USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 672 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: C 56 HIS : no HD1:sc= 0.0772 X(o=0.22,f=-0.0051) USER MOD Set 1.2: D 78 HIS : no HE2:sc= 0.144 K(o=0.22,f=-1.1) USER MOD Set 2.1: B 23 SER OG : rot -102:sc= 0.185 USER MOD Set 2.2: B 44 LYS NZ :NH3+ -144:sc= -1.27 (180deg=-3.73!) USER MOD Set 2.3: C 45 SER OG : rot 180:sc= -0.478 USER MOD Set 3.1: B 28 CYS SG : rot -23:sc= 0.458! USER MOD Set 3.2: C 50 CYS SG : rot -60:sc= 0.403 USER MOD Set 4.1: B 27 ASN : amide:sc= -0.91 K(o=-3.7,f=-5.2!) USER MOD Set 4.2: C 49 ASN : amide:sc= -2.81 K(o=-3.7,f=-3.1) USER MOD Single : A 1 SER N :NH3+ -156:sc= 0.00587 (180deg=0) USER MOD Single : A 1 SER OG : rot 33:sc= 1.05 USER MOD Single : A 2 ASN : amide:sc= -0.373 K(o=-0.37,f=-5!) USER MOD Single : A 5 ASN : amide:sc= -2.66! K(o=-2.7!,f=-0.73) USER MOD Single : A 6 CYS SG : rot 25:sc= 0.0117 USER MOD Single : A 7 TYR OH : rot 148:sc= 0.54 USER MOD Single : A 9 SER OG : rot 180:sc= -0.105 USER MOD Single : A 12 HIS : no HD1:sc= -0.242 X(o=-0.24,f=0.00069) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 158:sc= -0.0142 (180deg=-0.364) USER MOD Single : B 24 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : B 29 TYR OH : rot 107:sc= 0.631 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HD1:sc= -0.435 X(o=-0.43,f=-0.034) USER MOD Single : B 36 SER OG : rot 170:sc= 1.23 USER MOD Single : C 46 ASN : amide:sc=-0.00969 K(o=-0.0097,f=-0.68) USER MOD Single : C 51 TYR OH : rot -150:sc= 1 USER MOD Single : C 53 SER OG : rot -103:sc= 0.574 USER MOD Single : C 58 SER OG : rot 94:sc= 0.00356 USER MOD Single : C 66 LYS NZ :NH3+ 151:sc= 0.0856 (180deg=0) USER MOD Single : D 67 SER OG : rot 29:sc= 0.0423 USER MOD Single : D 68 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.2) USER MOD Single : D 71 ASN : amide:sc= -1.74 K(o=-1.7,f=-8.3!) USER MOD Single : D 72 CYS SG : rot 180:sc= 0 USER MOD Single : D 73 TYR OH : rot 180:sc= 0 USER MOD Single : D 75 SER OG : rot -119:sc= 0.0801 USER MOD Single : D 80 SER OG : rot -109:sc= -1.16 USER MOD Single : D 88 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.173) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.971 1.225 -3.601 1.00 0.00 N ATOM 2 CA SER A 1 13.520 1.602 -4.966 1.00 0.00 C ATOM 3 C SER A 1 13.297 3.108 -5.074 1.00 0.00 C ATOM 4 O SER A 1 13.756 3.875 -4.227 1.00 0.00 O ATOM 5 CB SER A 1 12.225 0.849 -5.276 1.00 0.00 C ATOM 6 OG SER A 1 12.348 0.088 -6.466 1.00 0.00 O ATOM 0 H1 SER A 1 14.492 0.326 -3.643 1.00 0.00 H new ATOM 0 H2 SER A 1 14.593 1.968 -3.224 1.00 0.00 H new ATOM 0 H3 SER A 1 13.144 1.117 -2.980 1.00 0.00 H new ATOM 0 HA SER A 1 14.291 1.333 -5.688 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.976 0.190 -4.444 1.00 0.00 H new ATOM 0 HB3 SER A 1 11.404 1.559 -5.378 1.00 0.00 H new ATOM 0 HG SER A 1 13.271 -0.229 -6.558 1.00 0.00 H new ATOM 14 N ASN A 2 12.588 3.525 -6.118 1.00 0.00 N ATOM 15 CA ASN A 2 12.306 4.940 -6.333 1.00 0.00 C ATOM 16 C ASN A 2 11.145 5.127 -7.305 1.00 0.00 C ATOM 17 O ASN A 2 11.330 5.091 -8.521 1.00 0.00 O ATOM 18 CB ASN A 2 13.553 5.653 -6.863 1.00 0.00 C ATOM 19 CG ASN A 2 13.327 7.137 -7.079 1.00 0.00 C ATOM 20 OD1 ASN A 2 13.514 7.944 -6.169 1.00 0.00 O ATOM 21 ND2 ASN A 2 12.922 7.505 -8.289 1.00 0.00 N ATOM 0 H ASN A 2 12.199 2.904 -6.828 1.00 0.00 H new ATOM 0 HA ASN A 2 12.023 5.377 -5.375 1.00 0.00 H new ATOM 0 HB2 ASN A 2 14.374 5.513 -6.160 1.00 0.00 H new ATOM 0 HB3 ASN A 2 13.857 5.195 -7.804 1.00 0.00 H new ATOM 0 HD21 ASN A 2 12.754 8.490 -8.493 1.00 0.00 H new ATOM 0 HD22 ASN A 2 12.779 6.802 -9.015 1.00 0.00 H new ATOM 28 N PHE A 3 9.949 5.333 -6.761 1.00 0.00 N ATOM 29 CA PHE A 3 8.761 5.533 -7.585 1.00 0.00 C ATOM 30 C PHE A 3 7.609 6.095 -6.756 1.00 0.00 C ATOM 31 O PHE A 3 7.786 6.454 -5.591 1.00 0.00 O ATOM 32 CB PHE A 3 8.360 4.216 -8.272 1.00 0.00 C ATOM 33 CG PHE A 3 7.512 3.283 -7.441 1.00 0.00 C ATOM 34 CD1 PHE A 3 7.538 3.326 -6.054 1.00 0.00 C ATOM 35 CD2 PHE A 3 6.686 2.357 -8.059 1.00 0.00 C ATOM 36 CE1 PHE A 3 6.755 2.466 -5.305 1.00 0.00 C ATOM 37 CE2 PHE A 3 5.905 1.494 -7.315 1.00 0.00 C ATOM 38 CZ PHE A 3 5.940 1.548 -5.937 1.00 0.00 C ATOM 0 H PHE A 3 9.777 5.366 -5.756 1.00 0.00 H new ATOM 0 HA PHE A 3 8.997 6.264 -8.358 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.818 4.454 -9.187 1.00 0.00 H new ATOM 0 HB3 PHE A 3 9.267 3.689 -8.567 1.00 0.00 H new ATOM 0 HD1 PHE A 3 8.177 4.039 -5.554 1.00 0.00 H new ATOM 0 HD2 PHE A 3 6.653 2.310 -9.137 1.00 0.00 H new ATOM 0 HE1 PHE A 3 6.781 2.513 -4.226 1.00 0.00 H new ATOM 0 HE2 PHE A 3 5.268 0.778 -7.812 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.331 0.873 -5.354 1.00 0.00 H new ATOM 48 N LEU A 4 6.429 6.167 -7.361 1.00 0.00 N ATOM 49 CA LEU A 4 5.252 6.687 -6.675 1.00 0.00 C ATOM 50 C LEU A 4 4.110 5.677 -6.703 1.00 0.00 C ATOM 51 O LEU A 4 3.629 5.292 -7.769 1.00 0.00 O ATOM 52 CB LEU A 4 4.811 8.015 -7.302 1.00 0.00 C ATOM 53 CG LEU A 4 4.026 7.902 -8.613 1.00 0.00 C ATOM 54 CD1 LEU A 4 3.647 9.281 -9.121 1.00 0.00 C ATOM 55 CD2 LEU A 4 4.837 7.156 -9.662 1.00 0.00 C ATOM 0 H LEU A 4 6.262 5.873 -8.323 1.00 0.00 H new ATOM 0 HA LEU A 4 5.518 6.864 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.198 8.552 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.698 8.623 -7.482 1.00 0.00 H new ATOM 0 HG LEU A 4 3.114 7.338 -8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 4 3.090 9.185 -10.053 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.028 9.785 -8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.550 9.865 -9.297 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.262 7.087 -10.585 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.766 7.693 -9.853 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.065 6.153 -9.300 1.00 0.00 H new ATOM 67 N ASN A 5 3.681 5.251 -5.520 1.00 0.00 N ATOM 68 CA ASN A 5 2.596 4.286 -5.397 1.00 0.00 C ATOM 69 C ASN A 5 1.496 4.824 -4.483 1.00 0.00 C ATOM 70 O ASN A 5 1.198 4.244 -3.438 1.00 0.00 O ATOM 71 CB ASN A 5 3.128 2.957 -4.856 1.00 0.00 C ATOM 72 CG ASN A 5 2.570 1.762 -5.604 1.00 0.00 C ATOM 73 OD1 ASN