C ATOM 1616 C SER A 100 13.261 -3.794 5.402 1.00 0.00 C ATOM 1617 O SER A 100 13.204 -2.977 6.323 1.00 0.00 O ATOM 1618 CB SER A 100 15.508 -4.698 4.761 1.00 0.00 C ATOM 1619 OG SER A 100 16.382 -5.810 4.799 1.00 0.00 O ATOM 0 H SER A 100 14.129 -6.649 4.160 1.00 0.00 H new ATOM 0 HA SER A 100 14.386 -5.217 6.533 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.305 -4.426 3.725 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.987 -3.838 5.229 1.00 0.00 H new ATOM 0 HG SER A 100 17.007 -5.710 5.547 1.00 0.00 H new ATOM 1625 N PHE A 101 12.521 -3.694 4.301 1.00 0.00 N ATOM 1626 CA PHE A 101 11.660 -2.540 4.041 1.00 0.00 C ATOM 1627 C PHE A 101 10.252 -2.749 4.611 1.00 0.00 C ATOM 1628 O PHE A 101 9.318 -2.027 4.252 1.00 0.00 O ATOM 1629 CB PHE A 101 11.582 -2.279 2.526 1.00 0.00 C ATOM 1630 CG PHE A 101 12.896 -1.874 1.893 1.00 0.00 C ATOM 1631 CD1 PHE A 101 13.960 -2.764 1.827 1.00 0.00 C ATOM 1632 CD2 PHE A 101 13.059 -0.605 1.355 1.00 0.00 C ATOM 1633 CE1 PHE A 101 15.157 -2.395 1.241 1.00 0.00 C ATOM 1634 CE2 PHE A 101 14.254 -0.233 0.768 1.00 0.00 C ATOM 1635 CZ PHE A 101 15.304 -1.129 0.711 1.00 0.00 C ATOM 0 H PHE A 101 12.500 -4.403 3.568 1.00 0.00 H new ATOM 0 HA PHE A 101 12.096 -1.674 4.539 1.00 0.00 H new ATOM 0 HB2 PHE A 101 11.217 -3.180 2.033 1.00 0.00 H new ATOM 0 HB3 PHE A 101 10.847 -1.495 2.342 1.00 0.00 H new ATOM 0 HD1 PHE A 101 13.851 -3.757 2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.242 0.100 1.395 1.00 0.00 H new ATOM 0 HE1 PHE A 101 15.977 -3.097 1.198 1.00 0.00 H new ATOM 0 HE2 PHE A 101 14.367 0.758 0.354 1.00 0.00 H new ATOM 0 HZ PHE A 101 16.238 -0.839 0.253 1.00 0.00 H new ATOM 1645 N ASP A 102 10.105 -3.715 5.518 1.00 0.00 N ATOM 1646 CA ASP A 102 8.796 -4.038 6.092 1.00 0.00 C ATOM 1647 C ASP A 102 8.322 -2.914 7.008 1.00 0.00 C ATOM 1648 O ASP A 102 7.122 -2.661 7.129 1.00 0.00 O ATOM 1649 CB ASP A 102 8.848 -5.357 6.877 1.00 0.00 C ATOM 1650 CG ASP A 102 9.458 -5.199 8.263 1.00 0.00 C ATOM 1651 OD1 ASP A 102 10.586 -4.676 8.370 1.00 0.00 O ATOM 1652 OD2 ASP A 102 8.805 -5.597 9.252 1.00 0.00 O ATOM 0 H ASP A 102 10.873 -4.286 5.871 1.00 0.00 H new ATOM 0 HA ASP A 102 8.091 -4.151 5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.838 -5.756 6.973 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.427 -6.087 6.312 1.00 0.00 H new ATOM 1657 N ALA A 103 9.271 -2.258 7.670 1.00 0.00 N ATOM 1658 CA ALA A 103 8.966 -1.109 8.515 1.00 0.00 C ATOM 1659 C ALA A 103 8.338 0.000 7.678 1.00 0.00 C ATOM 1660 O ALA A 103 7.340 0.610 8.071 1.00 0.00 O ATOM 1661 CB ALA A 103 10.229 -0.613 9.210 1.00 0.00 C ATOM 0 H ALA A 103 10.260 -2.504 7.637 1.00 0.00 H new ATOM 0 HA ALA A 103 8.253 -1.411 9.282 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.986 0.245 9.837 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.641 -1.410 9.829 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.964 -0.318 8.461 1.00 0.00 H new ATOM 1667 N ALA A 104 8.922 0.234 6.505 1.00 0.00 N ATOM 1668 CA ALA A 104 8.404 1.220 5.563 1.00 0.00 C ATOM 1669 C ALA A 104 7.021 0.801 5.076 1.00 0.00 C ATOM 1670 O ALA A 104 6.100 1.618 4.989 1.00 0.00 O ATOM 1671 CB ALA A 104 9.361 1.383 4.388 1.00 0.00 C ATOM 0 H ALA A 104 9.760 -0.250 6.184 1.00 0.00 H new ATOM 0 HA ALA A 104 8.317 2.181 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.962 2.122 3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.332 1.716 4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.474 0.427 3.876 1.00 0.00 H new ATOM 1677 N GLN A 105 6.893 -0.490 4.783 1.00 0.00 N ATOM 1678 CA GLN A 105 5.630 -1.075 4.350 1.00 0.00 C ATOM 1679 C GLN A 105 4.543 -0.829 5.395 1.00 0.00 C ATOM 1680 O GLN A 105 3.418 -0.464 5.061 1.00 0.00 O ATOM 1681 CB GLN A 105 5.821 -2.582 4.097 1.00 0.00 C ATOM 1682 CG GLN A 105 