USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 576 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 86 MET CE :methyl -156:sc= -6.07! (180deg=-6.87!) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= -0.0491 USER MOD Set 2.1: A 4 ASN : amide:sc= -0.0583 K(o=0.035,f=-6.6!) USER MOD Set 2.2: A 68 HIS : no HE2:sc= -3.24! C(o=0.035!,f=-6.9!) USER MOD Set 2.3: A 69 THR OG1 : rot -111:sc= 1.25 USER MOD Set 2.4: A 89 ASN : amide:sc= 2.08 K(o=0.035,f=-3.4) USER MOD Set 3.1: A 65 ASN : amide:sc= 0.967 K(o=2.2,f=-1.3) USER MOD Set 3.2: A 71 THR OG1 : rot -129:sc= 1.28 USER MOD Set 4.1: A 43 ASN : amide:sc= 0.632 K(o=1.5,f=-3.3!) USER MOD Set 4.2: A 58 SER OG : rot 39:sc= 0.886 USER MOD Single : A 7 ASN : amide:sc= -0.522 K(o=-0.52,f=-1.9!) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0105 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.734 K(o=0.73,f=-8.2!) USER MOD Single : A 29 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.027) USER MOD Single : A 31 HIS : no HD1:sc= -0.0591 X(o=-0.059,f=0.0051) USER MOD Single : A 33 THR OG1 : rot 100:sc= -0.0835 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.0275 F(o=-1.8,f=-0.028) USER MOD Single : A 38 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.6) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.01 X(o=-1,f=-1.1) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -150:sc= -0.0966 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -154:sc= 1.05 USER MOD Single : A 73 SER OG : rot -123:sc= -0.103! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= 0.954 K(o=0.95,f=-3.1!) USER MOD Single : A 84 SER OG : rot 40:sc= 0.066 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.52! C(o=-1.5!,f=-5!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -162:sc= -0.272 (180deg=-0.773) USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 3 11.129 -3.284 -1.763 1.00 0.00 N ATOM 34 CA CYS A 3 10.568 -4.424 -1.050 1.00 0.00 C ATOM 35 C CYS A 3 9.866 -5.381 -2.014 1.00 0.00 C ATOM 36 O CYS A 3 10.100 -6.589 -1.974 1.00 0.00 O ATOM 37 CB CYS A 3 9.598 -3.925 0.017 1.00 0.00 C ATOM 38 SG CYS A 3 10.373 -2.866 1.288 1.00 0.00 S ATOM 0 HA CYS A 3 11.377 -4.975 -0.571 1.00 0.00 H new ATOM 0 HB2 CYS A 3 8.797 -3.367 -0.467 1.00 0.00 H new ATOM 0 HB3 CYS A 3 9.138 -4.784 0.506 1.00 0.00 H new ATOM 42 N ASN A 4 9.017 -4.830 -2.874 1.00 0.00 N ATOM 43 CA ASN A 4 8.293 -5.609 -3.881 1.00 0.00 C ATOM 44 C ASN A 4 7.484 -6.747 -3.269 1.00 0.00 C ATOM 45 O ASN A 4 7.814 -7.921 -3.446 1.00 0.00 O ATOM 46 CB ASN A 4 9.260 -6.164 -4.933 1.00 0.00 C ATOM 47 CG ASN A 4 9.570 -5.167 -6.028 1.00 0.00 C ATOM 48 OD1 ASN A 4 8.724 -4.361 -6.397 1.00 0.00 O ATOM 49 ND2 ASN A 4 10.784 -5.209 -6.549 1.00 0.00 N ATOM 0 H ASN A 4 8.809 -3.832 -2.896 1.00 0.00 H new ATOM 0 HA ASN A 4 7.589 -4.926 -4.358 1.00 0.00 H new ATOM 0 HB2 ASN A 4 10.188 -6.462 -4.445 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.831 -7.062 -5.377 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.045 -4.555 -7.286 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.459 -5.896 -6.214 1.00 0.00 H new ATOM 55 N PHE A 5 6.420 -6.392 -2.554 1.00 0.00 N ATOM 56 CA PHE A 5 5.549 -7.384 -1.931 1.00 0.00 C ATOM 57 C PHE A 5 4.986 -8.343 -2.987 1.00 0.00 C ATOM 58 O PHE A 5 4.922 -9.552 -2.782 1.00 0.00 O ATOM 59 CB PHE A 5 4.400 -6.699 -1.178 1.00 0.00 C ATOM 60 CG PHE A 5 3.356 -6.069 -2.062 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.643 -4.937 -2.809 1.00 0.00 C ATOM 62 CD2 PHE A 5 2.086 -6.617 -2.144 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.684 -4.367 -3.620 1.00 0.00 C ATOM 64 CE2 PHE A 5 1.123 -6.049 -2.952 1.00 0.00 C ATOM 65 CZ PHE A 5 1.423 -4.923 -3.692 1.00 0.00 C ATOM 0 H PHE A 5 6.140 -5.425 -2.392 1.00 0.00 H new ATOM 0 HA PHE A 5 6.142 -7.956 -1.217 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.916 -7.434 -0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.817 -5.931 -0.527 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.628 -4.497 -2.755 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.847 -7.499 -1.569 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.920 -3.486 -4.198 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.136 -6.484 -3.006 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.671 -4.477 -4.327 1.00 0.00 H new ATOM 74 N ALA A 6 4.640 -7.781 -4.142 1.00 0.00 N ATOM 75 CA ALA A 6 4.044 -8.527 -5.248 1.00 0.00 C ATOM 76 C ALA A 6 4.930 -9.659 -5.769 1.00 0.00 C ATOM 77 O ALA A 6 4.430 -10.605 -6.370 1.00 0.00 O ATOM 78 CB ALA A 6 3.712 -7.571 -6.382 1.00 0.00 C ATOM 0 H ALA A 6 4.766 -6.788 -4.339 1.00 0.00 H new ATOM 0 HA ALA A 6 3.140 -8.996 -4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.267 -8.126 -7.208 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.007 -6.819 -6.029 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.624 -7.081 -6.724 1.00 0.00 H new ATOM 84 N ASN A 7 6.234 -9.579 -5.534 1.00 0.00 N ATOM 85 CA ASN A 7 7.150 -10.613 -6.019 1.00 0.00 C ATOM 86 C ASN A 7 7.009 -11.916 -5.241 1.00 0.00 C ATOM 87 O ASN A 7 7.640 -12.919 -5.575 1.00 0.00 O ATOM 88 CB ASN A 7 8.609 -10.153 -5.969 1.00 0.00 C ATOM 89 CG ASN A 7 8.994 -9.291 -7.158 1.00 0.00 C ATOM 90 OD1 ASN A 7 8.364 -9.346 -8.213 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.054 -8.514 -7.010 1.00 0.00 N ATOM 0 H ASN A 7 6.680 -8.821 -5.018 1.00 0.00 H new ATOM 0 HA ASN A 7 6.871 -10.793 -7.057 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.777 -9.592 -5.050 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.260 -11.027 -5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.374 -7.934 -7.786 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.552 -8.494 -6.120 1.00 0.00 H new ATOM 97 N SER A 8 6.206 -11.902 -4.191 1.00 0.00 N ATOM 98 CA SER A 8 5.992 -13.096 -3.391 1.00 0.00 C ATOM 99 C SER A 8 4.570 -13.121 -2.844 1.00 0.00 C ATOM 100 O SER A 8 4.266 -13.854 -1.901 1.00 0.00 O ATOM 101 CB SER A 8 7.007 -13.152 -2.252 1.00 0.00 C ATOM 102 OG SER A 8 8.336 -13.112 -2.746 1.00 0.00 O ATOM 0 H SER A 8 5.693 -11.080 -3.873 1.00 0.00 H new ATOM 0 HA SER A 8 6.130 -13.973 -4.024 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.843 -12.314 -1.574 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.859 -14.064 -1.674 1.00 0.00 H new ATOM 0 HG SER A 8 8.965 -13.148 -1.995 1.00 0.00 H new ATOM 107 N CYS A 9 3.703 -12.327 -3.455 1.00 0.00 N ATOM 108 CA CYS A 9 2.312 -12.237 -3.034 1.00 0.00 C ATOM 109 C CYS A 9 1.374 -12.468 -4.213 1.00 0.00 C ATOM 110 O CYS A 9 1.567 -11.907 -5.289 1.00 0.00 O ATOM 111 CB CYS A 9 2.045 -10.871 -2.395 1.00 0.00 C ATOM 112 SG CYS A 9 2.929 -10.600 -0.818 1.00 0.00 S ATOM 0 H CYS A 9 3.940 -11.732 -4.249 1.00 0.00 H new ATOM 0 HA CYS A 9 2.122 -13.015 -2.294 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.332 -10.090 -3.099 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.974 -10.766 -2.222 1.00 0.00 H new ATOM 116 N THR A 10 0.364 -13.305 -4.004 1.00 0.00 N ATOM 117 CA THR A 10 -0.597 -13.627 -5.049 1.00 0.00 C ATOM 118 C THR A 10 -2.022 -13.615 -4.512 1.00 0.00 C ATOM 119 O THR A 10 -2.239 -13.814 -3.318 1.00 0.00 O ATOM 120 CB THR A 10 -0.302 -15.012 -5.657 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.108 -15.976 -4.610 1.00 0.00 O ATOM 122 CG2 THR A 10 0.931 -14.968 -6.542 1.00 0.00 C ATOM 0 H THR A 10 0.190 -13.774 -3.115 1.00 0.00 H new ATOM 0 HA THR A 10 -0.501 -12.863 -5.820 1.00 0.00 H new ATOM 0 HB THR A 10 -1.157 -15.302 -6.268 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.077 -16.854 -5.004 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.116 -15.958 -6.958 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.771 -14.258 -7.353 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.792 -14.656 -5.951 1.00 0.00 H new ATOM 130 N GLY A 11 -2.984 -13.373 -5.396 1.00 0.00 N ATOM 131 CA GLY A 11 -4.381 -13.344 -4.995 1.00 0.00 C ATOM 132 C GLY A 11 -4.670 -12.189 -4.064 1.00 0.00 C ATOM 133 O GLY A 11 -5.144 -12.385 -2.943 1.00 0.00 O ATOM 0 H GLY A 11 -2.821 -13.196 -6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.012 -13.265 -5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.638 -14.282 -4.503 1.00 0.00 H new ATOM 137 N VAL A 12 -4.380 -10.984 -4.529 1.00 0.00 N ATOM 138 CA VAL A 12 -4.582 -9.788 -3.727 1.00 0.00 C ATOM 139 C VAL A 12 -5.948 -9.146 -3.976 1.00 0.00 C ATOM 140 O VAL A 12 -6.416 -9.056 -5.114 1.00 0.00 O ATOM 141 CB VAL A 12 -3.466 -8.753 -3.987 1.00 0.00 C ATOM 142 CG1 VAL A 12 -2.123 -9.286 -3.510 1.00 0.00 C ATOM 143 CG2 VAL A 12 -3.404 -8.390 -5.464 1.00 0.00 C ATOM 0 H VAL A 12 -4.003 -10.808 -5.460 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.545 -10.104 -2.684 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.698 -7.850 -3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.348 -8.544 -3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.172 -9.492 -2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.885 -10.205 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.611 -7.660 -5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.198 -9.285 -6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.358 -7.965 -5.775 1.00 0.00 H new ATOM 153 N GLU A 13 -6.580 -8.711 -2.894 1.00 0.00 N ATOM 154 CA GLU A 13 -7.881 -8.057 -2.955 1.00 0.00 C ATOM 155 C GLU A 13 -7.820 -6.717 -2.233 1.00 0.00 C ATOM 156 O GLU A 13 -7.126 -6.589 -1.225 1.00 0.00 O ATOM 157 CB GLU A 13 -8.960 -8.919 -2.293 1.00 0.00 C ATOM 158 CG GLU A 13 -9.160 -10.282 -2.929 1.00 0.00 C ATOM 159 CD GLU A 13 -10.286 -11.050 -2.270 1.00 0.00 C ATOM 160 OE1 GLU A 13 -11.451 -10.882 -2.692 1.00 0.00 O ATOM 161 OE2 GLU A 13 -10.023 -11.815 -1.321 1.00 0.00 O ATOM 0 H GLU A 13 -6.206 -8.801 -1.949 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.134 -7.911 -4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.702 -9.057 -1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.906 -8.378 -2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.376 -10.160 -3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.237 -10.856 -2.856 1.00 0.00 H new ATOM 166 N LEU A 14 -8.539 -5.724 -2.746 1.00 0.00 N ATOM 167 CA LEU A 14 -8.567 -4.408 -2.123 1.00 0.00 C ATOM 168 C LEU A 14 -10.003 -3.959 -1.897 1.00 0.00 C ATOM 169 O LEU A 14 -10.737 -3.685 -2.850 1.00 0.00 O ATOM 170 CB LEU A 14 -7.817 -3.385 -2.980 1.00 0.00 C ATOM 171 CG LEU A 14 -7.800 -1.944 -2.445 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.491 -1.902 -0.957 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.781 -1.130 -3.203 1.00 0.00 C ATOM 0 H LEU A 14 -9.108 -5.806 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.067 -4.477 -1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.787 -3.722 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.262 -3.377 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.793 -1.520 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.488 -0.867 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.251 -2.462 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.513 -2.347 -0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.773 -0.109 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.793 -1.573 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.039 -1.118 -4.262 1.00 0.00 H new ATOM 184 N TYR A 15 -10.402 -3.907 -0.637 1.00 0.00 N ATOM 185 CA TYR A 15 -11.745 -3.485 -0.278 1.00 0.00 C ATOM 186 C TYR A 15 -11.687 -2.210 0.556 1.00 0.00 C ATOM 187 O TYR A 15 -11.367 -2.246 1.746 1.00 0.00 O ATOM 188 CB TYR A 15 -12.467 -4.595 0.496 1.00 0.00 C ATOM 189 CG TYR A 15 -13.896 -4.251 0.862 1.00 0.00 C ATOM 190 CD1 TYR A 15 -14.923 -4.399 -0.061 1.00 0.00 C ATOM 191 CD2 TYR A 15 -14.214 -3.779 2.130 1.00 0.00 C ATOM 192 CE1 TYR A 15 -16.227 -4.085 0.270 1.00 0.00 C ATOM 193 CE2 TYR A 15 -15.516 -3.464 2.466 1.00 0.00 C ATOM 194 CZ TYR A 15 -16.518 -3.618 1.534 1.00 0.00 C ATOM 195 OH TYR A 15 -17.816 -3.303 1.867 1.00 0.00 O ATOM 0 H TYR A 15 -9.812 -4.153 0.157 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.304 -3.283 -1.192 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.464 -5.505 -0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -11.910 -4.812 1.407 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.699 -4.765 -1.052 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -13.431 -3.657 2.864 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -17.015 -4.205 -0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -15.747 -3.098 3.456 1.00 0.00 H new ATOM 0 HH TYR A 15 -17.849 -2.990 2.795 1.00 0.00 H new ATOM 204 N GLY A 16 -11.963 -1.083 -0.083 1.00 0.00 N ATOM 205 CA GLY A 16 -11.955 0.193 0.607 1.00 0.00 C ATOM 206 C GLY A 16 -10.555 0.714 0.872 1.00 0.00 C ATOM 207 O GLY A 16 -10.152 1.735 0.321 1.00 0.00 O ATOM 0 H GLY A 16 -12.194 -1.028 -1.075 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.503 0.925 0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.484 0.091 1.554 1.00 0.00 H new ATOM 211 N TYR A 17 -9.816 0.004 1.710 1.00 0.00 N ATOM 212 CA TYR A 17 -8.461 0.395 2.070 1.00 0.00 C ATOM 213 C TYR A 17 -7.676 -0.766 2.688 1.00 0.00 C ATOM 214 O TYR A 17 -6.661 -0.552 3.360 1.00 0.00 O ATOM 215 CB TYR A 17 -8.495 1.587 3.036 1.00 0.00 C ATOM 216 CG TYR A 17 -9.521 1.454 4.149 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.334 0.566 5.202 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.681 2.220 4.142 1.00 0.00 C ATOM 219 CE1 TYR A 17 -10.270 0.445 6.212 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.621 2.105 5.151 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.411 1.217 6.183 1.00 0.00 C ATOM 222 OH TYR A 17 -12.342 1.102 7.191 1.00 0.00 O ATOM 0 H TYR A 17 -10.136 -0.855 2.158 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.947 0.686 1.154 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.507 1.710 3.480 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.705 2.494 2.469 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.441 -0.041 5.232 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.852 2.917 3.335 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.108 -0.252 7.021 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.516 2.709 5.129 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.086 1.717 7.021 1.00 0.00 H new ATOM 231 N ILE A 18 -8.140 -1.991 2.462 1.00 0.00 N ATOM 232 CA ILE A 18 -7.465 -3.169 2.994 1.00 0.00 C ATOM 233 C ILE A 18 -6.998 -4.077 1.862 1.00 0.00 C ATOM 234 O ILE A 18 -7.757 -4.377 0.940 1.00 0.00 O ATOM 235 CB ILE A 18 -8.358 -3.978 3.962 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.688 -4.351 3.297 1.00 0.00 C ATOM 237 CG2 ILE A 18 -8.594 -3.197 5.247 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.560 -5.260 4.135 1.00 0.00 C ATOM 0 H ILE A 18 -8.978 -2.193 1.916 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.606 -2.805 3.557 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.839 -4.903 4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.240 -3.438 3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.482 -4.839 2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.225 -3.781 5.917 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.638 -2.996 5.731 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.088 -2.254 5.014 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.482 -5.478 3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.029 -6.190 4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.799 -4.768 5.078 1.00 0.00 H new ATOM 249 N LEU A 19 -5.745 -4.493 1.931 1.00 0.00 N ATOM 250 CA LEU A 19 -5.163 -5.355 0.915 1.00 0.00 C ATOM 251 C LEU A 19 -4.872 -6.724 1.498 1.00 0.00 C ATOM 252 O LEU A 19 -4.016 -6.856 2.363 1.00 0.00 O ATOM 253 CB LEU A 19 -3.845 -4.753 0.412 1.00 0.00 C ATOM 254 CG LEU A 19 -3.630 -4.768 -1.101 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.718 -6.179 -1.655 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.631 -3.860 -1.776 1.00 0.00 C ATOM 0 H LEU A 19 -5.106 -4.245 2.687 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.872 -5.445 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.787 -3.720 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.021 -5.292 0.880 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.626 -4.397 -1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.561 -6.157 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.953 -6.801 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.703 -6.593 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.469 -3.878 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.641 -4.204 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.506 -2.842 -1.407 1.00 0.00 H new ATOM 267 N ARG A 20 -5.562 -7.740 1.035 1.00 0.00 N ATOM 268 CA ARG A 20 -5.306 -9.080 1.520 1.00 0.00 C ATOM 269 C ARG A 20 -4.740 -9.904 0.386 1.00 0.00 C ATOM 270 O ARG A 20 -5.185 -9.779 -0.753 1.00 0.00 O ATOM 271 CB ARG A 20 -6.564 -9.755 2.060 1.00 0.00 C ATOM 272 CG ARG A 20 -6.254 -11.077 2.747 1.00 0.00 C ATOM 273 CD ARG A 20 -7.440 -12.026 2.721 1.00 0.00 C ATOM 274 NE ARG A 20 -8.504 -11.610 3.634 1.00 0.00 N ATOM 275 CZ ARG A 20 -9.154 -12.445 4.441 1.00 0.00 C ATOM 276 NH1 ARG A 20 -8.851 -13.739 4.445 1.00 0.00 N ATOM 277 NH2 ARG A 20 -10.105 -11.985 5.243 1.00 0.00 N ATOM 0 H ARG A 20 -6.297 -7.669 0.331 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.598 -9.010 2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.059 -9.087 2.766 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.262 -9.927 1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.402 -11.549 2.257 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.963 -10.889 3.781 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.836 -12.082 1.707 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.106 -13.029 2.988 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.763 -10.624 3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.119 -14.093 3.829 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.350 -14.378 5.064 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.338 -10.992 5.241 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.604 -12.624 5.862 1.00 0.00 H new ATOM 288 N GLY A 21 -3.758 -10.723 0.690 1.00 0.00 N ATOM 289 CA GLY A 21 -3.156 -11.544 -0.330 1.00 0.00 C ATOM 290 C GLY A 21 -2.434 -12.737 0.243 1.00 0.00 C ATOM 291 O GLY A 21 -2.166 -12.797 1.445 1.00 0.00 O ATOM 0 H GLY A 21 -3.365 -10.836 1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.928 -11.887 -1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.455 -10.943 -0.910 1.00 0.00 H new ATOM 295 N ASP A 22 -2.128 -13.685 -0.618 1.00 0.00 N ATOM 296 CA ASP A 22 -1.416 -14.883 -0.225 1.00 0.00 C ATOM 297 C ASP A 22 0.057 -14.706 -0.528 1.00 0.00 C ATOM 298 O ASP A 22 0.482 -14.805 -1.682 1.00 0.00 O ATOM 299 CB ASP A 22 -1.958 -16.105 -0.969 1.00 0.00 C ATOM 300 CG ASP A 22 -3.297 -16.574 -0.439 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.314 -17.398 0.502 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.338 -16.137 -0.971 1.00 0.00 O ATOM 0 H ASP A 22 -2.366 -13.647 -1.609 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.557 -15.045 0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.056 -15.865 -2.028 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.238 -16.919 -0.892 1.00 0.00 H new ATOM 306 N CYS A 23 0.833 -14.431 0.501 1.00 0.00 N ATOM 307 CA CYS A 23 2.256 -14.231 0.338 1.00 0.00 C ATOM 308 C CYS A 23 3.005 -15.443 0.867 1.00 0.00 C ATOM 309 O CYS A 23 2.731 -15.924 1.963 1.00 0.00 O ATOM 310 CB CYS A 23 2.678 -12.966 1.085 1.00 0.00 C ATOM 311 SG CYS A 23 1.749 -11.476 0.583 1.00 0.00 S ATOM 0 H CYS A 23 0.500 -14.341 1.461 1.00 0.00 H new ATOM 0 HA CYS A 23 2.495 -14.111 -0.719 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.544 -13.124 2.155 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.741 -12.794 0.919 1.00 0.00 H new ATOM 315 N ILE A 24 3.954 -15.930 0.087 1.00 0.00 N ATOM 316 CA ILE A 24 4.722 -17.108 0.462 1.00 0.00 C ATOM 317 C ILE A 24 5.651 -16.810 1.632 1.00 0.00 C ATOM 318 O ILE A 24 6.358 -15.802 1.640 1.00 0.00 O ATOM 319 CB ILE A 24 5.533 -17.648 -0.734 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.592 -17.923 -1.912 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.292 -18.907 -0.346 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.279 -18.491 -3.136 1.00 0.00 C ATOM 0 H ILE A 24 4.213 -15.527 -0.814 1.00 0.00 H new ATOM 0 HA ILE A 24 4.011 -17.874 0.772 1.00 0.00 H new ATOM 0 HB ILE A 24 6.264 -16.897 -1.033 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.817 -18.618 -1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.092 -16.994 -2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.857 -19.270 -1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.978 -18.681 0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.586 -19.673 -0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.543 -18.656 -3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.035 -17.789 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.755 -19.438 -2.880 1.00 0.00 H new ATOM 333 N ASN A 25 5.630 -17.688 2.624 1.00 0.00 N ATOM 334 CA ASN A 25 6.465 -17.526 3.803 1.00 0.00 C ATOM 335 C ASN A 25 7.654 -18.477 3.733 1.00 0.00 C ATOM 336 O ASN A 25 7.869 -19.113 2.702 1.00 0.00 O ATOM 337 CB ASN A 25 5.648 -17.765 5.081 1.00 0.00 C ATOM 338 CG ASN A 25 5.342 -19.224 5.341 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.063 -19.894 6.072 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.277 -19.723 4.744 1.00 0.00 N ATOM 0 H ASN A 25 5.042 -18.521 2.635 1.00 0.00 H new ATOM 0 HA ASN A 25 6.840 -16.503 3.831 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.195 -17.360 5.933 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.711 -17.213 5.012 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.026 -20.702 4.883 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.704 -19.130 4.144 1.00 0.00 H new ATOM 346 N GLU A 26 8.413 -18.587 4.818 1.00 0.00 N ATOM 347 CA GLU A 26 9.580 -19.469 4.854 1.00 0.00 C ATOM 348 C GLU A 26 9.207 -20.917 4.517 1.00 0.00 C ATOM 349 O GLU A 26 10.020 -21.668 3.980 1.00 0.00 O ATOM 350 CB GLU A 26 10.246 -19.413 6.229 1.00 0.00 C ATOM 351 CG GLU A 26 9.296 -19.716 7.376 1.00 0.00 C ATOM 352 CD GLU A 26 10.013 -19.877 8.694 1.00 0.00 C ATOM 353 OE1 GLU A 26 10.434 -21.011 9.005 1.00 0.00 O ATOM 354 OE2 GLU A 26 10.160 -18.877 9.425 1.00 0.00 O ATOM 0 H GLU A 26 8.243 -18.078 5.685 1.00 0.00 H new ATOM 0 HA GLU A 26 10.280 -19.116 4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.071 -20.125 6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.676 -18.422 6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.565 -18.912 7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.742 -20.628 7.154 1.00 0.00 H new ATOM 359 N ASP A 27 7.972 -21.292 4.827 1.00 0.00 N ATOM 360 CA ASP A 27 7.477 -22.640 4.572 1.00 0.00 C ATOM 361 C ASP A 27 7.429 -22.955 3.080 1.00 0.00 C ATOM 362 O ASP A 27 7.511 -24.115 2.678 1.00 0.00 O ATOM 363 CB ASP A 27 6.085 -22.809 5.180 1.00 0.00 C ATOM 364 CG ASP A 27 5.590 -24.234 5.107 1.00 0.00 C ATOM 365 OD1 ASP A 27 6.131 -25.095 5.836 1.00 0.00 O ATOM 366 OD2 ASP A 27 4.663 -24.505 4.324 1.00 0.00 O ATOM 0 H ASP A 27 7.287 -20.673 5.261 1.00 0.00 H new ATOM 0 HA ASP A 27 8.171 -23.339 5.039 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.106 -22.488 6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.383 -22.157 4.660 1.00 0.00 H new ATOM 370 N GLY A 28 7.310 -21.919 2.261 1.00 0.00 N ATOM 371 CA GLY A 28 7.244 -22.120 0.825 1.00 0.00 C ATOM 372 C GLY A 28 5.815 -22.160 0.333 1.00 0.00 C ATOM 373 O GLY A 28 5.555 -22.302 -0.862 1.00 0.00 O ATOM 0 H GLY A 28 7.258 -20.946 2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.781 -21.317 0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.745 -23.052 0.564 1.00 0.00 H new ATOM 377 N HIS A 29 4.887 -22.031 1.266 1.00 0.00 N ATOM 378 CA HIS A 29 3.470 -22.041 0.946 1.00 0.00 C ATOM 379 C HIS A 29 2.882 -20.650 1.148 1.00 0.00 C ATOM 380 O HIS A 29 3.289 -19.919 2.056 1.00 0.00 O ATOM 381 CB HIS A 29 2.726 -23.064 1.813 1.00 0.00 C ATOM 382 CG HIS A 29 3.013 -24.490 1.444 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.049 -25.353 0.964 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.161 -25.205 1.492 1.00 0.00 C ATOM 385 CE1 HIS A 29 2.594 -26.534 0.737 1.00 0.00 C ATOM 386 NE2 HIS A 29 3.874 -26.470 1.049 1.00 0.00 N ATOM 0 H HIS A 29 5.092 -21.917 2.259 1.00 0.00 H new ATOM 0 HA HIS A 29 3.351 -22.329 -0.099 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.996 -22.907 2.857 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.654 -22.885 1.731 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.125 -24.845 1.819 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.079 -27.405 0.360 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.542 -27.237 0.973 1.00 0.00 H new ATOM 394 N PRO A 30 1.947 -20.256 0.274 1.00 0.00 N ATOM 395 CA PRO A 30 1.285 -18.948 0.345 1.00 0.00 C ATOM 396 C PRO A 30 0.466 -18.780 1.626 1.00 0.00 C ATOM 397 O PRO A 30 -0.435 -19.566 1.910 1.00 0.00 O ATOM 398 CB PRO A 30 0.374 -18.935 -0.889 1.00 0.00 C ATOM 399 CG PRO A 30 0.202 -20.364 -1.270 1.00 0.00 C ATOM 400 CD PRO A 30 1.472 -21.053 -0.870 1.00 0.00 C ATOM 0 HA PRO A 30 2.004 -18.129 0.361 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.586 -18.470 -0.664 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.822 -18.363 -1.702 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.657 -20.803 -0.762 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.024 -20.464 -2.341 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.295 -22.091 -0.590 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.198 -21.061 -1.683 1.00 0.00 H new ATOM 405 N HIS A 31 0.790 -17.752 2.390 1.00 0.00 N ATOM 406 CA HIS A 31 0.106 -17.467 3.639 1.00 0.00 C ATOM 407 C HIS A 31 -0.780 -16.239 3.474 1.00 0.00 C ATOM 408 O HIS A 31 -0.344 -15.219 2.940 1.00 0.00 O ATOM 409 CB HIS A 31 1.134 -17.244 4.756 1.00 0.00 C ATOM 410 CG HIS A 31 0.533 -17.036 6.110 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.107 -18.073 6.909 1.00 0.00 N ATOM 412 CD2 HIS A 31 0.295 -15.903 6.808 1.00 0.00 C ATOM 413 CE1 HIS A 31 -0.367 -17.587 8.039 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.261 -16.272 8.006 1.00 0.00 N ATOM 0 H HIS A 31 1.534 -17.092 2.163 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.522 -18.316 3.909 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.803 -18.104 4.796 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.745 -16.377 4.505 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.504 -14.895 6.483 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.773 -18.167 8.854 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.546 -15.635 8.750 1.00 0.00 H new ATOM 422 N ALA A 32 -2.021 -16.342 3.928 1.00 0.00 N ATOM 423 CA ALA A 32 -2.966 -15.241 3.820 1.00 0.00 C ATOM 424 C ALA A 32 -2.653 -14.138 4.821 1.00 0.00 C ATOM 425 O ALA A 32 -2.694 -14.348 6.033 1.00 0.00 O ATOM 426 CB ALA A 32 -4.388 -15.743 4.017 1.00 0.00 C ATOM 0 H ALA A 32 -2.397 -17.178 4.375 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.873 -14.820 2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.084 -14.908 3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.620 -16.486 3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.481 -16.195 5.005 1.00 0.00 H new ATOM 432 N THR A 33 -2.333 -12.968 4.298 1.00 0.00 N ATOM 433 CA THR A 33 -2.016 -11.812 5.118 1.00 0.00 C ATOM 434 C THR A 33 -2.764 -10.598 4.586 1.00 0.00 C ATOM 435 O THR A 33 -3.209 -10.593 3.438 1.00 0.00 O ATOM 436 CB THR A 33 -0.497 -11.529 5.128 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.193 -10.461 6.033 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.008 -11.167 3.737 1.00 0.00 C ATOM 0 H THR A 33 -2.286 -12.792 3.294 1.00 0.00 H new ATOM 0 HA THR A 33 -2.324 -12.021 6.142 1.00 0.00 H new ATOM 0 HB THR A 33 0.011 -12.435 5.457 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.138 -10.832 6.877 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.064 -10.972 3.768 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.207 -11.993 3.055 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.529 -10.275 3.389 1.00 0.00 H new ATOM 446 N SER A 34 -2.906 -9.578 5.411 1.00 0.00 N ATOM 447 CA SER A 34 -3.608 -8.381 5.006 1.00 0.00 C ATOM 448 C SER A 34 -2.860 -7.140 5.452 1.00 0.00 C ATOM 449 O SER A 34 -2.191 -7.144 6.480 1.00 0.00 O ATOM 450 CB SER A 34 -5.015 -8.381 5.588 1.00 0.00 C ATOM 451 OG SER A 34 -4.989 -8.495 7.002 1.00 0.00 O ATOM 0 H SER A 34 -2.544 -9.557 6.364 1.00 0.00 H new ATOM 0 HA SER A 34 -3.670 -8.370 3.918 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.528 -7.462 5.305 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.586 -9.208 5.165 1.00 0.00 H new ATOM 0 HG SER A 34 -5.906 -8.491 7.347 1.00 0.00 H new ATOM 456 N ILE A 35 -2.958 -6.090 4.664 1.00 0.00 N ATOM 457 CA ILE A 35 -2.303 -4.847 4.981 1.00 0.00 C ATOM 458 C ILE A 35 -3.316 -3.712 4.913 1.00 0.00 C ATOM 459 O ILE A 35 -4.199 -3.707 4.058 1.00 0.00 O ATOM 460 CB ILE A 35 -1.126 -4.542 4.022 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.244 -5.778 3.809 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.283 -3.398 4.555 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.621 -6.602 2.593 1.00 0.00 C ATOM 0 H ILE A 35 -3.490 -6.077 3.794 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.893 -4.937 5.987 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.554 -4.254 3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.794 -5.459 3.712 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.301 -6.410 4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.538 -3.200 3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.900 -2.505 4.650 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.119 -3.667 5.532 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.049 -7.458 2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.648 -6.953 2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.536 -5.988 1.697 1.00 0.00 H new ATOM 474 N ASN A 36 -3.191 -2.757 5.810 1.00 0.00 N ATOM 475 CA ASN A 36 -4.110 -1.631 5.849 1.00 0.00 C ATOM 476 C ASN A 36 -3.462 -0.412 5.197 1.00 0.00 C ATOM 477 O ASN A 36 -2.848 0.408 5.875 1.00 0.00 O ATOM 478 CB ASN A 36 -4.493 -1.324 7.297 1.00 0.00 C ATOM 479 CG ASN A 36 -5.855 -0.664 7.433 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.288 0.059 6.414 1.00 0.00 O flip ATOM 481 ND2 ASN A 36 -6.531 -0.824 8.449 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.463 -2.735 6.524 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.015 -1.883 5.296 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.487 -2.251 7.871 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.736 -0.673 7.735 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.170 -1.387 9.219 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.453 -0.393 8.521 1.00 0.00 H new ATOM 487 N LEU A 37 -3.636 -0.290 3.879 1.00 0.00 N ATOM 488 CA LEU A 37 -3.044 0.810 3.103 1.00 0.00 C ATOM 489 C LEU A 37 -3.419 2.168 3.676 1.00 0.00 C ATOM 490 O LEU A 37 -2.666 3.128 3.549 1.00 0.00 O ATOM 491 CB LEU A 37 -3.489 0.784 1.630 1.00 0.00 C ATOM 492 CG LEU A 37 -3.284 -0.519 0.850 1.00 0.00 C ATOM 493 CD1 LEU A 37 -1.960 -1.183 1.201 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.450 -1.461 1.080 1.00 0.00 C ATOM 0 H LEU A 37 -4.186 -0.943 3.321 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.966 0.663 3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.550 1.033 1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.958 1.577 1.104 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.245 -0.272 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.851 -2.104 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.139 -0.507 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.940 -1.414 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.290 -2.382 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.527 -1.692 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.372 -0.987 0.744 1.00 0.00 H new ATOM 505 N ASN A 38 -4.587 2.241 4.300 1.00 0.00 N ATOM 506 CA ASN A 38 -5.078 3.490 4.877 1.00 0.00 C ATOM 507 C ASN A 38 -4.055 4.122 5.814 1.00 0.00 C ATOM 508 O ASN A 38 -3.920 5.336 5.854 1.00 0.00 O ATOM 509 CB ASN A 38 -6.388 3.257 5.638 1.00 0.00 C ATOM 510 CG ASN A 38 -7.003 4.541 6.174 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.634 5.024 7.243 1.00 0.00 O ATOM 512 ND2 ASN A 38 -7.970 5.087 5.448 1.00 0.00 N ATOM 0 H ASN A 38 -5.216 1.447 4.421 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.255 4.176 4.048 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.103 2.767 4.977 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.203 2.576 6.468 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.434 5.936 5.772 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.250 4.658 4.566 1.00 0.00 H new ATOM 518 N TYR A 39 -3.317 3.300 6.542 1.00 0.00 N ATOM 519 