A 5 3.270 1.126 -6.394 1.00 0.00 O ATOM 74 ND2 ASN A 5 1.304 1.450 -5.359 1.00 0.00 N ATOM 0 H ASN A 5 4.070 5.561 -4.630 1.00 0.00 H new ATOM 0 HA ASN A 5 2.171 4.120 -6.387 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.216 2.949 -4.925 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.875 2.871 -3.799 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.874 0.656 -5.833 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.761 2.004 -4.697 1.00 0.00 H new ATOM 81 N CYS A 6 0.896 5.942 -4.878 1.00 0.00 N ATOM 82 CA CYS A 6 -0.163 6.549 -4.082 1.00 0.00 C ATOM 83 C CYS A 6 -1.306 7.046 -4.960 1.00 0.00 C ATOM 84 O CYS A 6 -1.089 7.512 -6.078 1.00 0.00 O ATOM 85 CB CYS A 6 0.396 7.703 -3.248 1.00 0.00 C ATOM 86 SG CYS A 6 1.073 9.062 -4.230 1.00 0.00 S ATOM 0 H CYS A 6 1.123 6.442 -5.737 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.558 5.782 -3.416 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.396 8.091 -2.607 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.177 7.318 -2.592 1.00 0.00 H new ATOM 0 HG CYS A 6 0.509 9.074 -5.401 1.00 0.00 H new ATOM 92 N TYR A 7 -2.525 6.948 -4.438 1.00 0.00 N ATOM 93 CA TYR A 7 -3.709 7.391 -5.165 1.00 0.00 C ATOM 94 C TYR A 7 -4.798 7.847 -4.200 1.00 0.00 C ATOM 95 O TYR A 7 -5.120 7.153 -3.235 1.00 0.00 O ATOM 96 CB TYR A 7 -4.238 6.273 -6.065 1.00 0.00 C ATOM 97 CG TYR A 7 -4.384 4.935 -5.372 1.00 0.00 C ATOM 98 CD1 TYR A 7 -3.273 4.252 -4.892 1.00 0.00 C ATOM 99 CD2 TYR A 7 -5.633 4.350 -5.208 1.00 0.00 C ATOM 100 CE1 TYR A 7 -3.404 3.024 -4.270 1.00 0.00 C ATOM 101 CE2 TYR A 7 -5.771 3.124 -4.585 1.00 0.00 C ATOM 102 CZ TYR A 7 -4.652 2.465 -4.120 1.00 0.00 C ATOM 103 OH TYR A 7 -4.783 1.242 -3.505 1.00 0.00 O ATOM 0 H TYR A 7 -2.718 6.565 -3.513 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.424 8.237 -5.790 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.208 6.571 -6.463 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.566 6.158 -6.915 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.291 4.687 -5.007 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.511 4.862 -5.573 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.530 2.506 -3.903 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.750 2.684 -4.463 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.638 1.206 -3.028 1.00 0.00 H new ATOM 113 N VAL A 8 -5.360 9.021 -4.466 1.00 0.00 N ATOM 114 CA VAL A 8 -6.410 9.573 -3.620 1.00 0.00 C ATOM 115 C VAL A 8 -7.790 9.343 -4.233 1.00 0.00 C ATOM 116 O VAL A 8 -8.214 10.072 -5.129 1.00 0.00 O ATOM 117 CB VAL A 8 -6.201 11.084 -3.384 1.00 0.00 C ATOM 118 CG1 VAL A 8 -6.221 11.846 -4.702 1.00 0.00 C ATOM 119 CG2 VAL A 8 -7.250 11.628 -2.426 1.00 0.00 C ATOM 0 H VAL A 8 -5.106 9.608 -5.260 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.355 9.054 -2.663 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.221 11.225 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.072 12.909 -4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.423 11.478 -5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.182 11.698 -5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.085 12.695 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.243 11.471 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.175 11.109 -1.471 1.00 0.00 H new ATOM 129 N SER A 9 -8.486 8.324 -3.739 1.00 0.00 N ATOM 130 CA SER A 9 -9.817 7.998 -4.235 1.00 0.00 C ATOM 131 C SER A 9 -9.788 7.706 -5.732 1.00 0.00 C ATOM 132 O SER A 9 -9.662 8.617 -6.550 1.00 0.00 O ATOM 133 CB SER A 9 -10.787 9.145 -3.945 1.00 0.00 C ATOM 134 OG SER A 9 -10.314 9.958 -2.885 1.00 0.00 O ATOM 0 H SER A 9 -8.150 7.711 -2.996 1.00 0.00 H new ATOM 0 HA SER A 9 -10.159 7.102 -3.718 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.917 9.751 -4.842 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.766 8.741 -3.688 1.00 0.00 H new ATOM 0 HG SER A 9 -10.951 10.684 -2.721 1.00 0.00 H new ATOM 140 N GLY A 10 -9.907 6.429 -6.084 1.00 0.00 N ATOM 141 CA GLY A 10 -9.893 6.042 -7.483 1.00 0.00 C ATOM 142 C GLY A 10 -9.404 4.623 -7.689 1.00 0.00 C ATOM 143 O GLY A 10 -8.409 4.209 -7.094 1.00 0.00 O ATOM 0 H GLY A 10 -10.013 5.657 -5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.898 6.139 -7.893 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.254 6.727 -8.040 1.00 0.00 H new ATOM 147 N PHE A 11 -10.105 3.874 -8.534 1.00 0.00 N ATOM 148 CA PHE A 11 -9.736 2.491 -8.818 1.00 0.00 C ATOM 149 C PHE A 11 -10.333 2.028 -10.143 1.00 0.00 C ATOM 150 O PHE A 11 -11.473 1.568 -10.193 1.00 0.00 O ATOM 151 CB PHE A 11 -10.204 1.574 -7.687 1.00 0.00 C ATOM 152 CG PHE A 11 -9.343 0.356 -7.505 1.00 0.00 C ATOM 153 CD1 PHE A 11 -8.134 0.440 -6.836 1.00 0.00 C ATOM 154 CD2 PHE A 11 -9.748 -0.872 -8.001 1.00 0.00 C ATOM 155 CE1 PHE A 11 -7.342 -0.680 -6.666 1.00 0.00 C ATOM 156 CE2 PHE A 11 -8.960 -1.995 -7.835 1.00 0.00 C ATOM 157 CZ PHE A 11 -7.755 -1.899 -7.166 1.00 0.00 C ATOM 0 H PHE A 11 -10.932 4.201 -9.034 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.650 2.440 -8.893 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.221 2.139 -6.755 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.228 1.258 -7.887 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.806 1.391 -6.443 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.690 -0.953 -8.523 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.401 -0.602 -6.142 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.286 -2.947 -8.228 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.138 -2.775 -7.034 1.00 0.00 H new ATOM 167 N HIS A 12 -9.555 2.155 -11.212 1.00 0.00 N ATOM 168 CA HIS A 12 -10.004 1.750 -12.538 1.00 0.00 C ATOM 169 C HIS A 12 -9.853 0.242 -12.742 1.00 0.00 C ATOM 170 O HIS A 12 -10.779 -0.421 -13.209 1.00 0.00 O ATOM 171 CB HIS A 12 -9.227 2.505 -13.618 1.00 0.00 C ATOM 172 CG HIS A 12 -9.919 2.533 -14.944 1.00 0.00 C ATOM 173 ND1 HIS A 12 -10.034 3.673 -15.712 1.00 0.00 N ATOM 174 CD2 HIS A 12 -10.534 1.549 -15.644 1.00 0.00 C ATOM 175 CE1 HIS A 12 -10.690 3.391 -16.823 1.00 0.00 C ATOM 176 NE2 HIS A 12 -11.004 2.109 -16.807 1.00 0.00 N ATOM 0 H HIS A 12 -8.609 