4.553 -3.327 3.687 1.00 0.00 C ATOM 1683 CD GLN A 105 4.833 -4.748 3.221 1.00 0.00 C ATOM 1684 OE1 GLN A 105 5.769 -5.399 3.688 1.00 0.00 O ATOM 1685 NE2 GLN A 105 4.032 -5.238 2.285 1.00 0.00 N ATOM 0 H GLN A 105 7.661 -1.158 4.839 1.00 0.00 H new ATOM 0 HA GLN A 105 5.313 -0.602 3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 105 6.571 -2.713 3.317 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.219 -3.041 5.002 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.864 -3.355 4.531 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.056 -2.778 2.887 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.266 -4.671 1.921 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.181 -6.182 1.929 1.00 0.00 H new ATOM 1694 N SER A 106 4.909 -1.003 6.661 1.00 0.00 N ATOM 1695 CA SER A 106 3.985 -0.816 7.774 1.00 0.00 C ATOM 1696 C SER A 106 3.504 0.633 7.849 1.00 0.00 C ATOM 1697 O SER A 106 2.299 0.897 7.853 1.00 0.00 O ATOM 1698 CB SER A 106 4.665 -1.218 9.093 1.00 0.00 C ATOM 1699 OG SER A 106 3.790 -1.058 10.198 1.00 0.00 O ATOM 0 H SER A 106 5.850 -1.276 6.943 1.00 0.00 H new ATOM 0 HA SER A 106 3.116 -1.453 7.610 1.00 0.00 H new ATOM 0 HB2 SER A 106 4.992 -2.256 9.034 1.00 0.00 H new ATOM 0 HB3 SER A 106 5.558 -0.611 9.243 1.00 0.00 H new ATOM 0 HG SER A 106 4.251 -1.323 11.021 1.00 0.00 H new ATOM 1705 N ARG A 107 4.455 1.570 7.881 1.00 0.00 N ATOM 1706 CA ARG A 107 4.140 2.987 8.075 1.00 0.00 C ATOM 1707 C ARG A 107 3.173 3.505 7.013 1.00 0.00 C ATOM 1708 O ARG A 107 2.210 4.200 7.327 1.00 0.00 O ATOM 1709 CB ARG A 107 5.416 3.841 8.076 1.00 0.00 C ATOM 1710 CG ARG A 107 6.393 3.523 9.206 1.00 0.00 C ATOM 1711 CD ARG A 107 5.704 3.482 10.569 1.00 0.00 C ATOM 1712 NE ARG A 107 4.855 4.656 10.811 1.00 0.00 N ATOM 1713 CZ ARG A 107 4.140 4.846 11.921 1.00 0.00 C ATOM 1714 NH1 ARG A 107 4.228 3.988 12.933 1.00 0.00 N ATOM 1715 NH2 ARG A 107 3.341 5.903 12.021 1.00 0.00 N ATOM 0 H ARG A 107 5.450 1.372 7.775 1.00 0.00 H new ATOM 0 HA ARG A 107 3.655 3.072 9.047 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.928 3.707 7.123 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.134 4.892 8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.870 2.562 9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 107 7.184 4.273 9.223 1.00 0.00 H new ATOM 0 HD2 ARG A 107 5.097 2.579 10.637 1.00 0.00 H new ATOM 0 HD3 ARG A 107 6.460 3.418 11.352 1.00 0.00 H new ATOM 0 HE ARG A 107 4.809 5.371 10.085 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.845 3.179 12.863 1.00 0.00 H new ATOM 0 HH12 ARG A 107 3.679 4.139 13.779 1.00 0.00 H new ATOM 0 HH21 ARG A 107 3.275 6.567 11.250 1.00 0.00 H new ATOM 0 HH22 ARG A 107 2.793 6.050 12.869 1.00 0.00 H new ATOM 1729 N VAL A 108 3.427 3.153 5.762 1.00 0.00 N ATOM 1730 CA VAL A 108 2.626 3.660 4.653 1.00 0.00 C ATOM 1731 C VAL A 108 1.280 2.932 4.565 1.00 0.00 C ATOM 1732 O VAL A 108 0.250 3.542 4.266 1.00 0.00 O ATOM 1733 CB VAL A 108 3.396 3.540 3.318 1.00 0.00 C ATOM 1734 CG1 VAL A 108 2.581 4.110 2.163 1.00 0.00 C ATOM 1735 CG2 VAL A 108 4.750 4.241 3.426 1.00 0.00 C ATOM 0 H VAL A 108 4.179 2.520 5.487 1.00 0.00 H new ATOM 0 HA VAL A 108 2.428 4.715 4.842 1.00 0.00 H new ATOM 0 HB VAL A 108 3.567 2.483 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.146 4.013 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.643 3.563 2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.371 5.163 2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.283 4.150 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.597 5.295 3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.337 3.778 4.219 1.00 0.00 H new ATOM 1745 N TYR A 109 1.292 1.631 4.844 1.00 0.00 N ATOM 1746 CA TYR A 109 0.068 0.831 4.865 1.00 0.00 C ATOM 1747 C TYR A 109 -0.907 1.366 5.917 