CA TYR A 39 -2.333 3.820 7.482 1.00 0.00 C ATOM 520 C TYR A 39 -0.919 3.753 6.916 1.00 0.00 C ATOM 521 O TYR A 39 0.052 3.929 7.650 1.00 0.00 O ATOM 522 CB TYR A 39 -2.396 3.050 8.802 1.00 0.00 C ATOM 523 CG TYR A 39 -3.756 3.080 9.465 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.334 4.280 9.863 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.459 1.905 9.695 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.576 4.306 10.467 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.700 1.924 10.300 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.255 3.126 10.685 1.00 0.00 C ATOM 529 OH TYR A 39 -7.492 3.145 11.290 1.00 0.00 O ATOM 0 H TYR A 39 -3.377 2.283 6.503 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.577 4.867 7.660 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.114 2.013 8.620 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.658 3.465 9.489 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.804 5.206 9.697 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.028 0.961 9.396 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.013 5.247 10.767 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.234 1.001 10.471 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.833 2.229 11.367 1.00 0.00 H new ATOM 538 N TYR A 40 -0.797 3.496 5.619 1.00 0.00 N ATOM 539 CA TYR A 40 0.521 3.411 4.997 1.00 0.00 C ATOM 540 C TYR A 40 0.654 4.335 3.796 1.00 0.00 C ATOM 541 O TYR A 40 1.761 4.728 3.446 1.00 0.00 O ATOM 542 CB TYR A 40 0.846 1.969 4.599 1.00 0.00 C ATOM 543 CG TYR A 40 0.883 1.018 5.778 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.758 1.226 6.839 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.040 -0.079 5.831 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.787 0.362 7.918 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.064 -0.947 6.904 1.00 0.00 C ATOM 548 CZ TYR A 40 0.936 -0.724 7.945 1.00 0.00 C ATOM 549 OH TYR A 40 0.957 -1.594 9.012 1.00 0.00 O ATOM 0 H TYR A 40 -1.581 3.345 4.985 1.00 0.00 H new ATOM 0 HA TYR A 40 1.243 3.742 5.743 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.102 1.620 3.883 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.811 1.947 4.093 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.425 2.075 6.820 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.648 -0.259 5.019 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.472 0.536 8.735 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.600 -1.799 6.926 1.00 0.00 H new ATOM 0 HH TYR A 40 0.294 -2.302 8.870 1.00 0.00 H new ATOM 558 N ILE A 41 -0.463 4.696 3.184 1.00 0.00 N ATOM 559 CA ILE A 41 -0.458 5.578 2.024 1.00 0.00 C ATOM 560 C ILE A 41 -1.140 6.895 2.372 1.00 0.00 C ATOM 561 O ILE A 41 -2.132 6.913 3.107 1.00 0.00 O ATOM 562 CB ILE A 41 -1.166 4.943 0.804 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.268 3.923 0.107 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.605 6.005 -0.190 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.204 2.587 0.797 1.00 0.00 C ATOM 0 H ILE A 41 -1.392 4.390 3.473 1.00 0.00 H new ATOM 0 HA ILE A 41 0.584 5.751 1.754 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.050 4.427 1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.626 3.777 -0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.740 4.331 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.099 5.529 -1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.298 6.693 0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.733 6.556 -0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.454 1.921 0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.184 2.717 1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.203 2.154 0.845 1.00 0.00 H new ATOM 576 N GLY A 42 -0.600 7.990 1.857 1.00 0.00 N ATOM 577 CA GLY A 42 -1.171 9.289 2.137 1.00 0.00 C ATOM 578 C GLY A 42 -1.747 9.963 0.910 1.00 0.00 C ATOM 579 O GLY A 42 -1.526 9.523 -0.219 1.00 0.00 O ATOM 0 H GLY A 42 0.221 8.001 1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.955 9.180 2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.404 9.931 2.570 1.00 0.00 H new ATOM 583 N ASN A 43 -2.476 11.043 1.143 1.00 0.00 N ATOM 584 CA ASN A 43 -3.107 11.801 0.066 1.00 0.00 C ATOM 585 C ASN A 43 -2.563 13.222 -0.003 1.00 0.00 C ATOM 586 O ASN A 43 -2.812 14.049 0.882 1.00 0.00 O ATOM 587 CB ASN A 43 -4.630 11.825 0.242 1.00 0.00 C ATOM 588 CG ASN A 43 -5.327 12.787 -0.712 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.825 13.098 -1.794 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.507 13.249 -0.329 1.00 0.00 N ATOM 0 H ASN A 43 -2.648 11.419 2.075 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.870 11.301 -0.873 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.023 10.820 0.087 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.867 12.105 1.268 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.028 13.882 -0.936 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.895 12.972 0.573 1.00 0.00 H new ATOM 596 N ASP A 44 -1.815 13.489 -1.060 1.00 0.00 N ATOM 597 CA ASP A 44 -1.228 14.801 -1.287 1.00 0.00 C ATOM 598 C ASP A 44 -1.889 15.458 -2.488 1.00 0.00 C ATOM 599 O ASP A 44 -1.703 15.020 -3.624 1.00 0.00 O ATOM 600 CB ASP A 44 0.289 14.674 -1.484 1.00 0.00 C ATOM 601 CG ASP A 44 0.974 16.012 -1.688 1.00 0.00 C ATOM 602 OD1 ASP A 44 0.669 16.967 -0.940 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.843 16.107 -2.586 1.00 0.00 O ATOM 0 H ASP A 44 -1.597 12.805 -1.784 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.400 15.432 -0.415 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.722 14.179 -0.615 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.486 14.036 -2.346 1.00 0.00 H new ATOM 607 N ASN A 45 -2.691 16.485 -2.205 1.00 0.00 N ATOM 608 CA ASN A 45 -3.427 17.259 -3.210 1.00 0.00 C ATOM 609 C ASN A 45 -4.168 16.372 -4.217 1.00 0.00 C ATOM 610 O ASN A 45 -4.102 16.574 -5.433 1.00 0.00 O ATOM 611 CB ASN A 45 -2.521 18.304 -3.896 1.00 0.00 C ATOM 612 CG ASN A 45 -1.379 17.736 -4.727 1.00 0.00 C ATOM 613 OD1 ASN A 45 -0.289 17.495 -4.217 1.00 0.00 O ATOM 614 ND2 ASN A 45 -1.607 17.563 -6.016 1.00 0.00 N ATOM 0 H ASN A 45 -2.852 16.810 -1.252 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.202 17.809 -2.677 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.140 18.929 -4.540 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.101 18.954 -3.129 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.864 17.218 -6.624 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.526 17.774 -6.404 1.00 0.00 H new ATOM 620 N GLY A 46 -4.895 15.392 -3.688 1.00 0.00 N ATOM 621 CA GLY A 46 -5.676 14.499 -4.520 1.00 0.00 C ATOM 622 C GLY A 46 -4.853 13.422 -5.198 1.00 0.00 C ATOM 623 O GLY A 46 -5.326 12.776 -6.132 1.00 0.00 O ATOM 0 H GLY A 46 -4.956 15.201 -2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.444 14.026 -3.908 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.191 15.084 -5.282 1.00 0.00 H new ATOM 627 N ARG A 47 -3.629 13.222 -4.736 1.00 0.00 N ATOM 628 CA ARG A 47 -2.750 12.221 -5.325 1.00 0.00 C ATOM 629 C ARG A 47 -2.247 11.233 -4.281 1.00 0.00 C ATOM 630 O ARG A 47 -2.079 11.577 -3.109 1.00 0.00 O ATOM 631 CB ARG A 47 -1.574 12.902 -6.021 1.00 0.00 C ATOM 632 CG ARG A 47 -1.592 12.746 -7.530 1.00 0.00 C ATOM 633 CD ARG A 47 -2.909 13.211 -8.139 1.00 0.00 C ATOM 634 NE ARG A 47 -3.210 14.602 -7.813 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.455 15.541 -8.718 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.358 15.263 -10.014 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.798 16.759 -8.322 1.00 0.00 N ATOM 0 H ARG A 47 -3.221 13.738 -3.956 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.326 11.659 -6.060 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.580 13.963 -5.773 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.643 12.489 -5.632 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.771 13.318 -7.963 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.423 11.701 -7.788 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.867 13.095 -9.222 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.717 12.573 -7.781 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.233 14.868 -6.829 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.094 14.325 -10.316 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.547 15.988 -10.707 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.872 16.970 -7.327 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.988 17.485 -9.013 1.00 0.00 H new ATOM 648 N LEU A 48 -2.000 10.008 -4.726 1.00 0.00 N ATOM 649 CA LEU A 48 -1.521 8.943 -3.858 1.00 0.00 C ATOM 650 C LEU A 48 -0.018 9.051 -3.641 1.00 0.00 C ATOM 651 O LEU A 48 0.761 9.082 -4.596 1.00 0.00 O ATOM 652 CB LEU A 48 -1.864 7.572 -4.462 1.00 0.00 C ATOM 653 CG LEU A 48 -3.221 6.984 -4.065 1.00 0.00 C ATOM 654 CD1 LEU A 48 -4.351 7.926 -4.426 1.00 0.00 C ATOM 655 CD2 LEU A 48 -3.426 5.635 -4.733 1.00 0.00 C ATOM 0 H LEU A 48 -2.126 9.726 -5.698 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.017 9.045 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.831 7.657 -5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.086 6.865 -4.174 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.227 6.848 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.302 7.482 -4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.216 8.873 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.349 8.101 -5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.395 5.228 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.394 5.757 -5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.637 4.951 -4.421 1.00 0.00 H new ATOM 666 N GLU A 49 0.372 9.136 -2.383 1.00 0.00 N ATOM 667 CA GLU A 49 1.773 9.216 -2.004 1.00 0.00 C ATOM 668 C GLU A 49 2.142 7.969 -1.220 1.00 0.00 C ATOM 669 O GLU A 49 1.396 7.572 -0.320 1.00 0.00 O ATOM 670 CB GLU A 49 2.020 10.477 -1.169 1.00 0.00 C ATOM 671 CG GLU A 49 3.402 10.555 -0.533 1.00 0.00 C ATOM 672 CD GLU A 49 4.529 10.720 -1.536 1.00 0.00 C ATOM 673 OE1 GLU A 49 4.245 10.936 -2.734 1.00 0.00 O ATOM 674 OE2 GLU A 49 5.708 10.651 -1.123 1.00 0.00 O ATOM 0 H GLU A 49 -0.273 9.152 -1.593 1.00 0.00 H new ATOM 0 HA GLU A 49 2.397 9.275 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.877 11.351 -1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.268 10.528 -0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.424 11.392 0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.576 9.650 0.049 1.00 0.00 H new ATOM 679 N TYR A 50 3.267 7.344 -1.594 1.00 0.00 N ATOM 680 CA TYR A 50 3.751 6.127 -0.956 1.00 0.00 C ATOM 681 C TYR A 50 3.517 6.091 0.450 1.00 0.00 C ATOM 682 O TYR A 50 2.686 5.294 0.879 1.00 0.00 O ATOM 683 CB TYR A 50 5.211 5.777 -1.249 1.00 0.00 C ATOM 684 CG TYR A 50 6.014 6.758 -2.093 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.655 7.059 -3.401 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.161 7.354 -1.582 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.406 