2.536 -11.186 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.062 1.998 -12.620 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -9.058 3.529 -13.284 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.247 2.043 -13.739 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.636 0.517 -15.343 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.929 4.090 -17.611 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.513 1.614 -17.539 1.00 0.00 H new ATOM 185 N PRO A 13 -8.681 -0.327 -12.400 1.00 0.00 N ATOM 186 CA PRO A 13 -8.428 -1.759 -12.557 1.00 0.00 C ATOM 187 C PRO A 13 -8.981 -2.581 -11.398 1.00 0.00 C ATOM 188 O PRO A 13 -9.603 -2.043 -10.483 1.00 0.00 O ATOM 189 CB PRO A 13 -6.904 -1.828 -12.583 1.00 0.00 C ATOM 190 CG PRO A 13 -6.466 -0.708 -11.703 1.00 0.00 C ATOM 191 CD PRO A 13 -7.508 0.376 -11.837 1.00 0.00 C ATOM 0 HA PRO A 13 -8.911 -2.170 -13.443 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.544 -2.788 -12.213 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.518 -1.711 -13.596 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.381 -1.039 -10.668 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.484 -0.341 -12.002 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.739 0.830 -10.873 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.169 1.177 -12.494 1.00 0.00 H new ATOM 199 N SER A 14 -8.744 -3.888 -11.445 1.00 0.00 N ATOM 200 CA SER A 14 -9.213 -4.790 -10.398 1.00 0.00 C ATOM 201 C SER A 14 -8.035 -5.413 -9.657 1.00 0.00 C ATOM 202 O SER A 14 -7.883 -5.234 -8.448 1.00 0.00 O ATOM 203 CB SER A 14 -10.089 -5.890 -10.998 1.00 0.00 C ATOM 204 OG SER A 14 -11.458 -5.523 -10.973 1.00 0.00 O ATOM 0 H SER A 14 -8.230 -4.347 -12.197 1.00 0.00 H new ATOM 0 HA SER A 14 -9.805 -4.211 -9.689 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.780 -6.085 -12.025 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.947 -6.816 -10.441 1.00 0.00 H new ATOM 0 HG SER A 14 -11.997 -6.242 -11.364 1.00 0.00 H new ATOM 210 N ASP A 15 -7.201 -6.142 -10.390 1.00 0.00 N ATOM 211 CA ASP A 15 -6.034 -6.789 -9.803 1.00 0.00 C ATOM 212 C ASP A 15 -4.748 -6.148 -10.317 1.00 0.00 C ATOM 213 O ASP A 15 -4.340 -6.379 -11.454 1.00 0.00 O ATOM 214 CB ASP A 15 -6.035 -8.285 -10.123 1.00 0.00 C ATOM 215 CG ASP A 15 -6.023 -8.557 -11.615 1.00 0.00 C ATOM 216 OD1 ASP A 15 -7.076 -8.374 -12.260 1.00 0.00 O ATOM 217 OD2 ASP A 15 -4.960 -8.954 -12.137 1.00 0.00 O ATOM 0 H ASP A 15 -7.311 -6.300 -11.392 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.081 -6.659 -8.722 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.164 -8.753 -9.664 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.916 -8.748 -9.679 1.00 0.00 H new ATOM 222 N ILE A 16 -4.119 -5.339 -9.472 1.00 0.00 N ATOM 223 CA ILE A 16 -2.881 -4.661 -9.843 1.00 0.00 C ATOM 224 C ILE A 16 -1.725 -5.093 -8.949 1.00 0.00 C ATOM 225 O ILE A 16 -1.758 -4.897 -7.735 1.00 0.00 O ATOM 226 CB ILE A 16 -3.031 -3.129 -9.763 1.00 0.00 C ATOM 227 CG1 ILE A 16 -3.792 -2.731 -8.497 1.00 0.00 C ATOM 228 CG2 ILE A 16 -3.742 -2.604 -11.001 1.00 0.00 C ATOM 229 CD1 ILE A 16 -3.492 -1.324 -8.029 1.00 0.00 C ATOM 0 H ILE A 16 -4.445 -5.136 -8.527 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.665 -4.945 -10.873 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.037 -2.684 -9.719 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.862 -2.823 -8.682 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.545 -3.431 -7.699 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.841 -1.521 -10.932 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.163 -2.859 -11.889 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.732 -3.055 -11.071 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.066 -1.110 -7.127 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.428 -1.232 -7.812 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.766 -0.615 -8.810 1.00 0.00 H new ATOM 241 N GLU A 17 -0.703 -5.682 -9.560 1.00 0.00 N ATOM 242 CA GLU A 17 0.466 -6.143 -8.822 1.00 0.00 C ATOM 243 C GLU A 17 1.725 -5.425 -9.294 1.00 0.00 C ATOM 244 O GLU A 17 2.435 -5.912 -10.174 1.00 0.00 O ATOM 245 CB GLU A 17 0.635 -7.653 -8.988 1.00 0.00 C ATOM 246 CG GLU A 17 0.527 -8.121 -10.430 1.00 0.00 C ATOM 247 CD GLU A 17 -0.911 -8.266 -10.889 1.00 0.00 C ATOM 248 OE1 GLU A 17 -1.662 -9.038 -10.255 1.00 0.00 O ATOM 249 OE2 GLU A 17 -1.287 -7.607 -11.880 1.00 0.00 O ATOM 0 H GLU A 17 -0.661 -5.851 -10.565 1.00 0.00 H new ATOM 0 HA GLU A 17 0.313 -5.914 -7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.606 -7.948 -8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.121 -8.163 -8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.042 -7.412 -11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.037 -9.078 -10.537 1.00 0.00 H new ATOM 256 N VAL A 18 1.996 -4.267 -8.704 1.00 0.00 N ATOM 257 CA VAL A 18 3.170 -3.484 -9.065 1.00 0.00 C ATOM 258 C VAL A 18 4.450 -4.175 -8.608 1.00 0.00 C ATOM 259 O VAL A 18 4.466 -4.859 -7.584 1.00 0.00 O ATOM 260 CB VAL A 18 3.116 -2.072 -8.453 1.00 0.00 C ATOM 261 CG1 VAL A 18 4.239 -1.207 -9.004 1.00 0.00 C ATOM 262 CG2 VAL A 18 1.761 -1.428 -8.709 1.00 0.00 C ATOM 0 H VAL A 18 1.419 -3.850 -7.974 1.00 0.00 H new ATOM 0 HA VAL A 18 3.172 -3.399 -10.152 1.00 0.00 H new ATOM 0 HB VAL A 18 3.252 -2.159 -7.375 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.184 -0.213 -8.560 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.200 -1.660 -8.761 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.139 -1.127 -10.086 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.743 -0.431 -8.269 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.591 -1.354 -9.783 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.978 -2.038 -8.259 1.00 0.00 H new ATOM 272 N ASP A 19 5.522 -3.992 -9.373 1.00 0.00 N ATOM 273 CA ASP A 19 6.808 -4.599 -9.046 1.00 0.00 C ATOM 274 C ASP A 19 7.962 -3.716 -9.510 1.00 0.00 C ATOM 275 O ASP A 19 7.847 -3.001 -10.507 1.00 0.00 O ATOM 276 CB ASP A 19 6.920 -5.984 -9.684 1.00 0.00 C ATOM 277 CG ASP A 19 8.202 -6.696 -9.298 1.00 0.00 C ATOM 278 OD1 ASP A 19 8.791 -6.334 -8.258 1.00 0.00 O