1.00 0.00 C ATOM 1748 O TYR A 109 -2.071 1.646 5.614 1.00 0.00 O ATOM 1749 CB TYR A 109 0.414 -0.645 5.130 1.00 0.00 C ATOM 1750 CG TYR A 109 -0.725 -1.489 5.694 1.00 0.00 C ATOM 1751 CD1 TYR A 109 -1.639 -2.121 4.857 1.00 0.00 C ATOM 1752 CD2 TYR A 109 -0.873 -1.661 7.070 1.00 0.00 C ATOM 1753 CE1 TYR A 109 -2.665 -2.892 5.374 1.00 0.00 C ATOM 1754 CE2 TYR A 109 -1.898 -2.429 7.589 1.00 0.00 C ATOM 1755 CZ TYR A 109 -2.790 -3.044 6.739 1.00 0.00 C ATOM 1756 OH TYR A 109 -3.813 -3.810 7.256 1.00 0.00 O ATOM 0 H TYR A 109 2.139 1.106 5.060 1.00 0.00 H new ATOM 0 HA TYR A 109 -0.421 0.903 3.893 1.00 0.00 H new ATOM 0 HB2 TYR A 109 0.751 -1.096 4.196 1.00 0.00 H new ATOM 0 HB3 TYR A 109 1.253 -0.686 5.824 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.546 -2.008 3.787 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -0.174 -1.185 7.742 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -3.367 -3.374 4.710 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -1.999 -2.546 8.658 1.00 0.00 H new ATOM 0 HH TYR A 109 -3.756 -3.814 8.234 1.00 0.00 H new ATOM 1766 N GLN A 110 -0.420 1.523 7.149 1.00 0.00 N ATOM 1767 CA GLN A 110 -1.251 2.000 8.253 1.00 0.00 C ATOM 1768 C GLN A 110 -1.710 3.428 7.990 1.00 0.00 C ATOM 1769 O GLN A 110 -2.800 3.834 8.406 1.00 0.00 O ATOM 1770 CB GLN A 110 -0.479 1.921 9.587 1.00 0.00 C ATOM 1771 CG GLN A 110 0.681 2.916 9.726 1.00 0.00 C ATOM 1772 CD GLN A 110 0.268 4.290 10.250 1.00 0.00 C ATOM 1773 OE1 GLN A 110 0.895 5.299 9.923 1.00 0.00 O ATOM 1774 NE2 GLN A 110 -0.781 4.343 11.060 1.00 0.00 N ATOM 0 H GLN A 110 0.547 1.326 7.406 1.00 0.00 H new ATOM 0 HA GLN A 110 -2.129 1.359 8.326 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -1.180 2.087 10.405 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -0.087 0.911 9.703 1.00 0.00 H new ATOM 0 HG2 GLN A 110 1.429 2.493 10.397 1.00 0.00 H new ATOM 0 HG3 GLN A 110 1.158 3.039 8.754 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -1.276 3.487 11.309 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -1.092 5.240 11.433 1.00 0.00 H new ATOM 1783 N LEU A 111 -0.866 4.176 7.290 1.00 0.00 N ATOM 1784 CA LEU A 111 -1.114 5.581 7.012 1.00 0.00 C ATOM 1785 C LEU A 111 -2.335 5.749 6.105 1.00 0.00 C ATOM 1786 O LEU A 111 -3.187 6.605 6.351 1.00 0.00 O ATOM 1787 CB LEU A 111 0.135 6.204 6.377 1.00 0.00 C ATOM 1788 CG LEU A 111 0.101 7.725 6.209 1.00 0.00 C ATOM 1789 CD1 LEU A 111 -0.089 8.418 7.558 1.00 0.00 C ATOM 1790 CD2 LEU A 111 1.370 8.217 5.521 1.00 0.00 C ATOM 0 H LEU A 111 0.008 3.824 6.900 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.329 6.098 7.947 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.000 5.943 6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.287 5.751 5.397 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.751 7.979 5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.110 9.498 7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.029 8.094 8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.736 8.157 8.221 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.327 9.301 5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.238 7.948 6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.453 7.755 4.537 1.00 0.00 H new ATOM 1802 N MET A 112 -2.430 4.919 5.064 1.00 0.00 N ATOM 1803 CA MET A 112 -3.589 4.955 4.171 1.00 0.00 C ATOM 1804 C MET A 112 -4.800 4.370 4.884 1.00 0.00 C ATOM 1805 O MET A 112 -5.933 4.808 4.681 1.00 0.00 O ATOM 1806 CB MET A 112 -3.336 4.157 2.883 1.00 0.00 C ATOM 1807 CG MET A 112 -2.093 4.568 2.109 1.00 0.00 C ATOM 1808 SD MET A 112 -1.991 3.752 0.501 1.00 0.00 S ATOM 1809 CE MET A 112 -2.408 2.063 0.936 1.00 0.00 C ATOM 0 H MET A 112 -1.727 4.221 4.821 1.00 0.00 H new ATOM 0 HA MET A 112 -3.770 5.996 3.902 1.00 0.00 H new ATOM 0 HB2 