7.928 -4.169 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.918 8.216 -2.347 1.00 0.00 C ATOM 689 CZ TYR A 50 7.537 8.501 -3.637 1.00 0.00 C ATOM 690 OH TYR A 50 8.301 9.353 -4.402 1.00 0.00 O ATOM 0 H TYR A 50 3.864 7.675 -2.351 1.00 0.00 H new ATOM 0 HA TYR A 50 3.143 5.356 -1.429 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.725 5.654 -0.296 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.231 4.809 -1.749 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.772 6.605 -3.826 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.465 7.138 -0.568 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.106 8.156 -5.181 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.808 8.666 -1.934 1.00 0.00 H new ATOM 0 HH TYR A 50 9.063 9.671 -3.875 1.00 0.00 H new ATOM 699 N PRO A 51 4.161 6.846 1.248 1.00 0.00 N ATOM 700 CA PRO A 51 3.852 6.654 2.542 1.00 0.00 C ATOM 701 C PRO A 51 3.076 7.792 3.146 1.00 0.00 C ATOM 702 O PRO A 51 3.463 8.960 3.099 1.00 0.00 O ATOM 703 CB PRO A 51 5.199 6.472 3.099 1.00 0.00 C ATOM 704 CG PRO A 51 6.031 7.497 2.370 1.00 0.00 C ATOM 705 CD PRO A 51 5.287 7.758 1.077 1.00 0.00 C ATOM 0 HA PRO A 51 3.175 5.822 2.737 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.212 6.639 4.176 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.569 5.461 2.928 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.136 8.410 2.956 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.037 7.124 2.178 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.972 8.797 0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.885 7.522 0.197 1.00 0.00 H new ATOM 710 N GLY A 52 1.989 7.429 3.719 1.00 0.00 N ATOM 711 CA GLY A 52 1.122 8.400 4.297 1.00 0.00 C ATOM 712 C GLY A 52 0.199 7.815 5.330 1.00 0.00 C ATOM 713 O GLY A 52 0.449 6.725 5.842 1.00 0.00 O ATOM 0 H GLY A 52 1.673 6.463 3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.720 9.188 4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.530 8.866 3.510 1.00 0.00 H new ATOM 717 N GLU A 53 -0.875 8.534 5.615 1.00 0.00 N ATOM 718 CA GLU A 53 -1.857 8.101 6.598 1.00 0.00 C ATOM 719 C GLU A 53 -3.231 8.689 6.295 1.00 0.00 C ATOM 720 O GLU A 53 -3.346 9.854 5.912 1.00 0.00 O ATOM 721 CB GLU A 53 -1.432 8.518 8.013 1.00 0.00 C ATOM 722 CG GLU A 53 -0.262 7.724 8.569 1.00 0.00 C ATOM 723 CD GLU A 53 0.215 8.245 9.907 1.00 0.00 C ATOM 724 OE1 GLU A 53 -0.465 7.993 10.925 1.00 0.00 O ATOM 725 OE2 GLU A 53 1.279 8.903 9.949 1.00 0.00 O ATOM 0 H GLU A 53 -1.090 9.429 5.175 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.915 7.014 6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.168 9.576 8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.284 8.407 8.684 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.555 6.679 8.674 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.563 7.754 7.857 1.00 0.00 H new ATOM 730 N SER A 54 -4.255 7.859 6.457 1.00 0.00 N ATOM 731 CA SER A 54 -5.642 8.243 6.256 1.00 0.00 C ATOM 732 C SER A 54 -5.943 8.743 4.839 1.00 0.00 C ATOM 733 O SER A 54 -6.661 9.728 4.671 1.00 0.00 O ATOM 734 CB SER A 54 -6.032 9.303 7.282 1.00 0.00 C ATOM 735 OG SER A 54 -5.683 8.900 8.599 1.00 0.00 O ATOM 0 H SER A 54 -4.140 6.885 6.736 1.00 0.00 H new ATOM 0 HA SER A 54 -6.240 7.342 6.392 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.535 10.243 7.043 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.105 9.487 7.228 1.00 0.00 H new ATOM 0 HG SER A 54 -5.943 9.599 9.235 1.00 0.00 H new ATOM 740 N PHE A 55 -5.412 8.075 3.817 1.00 0.00 N ATOM 741 CA PHE A 55 -5.702 8.488 2.445 1.00 0.00 C ATOM 742 C PHE A 55 -7.146 8.114 2.109 1.00 0.00 C ATOM 743 O PHE A 55 -7.859 8.868 1.460 1.00 0.00 O ATOM 744 CB PHE A 55 -4.729 7.858 1.427 1.00 0.00 C ATOM 745 CG PHE A 55 -5.055 6.440 1.036 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.739 5.384 1.870 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.683 6.171 -0.171 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.044 4.087 1.510 1.00 0.00 C ATOM 749 CE2 PHE A 55 -5.991 4.875 -0.535 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.670 3.831 0.306 1.00 0.00 C ATOM 0 H PHE A 55 -4.795 7.267 3.907 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.569 9.568 2.377 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.717 8.474 0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.722 7.883 1.844 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.248 5.576 2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.934 6.985 -0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.793 3.271 2.171 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.482 4.680 -1.477 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.907 2.816 0.024 1.00 0.00 H new ATOM 759 N GLY A 56 -7.589 6.969 2.633 1.00 0.00 N ATOM 760 CA GLY A 56 -8.940 6.485 2.382 1.00 0.00 C ATOM 761 C GLY A 56 -9.991 7.443 2.898 1.00 0.00 C ATOM 762 O GLY A 56 -11.159 7.381 2.513 1.00 0.00 O ATOM 0 H GLY A 56 -7.029 6.363 3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.079 6.337 1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.071 5.513 2.858 1.00 0.00 H new ATOM 766 N SER A 57 -9.562 8.324 3.781 1.00 0.00 N ATOM 767 CA SER A 57 -10.430 9.319 4.372 1.00 0.00 C ATOM 768 C SER A 57 -10.809 10.402 3.355 1.00 0.00 C ATOM 769 O SER A 57 -11.719 11.199 3.595 1.00 0.00 O ATOM 770 CB SER A 57 -9.721 9.922 5.580 1.00 0.00 C ATOM 771 OG SER A 57 -9.400 8.912 6.523 1.00 0.00 O ATOM 0 H SER A 57 -8.597 8.368 4.109 1.00 0.00 H new ATOM 0 HA SER A 57 -11.360 8.848 4.690 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.812 10.430 5.259 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.359 10.673 6.046 1.00 0.00 H new ATOM 0 HG SER A 57 -9.403 9.294 7.425 1.00 0.00 H new ATOM 776 N SER A 58 -10.110 10.430 2.225 1.00 0.00 N ATOM 777 CA SER A 58 -10.389 11.403 1.175 1.00 0.00 C ATOM 778 C SER A 58 -10.171 10.795 -0.214 1.00 0.00 C ATOM 779 O SER A 58 -10.124 11.512 -1.218 1.00 0.00 O ATOM 780 CB SER A 58 -9.515 12.645 1.364 1.00 0.00 C ATOM 781 OG SER A 58 -8.180 12.291 1.695 1.00 0.00 O ATOM 0 H SER A 58 -9.345 9.789 2.013 1.00 0.00 H new ATOM 0 HA SER A 58 -11.436 11.695 1.248 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.520 13.238 0.450 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.934 13.270 2.152 1.00 0.00 H new ATOM 0 HG SER A 58 -7.913 11.503 1.178 1.00 0.00 H new ATOM 786 N CYS A 59 -10.053 9.470 -0.266 1.00 0.00 N ATOM 787 CA CYS A 59 -9.833 8.761 -1.517 1.00 0.00 C ATOM 788 C CYS A 59 -10.881 7.675 -1.721 1.00 0.00 C ATOM 789 O CYS A 59 -11.385 7.099 -0.755 1.00 0.00 O ATOM 790 CB CYS A 59 -8.448 8.117 -1.524 1.00 0.00 C ATOM 791 SG CYS A 59 -7.073 9.279 -1.264 1.00 0.00 S ATOM 0 H CYS A 59 -10.107 8.865 0.553 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.909 9.487 -2.326 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.413 7.353 -0.747 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.302 7.609 -2.477 1.00 0.00 H new ATOM 795 N VAL A 60 -11.201 7.399 -2.979 1.00 0.00 N ATOM 796 CA VAL A 60 -12.174 6.369 -3.331 1.00 0.00 C ATOM 797 C VAL A 60 -11.708 5.605 -4.570 1.00 0.00 C ATOM 798 O VAL A 60 -10.701 5.970 -5.179 1.00 0.00 O ATOM 799 CB VAL A 60 -13.576 6.962 -3.606 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.199 7.513 -2.330 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.497 8.043 -4.673 1.00 0.00 C ATOM 0 H VAL A 60 -10.796 7.880 -3.782 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.248 5.696 -2.477 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.216 6.159 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.184 7.923 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.298 6.712 -1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.562 8.299 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.492 8.449 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.836 8.841 -4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.107 7.615 -5.596 1.00 0.00 H new ATOM 811 N LYS A 61 -12.448 4.553 -4.935 1.00 0.00 N ATOM 812 CA LYS A 61 -12.127 3.728 -6.111 1.00 0.00 C ATOM 813 C LYS A 61 -10.794 3.010 -5.937 1.00 0.00 C ATOM 814 O LYS A 61 -10.012 2.893 -6.881 1.00 0.00 O ATOM 815 CB LYS A 61 -12.104 4.573 -7.395 1.00 0.00 C ATOM 816 CG LYS A 61 -13.476 4.805 -8.021 1.00 0.00 C ATOM 817 CD LYS A 61 -14.417 5.540 -7.082 1.00 0.00 C ATOM 818 CE LYS A 61 -15.811 5.666 -7.674 1.00 0.00 C ATOM 819 NZ LYS A 61 -16.764 6.278 -6.713 1.00 0.00 N ATOM 0 H LYS A 61 -13.280 4.249 -4.430 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.914 2.979 -6.202 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.652 5.539 -7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.462 4.082 -8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.362 5.379 -8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.915 3.846 -8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.471 5.010 -6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.019 6.533 -6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.768 6.272 -8.579 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.172 4.680 -7.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.704 6.347 -7.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.824 5.687 -5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.432 7.229 -6.453 1.00 0.00 H new ATOM 829 N THR A 62 -10.549 2.529 -4.729 1.00 0.00 N ATOM 830 CA THR A 62 -9.319 1.819 -4.407 1.00 0.00 C ATOM 831 C THR A 62 -9.229 0.458 -5.109 1.00 0.00 C ATOM 832 O THR A 62 -10.082 -0.412 -4.913 1.00 0.00 O ATOM 833 CB THR A 62 -9.208 1.604 -2.885 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.503 1.334 -2.336 1.00 0.00 O ATOM 835 CG2 THR A 62 -8.610 2.813 -2.188 1.00 0.00 C ATOM 0 H THR A 62 -11.195 2.619 -3.945 1.00 0.00 H new ATOM 0 HA THR A 62 -8.497 2.440 -4.763 1.00 0.00 H new ATOM 0 HB THR A 62 -8.546 0.754 -2.720 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.522 1.604 -1.394 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.549 2.622 -1.117 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.611 3.002 -2.581 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.241 3.684 -2.366 1.00 0.00 H new ATOM 843 N ALA A 63 -8.188 0.277 -5.916 1.00 0.00 N ATOM 844 CA ALA A 63 -7.964 -0.980 -6.624 1.00 0.00 C ATOM 845 C ALA A 63 -6.470 -1.230 -6.779 1.00 0.00 C ATOM 846 O ALA A 63 -5.665 -0.310 -6.635 1.00 0.00 O ATOM 847 CB ALA A 63 -8.652 -0.978 -7.979 1.00 0.00 C ATOM 0 H ALA A 63 -7.482 0.990 -6.097 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.398 -1.788 -6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.467 -1.927 -8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.725 -0.843 -7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.258 -0.163 -8.586 1.00 0.00 H new ATOM 853 N LEU A 64 -6.100 -2.472 -7.067 1.00 0.00 N ATOM 854 CA LEU A 64 -4.695 -2.834 -7.215 1.00 0.00 C ATOM 855 C LEU A 64 -4.391 -3.354 -8.619 1.00 0.00 C ATOM 856 O LEU A 64 -4.850 -4.429 -9.008 1.00 0.00 O ATOM 857 CB LEU A 64 -4.322 -3.892 -6.167 1.00 