ATOM 279 OD2 ASP A 19 8.618 -7.614 -10.036 1.00 0.00 O ATOM 0 H ASP A 19 5.526 -3.429 -10.223 1.00 0.00 H new ATOM 0 HA ASP A 19 6.867 -4.701 -7.962 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.066 -6.590 -9.382 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.874 -5.886 -10.769 1.00 0.00 H new ATOM 284 N LEU A 20 9.071 -3.771 -8.783 1.00 0.00 N ATOM 285 CA LEU A 20 10.247 -2.978 -9.119 1.00 0.00 C ATOM 286 C LEU A 20 11.528 -3.761 -8.849 1.00 0.00 C ATOM 287 O LEU A 20 11.855 -4.059 -7.701 1.00 0.00 O ATOM 288 CB LEU A 20 10.252 -1.672 -8.317 1.00 0.00 C ATOM 289 CG LEU A 20 10.553 -0.414 -9.131 1.00 0.00 C ATOM 290 CD1 LEU A 20 11.844 -0.582 -9.916 1.00 0.00 C ATOM 291 CD2 LEU A 20 9.396 -0.095 -10.065 1.00 0.00 C ATOM 0 H LEU A 20 9.181 -4.357 -7.956 1.00 0.00 H new ATOM 0 HA LEU A 20 10.206 -2.744 -10.183 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.279 -1.553 -7.839 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.991 -1.756 -7.520 1.00 0.00 H new ATOM 0 HG LEU A 20 10.678 0.421 -8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.042 0.324 -10.489 1.00 0.00 H new ATOM 0 HD12 LEU A 20 12.668 -0.762 -9.226 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.749 -1.428 -10.596 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.627 0.804 -10.637 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.239 -0.930 -10.748 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.491 0.070 -9.480 1.00 0.00 H new ATOM 303 N LEU A 21 12.247 -4.095 -9.916 1.00 0.00 N ATOM 304 CA LEU A 21 13.492 -4.846 -9.797 1.00 0.00 C ATOM 305 C LEU A 21 14.501 -4.098 -8.931 1.00 0.00 C ATOM 306 O LEU A 21 14.820 -4.526 -7.822 1.00 0.00 O ATOM 307 CB LEU A 21 14.087 -5.110 -11.182 1.00 0.00 C ATOM 308 CG LEU A 21 15.330 -5.999 -11.193 1.00 0.00 C ATOM 309 CD1 LEU A 21 14.939 -7.460 -11.362 1.00 0.00 C ATOM 310 CD2 LEU A 21 16.283 -5.570 -12.300 1.00 0.00 C ATOM 0 H LEU A 21 11.989 -3.857 -10.874 1.00 0.00 H new ATOM 0 HA LEU A 21 13.267 -5.799 -9.318 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.323 -5.572 -11.807 1.00 0.00 H new ATOM 0 HB3 LEU A 21 14.339 -4.154 -11.641 1.00 0.00 H new ATOM 0 HG LEU A 21 15.841 -5.888 -10.237 1.00 0.00 H new ATOM 0 HD11 LEU A 21 15.836 -8.079 -11.368 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.295 -7.762 -10.536 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.405 -7.587 -12.304 1.00 0.00 H new ATOM 0 HD21 LEU A 21 17.162 -6.214 -12.293 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.781 -5.652 -13.264 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.589 -4.537 -12.137 1.00 0.00 H new ATOM 322 N LYS A 22 15.001 -2.979 -9.446 1.00 0.00 N ATOM 323 CA LYS A 22 15.975 -2.173 -8.719 1.00 0.00 C ATOM 324 C LYS A 22 15.278 -1.132 -7.850 1.00 0.00 C ATOM 325 O LYS A 22 15.956 -0.182 -7.406 1.00 0.00 O ATOM 326 CB LYS A 22 16.929 -1.483 -9.696 1.00 0.00 C ATOM 327 CG LYS A 22 16.243 -0.483 -10.613 1.00 0.00 C ATOM 328 CD LYS A 22 15.950 -1.088 -11.977 1.00 0.00 C ATOM 329 CE LYS A 22 14.663 -0.536 -12.566 1.00 0.00 C ATOM 330 NZ LYS A 22 14.578 0.944 -12.428 1.00 0.00 N ATOM 331 OXT LYS A 22 14.059 -1.277 -7.620 1.00 0.00 O ATOM 0 H LYS A 22 14.748 -2.610 -10.363 1.00 0.00 H new ATOM 0 HA LYS A 22 16.548 -2.837 -8.071 1.00 0.00 H new ATOM 0 HB2 LYS A 22 17.707 -0.970 -9.130 1.00 0.00 H new ATOM 0 HB3 LYS A 22 17.424 -2.241 -10.304 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.313 -0.147 -10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.876 0.397 -10.732 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.779 -0.881 -12.654 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.875 -2.172 -11.887 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.601 -0.806 -13.620 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.809 -0.996 -12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.915 1.321 -13.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.241 1.185 -11.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.519 1.361 -12.579 1.00 0.00 H new TER 345 LYS A 22 ATOM 346 N SER B 23 16.611 7.929 -4.758 1.00 0.00 N ATOM 347 CA SER B 23 16.049 7.182 -3.602 1.00 0.00 C ATOM 348 C SER B 23 14.826 7.891 -3.031 1.00 0.00 C ATOM 349 O SER B 23 14.950 8.842 -2.260 1.00 0.00 O ATOM 350 CB SER B 23 17.134 7.056 -2.530 1.00 0.00 C ATOM 351 OG SER B 23 18.065 6.040 -2.863 1.00 0.00 O ATOM 0 HA SER B 23 15.731 6.194 -3.934 1.00 0.00 H new ATOM 0 HB2 SER B 23 17.654 8.008 -2.420 1.00 0.00 H new ATOM 0 HB3 SER B 23 16.674 6.831 -1.568 1.00 0.00 H new ATOM 0 HG SER B 23 17.873 5.235 -2.338 1.00 0.00 H new ATOM 359 N ASN B 24 13.643 7.422 -3.416 1.00 0.00 N ATOM 360 CA ASN B 24 12.396 8.012 -2.942 1.00 0.00 C ATOM 361 C ASN B 24 11.229 7.047 -3.132 1.00 0.00 C ATOM 362 O ASN B 24 10.772 6.824 -4.253 1.00 0.00 O ATOM 363 CB ASN B 24 12.115 9.322 -3.680 1.00 0.00 C ATOM 364 CG ASN B 24 10.983 10.110 -3.050 1.00 0.00 C ATOM 365 OD1 ASN B 24 10.578 9.841 -1.920 1.00 0.00 O ATOM 366 ND2 ASN B 24 10.467 11.092 -3.781 1.00 0.00 N ATOM 0 H ASN B 24 13.522 6.636 -4.054 1.00 0.00 H new ATOM 0 HA ASN B 24 12.503 8.218 -1.877 1.00 0.00 H new ATOM 0 HB2 ASN B 24 13.018 9.932 -3.688 1.00 0.00 H new ATOM 0 HB3 ASN B 24 11.868 9.105 -4.719 1.00 0.00 H new ATOM 0 HD21 ASN B 24 9.704 11.658 -3.409 1.00 0.00 H new ATOM 0 HD22 ASN B 24 10.834 11.280 -4.714 1.00 0.00 H new ATOM 373 N PHE B 25 10.753 6.477 -2.029 1.00 0.00 N ATOM 374 CA PHE B 25 9.640 5.536 -2.077 1.00 0.00 C ATOM 375 C PHE B 25 8.338 6.207 -1.645 1.00 0.00 C ATOM 376 O PHE B 25 8.236 6.727 -0.534 1.00 0.00 O ATOM 377 CB PHE B 25 9.927 4.327 -1.181 1.00 0.00 C ATOM 378 CG PHE B 25 8.755 3.395 -1.036 1.00 0.00 C ATOM 379 CD1 PHE B 25 8.392 2.551 -2.073 1.00 0.00 C ATOM 380 CD2 PHE B 25 8.015 3.371 0.135 1.00 0.00 C ATOM 381 CE1 PHE B 25 7.311 1.699 -1.944 1.00 0.00 C ATOM 382 CE2 PHE B 25 6.933 2.521 0.268 1.00 0.00 C ATOM 383 CZ PHE B 25 6.581 1.683 -0.772 1.00 0.00 C ATOM 0 H PHE B 25 11.120 6.650 -1.093 1.00 0.00 H new ATOM 0 HA PHE B 25 9.528 5.198 -3.107 1.00 0.00 H new ATOM 0 HB2 PHE B 25 10.772 3.774 -1.591 1.00 0.00 H new ATOM 0 HB3 PHE B 25 10.225 4.679 -0.194 