MET A 112 -3.255 3.100 3.138 1.00 0.00 H new ATOM 0 HB3 MET A 112 -4.203 4.262 2.231 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.096 5.649 1.967 1.00 0.00 H new ATOM 0 HG3 MET A 112 -1.206 4.326 2.694 1.00 0.00 H new ATOM 0 HE1 MET A 112 -2.037 1.387 0.166 1.00 0.00 H new ATOM 0 HE2 MET A 112 -1.951 1.810 1.893 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.491 1.964 1.014 1.00 0.00 H new ATOM 1819 N GLU A 113 -4.536 3.373 5.720 1.00 0.00 N ATOM 1820 CA GLU A 113 -5.574 2.671 6.460 1.00 0.00 C ATOM 1821 C GLU A 113 -6.380 3.652 7.318 1.00 0.00 C ATOM 1822 O GLU A 113 -7.568 3.869 7.077 1.00 0.00 O ATOM 1823 CB GLU A 113 -4.917 1.569 7.313 1.00 0.00 C ATOM 1824 CG GLU A 113 -5.883 0.610 8.007 1.00 0.00 C ATOM 1825 CD GLU A 113 -6.510 1.181 9.270 1.00 0.00 C ATOM 1826 OE1 GLU A 113 -5.758 1.623 10.166 1.00 0.00 O ATOM 1827 OE2 GLU A 113 -7.750 1.158 9.389 1.00 0.00 O ATOM 0 H GLU A 113 -3.593 3.029 5.903 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.276 2.205 5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -4.252 0.988 6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.296 2.044 8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.675 0.339 7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.352 -0.308 8.259 1.00 0.00 H new ATOM 1834 N GLN A 114 -5.706 4.282 8.277 1.00 0.00 N ATOM 1835 CA GLN A 114 -6.365 5.163 9.243 1.00 0.00 C ATOM 1836 C GLN A 114 -7.180 6.265 8.557 1.00 0.00 C ATOM 1837 O GLN A 114 -8.156 6.767 9.122 1.00 0.00 O ATOM 1838 CB GLN A 114 -5.325 5.782 10.193 1.00 0.00 C ATOM 1839 CG GLN A 114 -4.243 6.596 9.486 1.00 0.00 C ATOM 1840 CD GLN A 114 -3.192 7.159 10.438 1.00 0.00 C ATOM 1841 OE1 GLN A 114 -2.028 7.315 10.073 1.00 0.00 O ATOM 1842 NE2 GLN A 114 -3.592 7.482 11.659 1.00 0.00 N ATOM 0 H GLN A 114 -4.698 4.199 8.408 1.00 0.00 H new ATOM 0 HA GLN A 114 -7.062 4.553 9.818 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -5.839 6.424 10.909 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -4.850 4.984 10.764 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -3.751 5.967 8.744 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -4.712 7.419 8.946 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -4.565 7.340 11.931 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -2.927 7.872 12.327 1.00 0.00 H new ATOM 1851 N ASP A 115 -6.793 6.626 7.337 1.00 0.00 N ATOM 1852 CA ASP A 115 -7.447 7.719 6.616 1.00 0.00 C ATOM 1853 C ASP A 115 -8.389 7.198 5.526 1.00 0.00 C ATOM 1854 O ASP A 115 -9.611 7.210 5.689 1.00 0.00 O ATOM 1855 CB ASP A 115 -6.397 8.654 6.001 1.00 0.00 C ATOM 1856 CG ASP A 115 -7.027 9.827 5.260 1.00 0.00 C ATOM 1857 OD1 ASP A 115 -7.351 10.846 5.913 1.00 0.00 O ATOM 1858 OD2 ASP A 115 -7.204 9.738 4.027 1.00 0.00 O ATOM 0 H ASP A 115 -6.031 6.180 6.826 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.047 8.274 7.337 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.746 9.033 6.789 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.769 8.088 5.313 1.00 0.00 H new ATOM 1863 N SER A 116 -7.811 6.713 4.433 1.00 0.00 N ATOM 1864 CA SER A 116 -8.572 6.371 3.231 1.00 0.00 C ATOM 1865 C SER A 116 -9.546 5.210 3.480 1.00 0.00 C ATOM 1866 O SER A 116 -10.631 5.173 2.892 1.00 0.00 O ATOM 1867 CB SER A 116 -7.606 6.037 2.080 1.00 0.00 C ATOM 1868 OG SER A 116 -8.289 5.919 0.840 1.00 0.00 O ATOM 0 H SER A 116 -6.808 6.546 4.352 1.00 0.00 H new ATOM 0 HA SER A 116 -9.173 7.237 2.955 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.846 6.815 2.005 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.086 5.104 2.300 1.00 0.00 H new ATOM 0 HG SER A 116 -8.289 6.786 0.383 1.00 0.00 H new ATOM 1874 N TYR A 117 -9.183 4.283 4.371 1.00 0.00 N ATOM 1875 CA TYR A 117 -10.015 3.103 4.622 1.00 0.00 C ATOM 1876 C TYR A 117 -11.370 3.501 5.209 1.00 0.00 C ATOM 1877 O TYR A 117 -12.405 2.950 4.829 1.00 0.00 O ATOM 1878 CB TYR A 117 -9.292 2.117 5.549 1.00 0.00 C ATOM 1879 CG TYR A 117 -10.128 0.923 5.973 1.00 0.00 C ATOM 1880 CD1 TYR A 117 -10.675 0.055 5.032 1.00 0.00 C ATOM 1881 CD2 TYR A 117 -10.369 0.663 7.319 1.00 0.00 C ATOM 1882 CE1 TYR A 117 -11.435 -1.033 5.421 1.00 0.00 C ATOM 1883 CE2 TYR A 117 -11.125 -0.422 7.713 1.00 0.00 C ATOM 1884 CZ TYR A 117 -11.655 -1.266 6.762 1.00 0.00 C ATOM 1885 OH TYR A 117 -12.412 -2.347 7.156 1.00 0.00 O ATOM 0 H TYR A 117 -8.328 4.325 4.925 1.00 0.00 H new ATOM 0 HA TYR A 117 -10.194 2.609 3.667 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -8.395 1.756 5.046 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.964 2.650 6.441 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -10.503 0.234 3.981 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -9.957 1.322 8.069 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.854 -1.696 4.679 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -11.300 -0.609 8.762 1.00 0.00 H new ATOM 0 HH TYR A 117 -12.500 -2.975 6.409 1.00 0.00 H new ATOM 1895 N THR A 118 -11.364 4.468 6.125 1.00 0.00 N ATOM 1896 CA THR A 118 -12.601 4.942 6.741 1.00 0.00 C ATOM 1897 C THR A 118 -13.523 5.534 5.673 1.00 0.00 C ATOM 1898 O THR A 118 -14.723 5.233 5.614 1.00 0.00 O ATOM 1899 CB THR A 118 -12.324 5.999 7.838 1.00 0.00 C ATOM 1900 OG1 THR A 118 -11.693 7.156 7.265 1.00 0.00 O ATOM 1901 CG2 THR A 118 -11.432 5.429 8.938 1.00 0.00 C ATOM 0 H THR A 118 -10.520 4.936 6.455 1.00 0.00 H new ATOM 0 HA THR A 118 -13.086 4.087 7.213 1.00 0.00 H new ATOM 0 HB THR A 118 -13.281 6.283 8.276 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.830 6.900 6.878 1.00 0.00 H new ATOM 0 HG21 THR A 118 -11.254 6.193 9.695 1.00 0.00 H new ATOM 0 HG22 THR A 118 -11.924 4.571 9.397 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.481 5.115 8.509 1.00 0.00 H new ATOM 1909 N ARG A 119 -12.939 6.360 4.809 1.00 0.00 N ATOM 1910 CA ARG A 119 -13.670 6.949 3.697 1.00 0.00 C ATOM 1911 C ARG A 119 -14.226 5.854 2.796 1.00 0.00 C ATOM 1912 O ARG A 119 -15.362 5.936 2.342 1.00 0.00 O ATOM 1913 CB ARG A 119 -12.769 7.879 2.880 1.00 0.00 C ATOM 1914 CG ARG A 119 -12.238 9.080 3.654 1.00 0.00 C ATOM 1915 CD ARG A 119 -11.468 10.024 2.741 1.00 0.00 C ATOM 1916 NE ARG A 119 -12.309 10.532 1.651 1.00 0.00 N ATOM 1917 CZ ARG A 119 -11.942 10.581 0.369 1.00 0.00 C ATOM 1918 NH1 ARG A 119 -10.733 10.174 0.000 1.00 0.00 N ATOM 1919 NH2 ARG A 119 -12.787 11.044 -0.544 1.00 0.00 N ATOM 0 H ARG A 119 -11.958 6.636 4.860 1.00 0.00 H new ATOM 0 HA ARG A 119 -14.493 7.535 4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -11.924 7.305 2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -13.326 8.237 2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -13.068 9.614 4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -11.589 8.739 4.460 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -11.083 10.861 3.324 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -10.606 9.504 2.323 1.00 0.00 H new ATOM 0 HE ARG A 119 -13.240 10.872 1.890 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -10.078 9.821 0.698 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -10.459 10.214 -0.982 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -13.715 11.362 -0.265 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -12.508 11.082 -1.524 1.00 0.00 H new ATOM 1933 N PHE A 120 -13.422 4.822 2.555 1.00 0.00 N ATOM 1934 CA PHE A 120 -13.838 3.704 1.716 1.00 0.00 C ATOM 1935 C PHE A 120 -15.082 3.032 2.299 1.00 0.00 C ATOM 1936 O PHE A 120 -15.945 2.566 1.560 1.00 0.00 O ATOM 1937 CB PHE A 120 -12.701 2.685 1.565 1.00 0.00 C ATOM 1938 CG PHE A 120 -13.027 1.549 0.624 1.00 0.00 C ATOM 1939 