0.00 C ATOM 858 CG LEU A 64 -3.311 -3.447 -5.103 1.00 0.00 C ATOM 859 CD1 LEU A 64 -1.917 -3.360 -5.692 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.706 -2.103 -4.518 1.00 0.00 C ATOM 0 H LEU A 64 -6.752 -3.245 -7.203 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.096 -1.937 -7.060 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.233 -4.215 -5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.918 -4.762 -6.684 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.311 -4.192 -4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.215 -3.043 -4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.621 -4.338 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.911 -2.637 -6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.976 -1.805 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.735 -1.356 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.691 -2.182 -4.057 1.00 0.00 H new ATOM 871 N ASN A 65 -3.602 -2.588 -9.363 1.00 0.00 N ATOM 872 CA ASN A 65 -3.203 -2.949 -10.717 1.00 0.00 C ATOM 873 C ASN A 65 -2.123 -4.011 -10.673 1.00 0.00 C ATOM 874 O ASN A 65 -1.054 -3.781 -10.098 1.00 0.00 O ATOM 875 CB ASN A 65 -2.650 -1.730 -11.460 1.00 0.00 C ATOM 876 CG ASN A 65 -3.652 -0.607 -11.590 1.00 0.00 C ATOM 877 OD1 ASN A 65 -3.809 0.202 -10.680 1.00 0.00 O ATOM 878 ND2 ASN A 65 -4.321 -0.533 -12.727 1.00 0.00 N ATOM 0 H ASN A 65 -3.220 -1.698 -9.043 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.083 -3.327 -11.237 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.768 -1.362 -10.936 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.325 -2.035 -12.455 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.997 0.217 -12.873 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.161 -1.225 -13.459 1.00 0.00 H new ATOM 884 N ASP A 66 -2.425 -5.179 -11.241 1.00 0.00 N ATOM 885 CA ASP A 66 -1.487 -6.305 -11.302 1.00 0.00 C ATOM 886 C ASP A 66 -0.963 -6.680 -9.911 1.00 0.00 C ATOM 887 O ASP A 66 0.070 -7.334 -9.766 1.00 0.00 O ATOM 888 CB ASP A 66 -0.330 -5.964 -12.247 1.00 0.00 C ATOM 889 CG ASP A 66 0.497 -7.175 -12.631 1.00 0.00 C ATOM 890 OD1 ASP A 66 -0.029 -8.058 -13.338 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.680 -7.245 -12.234 1.00 0.00 O ATOM 0 H ASP A 66 -3.328 -5.373 -11.673 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.020 -7.174 -11.689 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.730 -5.502 -13.150 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.316 -5.226 -11.771 1.00 0.00 H new ATOM 895 N GLY A 67 -1.691 -6.259 -8.886 1.00 0.00 N ATOM 896 CA GLY A 67 -1.303 -6.551 -7.521 1.00 0.00 C ATOM 897 C GLY A 67 0.006 -5.897 -7.109 1.00 0.00 C ATOM 898 O GLY A 67 0.734 -6.445 -6.289 1.00 0.00 O ATOM 0 H GLY A 67 -2.550 -5.716 -8.977 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.093 -6.219 -6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.214 -7.631 -7.400 1.00 0.00 H new ATOM 902 N HIS A 68 0.318 -4.733 -7.676 1.00 0.00 N ATOM 903 CA HIS A 68 1.556 -4.034 -7.315 1.00 0.00 C ATOM 904 C HIS A 68 1.357 -2.520 -7.258 1.00 0.00 C ATOM 905 O HIS A 68 2.074 -1.819 -6.546 1.00 0.00 O ATOM 906 CB HIS A 68 2.708 -4.391 -8.276 1.00 0.00 C ATOM 907 CG HIS A 68 2.666 -3.723 -9.623 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.580 -2.767 -10.012 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.846 -3.901 -10.682 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.321 -2.389 -11.248 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.272 -3.060 -11.681 1.00 0.00 N ATOM 0 H HIS A 68 -0.255 -4.259 -8.374 1.00 0.00 H new ATOM 0 HA HIS A 68 1.829 -4.374 -6.316 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.651 -4.135 -7.794 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.710 -5.471 -8.426 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.339 -2.408 -9.433 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.008 -4.581 -10.734 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.875 -1.653 -11.811 1.00 0.00 H new ATOM 919 N THR A 69 0.386 -2.021 -8.003 1.00 0.00 N ATOM 920 CA THR A 69 0.106 -0.599 -8.037 1.00 0.00 C ATOM 921 C THR A 69 -1.287 -0.290 -7.493 1.00 0.00 C ATOM 922 O THR A 69 -2.267 -0.891 -7.911 1.00 0.00 O ATOM 923 CB THR A 69 0.214 -0.079 -9.480 1.00 0.00 C ATOM 924 OG1 THR A 69 1.581 -0.104 -9.914 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.359 1.321 -9.615 1.00 0.00 C ATOM 0 H THR A 69 -0.224 -2.585 -8.595 1.00 0.00 H new ATOM 0 HA THR A 69 0.841 -0.101 -7.404 1.00 0.00 H new ATOM 0 HB THR A 69 -0.375 -0.739 -10.117 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.910 0.814 -10.013 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.265 1.655 -10.648 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.411 1.312 -9.331 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.187 2.002 -8.963 1.00 0.00 H new ATOM 933 N LEU A 70 -1.367 0.632 -6.554 1.00 0.00 N ATOM 934 CA LEU A 70 -2.649 1.032 -5.991 1.00 0.00 C ATOM 935 C LEU A 70 -3.194 2.234 -6.740 1.00 0.00 C ATOM 936 O LEU A 70 -2.487 3.212 -6.946 1.00 0.00 O ATOM 937 CB LEU A 70 -2.505 1.353 -4.499 1.00 0.00 C ATOM 938 CG LEU A 70 -3.630 2.191 -3.874 1.00 0.00 C ATOM 939 CD1 LEU A 70 -4.966 1.471 -3.951 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.294 2.533 -2.431 1.00 0.00 C ATOM 0 H LEU A 70 -0.562 1.120 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.350 0.204 -6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.433 0.413 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.563 1.880 -4.351 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.716 3.115 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.740 2.092 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.217 1.280 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.901 0.525 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.100 3.127 -2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.175 1.614 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.366 3.104 -2.399 1.00 0.00 H new ATOM 951 N THR A 71 -4.438 2.148 -7.165 1.00 0.00 N ATOM 952 CA THR A 71 -5.071 3.241 -7.873 1.00 0.00 C ATOM 953 C THR A 71 -6.293 3.721 -7.123 1.00 0.00 C ATOM 954 O THR A 71 -7.131 2.920 -6.705 1.00 0.00 O ATOM 955 CB THR A 71 -5.487 2.853 -9.300 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.735 1.443 -9.387 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.426 3.270 -10.301 1.00 0.00 C ATOM 0 H THR A 71 -5.032 1.330 -7.032 1.00 0.00 H new ATOM 0 HA THR A 71 -4.330 4.038 -7.938 1.00 0.00 H new ATOM 0 HB THR A 71 -6.410 3.380 -9.541 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.229 1.068 -10.138 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.741 2.986 -11.305 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.288 4.350 -10.256 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.485 2.774 -10.062 1.00 0.00 H new ATOM 965 N ALA A 72 -6.369 5.019 -6.926 1.00 0.00 N ATOM 966 CA ALA A 72 -7.498 5.615 -6.242 1.00 0.00 C ATOM 967 C ALA A 72 -7.617 7.084 -6.594 1.00 0.00 C ATOM 968 O ALA A 72 -6.646 7.717 -7.004 1.00 0.00 O ATOM 969 CB ALA A 72 -7.375 5.432 -4.739 1.00 0.00 C ATOM 0 H ALA A 72 -5.659 5.685 -7.231 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.405 5.108 -6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.234 5.887 -4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.343 4.368 -4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.460 5.909 -4.388 1.00 0.00 H new ATOM 975 N SER A 73 -8.812 7.614 -6.445 1.00 0.00 N ATOM 976 CA SER A 73 -9.064 9.008 -6.739 1.00 0.00 C ATOM 977 C SER A 73 -9.229 9.768 -5.434 1.00 0.00 C ATOM 978 O SER A 73 -10.049 9.392 -4.593 1.00 0.00 O ATOM 979 CB SER A 73 -10.316 9.142 -7.606 1.00 0.00 C ATOM 980 OG SER A 73 -10.418 10.443 -8.141 1.00 0.00 O ATOM 0 H SER A 73 -9.629 7.097 -6.120 1.00 0.00 H new ATOM 0 HA SER A 73 -8.223 9.427 -7.292 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.283 8.413 -8.415 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.201 8.918 -7.011 1.00 0.00 H new ATOM 0 HG SER A 73 -11.274 10.840 -7.875 1.00 0.00 H new ATOM 985 N CYS A 74 -8.451 10.821 -5.255 1.00 0.00 N ATOM 986 CA CYS A 74 -8.506 11.593 -4.026 1.00 0.00 C ATOM 987 C CYS A 74 -8.820 13.058 -4.276 1.00 0.00 C ATOM 988 O CYS A 74 -8.508 13.607 -5.335 1.00 0.00 O ATOM 989 CB CYS A 74 -7.170 11.496 -3.303 1.00 0.00 C ATOM 990 SG CYS A 74 -6.542 9.803 -3.141 1.00 0.00 S ATOM 0 H CYS A 74 -7.777 11.160 -5.941 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.309 11.175 -3.419 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.434 12.096 -3.838 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.274 11.931 -2.309 1.00 0.00 H new ATOM 994 N LYS A 75 -9.459 13.676 -3.292 1.00 0.00 N ATOM 995 CA LYS A 75 -9.796 15.087 -3.349 1.00 0.00 C ATOM 996 C LYS A 75 -8.777 15.878 -2.534 1.00 0.00 C ATOM 997 O LYS A 75 -8.231 15.368 -1.553 1.00 0.00 O ATOM 998 CB LYS A 75 -11.223 15.322 -2.819 1.00 0.00 C ATOM 999 CG LYS A 75 -11.612 16.792 -2.697 1.00 0.00 C ATOM 1000 CD LYS A 75 -11.310 17.333 -1.307 1.00 0.00 C ATOM 1001 CE LYS A 75 -11.337 18.847 -1.270 1.00 0.00 C ATOM 1002 NZ LYS A 75 -11.237 19.370 0.116 1.00 0.00 N ATOM 0 H LYS A 75 -9.757 13.212 -2.434 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.766 15.427 -4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.931 14.825 -3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.317 14.851 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.071 17.376 -3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.674 16.908 -2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.039 16.940 -0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.330 16.980 -0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.513 19.239 -1.866 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.260 19.205 -1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.259 20.410 0.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.037 19.017 0.