1.00 0.00 H new ATOM 0 HD1 PHE B 25 8.960 2.559 -2.992 1.00 0.00 H new ATOM 0 HD2 PHE B 25 8.286 4.023 0.952 1.00 0.00 H new ATOM 0 HE1 PHE B 25 7.038 1.046 -2.760 1.00 0.00 H new ATOM 0 HE2 PHE B 25 6.363 2.512 1.185 1.00 0.00 H new ATOM 0 HZ PHE B 25 5.737 1.017 -0.669 1.00 0.00 H new ATOM 393 N LEU B 26 7.346 6.183 -2.529 1.00 0.00 N ATOM 394 CA LEU B 26 6.050 6.783 -2.238 1.00 0.00 C ATOM 395 C LEU B 26 4.951 5.720 -2.231 1.00 0.00 C ATOM 396 O LEU B 26 4.747 5.019 -3.221 1.00 0.00 O ATOM 397 CB LEU B 26 5.726 7.872 -3.264 1.00 0.00 C ATOM 398 CG LEU B 26 5.850 9.306 -2.748 1.00 0.00 C ATOM 399 CD1 LEU B 26 7.264 9.827 -2.954 1.00 0.00 C ATOM 400 CD2 LEU B 26 4.841 10.208 -3.442 1.00 0.00 C ATOM 0 H LEU B 26 7.415 5.755 -3.452 1.00 0.00 H new ATOM 0 HA LEU B 26 6.097 7.236 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU B 26 6.390 7.752 -4.120 1.00 0.00 H new ATOM 0 HB3 LEU B 26 4.709 7.719 -3.625 1.00 0.00 H new ATOM 0 HG LEU B 26 5.637 9.309 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU B 26 7.333 10.849 -2.581 1.00 0.00 H new ATOM 0 HD12 LEU B 26 7.967 9.194 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU B 26 7.506 9.812 -4.017 1.00 0.00 H new ATOM 0 HD21 LEU B 26 4.942 11.225 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU B 26 5.025 10.200 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU B 26 3.832 9.846 -3.244 1.00 0.00 H new ATOM 412 N ASN B 27 4.248 5.609 -1.108 1.00 0.00 N ATOM 413 CA ASN B 27 3.170 4.634 -0.970 1.00 0.00 C ATOM 414 C ASN B 27 2.084 5.161 -0.035 1.00 0.00 C ATOM 415 O ASN B 27 2.242 5.137 1.187 1.00 0.00 O ATOM 416 CB ASN B 27 3.720 3.308 -0.438 1.00 0.00 C ATOM 417 CG ASN B 27 2.642 2.255 -0.270 1.00 0.00 C ATOM 418 OD1 ASN B 27 2.568 1.584 0.760 1.00 0.00 O ATOM 419 ND2 ASN B 27 1.797 2.103 -1.284 1.00 0.00 N ATOM 0 H ASN B 27 4.405 6.183 -0.279 1.00 0.00 H new ATOM 0 HA ASN B 27 2.731 4.467 -1.954 1.00 0.00 H new ATOM 0 HB2 ASN B 27 4.483 2.935 -1.121 1.00 0.00 H new ATOM 0 HB3 ASN B 27 4.207 3.480 0.522 1.00 0.00 H new ATOM 0 HD21 ASN B 27 1.051 1.409 -1.227 1.00 0.00 H new ATOM 0 HD22 ASN B 27 1.894 2.680 -2.120 1.00 0.00 H new ATOM 426 N CYS B 28 0.985 5.649 -0.610 1.00 0.00 N ATOM 427 CA CYS B 28 -0.112 6.192 0.192 1.00 0.00 C ATOM 428 C CYS B 28 -1.454 6.072 -0.529 1.00 0.00 C ATOM 429 O CYS B 28 -1.574 6.429 -1.700 1.00 0.00 O ATOM 430 CB CYS B 28 0.148 7.665 0.526 1.00 0.00 C ATOM 431 SG CYS B 28 1.843 8.038 1.034 1.00 0.00 S ATOM 0 H CYS B 28 0.831 5.680 -1.618 1.00 0.00 H new ATOM 0 HA CYS B 28 -0.159 5.606 1.110 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -0.096 8.270 -0.347 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -0.531 7.968 1.323 1.00 0.00 H new ATOM 0 HG CYS B 28 2.409 6.958 1.484 1.00 0.00 H new ATOM 437 N TYR B 29 -2.469 5.591 0.185 1.00 0.00 N ATOM 438 CA TYR B 29 -3.806 5.452 -0.386 1.00 0.00 C ATOM 439 C TYR B 29 -4.850 6.076 0.542 1.00 0.00 C ATOM 440 O TYR B 29 -4.870 5.800 1.743 1.00 0.00 O ATOM 441 CB TYR B 29 -4.123 3.971 -0.686 1.00 0.00 C ATOM 442 CG TYR B 29 -4.944 3.249 0.369 1.00 0.00 C ATOM 443 CD1 TYR B 29 -6.255 3.624 0.641 1.00 0.00 C ATOM 444 CD2 TYR B 29 -4.407 2.185 1.084 1.00 0.00 C ATOM 445 CE1 TYR B 29 -7.005 2.962 1.594 1.00 0.00 C ATOM 446 CE2 TYR B 29 -5.153 1.516 2.037 1.00 0.00 C ATOM 447 CZ TYR B 29 -6.449 1.909 2.289 1.00 0.00 C ATOM 448 OH TYR B 29 -7.192 1.248 3.240 1.00 0.00 O ATOM 0 H TYR B 29 -2.392 5.292 1.157 1.00 0.00 H new ATOM 0 HA TYR B 29 -3.839 5.990 -1.333 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -4.656 3.917 -1.635 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -3.182 3.436 -0.818 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -6.695 4.447 0.098 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -3.390 1.876 0.892 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -8.021 3.268 1.793 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -4.721 0.689 2.581 1.00 0.00 H new ATOM 0 HH TYR B 29 -7.452 0.367 2.898 1.00 0.00 H new ATOM 458 N VAL B 30 -5.707 6.927 -0.019 1.00 0.00 N ATOM 459 CA VAL B 30 -6.738 7.597 0.767 1.00 0.00 C ATOM 460 C VAL B 30 -8.122 7.435 0.144 1.00 0.00 C ATOM 461 O VAL B 30 -8.363 7.873 -0.982 1.00 0.00 O ATOM 462 CB VAL B 30 -6.432 9.101 0.920 1.00 0.00 C ATOM 463 CG1 VAL B 30 -7.443 9.770 1.841 1.00 0.00 C ATOM 464 CG2 VAL B 30 -5.014 9.305 1.431 1.00 0.00 C ATOM 0 H VAL B 30 -5.707 7.167 -1.010 1.00 0.00 H new ATOM 0 HA VAL B 30 -6.736 7.122 1.748 1.00 0.00 H new ATOM 0 HB VAL B 30 -6.513 9.569 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -7.206 10.830 1.933 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -8.444 9.657 1.425 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -7.404 9.303 2.825 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -4.814 10.372 1.533 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -4.904 8.820 2.401 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -4.307 8.869 0.725 1.00 0.00 H new ATOM 474 N SER B 31 -9.031 6.813 0.892 1.00 0.00 N ATOM 475 CA SER B 31 -10.402 6.599 0.429 1.00 0.00 C ATOM 476 C SER B 31 -10.434 5.970 -0.964 1.00 0.00 C ATOM 477 O SER B 31 -9.391 5.711 -1.563 1.00 0.00 O ATOM 478 CB SER B 31 -11.166 7.924 0.417 1.00 0.00 C ATOM 479 OG SER B 31 -11.031 8.601 1.656 1.00 0.00 O ATOM 0 H SER B 31 -8.842 6.447 1.825 1.00 0.00 H new ATOM 0 HA SER B 31 -10.881 5.908 1.122 1.00 0.00 H new ATOM 0 HB2 SER B 31 -10.793 8.556 -0.389 1.00 0.00 H new ATOM 0 HB3 SER B 31 -12.221 7.738 0.214 1.00 0.00 H new ATOM 0 HG SER B 31 -11.527 9.446 1.623 1.00 0.00 H new ATOM 485 N GLY B 32 -11.643 5.728 -1.469 1.00 0.00 N ATOM 486 CA GLY B 32 -11.804 5.131 -2.786 1.00 0.00 C ATOM 487 C GLY B 32 -10.895 3.936 -3.006 1.00 0.00 C ATOM 488 O GLY B 32 -9.740 4.090 -3.400 1.00 0.00 O ATOM 0 H GLY B 32 -12.517 5.936 -0.987 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -12.841 4.821 -2.915 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -11.599 5.883 -3.548 1.00 0.00 H new ATOM 492 N PHE B 33 -11.418 2.741 -2.747 1.00 0.00 N ATOM 493 CA PHE B 33 -10.644 1.518 -2.915 1.00 0.00 C ATOM 494 C PHE B 33 -11.413 0.486 -3.736 1.00 0.00 C ATOM 495 O