CD1 PHE A 120 -12.922 1.720 -0.750 1.00 0.00 C ATOM 1940 CD2 PHE A 120 -13.440 0.315 1.109 1.00 0.00 C ATOM 1941 CE1 PHE A 120 -13.220 0.686 -1.618 1.00 0.00 C ATOM 1942 CE2 PHE A 120 -13.740 -0.720 0.246 1.00 0.00 C ATOM 1943 CZ PHE A 120 -13.630 -0.535 -1.120 1.00 0.00 C ATOM 0 H PHE A 120 -12.477 4.738 2.930 1.00 0.00 H new ATOM 0 HA PHE A 120 -14.083 4.092 0.727 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.809 3.199 1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -12.459 2.275 2.546 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.603 2.673 -1.146 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -13.528 0.163 2.175 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.132 0.833 -2.684 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -14.061 -1.674 0.638 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.864 -1.344 -1.796 1.00 0.00 H new ATOM 1953 N LEU A 121 -15.174 3.004 3.627 1.00 0.00 N ATOM 1954 CA LEU A 121 -16.325 2.411 4.309 1.00 0.00 C ATOM 1955 C LEU A 121 -17.576 3.278 4.138 1.00 0.00 C ATOM 1956 O LEU A 121 -18.702 2.782 4.213 1.00 0.00 O ATOM 1957 CB LEU A 121 -16.021 2.203 5.802 1.00 0.00 C ATOM 1958 CG LEU A 121 -14.875 1.225 6.107 1.00 0.00 C ATOM 1959 CD1 LEU A 121 -14.639 1.118 7.612 1.00 0.00 C ATOM 1960 CD2 LEU A 121 -15.164 -0.151 5.505 1.00 0.00 C ATOM 0 H LEU A 121 -14.465 3.385 4.254 1.00 0.00 H new ATOM 0 HA LEU A 121 -16.519 1.440 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -15.780 3.169 6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -16.925 1.843 6.294 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.966 1.614 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -13.824 0.420 7.804 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -14.379 2.099 8.010 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -15.546 0.758 8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -14.341 -0.828 5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -16.087 -0.547 5.929 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.271 -0.060 4.424 1.00 0.00 H new ATOM 1972 N LYS A 122 -17.373 4.578 3.925 1.00 0.00 N ATOM 1973 CA LYS A 122 -18.487 5.506 3.696 1.00 0.00 C ATOM 1974 C LYS A 122 -18.430 6.112 2.288 1.00 0.00 C ATOM 1975 O LYS A 122 -19.014 7.170 2.038 1.00 0.00 O ATOM 1976 CB LYS A 122 -18.480 6.625 4.754 1.00 0.00 C ATOM 1977 CG LYS A 122 -18.669 6.132 6.190 1.00 0.00 C ATOM 1978 CD LYS A 122 -19.937 5.290 6.352 1.00 0.00 C ATOM 1979 CE LYS A 122 -21.204 6.056 5.976 1.00 0.00 C ATOM 1980 NZ LYS A 122 -21.459 7.207 6.883 1.00 0.00 N ATOM 0 H LYS A 122 -16.451 5.014 3.906 1.00 0.00 H new ATOM 0 HA LYS A 122 -19.414 4.939 3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -17.536 7.165 4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -19.271 7.337 4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -17.802 5.541 6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -18.716 6.988 6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -19.858 4.398 5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -20.015 4.952 7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -21.117 6.417 4.951 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -22.057 5.378 6.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -22.355 7.665 6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -21.518 6.869 7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -20.682 7.893 6.800 1.00 0.00 H new ATOM 1994 N SER A 123 -17.732 5.441 1.376 1.00 0.00 N ATOM 1995 CA SER A 123 -17.613 5.911 -0.002 1.00 0.00 C ATOM 1996 C SER A 123 -18.903 5.650 -0.777 1.00 0.00 C ATOM 1997 O SER A 123 -19.639 4.704 -0.475 1.00 0.00 O ATOM 1998 CB SER A 123 -16.441 5.215 -0.704 1.00 0.00 C ATOM 1999 OG SER A 123 -16.664 3.815 -0.816 1.00 0.00 O ATOM 0 H SER A 123 -17.239 4.568 1.566 1.00 0.00 H new ATOM 0 HA SER A 123 -17.430 6.985 0.023 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.302 5.644 -1.696 1.00 0.00 H new ATOM 0 HB3 SER A 123 -15.522 5.396 -0.147 1.00 0.00 H new ATOM 0 HG SER A 123 -16.321 3.364 -0.016 1.00 0.00 H new ATOM 2005 N ASP A 124 -19.164 6.480 -1.785 1.00 0.00 N ATOM 2006 CA ASP A 124 -20.319 6.295 -2.663 1.00 0.00 C ATOM 2007 C ASP A 124 -20.199 4.957 -3.382 1.00 0.00 C ATOM 2008 O ASP A 124 -21.199 4.331 -3.745 1.00 0.00 O ATOM 2009 CB ASP A 124 -20.406 7.431 -3.692 1.00 0.00 C ATOM 2010 CG ASP A 124 -20.417 8.807 -3.049 1.00 0.00 C ATOM 2011 OD1 ASP A 124 -21.461 9.204 -2.495 1.00 0.00 O ATOM 2012 OD2 ASP A 124 -19.375 9.497 -3.088 1.00 0.00 O ATOM 0 H ASP A 124 -18.589 7.290 -2.015 1.00 0.00 H new ATOM 0 HA ASP A 124 -21.226 6.308 -2.058 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -19.560 7.361 -4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -21.310 7.306 -4.289 1.00 0.00 H new ATOM 2017 N ILE A 125 -18.952 4.538 -3.591 1.00 0.00 N ATOM 2018 CA ILE A 125 -18.649 3.230 -4.154 1.00 0.00 C ATOM 2019 C ILE A 125 -19.185 2.126 -3.243 1.00 0.00 C ATOM 2020 O ILE A 125 -19.933 1.251 -3.682 1.00 0.00 O ATOM 2021 CB ILE A 125 -17.118 3.046 -4.344 1.00 0.00 C ATOM 2022 CG1 ILE A 125 -16.566 4.074 -5.349 1.00 0.00 C ATOM 2023 CG2 ILE A 125 -16.785 1.621 -4.783 1.00 0.00 C ATOM 2024 CD1 ILE A 125 -17.163 3.968 -6.738 1.00 0.00 C ATOM 0 H ILE A 125 -18.127 5.097 -3.374 1.00 0.00 H new ATOM 0 HA ILE A 125 -19.132 3.165 -5.129 1.00 0.00 H new ATOM 0 HB ILE A 125 -16.637 3.219 -3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -16.749 5.077 -4.963 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -15.485 3.952 -5.420 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -15.707 1.521 -4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -17.129 0.917 -4.025 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -17.281 1.406 -5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -16.720 4.727 -7.383 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -16.958 2.979 -7.148 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -18.241 4.122 -6.684 1.00 0.00 H new ATOM 2036 N TYR A 126 -18.815 2.190 -1.967 1.00 0.00 N ATOM 2037 CA TYR A 126 -19.217 1.177 -0.994 1.00 0.00 C ATOM 2038 C TYR A 126 -20.736 1.157 -0.836 1.00 0.00 C ATOM 2039 O TYR A 126 -21.342 0.093 -0.715 1.00 0.00 O ATOM 2040 CB TYR A 126 -18.541 1.438 0.357 1.00 0.00 C ATOM 2041 CG TYR A 126 -18.697 0.304 1.354 1.00 0.00 C ATOM 2042 CD1 TYR A 126 -18.000 -0.888 1.186 1.00 0.00 C ATOM 2043 CD2 TYR A 126 -19.531 0.424 2.461 1.00 0.00 C ATOM 2044 CE1 TYR A 126 -18.130 -1.924 2.088 1.00 0.00 C ATOM 2045 CE2 TYR A 126 -19.664 -0.607 3.369 1.00 0.00 C ATOM 2046 CZ TYR A 126 -18.960 -1.779 3.178 1.00 0.00 C ATOM 2047 OH TYR A 126 -19.090 -2.812 4.078 1.00 0.00 O ATOM 0 H TYR A 126 -18.235 2.935 -1.581 1.00 0.00 H new ATOM 0 HA TYR A 126 -18.898 0.201 -1.360 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -17.479 1.619 0.191 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -18.956 2.348 0.790 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -17.346 -1.005 0.335 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -20.084 1.339 2.612 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -17.584 -2.844 1.940 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -20.315 -0.497 4.224 1.00 0.00 H new ATOM 0 HH TYR A 126 -18.438 -3.513 3.868 1.00 0.00 H new ATOM 2057 N LEU A 127 -21.345 2.341 -0.854 1.00 0.00 N ATOM 2058 CA LEU A 127 -22.800 2.462 -0.766 1.00 0.00 C ATOM 2059 C LEU A 127 -23.465 1.748 -1.945 1.00 0.00 C ATOM 2060 O LEU A 127 -24.551 1.176 -1.810 1.00 0.00 O ATOM 2061 CB LEU A 127 -23.213 3.939 -0.733 1.00 0.00 C ATOM 2062 CG LEU A 127 -22.689 4.742 