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.345 19.050 0.544 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.509 17.114 -2.939 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.566 17.933 -2.201 1.00 0.00 C ATOM 1014 C GLY A 76 -6.757 18.851 -3.088 1.00 0.00 C ATOM 1015 O GLY A 76 -6.091 19.761 -2.608 1.00 0.00 O ATOM 0 H GLY A 76 -8.923 17.560 -3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.109 18.531 -1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.889 17.285 -1.645 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.794 18.595 -4.382 1.00 0.00 N ATOM 1020 CA ALA A 77 -6.068 19.416 -5.333 1.00 0.00 C ATOM 1021 C ALA A 77 -6.685 20.806 -5.437 1.00 0.00 C ATOM 1022 O ALA A 77 -5.970 21.802 -5.541 1.00 0.00 O ATOM 1023 CB ALA A 77 -6.045 18.741 -6.691 1.00 0.00 C ATOM 0 H ALA A 77 -7.318 17.826 -4.799 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.044 19.530 -4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.498 19.365 -7.398 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.554 17.771 -6.607 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.066 18.601 -7.045 1.00 0.00 H new ATOM 1029 N ASP A 78 -8.012 20.866 -5.382 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.731 22.138 -5.484 1.00 0.00 C ATOM 1031 C ASP A 78 -10.230 21.918 -5.286 1.00 0.00 C ATOM 1032 O ASP A 78 -11.045 22.285 -6.129 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.479 22.789 -6.852 1.00 0.00 C ATOM 1034 CG ASP A 78 -8.901 24.244 -6.893 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -8.124 25.102 -6.419 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -9.998 24.540 -7.402 1.00 0.00 O ATOM 0 H ASP A 78 -8.614 20.051 -5.267 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.363 22.803 -4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.419 22.715 -7.095 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.021 22.236 -7.619 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.587 21.285 -4.175 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.986 21.009 -3.881 1.00 0.00 C ATOM 1042 C GLY A 79 -12.549 19.895 -4.743 1.00 0.00 C ATOM 1043 O GLY A 79 -13.665 19.426 -4.524 1.00 0.00 O ATOM 0 H GLY A 79 -9.931 20.955 -3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.087 20.738 -2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.572 21.915 -4.034 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.757 19.462 -5.708 1.00 0.00 N ATOM 1048 CA GLN A 80 -12.147 18.410 -6.627 1.00 0.00 C ATOM 1049 C GLN A 80 -11.212 17.221 -6.477 1.00 0.00 C ATOM 1050 O GLN A 80 -10.170 17.317 -5.818 1.00 0.00 O ATOM 1051 CB GLN A 80 -12.121 18.935 -8.065 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.797 19.572 -8.462 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.832 20.168 -9.855 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -11.878 20.606 -10.331 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.686 20.204 -10.513 1.00 0.00 N ATOM 0 H GLN A 80 -10.822 19.832 -5.876 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.162 18.088 -6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.336 18.112 -8.746 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.918 19.668 -8.189 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.543 20.351 -7.744 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.008 18.822 -8.411 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.840 19.830 -10.084 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.648 20.605 -11.450 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.581 16.108 -7.087 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.784 14.898 -7.007 1.00 0.00 C ATOM 1064 C TYR A 81 -10.153 14.574 -8.357 1.00 0.00 C ATOM 1065 O TYR A 81 -10.586 15.081 -9.396 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.644 13.723 -6.519 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.773 13.344 -7.455 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.561 12.443 -8.485 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -14.047 13.879 -7.306 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.576 12.080 -9.340 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -15.075 13.523 -8.161 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.834 12.621 -9.178 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.853 12.256 -10.033 1.00 0.00 O ATOM 0 H TYR A 81 -12.430 16.018 -7.645 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.981 15.064 -6.288 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.002 12.854 -6.373 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.064 13.976 -5.546 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.578 12.016 -8.620 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.238 14.584 -6.510 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.388 11.374 -10.135 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -16.060 13.948 -8.034 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.675 12.726 -9.782 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.136 13.727 -8.329 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.432 13.320 -9.533 1.00 0.00 C ATOM 1084 C HIS A 82 -7.925 11.901 -9.345 1.00 0.00 C ATOM 1085 O HIS A 82 -7.652 11.483 -8.221 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.253 14.263 -9.799 1.00 0.00 C ATOM 1087 CG HIS A 82 -6.662 14.134 -11.173 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -5.725 13.179 -11.511 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -6.873 14.861 -12.295 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -5.391 13.325 -12.778 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -6.070 14.337 -13.277 1.00 0.00 N ATOM 0 H HIS A 82 -8.777 13.304 -7.473 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.109 13.363 -10.386 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.584 15.291 -9.653 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.474 14.071 -9.061 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -5.350 12.471 -10.880 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.548 15.698 -12.398 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.680 12.716 -13.317 1.00 0.00 H new ATOM 1099 N ASP A 83 -7.837 11.154 -10.431 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.349 9.783 -10.369 1.00 0.00 C ATOM 1101 C ASP A 83 -5.847 9.781 -10.139 1.00 0.00 C ATOM 1102 O ASP A 83 -5.132 10.638 -10.660 1.00 0.00 O ATOM 1103 CB ASP A 83 -7.680 9.022 -11.655 1.00 0.00 C ATOM 1104 CG ASP A 83 -7.235 7.571 -11.605 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -8.022 6.717 -11.142 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -6.101 7.278 -12.035 1.00 0.00 O ATOM 0 H ASP A 83 -8.096 11.470 -11.366 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.845 9.280 -9.539 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.755 9.063 -11.831 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.200 9.517 -12.499 1.00 0.00 H new ATOM 1110 N SER A 84 -5.375 8.844 -9.340 1.00 0.00 N ATOM 1111 CA SER A 84 -3.964 8.744 -9.043 1.00 0.00 C ATOM 1112 C SER A 84 -3.590 7.300 -8.746 1.00 0.00 C ATOM 1113 O SER A 84 -4.440 6.486 -8.386 1.00 0.00 O ATOM 1114 CB SER A 84 -3.627 9.645 -7.851 1.00 0.00 C ATOM 1115 OG SER A 84 -2.245 9.607 -7.532 1.00 0.00 O ATOM 0 H SER A 84 -5.954 8.139 -8.884 1.00 0.00 H new ATOM 0 HA SER A 84 -3.389 9.073 -9.908 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.919 10.670 -8.077 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.208 9.332 -6.984 1.00 0.00 H new ATOM 0 HG SER A 84 -1.719 9.594 -8.359 1.00 0.00 H new ATOM 1120 N SER A 85 -2.322 6.982 -8.920 1.00 0.00 N ATOM 1121 CA SER A 85 -1.840 5.646 -8.658 1.00 0.00 C ATOM 1122 C SER A 85 -0.598 5.708 -7.801 1.00 0.00 C ATOM 1123 O SER A 85 0.025 6.761 -7.668 1.00 0.00 O ATOM 1124 CB SER A 85 -1.519 4.905 -9.947 1.00 0.00 C ATOM 1125 OG SER A 85 -2.125 5.533 -11.066 1.00 0.00 O ATOM 0 H SER A 85 -1.608 7.635 -9.243 1.00 0.00 H new ATOM 0 HA SER A 85 -2.630 5.105 -8.137 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.439 4.868 -10.089 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.866 3.874 -9.873 1.00 0.00 H new ATOM 0 HG SER A 85 -1.901 5.037 -11.881 1.00 0.00 H new ATOM 1130 N MET A 86 -0.247 4.580 -7.226 1.00 0.00 N ATOM 1131 CA MET A 86 0.912 4.495 -6.380 1.00 0.00 C ATOM 1132 C MET A 86 1.522 3.109 -6.438 1.00 0.00 C ATOM 1133 O MET A 86 0.857 2.119 -6.140 1.00 0.00 O ATOM 1134 CB MET A 86 0.526 4.817 -4.946 1.00 0.00 C ATOM 1135 CG MET A 86 1.709 4.922 -4.001 1.00 0.00 C ATOM 1136 SD MET A 86 2.665 6.437 -4.264 1.00 0.00 S ATOM 1137 CE MET A 86 3.472 6.149 -5.838 1.00 0.00 C ATOM 0 H MET A 86 -0.756 3.703 -7.333 1.00 0.00 H new ATOM 0 HA MET A 86 1.649 5.216 -6.735 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.024 5.758 -4.930 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.152 4.046 -4.580 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.352 4.894 -2.971 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.358 4.057 -4.137 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.371 6.762 -5.904 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.744 5.097 -5.920 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.793 6.413 -6.649 1.00 0.00 H new ATOM 1145 N ASP A 87 2.778 3.030 -6.832 1.00 0.00 N ATOM 1146 CA ASP A 87 3.458 1.755 -6.894 1.00 0.00 C ATOM 1147 C ASP A 87 3.825 1.310 -5.489 1.00 0.00 C ATOM 1148 O ASP A 87 4.748 1.839 -4.870 1.00 0.00 O ATOM 1149 CB ASP A 87 4.704 1.841 -7.773 1.00 0.00 C ATOM 1150 CG ASP A 87 4.381 1.790 -9.254 1.00 0.00 C ATOM 1151 OD1 ASP A 87 3.199 1.947 -9.619 1.00 0.00 O ATOM 1152 OD2 ASP A 87 5.309 1.582 -10.059 1.00 0.00 O ATOM 0 H ASP A 87 3.344 3.831 -7.112 1.00 0.00 H new ATOM 0 HA ASP A 87 2.789 1.020 -7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.235 2.767 -7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.377 1.020 -7.524 1.00 0.00 H new ATOM 1156 N LEU A 88 3.092 0.328 -4.998 1.00 0.00 N ATOM 1157 CA LEU A 88 3.299 -0.208 -3.661 1.00 0.00 C ATOM 1158 C LEU A 88 4.570 -1.033 -3.624 1.00 0.00 C ATOM 1159 O LEU A 88 5.004 -1.484 -2.564 1.00 0.00 O ATOM 1160 CB LEU A 88 2.104 -1.060 -3.243 1.00 0.00 C ATOM 1161 CG LEU A 88 0.727 -0.452 -3.526 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.365 -1.364 -2.991 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.615 0.934 -2.905 1.00 0.00 C ATOM 0 H LEU A 88 2.336 -0.122 -5.513 1.00 0.00 H new ATOM 0 HA LEU A 88 3.397 0.621 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.169 -2.021 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.180 -1.261 -2.174 1.00 0.00 H new ATOM 0 HG LEU A 88 0.605 -0.353 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.340 -0.923 -3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.297 -2.337 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.242 -1.486 -1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.370 1.349 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.754 0.862 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.381 1.585 -3.327 1.00 0.00 H new ATOM 1174 N ASN A 89 5.137 -1.254 -4.803 1.00 0.00 N ATOM 1175 CA ASN A 89 6.380 -2.009 -4.955 1.00 0.00 C ATOM 1176 C ASN A 89 7.449 -1.535 -3.970 1.00 0.00 C ATOM 1177 O ASN A 89 8.271 -2.325 -3.506 1.00 0.00 O ATOM 1178 CB ASN A 89 6.904 -1.876 -6.386 1.00 0.00 C ATOM 1179 CG ASN A 89 6.026 -2.595 -7.388 1.00 0.00 C ATOM 1180 OD1 ASN A 89 5.060 -2.032 -7.900 1.00 0.00 O ATOM 1181 ND2 ASN A 89 6.360 -3.844 -7.681 1.00 0.00 N ATOM 0 H ASN A 89 4.750 -0.915 -5.684 1.00 0.00 H new ATOM 0 HA ASN A 89 6.161 -3.055 -4.741 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.966 -0.821 -6.651 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.916 -2.278 -6.439 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.808 -4.375 -8.354 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.169 -4.274 -7.233 1.00 0.00 H new ATOM 1187 N TYR A 90 7.423 -0.255 -3.628 1.00 0.00 N ATOM 1188 CA TYR A 90 8.393 0.288 -2.697 1.00 0.00 C ATOM 1189 C TYR A 90 7.717 0.799 -1.432 1.00 0.00 C ATOM 1190 O TYR A 90 8.252 1.665 -0.738 1.00 0.00 O