PHE B 33 -10.851 -0.155 -4.624 1.00 0.00 O ATOM 496 CB PHE B 33 -10.279 0.935 -1.549 1.00 0.00 C ATOM 497 CG PHE B 33 -8.825 0.585 -1.418 1.00 0.00 C ATOM 498 CD1 PHE B 33 -7.845 1.549 -1.599 1.00 0.00 C ATOM 499 CD2 PHE B 33 -8.439 -0.710 -1.115 1.00 0.00 C ATOM 500 CE1 PHE B 33 -6.506 1.228 -1.480 1.00 0.00 C ATOM 501 CE2 PHE B 33 -7.104 -1.039 -0.994 1.00 0.00 C ATOM 502 CZ PHE B 33 -6.135 -0.068 -1.177 1.00 0.00 C ATOM 0 H PHE B 33 -12.373 2.595 -2.421 1.00 0.00 H new ATOM 0 HA PHE B 33 -9.731 1.768 -3.455 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -10.543 1.654 -0.773 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -10.877 0.041 -1.372 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -8.131 2.563 -1.836 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -9.191 -1.471 -0.972 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -5.752 1.988 -1.623 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -6.816 -2.053 -0.757 1.00 0.00 H new ATOM 0 HZ PHE B 33 -5.090 -0.323 -1.083 1.00 0.00 H new ATOM 512 N HIS B 34 -12.698 0.328 -3.429 1.00 0.00 N ATOM 513 CA HIS B 34 -13.541 -0.630 -4.136 1.00 0.00 C ATOM 514 C HIS B 34 -13.044 -2.059 -3.909 1.00 0.00 C ATOM 515 O HIS B 34 -11.841 -2.317 -3.942 1.00 0.00 O ATOM 516 CB HIS B 34 -13.565 -0.319 -5.635 1.00 0.00 C ATOM 517 CG HIS B 34 -14.166 1.012 -5.965 1.00 0.00 C ATOM 518 ND1 HIS B 34 -15.090 1.193 -6.973 1.00 0.00 N ATOM 519 CD2 HIS B 34 -13.970 2.234 -5.414 1.00 0.00 C ATOM 520 CE1 HIS B 34 -15.435 2.467 -7.029 1.00 0.00 C ATOM 521 NE2 HIS B 34 -14.770 3.120 -6.094 1.00 0.00 N ATOM 0 H HIS B 34 -13.177 0.851 -2.696 1.00 0.00 H new ATOM 0 HA HIS B 34 -14.553 -0.545 -3.741 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -12.546 -0.353 -6.020 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -14.126 -1.099 -6.150 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -13.308 2.468 -4.593 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -16.141 2.901 -7.722 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -14.839 4.120 -5.907 1.00 0.00 H new ATOM 530 N PRO B 35 -13.966 -3.012 -3.674 1.00 0.00 N ATOM 531 CA PRO B 35 -13.606 -4.415 -3.444 1.00 0.00 C ATOM 532 C PRO B 35 -12.688 -4.960 -4.534 1.00 0.00 C ATOM 533 O PRO B 35 -13.154 -5.427 -5.574 1.00 0.00 O ATOM 534 CB PRO B 35 -14.954 -5.137 -3.469 1.00 0.00 C ATOM 535 CG PRO B 35 -15.946 -4.100 -3.075 1.00 0.00 C ATOM 536 CD PRO B 35 -15.424 -2.798 -3.618 1.00 0.00 C ATOM 0 HA PRO B 35 -13.055 -4.549 -2.513 1.00 0.00 H new ATOM 0 HB2 PRO B 35 -15.171 -5.536 -4.460 1.00 0.00 H new ATOM 0 HB3 PRO B 35 -14.965 -5.979 -2.777 1.00 0.00 H new ATOM 0 HG2 PRO B 35 -16.930 -4.327 -3.484 1.00 0.00 H new ATOM 0 HG3 PRO B 35 -16.054 -4.055 -1.991 1.00 0.00 H new ATOM 0 HD2 PRO B 35 -15.836 -2.579 -4.603 1.00 0.00 H new ATOM 0 HD3 PRO B 35 -15.683 -1.960 -2.971 1.00 0.00 H new ATOM 544 N SER B 36 -11.383 -4.896 -4.290 1.00 0.00 N ATOM 545 CA SER B 36 -10.403 -5.382 -5.253 1.00 0.00 C ATOM 546 C SER B 36 -9.152 -5.899 -4.548 1.00 0.00 C ATOM 547 O SER B 36 -9.150 -6.098 -3.333 1.00 0.00 O ATOM 548 CB SER B 36 -10.027 -4.266 -6.229 1.00 0.00 C ATOM 549 OG SER B 36 -11.167 -3.521 -6.617 1.00 0.00 O ATOM 0 H SER B 36 -10.981 -4.513 -3.435 1.00 0.00 H new ATOM 0 HA SER B 36 -10.851 -6.208 -5.805 1.00 0.00 H new ATOM 0 HB2 SER B 36 -9.297 -3.603 -5.764 1.00 0.00 H new ATOM 0 HB3 SER B 36 -9.552 -4.695 -7.111 1.00 0.00 H new ATOM 0 HG SER B 36 -10.884 -2.724 -7.112 1.00 0.00 H new ATOM 555 N ASP B 37 -8.090 -6.117 -5.320 1.00 0.00 N ATOM 556 CA ASP B 37 -6.834 -6.614 -4.769 1.00 0.00 C ATOM 557 C ASP B 37 -5.637 -5.939 -5.435 1.00 0.00 C ATOM 558 O ASP B 37 -5.647 -5.680 -6.640 1.00 0.00 O ATOM 559 CB ASP B 37 -6.741 -8.131 -4.948 1.00 0.00 C ATOM 560 CG ASP B 37 -5.483 -8.716 -4.336 1.00 0.00 C ATOM 561 OD1 ASP B 37 -4.379 -8.238 -4.674 1.00 0.00 O ATOM 562 OD2 ASP B 37 -5.600 -9.653 -3.520 1.00 0.00 O ATOM 0 H ASP B 37 -8.075 -5.957 -6.327 1.00 0.00 H new ATOM 0 HA ASP B 37 -6.815 -6.376 -3.706 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -7.613 -8.601 -4.494 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -6.768 -8.370 -6.011 1.00 0.00 H new ATOM 567 N ILE B 38 -4.604 -5.667 -4.643 1.00 0.00 N ATOM 568 CA ILE B 38 -3.393 -5.034 -5.152 1.00 0.00 C ATOM 569 C ILE B 38 -2.176 -5.465 -4.336 1.00 0.00 C ATOM 570 O ILE B 38 -2.279 -5.705 -3.133 1.00 0.00 O ATOM 571 CB ILE B 38 -3.502 -3.486 -5.153 1.00 0.00 C ATOM 572 CG1 ILE B 38 -3.124 -2.896 -3.788 1.00 0.00 C ATOM 573 CG2 ILE B 38 -4.907 -3.052 -5.548 1.00 0.00 C ATOM 574 CD1 ILE B 38 -1.737 -2.292 -3.758 1.00 0.00 C ATOM 0 H ILE B 38 -4.582 -5.876 -3.645 1.00 0.00 H new ATOM 0 HA ILE B 38 -3.272 -5.363 -6.184 1.00 0.00 H new ATOM 0 HB ILE B 38 -2.795 -3.103 -5.889 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -3.851 -2.131 -3.517 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -3.188 -3.678 -3.032 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -4.966 -1.964 -5.544 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -5.135 -3.424 -6.547 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -5.627 -3.457 -4.837 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -1.535 -1.894 -2.764 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -1.001 -3.059 -3.998 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -1.675 -1.487 -4.491 1.00 0.00 H new ATOM 586 N GLU B 39 -1.027 -5.563 -4.992 1.00 0.00 N ATOM 587 CA GLU B 39 0.198 -5.967 -4.314 1.00 0.00 C ATOM 588 C GLU B 39 1.403 -5.211 -4.860 1.00 0.00 C ATOM 589 O GLU B 39 1.618 -5.157 -6.071 1.00 0.00 O ATOM 590 CB GLU B 39 0.417 -7.473 -4.465 1.00 0.00 C ATOM 591 CG GLU B 39 1.636 -7.987 -3.714 1.00 0.00 C ATOM 592 CD GLU B 39 1.293 -9.079 -2.720 1.00 0.00 C ATOM 593 OE1 GLU B 39 0.296 -9.796 -2.946 1.00 0.00 O ATOM 594 OE2 GLU B 39 2.023 -9.217 -1.715 1.00 0.00 O ATOM 0 H GLU B 39 -0.917 -5.369 -5.987 1.00 0.00 H new ATOM 0 HA GLU B 39 0.091 -5.725 -3.257 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -0.468 -7.999 -4.107 1.00 0.00 H new ATOM 0 HB3 GLU B 39 0.524 -7.712 -5.523 1.00 0.00 H new ATOM 0 HG2 GLU B 39 2.364 -8.368 -4.430 1.00 0.00 H