0.472 1.00 0.00 C ATOM 2063 CD1 LEU A 127 -23.095 6.210 0.366 1.00 0.00 C ATOM 2064 CD2 LEU A 127 -23.187 4.138 1.787 1.00 0.00 C ATOM 0 H LEU A 127 -20.853 3.232 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 127 -23.132 1.990 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -22.863 4.418 -1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -24.302 3.995 -0.740 1.00 0.00 H new ATOM 0 HG LEU A 127 -21.600 4.689 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -22.713 6.756 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -22.680 6.637 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -24.182 6.286 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -22.804 4.722 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -24.277 4.151 1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -22.835 3.110 1.871 1.00 0.00 H new ATOM 2076 N ASP A 128 -22.796 1.778 -3.095 1.00 0.00 N ATOM 2077 CA ASP A 128 -23.273 1.090 -4.295 1.00 0.00 C ATOM 2078 C ASP A 128 -23.056 -0.416 -4.166 1.00 0.00 C ATOM 2079 O ASP A 128 -23.858 -1.217 -4.649 1.00 0.00 O ATOM 2080 CB ASP A 128 -22.544 1.628 -5.535 1.00 0.00 C ATOM 2081 CG ASP A 128 -22.903 0.879 -6.810 1.00 0.00 C ATOM 2082 OD1 ASP A 128 -23.955 1.182 -7.411 1.00 0.00 O ATOM 2083 OD2 ASP A 128 -22.125 -0.002 -7.233 1.00 0.00 O ATOM 0 H ASP A 128 -21.915 2.275 -3.223 1.00 0.00 H new ATOM 0 HA ASP A 128 -24.341 1.278 -4.405 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -22.784 2.684 -5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -21.468 1.563 -5.373 1.00 0.00 H new ATOM 2088 N LEU A 129 -21.968 -0.793 -3.501 1.00 0.00 N ATOM 2089 CA LEU A 129 -21.653 -2.201 -3.268 1.00 0.00 C ATOM 2090 C LEU A 129 -22.616 -2.806 -2.246 1.00 0.00 C ATOM 2091 O LEU A 129 -22.747 -4.028 -2.152 1.00 0.00 O ATOM 2092 CB LEU A 129 -20.202 -2.359 -2.786 1.00 0.00 C ATOM 2093 CG LEU A 129 -19.124 -1.844 -3.756 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -17.726 -2.054 -3.176 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -19.253 -2.519 -5.123 1.00 0.00 C ATOM 0 H LEU A 129 -21.287 -0.141 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 129 -21.766 -2.734 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -20.093 -1.834 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -20.015 -3.415 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 129 -19.276 -0.773 -3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -16.981 -1.682 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -17.638 -1.513 -2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -17.561 -3.117 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -18.480 -2.139 -5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -19.136 -3.597 -5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -20.235 -2.303 -5.544 1.00 0.00 H new ATOM 2107 N MET A 130 -23.284 -1.943 -1.485 1.00 0.00 N ATOM 2108 CA MET A 130 -24.257 -2.382 -0.489 1.00 0.00 C ATOM 2109 C MET A 130 -25.565 -2.821 -1.158 1.00 0.00 C ATOM 2110 O MET A 130 -25.752 -4.002 -1.456 1.00 0.00 O ATOM 2111 CB MET A 130 -24.531 -1.263 0.533 1.00 0.00 C ATOM 2112 CG MET A 130 -23.363 -0.925 1.465 1.00 0.00 C ATOM 2113 SD MET A 130 -23.065 -2.181 2.733 1.00 0.00 S ATOM 2114 CE MET A 130 -22.087 -3.389 1.838 1.00 0.00 C ATOM 0 H MET A 130 -23.168 -0.931 -1.540 1.00 0.00 H new ATOM 0 HA MET A 130 -23.836 -3.239 0.037 1.00 0.00 H new ATOM 0 HB2 MET A 130 -24.814 -0.361 -0.009 1.00 0.00 H new ATOM 0 HB3 MET A 130 -25.388 -1.552 1.142 1.00 0.00 H new ATOM 0 HG2 MET A 130 -22.458 -0.799 0.870 1.00 0.00 H new ATOM 0 HG3 MET A 130 -23.561 0.031 1.951 1.00 0.00 H new ATOM 0 HE1 MET A 130 -22.695 -4.271 1.635 1.00 0.00 H new ATOM 0 HE2 MET A 130 -21.748 -2.957 0.896 1.00 0.00 H new ATOM 0 HE3 MET A 130 -21.223 -3.675 2.438 1.00 0.00 H new