ATOM 1191 CB TYR A 90 9.234 1.388 -3.356 1.00 0.00 C ATOM 1192 CG TYR A 90 8.464 2.307 -4.282 1.00 0.00 C ATOM 1193 CD1 TYR A 90 7.679 3.338 -3.785 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.541 2.148 -5.660 1.00 0.00 C ATOM 1195 CE1 TYR A 90 6.993 4.185 -4.635 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.857 2.989 -6.515 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.084 4.004 -5.998 1.00 0.00 C ATOM 1198 OH TYR A 90 6.406 4.847 -6.849 1.00 0.00 O ATOM 0 H TYR A 90 6.745 0.420 -3.980 1.00 0.00 H new ATOM 0 HA TYR A 90 9.066 -0.520 -2.410 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.698 1.989 -2.574 1.00 0.00 H new ATOM 0 HB3 TYR A 90 10.041 0.920 -3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.603 3.481 -2.717 1.00 0.00 H new ATOM 0 HD2 TYR A 90 9.146 1.353 -6.069 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.389 4.985 -4.233 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.928 2.851 -7.584 1.00 0.00 H new ATOM 0 HH TYR A 90 6.578 4.583 -7.777 1.00 0.00 H new ATOM 1207 N VAL A 91 6.528 0.273 -1.146 1.00 0.00 N ATOM 1208 CA VAL A 91 5.797 0.662 0.054 1.00 0.00 C ATOM 1209 C VAL A 91 5.319 -0.569 0.834 1.00 0.00 C ATOM 1210 O VAL A 91 4.890 -0.459 1.982 1.00 0.00 O ATOM 1211 CB VAL A 91 4.616 1.627 -0.247 1.00 0.00 C ATOM 1212 CG1 VAL A 91 4.952 2.570 -1.369 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.316 0.924 -0.547 1.00 0.00 C ATOM 0 H VAL A 91 6.054 -0.419 -1.726 1.00 0.00 H new ATOM 0 HA VAL A 91 6.499 1.214 0.679 1.00 0.00 H new ATOM 0 HB VAL A 91 4.468 2.191 0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.105 3.231 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.824 3.165 -1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.171 1.999 -2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.540 1.663 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.441 0.285 -1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.025 0.315 0.309 1.00 0.00 H new ATOM 1223 N VAL A 92 5.404 -1.747 0.204 1.00 0.00 N ATOM 1224 CA VAL A 92 5.013 -3.005 0.847 1.00 0.00 C ATOM 1225 C VAL A 92 6.040 -4.082 0.541 1.00 0.00 C ATOM 1226 O VAL A 92 6.575 -4.137 -0.569 1.00 0.00 O ATOM 1227 CB VAL A 92 3.646 -3.550 0.373 1.00 0.00 C ATOM 1228 CG1 VAL A 92 3.053 -4.494 1.409 1.00 0.00 C ATOM 1229 CG2 VAL A 92 2.673 -2.445 0.046 1.00 0.00 C ATOM 0 H VAL A 92 5.741 -1.854 -0.753 1.00 0.00 H new ATOM 0 HA VAL A 92 4.947 -2.777 1.911 1.00 0.00 H new ATOM 0 HB VAL A 92 3.826 -4.105 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.091 -4.865 1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.730 -5.333 1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.912 -3.960 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.728 -2.878 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.504 -1.835 0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.083 -1.823 -0.750 1.00 0.00 H new ATOM 1239 N GLY A 93 6.308 -4.933 1.514 1.00 0.00 N ATOM 1240 CA GLY A 93 7.248 -6.011 1.319 1.00 0.00 C ATOM 1241 C GLY A 93 6.747 -7.298 1.930 1.00 0.00 C ATOM 1242 O GLY A 93 5.832 -7.281 2.758 1.00 0.00 O ATOM 0 H GLY A 93 5.888 -4.896 2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.421 -6.156 0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.207 -5.744 1.764 1.00 0.00 H new ATOM 1246 N ASN A 94 7.329 -8.412 1.522 1.00 0.00 N ATOM 1247 CA ASN A 94 6.925 -9.708 2.050 1.00 0.00 C ATOM 1248 C ASN A 94 7.994 -10.263 2.968 1.00 0.00 C ATOM 1249 O ASN A 94 9.101 -10.585 2.533 1.00 0.00 O ATOM 1250 CB ASN A 94 6.650 -10.717 0.933 1.00 0.00 C ATOM 1251 CG ASN A 94 6.287 -12.088 1.488 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.627 -12.203 2.521 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.743 -13.140 0.828 1.00 0.00 N ATOM 0 H ASN A 94 8.079 -8.448 0.831 1.00 0.00 H new ATOM 0 HA ASN A 94 6.002 -9.552 2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.837 -10.352 0.305 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.530 -10.804 0.296 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.551 -14.081 1.172 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.287 -13.010 -0.025 1.00 0.00 H new ATOM 1259 N SER A 95 7.669 -10.371 4.237 1.00 0.00 N ATOM 1260 CA SER A 95 8.600 -10.899 5.205 1.00 0.00 C ATOM 1261 C SER A 95 8.064 -12.183 5.809 1.00 0.00 C ATOM 1262 O SER A 95 7.456 -12.172 6.876 1.00 0.00 O ATOM 1263 CB SER A 95 8.879 -9.870 6.290 1.00 0.00 C ATOM 1264 OG SER A 95 9.575 -8.756 5.751 1.00 0.00 O ATOM 0 H SER A 95 6.764 -10.099 4.622 1.00 0.00 H new ATOM 0 HA SER A 95 9.538 -11.124 4.698 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.941 -9.539 6.736 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.468 -10.324 7.087 1.00 0.00 H new ATOM 0 HG SER A 95 9.746 -8.102 6.461 1.00 0.00 H new ATOM 1269 N TYR A 96 8.279 -13.281 5.090 1.00 0.00 N ATOM 1270 CA TYR A 96 7.839 -14.601 5.528 1.00 0.00 C ATOM 1271 C TYR A 96 6.318 -14.667 5.637 1.00 0.00 C ATOM 1272 O TYR A 96 5.773 -15.012 6.685 1.00 0.00 O ATOM 1273 CB TYR A 96 8.497 -14.968 6.865 1.00 0.00 C ATOM 1274 CG TYR A 96 10.007 -14.993 6.799 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.671 -15.905 5.987 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.770 -14.096 7.535 1.00 0.00 C ATOM 1277 CE1 TYR A 96 12.049 -15.922 5.911 1.00 0.00 C ATOM 1278 CE2 TYR A 96 12.150 -14.107 7.465 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.784 -15.021 6.651 1.00 0.00 C ATOM 1280 OH TYR A 96 14.156 -15.031 6.574 1.00 0.00 O ATOM 0 H TYR A 96 8.761 -13.281 4.191 1.00 0.00 H new ATOM 0 HA TYR A 96 8.150 -15.328 4.778 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.185 -14.252 7.625 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.137 -15.947 7.183 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.099 -16.613 5.405 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.276 -13.378 8.173 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.549 -16.638 5.275 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.729 -13.403 8.045 1.00 0.00 H new ATOM 0 HH TYR A 96 14.521 -14.333 7.156 1.00 0.00 H new ATOM 1289 N GLY A 97 5.646 -14.347 4.529 1.00 0.00 N ATOM 1290 CA GLY A 97 4.193 -14.372 4.482 1.00 0.00 C ATOM 1291 C GLY A 97 3.558 -13.479 5.525 1.00 0.00 C ATOM 1292 O GLY A 97 2.429 -13.721 5.954 1.00 0.00 O ATOM 0 H GLY A 97 6.091 -14.068 3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.861 -14.060 3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.847 -15.395 4.627 1.00 0.00 H new ATOM 1296 N TYR A 98 4.271 -12.437 5.921 1.00 0.00 N ATOM 1297 CA TYR A 98 3.774 -11.533 6.939 1.00 0.00 C ATOM 1298 C TYR A 98 3.683 -10.114 6.399 1.00 0.00 C ATOM 1299 O TYR A 98 4.538 -9.671 5.630 1.00 0.00 O ATOM 1300 CB TYR A 98 4.702 -11.569 8.156 1.00 0.00 C ATOM 1301 CG TYR A 98 4.007 -11.351 9.481 1.00 0.00 C ATOM 1302 CD1 TYR A 98 3.280 -10.196 9.736 1.00 0.00 C ATOM 1303 CD2 TYR A 98 4.087 -12.309 10.481 1.00 0.00 C ATOM 1304 CE1 TYR A 98 2.653 -10.003 10.952 1.00 0.00 C ATOM 1305 CE2 TYR A 98 3.464 -12.123 11.699 1.00 0.00 C ATOM 1306 CZ TYR A 98 2.749 -10.969 11.930 1.00 0.00 C ATOM 1307 OH TYR A 98 2.130 -10.781 13.145 1.00 0.00 O ATOM 0 H TYR A 98 5.192 -12.199 5.553 1.00 0.00 H new ATOM 0 HA TYR A 98 2.775 -11.854 7.234 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.210 -12.533 8.181 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.471 -10.806 8.034 1.00 0.00 H new ATOM 0 HD1 TYR A 98 3.203 -9.437 8.972 1.00 0.00 H new ATOM 0 HD2 TYR A 98 4.646 -13.216 10.304 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.090 -9.099 11.135 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.537 -12.879 12.467 1.00 0.00 H new ATOM 0 HH TYR A 98 2.296 -11.557 13.720 1.00 0.00 H new ATOM 1316 N MET A 99 2.622 -9.424 6.794 1.00 0.00 N ATOM 1317 CA MET A 99 2.386 -8.042 6.389 1.00 0.00 C ATOM 1318 C MET A 99 3.511 -7.119 6.864 1.00 0.00 C ATOM 1319 O MET A 99 3.518 -6.667 8.008 1.00 0.00 O ATOM 1320 CB MET A 99 1.043 -7.550 6.944 1.00 0.00 C ATOM 1321 CG MET A 99 0.866 -7.793 8.439 1.00 0.00 C ATOM 1322 SD MET A 99 -0.645 -7.065 9.105 1.00 0.00 S ATOM 1323 CE MET A 99 -0.340 -5.324 8.817 1.00 0.00 C ATOM 0 H MET A 99 1.899 -9.805 7.405 1.00 0.00 H new ATOM 0 HA MET A 99 2.362 -8.015 5.300 1.00 0.00 H new ATOM 0 HB2 MET A 99 0.948 -6.482 6.746 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.235 -8.047 6.407 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.858 -8.867 8.627 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.724 -7.383 8.971 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.007 -4.730 9.442 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.695 -5.090 9.066 1.00 0.00 H new ATOM 0 HE3 MET A 99 -0.523 -5.091 7.768 1.00 0.00 H new ATOM 1331 N GLU A 100 4.459 -6.839 5.982 1.00 0.00 N ATOM 1332 CA GLU A 100 5.575 -5.966 6.314 1.00 0.00 C ATOM 1333 C GLU A 100 5.744 -4.873 5.266 1.00 0.00 C ATOM 1334 O GLU A 100 6.611 -4.954 4.396 1.00 0.00 O ATOM 1335 CB GLU A 100 6.864 -6.773 6.457 1.00 0.00 C ATOM 1336 CG GLU A 100 7.053 -7.370 7.841 1.00 0.00 C ATOM 1337 CD GLU A 100 7.377 -6.315 8.878 1.00 0.00 C ATOM 1338 OE1 GLU A 100 8.571 -5.982 9.037 1.00 0.00 O ATOM 1339 OE2 GLU A 100 6.447 -5.809 9.537 1.00 0.00 O ATOM 0 H GLU A 100 4.478 -7.204 5.030 1.00 0.00 H new ATOM 0 HA GLU A 100 5.357 -5.489 7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.864 -7.576 5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.714 -6.130 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.146 -7.899 8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.856 -8.107 7.811 1.00 0.00 H new ATOM 1344 N PRO A 101 4.900 -3.836 5.329 1.00 0.00 N ATOM 1345 CA PRO A 101 4.956 -2.722 4.388 1.00 0.00 C ATOM 1346 C PRO A 101 6.121 -1.783 4.674 1.00 0.00 C ATOM 1347 O PRO A 101 6.036 -0.889 5.519 1.00 0.00 O ATOM 1348 CB PRO A 101 3.625 -2.012 4.598 1.00 0.00 C ATOM 1349 CG PRO A 101 3.251 -2.317 6.008 1.00 0.00 C ATOM 1350 CD PRO A 101 3.822 -3.674 6.320 1.00 0.00 C ATOM 0 HA PRO A 101 5.112 -3.059 3.363 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.719 -0.938 4.437 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.869 -2.374 3.901 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.650 -1.563 6.687 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.168 -2.315 6.131 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.205 -3.723 7.339 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.069 -4.457 6.224 1.00 0.00 H new ATOM 1355 N CYS A 102 7.209 -2.003 3.968 1.00 0.00 N ATOM 1356 CA CYS A 102 8.403 -1.194 4.120 1.00 0.00 C ATOM 1357 C CYS A 102 8.514 -0.172 2.997 1.00 0.00 C ATOM 1358 O CYS A 102 8.303 -0.494 1.828 1.00 0.00 O ATOM 1359 CB CYS A 102 9.644 -2.088 4.156 1.00 0.00 C ATOM 1360 SG CYS A 102 9.567 -3.528 3.032 1.00 0.00 S ATOM 0 H CYS A 102 7.293 -2.745 3.274 1.00 0.00 H new ATOM 0 HA CYS A 102 8.333 -0.652 5.063 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.517 -1.488 3.900 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.791 -2.445 5.175 1.00 0.00 H new