new ATOM 0 HG3 GLU B 39 2.110 -7.158 -3.188 1.00 0.00 H new ATOM 601 N VAL B 40 2.190 -4.634 -3.957 1.00 0.00 N ATOM 602 CA VAL B 40 3.377 -3.887 -4.349 1.00 0.00 C ATOM 603 C VAL B 40 4.644 -4.626 -3.934 1.00 0.00 C ATOM 604 O VAL B 40 4.862 -4.893 -2.753 1.00 0.00 O ATOM 605 CB VAL B 40 3.394 -2.477 -3.730 1.00 0.00 C ATOM 606 CG1 VAL B 40 4.595 -1.690 -4.234 1.00 0.00 C ATOM 607 CG2 VAL B 40 2.098 -1.743 -4.037 1.00 0.00 C ATOM 0 H VAL B 40 2.026 -4.670 -2.951 1.00 0.00 H new ATOM 0 HA VAL B 40 3.346 -3.792 -5.434 1.00 0.00 H new ATOM 0 HB VAL B 40 3.480 -2.574 -2.648 1.00 0.00 H new ATOM 0 HG11 VAL B 40 4.592 -0.696 -3.787 1.00 0.00 H new ATOM 0 HG12 VAL B 40 5.512 -2.210 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL B 40 4.542 -1.600 -5.319 1.00 0.00 H new ATOM 0 HG21 VAL B 40 2.129 -0.749 -3.591 1.00 0.00 H new ATOM 0 HG22 VAL B 40 1.978 -1.653 -5.117 1.00 0.00 H new ATOM 0 HG23 VAL B 40 1.257 -2.300 -3.623 1.00 0.00 H new ATOM 617 N ASP B 41 5.477 -4.952 -4.915 1.00 0.00 N ATOM 618 CA ASP B 41 6.724 -5.660 -4.655 1.00 0.00 C ATOM 619 C ASP B 41 7.924 -4.824 -5.089 1.00 0.00 C ATOM 620 O ASP B 41 8.330 -4.859 -6.250 1.00 0.00 O ATOM 621 CB ASP B 41 6.733 -7.003 -5.386 1.00 0.00 C ATOM 622 CG ASP B 41 7.753 -7.969 -4.812 1.00 0.00 C ATOM 623 OD1 ASP B 41 8.326 -7.664 -3.745 1.00 0.00 O ATOM 624 OD2 ASP B 41 7.979 -9.030 -5.430 1.00 0.00 O ATOM 0 H ASP B 41 5.311 -4.737 -5.898 1.00 0.00 H new ATOM 0 HA ASP B 41 6.796 -5.837 -3.582 1.00 0.00 H new ATOM 0 HB2 ASP B 41 5.741 -7.451 -5.329 1.00 0.00 H new ATOM 0 HB3 ASP B 41 6.948 -6.837 -6.442 1.00 0.00 H new ATOM 629 N LEU B 42 8.489 -4.077 -4.146 1.00 0.00 N ATOM 630 CA LEU B 42 9.646 -3.234 -4.429 1.00 0.00 C ATOM 631 C LEU B 42 10.896 -3.790 -3.753 1.00 0.00 C ATOM 632 O LEU B 42 10.964 -3.876 -2.526 1.00 0.00 O ATOM 633 CB LEU B 42 9.388 -1.800 -3.961 1.00 0.00 C ATOM 634 CG LEU B 42 8.932 -0.832 -5.055 1.00 0.00 C ATOM 635 CD1 LEU B 42 7.443 -0.990 -5.323 1.00 0.00 C ATOM 636 CD2 LEU B 42 9.254 0.603 -4.664 1.00 0.00 C ATOM 0 H LEU B 42 8.165 -4.038 -3.180 1.00 0.00 H new ATOM 0 HA LEU B 42 9.809 -3.228 -5.507 1.00 0.00 H new ATOM 0 HB2 LEU B 42 8.631 -1.821 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU B 42 10.302 -1.411 -3.511 1.00 0.00 H new ATOM 0 HG LEU B 42 9.472 -1.070 -5.971 1.00 0.00 H new ATOM 0 HD11 LEU B 42 7.138 -0.293 -6.104 1.00 0.00 H new ATOM 0 HD12 LEU B 42 7.238 -2.010 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU B 42 6.885 -0.780 -4.411 1.00 0.00 H new ATOM 0 HD21 LEU B 42 8.923 1.278 -5.453 1.00 0.00 H new ATOM 0 HD22 LEU B 42 8.740 0.851 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU B 42 10.330 0.709 -4.523 1.00 0.00 H new ATOM 648 N LEU B 43 11.883 -4.166 -4.560 1.00 0.00 N ATOM 649 CA LEU B 43 13.129 -4.713 -4.037 1.00 0.00 C ATOM 650 C LEU B 43 14.135 -3.600 -3.759 1.00 0.00 C ATOM 651 O LEU B 43 14.491 -2.834 -4.655 1.00 0.00 O ATOM 652 CB LEU B 43 13.721 -5.725 -5.023 1.00 0.00 C ATOM 653 CG LEU B 43 13.978 -7.118 -4.444 1.00 0.00 C ATOM 654 CD1 LEU B 43 14.982 -7.044 -3.304 1.00 0.00 C ATOM 655 CD2 LEU B 43 12.675 -7.745 -3.971 1.00 0.00 C ATOM 0 H LEU B 43 11.844 -4.102 -5.577 1.00 0.00 H new ATOM 0 HA LEU B 43 12.910 -5.221 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU B 43 13.045 -5.820 -5.872 1.00 0.00 H new ATOM 0 HB3 LEU B 43 14.661 -5.328 -5.407 1.00 0.00 H new ATOM 0 HG LEU B 43 14.397 -7.747 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU B 43 15.153 -8.044 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU B 43 15.923 -6.635 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU B 43 14.591 -6.400 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU B 43 12.875 -8.735 -3.562 1.00 0.00 H new ATOM 0 HD22 LEU B 43 12.228 -7.117 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU B 43 11.987 -7.832 -4.812 1.00 0.00 H new ATOM 667 N LYS B 44 14.588 -3.515 -2.512 1.00 0.00 N ATOM 668 CA LYS B 44 15.550 -2.494 -2.116 1.00 0.00 C ATOM 669 C LYS B 44 16.972 -2.915 -2.478 1.00 0.00 C ATOM 670 O LYS B 44 17.126 -3.751 -3.392 1.00 0.00 O ATOM 671 CB LYS B 44 15.449 -2.226 -0.614 1.00 0.00 C ATOM 672 CG LYS B 44 15.588 -0.758 -0.246 1.00 0.00 C ATOM 673 CD LYS B 44 14.798 -0.420 1.009 1.00 0.00 C ATOM 674 CE LYS B 44 14.625 1.081 1.172 1.00 0.00 C ATOM 675 NZ LYS B 44 15.906 1.814 0.968 1.00 0.00 N ATOM 676 OXT LYS B 44 17.918 -2.403 -1.843 1.00 0.00 O ATOM 0 H LYS B 44 14.304 -4.141 -1.759 1.00 0.00 H new ATOM 0 HA LYS B 44 15.315 -1.578 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS B 44 14.489 -2.593 -0.252 1.00 0.00 H new ATOM 0 HB3 LYS B 44 16.223 -2.796 -0.099 1.00 0.00 H new ATOM 0 HG2 LYS B 44 16.640 -0.519 -0.090 1.00 0.00 H new ATOM 0 HG3 LYS B 44 15.240 -0.140 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS B 44 13.819 -0.897 0.963 1.00 0.00 H new ATOM 0 HD3 LYS B 44 15.310 -0.825 1.882 1.00 0.00 H new ATOM 0 HE2 LYS B 44 13.884 1.440 0.458 1.00 0.00 H new ATOM 0 HE3 LYS B 44 14.239 1.296 2.168 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 15.950 2.625 1.618 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 16.705 1.176 1.156 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 15.959 2.154 -0.013 1.00 0.00 H new TER 690 LYS B 44 ATOM 691 N SER C 45 15.767 5.654 2.095 1.00 0.00 N ATOM 692 CA SER C 45 15.274 6.065 0.755 1.00 0.00 C ATOM 693 C SER C 45 13.907 6.734 0.849 1.00 0.00 C ATOM 694 O SER C 45 13.128 6.712 -0.104 1.00 0.00 O ATOM 695 CB SER C 45 15.190 4.824 -0.136 1.00 0.00 C ATOM 696 OG SER C 45 16.380 4.650 -0.885 1.00 0.00 O ATOM 0 HA SER C 45 15.967 6.791 0.329 1.00 0.00 H new ATOM 0 HB2 SER C 45 15.012 3.942 0.480 1.00 0.00 H new ATOM 0 HB3 SER C 45 14.341 4.916 -0.813 1.00 0.00 H new ATOM 0 HG SER C 45 16.300 3.849 -1.444 1.00 0.00 H new ATOM 704 N ASN C 46 13.620 7.330 2.002 1.00 0.00 N ATOM 705 CA ASN C 46 12.347 8.004 2.214 1.00 0.00 C ATOM 706 C ASN C 46 11.183 7.032 2.049 1.00 0.00 C ATOM 707 O ASN C 46 10.522 7.010 1.010 1.00 0.00 O ATOM 708 CB ASN C 46 12.196 9.170 1.235 1.00 0.00 C ATOM 709 CG ASN C 46 13.126 10.322 1.561 1.00 0.00 C ATOM 710 OD1 ASN C 46 13.350 10.643 2.727 1.00 0.00 O ATOM 711 ND2 ASN C 46 13.674 10.951 0.527 1.00 0.00 N ATOM 0 H ASN C 46 14.252 7.359 2.802 1.00 0.00 H new ATOM 0 HA ASN C 46 12.333 8.390 3.233 1.00 0.00 H new ATOM 0 HB2 ASN C 46 12.397 8.819 0.223 1.00 0.00 H new ATOM 0 HB3 ASN C 46 11.165 9.523 1.251 1.00 0.00 H new ATOM 0 HD21 ASN C 46 14.309 11.734 0.684 1.00 0.00 H new ATOM 0 HD22 ASN C 46 13.460 10.651 -0.424 1.00 0.00 H new ATOM 718 N PHE C 47 10.936 6.232 3.081 1.00 0.00 N ATOM 719 CA PHE C 47 9.848 5.262 3.048 1.00 0.00 C ATOM 720 C PHE C 47 8.546 5.898 3.526 1.00 0.00 C ATOM 721 O PHE C 47 8.340 6.092 4.724 1.00 0.00 O ATOM 722 CB PHE C 47 10.196 4.045 3.912 1.00 0.00 C ATOM 723 CG PHE C 47 9.062 3.070 4.080 1.00 0.00 C ATOM 724 CD1 PHE C 47 8.104 3.268 5.059 1.00 0.00 C ATOM 725 CD2 PHE C 47 8.956 1.957 3.260 1.00 0.00 C ATOM 726 CE1 PHE C 47 7.061 2.376 5.221 1.00 0.00 C ATOM 727 CE2 PHE C 47 7.913 1.061 3.417 1.00 0.00 C ATOM 728 CZ PHE C 47 6.965 1.271 4.399 1.00 0.00 C ATOM 0 H PHE C 47 11.473 6.236 3.948 1.00 0.00 H new ATOM 0 HA PHE C 47 9.711 4.932 2.018 1.00 0.00 H new ATOM 0 HB2 PHE C 47 11.045 3.526 3.466 1.00 0.00 H new ATOM 0 HB3 PHE C 47 10.514 4.390 4.896 1.00 0.00 H new ATOM 0 HD1 PHE C 47 8.172 4.131 5.705 1.00 0.00 H new ATOM 0 HD2 PHE C 47 9.695 1.788 2.491 1.00 0.00 H new ATOM 0 HE1 PHE C 47 6.321 2.543 5.990 1.00 0.00 H new ATOM 0 HE2 PHE C 47 7.840 0.198 2.772 1.00 0.00 H new ATOM 0 HZ PHE C 47 6.151 0.573 4.524 1.00 0.00 H new ATOM 738 N LEU C 48 7.675 6.225 2.578 1.00 0.00 N ATOM 739 CA LEU C 48 6.394 6.842 2.897 1.00 0.00 C ATOM 740 C LEU C 48 5.259 5.830 2.782 1.00 0.00 C ATOM 741 O LEU C 48 4.825 5.490 1.681 1.00 0.00 O ATOM 742 CB LEU C 48 6.134 8.027 1.966 1.00 0.00 C ATOM 743 CG LEU C 48 6.741 9.354 2.425 1.00 0.00 C ATOM 744 CD1 LEU C 48 6.046 9.851 3.683 1.00 0.00 C ATOM 745 CD2 LEU C 48 8.236 9.200 2.666 1.00 0.00 C ATOM 0 H LEU C 48 7.833 6.073 1.582 1.00 0.00 H new ATOM 0 HA LEU C 48 6.434 7.198 3.927 1.00 0.00 H new ATOM 0 HB2 LEU C 48 6.527 7.787 0.978 1.00 0.00 H new ATOM 0 HB3 LEU C 48 5.057 8.155 1.858 1.00 0.00 H new ATOM 0 HG LEU C 48 6.593 10.092 1.637 1.00 0.00 H new ATOM 0 HD11 LEU C 48 6.491 10.796 3.995 1.00 0.00 H new ATOM 0 HD12 LEU C 48 4.986 9.999 3.479 1.00 0.00 H new ATOM 0 HD13 LEU C 48 6.163 9.115 4.478 1.00 0.00 H new ATOM 0 HD21 LEU C 48 8.652 10.153 2.992 1.00 0.00 H new ATOM 0 HD22 LEU C 48 8.405 8.448 3.437 1.00 0.00 H new ATOM 0 HD23 LEU C 48 8.723 8.888 1.742 1.00 0.00 H new ATOM 757 N ASN C 49 4.784 5.349 3.927 1.00 0.00 N ATOM 758 CA ASN C 49 3.699 4.374 3.955 1.00 0.00 C ATOM 759 C ASN C 49 2.568 4.844 4.863 1.00 0.00 C ATOM 760 O ASN C 49 2.747 4.995 6.074 1.00 0.00 O ATOM 761 CB ASN C 49 4.217 3.017 4.430 1.00 0.00 C ATOM 762 CG ASN C 49 3.153 1.938 4.368 1.00 0.00 C ATOM 763 OD1 ASN C 49 3.128 1.128 3.442 1.00 0.00 O ATOM 764 ND2 ASN C 49 2.269 1.923 5.358 1.00 0.00 N ATOM 0 H ASN C 49 5.133 5.618 4.847 1.00 0.00 H new ATOM 0 HA ASN C 49 3.310 4.273 2.942 1.00 0.00 H new ATOM 0 HB2 ASN C 49 5.067 2.721 3.816 1.00 0.00 H new ATOM 0 HB3 ASN C 49 4.579 3.108 5.454 1.00 0.00 H new ATOM 0 HD21 ASN C 49 1.530 1.220 5.371 1.00 0.00 H new ATOM 0 HD22 ASN C 49 2.328 2.615 6.105 1.00 0.00 H new ATOM 771 N CYS C 50 1.399 5.072 4.272 1.00 0.00 N ATOM 772 CA CYS C 50 0.240 5.523 5.033 1.00 0.00 C ATOM 773 C CYS C 50 -1.056 5.242 4.281 1.00 0.00 C ATOM 774 O CYS C 50 -1.064 5.104 3.057 1.00 0.00 O ATOM 775 CB CYS C 50 0.357 7.018 5.343 1.00 0.00 C ATOM 776 SG CYS C 50 0.146 8.099 3.909 1.00 0.00 S ATOM 0 H CYS C 50 1.230 4.952 3.273 1.00 0.00 H new ATOM 0 HA CYS C 50 0.216 4.967 5.970 1.00 0.00 H new ATOM 0 HB2 CYS C 50 -0.389 7.280 6.093 1.00 0.00 H new ATOM 0 HB3 CYS C 50 1.335 7.209 5.786 1.00 0.00 H new ATOM 0 HG CYS C 50 1.050 7.819 3.018 1.00 0.00 H new ATOM 782 N TYR C 51 -2.152 5.164 5.025 1.00 0.00 N ATOM 783 CA TYR C 51 -3.459 4.904 4.439 1.00 0.00 C ATOM 784 C TYR C 51 -4.570 5.278 5.410 1.00 0.00 C ATOM 785 O TYR C 51 -4.414 5.158 6.625 1.00 0.00 O ATOM 786 CB TYR C 51 -3.590 3.434 4.038 1.00 0.00 C ATOM 787 CG TYR C 51 -3.634 2.476 5.210 1.00 0.00 C ATOM 788 CD1 TYR C 51 -2.652 2.499 6.189 1.00 0.00 C ATOM 789 CD2 TYR C 51 -4.659 1.544 5.333 1.00 0.00 C ATOM 790 CE1 TYR C 51 -2.686 1.623 7.257 1.00 0.00 C ATOM 791 CE2 TYR C 51 -4.701 0.663 6.399 1.00 0.00 C ATOM 792 CZ TYR C 51 -3.712 0.708 7.358 1.00 0.00 C ATOM 793 OH TYR C 51 -3.748 -0.166 8.421 1.00 0.00 O ATOM 0 H TYR C 51 -2.161 5.278 6.039 1.00 0.00 H new ATOM 0 HA TYR C 51 -3.554 5.521 3.545 1.00 0.00 H new ATOM 0 HB2 TYR C 51 -4.497 3.309 3.446 1.00 0.00 H new ATOM 0 HB3 TYR C 51 -2.751 3.167 3.396 1.00 0.00 H new ATOM 0 HD1 TYR C 51 -1.846 3.214 6.115 1.00 0.00 H new ATOM 0 HD2 TYR C 51 -5.436 1.507 4.583 1.00 0.00 H new ATOM 0 HE1 TYR C 51 -1.912 1.655 8.009 1.00 0.00 H new ATOM 0 HE2 TYR C 51 -5.504 -0.055 6.479 1.00 0.00 H new ATOM 0 HH TYR C 51 -4.182 -1.000 8.144 1.00 0.00 H new ATOM 803 N VAL C 52 -5.689 5.734 4.865 1.00 0.00 N ATOM 804 CA VAL C 52 -6.825 6.128 5.684 1.00 0.00 C ATOM 805 C VAL C 52 -8.128 5.569 5.124 1.00 0.00 C ATOM 806 O VAL C 52 -8.556 5.943 4.031 1.00 0.00 O ATOM 807 CB VAL C 52 -6.929 7.664 5.784 1.00 0.00 C ATOM 808 CG1 VAL C 52 -5.667 8.249 6.404 1.00 0.00 C ATOM 809 CG2 VAL C 52 -7.187 8.274 4.414 1.00 0.00 C ATOM 0 H VAL C 52 -5.834 5.840 3.861 1.00 0.00 H new ATOM 0 HA VAL C 52 -6.662 5.716 6.680 1.00 0.00 H new ATOM 0 HB VAL C 52 -7.771 7.908 6.431 1.00 0.00 H new ATOM 0 HG11 VAL C 52 -5.761 9.333 6.465 1.00 0.00 H new ATOM 0 HG12 VAL C 52 -5.530 7.839 7.405 1.00 0.00 H new ATOM 0 HG13 VAL C 52 -4.806 7.994 5.786 1.00 0.00 H new ATOM 0 HG21 VAL C 52 -7.257 9.358 4.506 1.00 0.00 H new ATOM 0 HG22 VAL C 52 -6.368 8.019 3.742 1.00 0.00 H new ATOM 0 HG23 VAL C 52 -8.121 7.883 4.012 1.00 0.00 H new ATOM 819 N SER C 53 -8.755 4.671 5.883 1.00 0.00 N ATOM 820 CA SER C 53 -10.015 4.052 5.470 1.00 0.00 C ATOM 821 C SER C 53 -10.339 2.843 6.349 1.00 0.00 C ATOM 822 O SER C 53 -11.051 2.964 7.345 1.00 0.00 O ATOM 823 CB SER C 53 -9.959 3.631 3.997 1.00 0.00 C ATOM 824 OG SER C 53 -10.957 2.670 3.702 1.00 0.00 O ATOM 0 H SER C 53 -8.410 4.355 6.789 1.00 0.00 H new ATOM 0 HA SER C 53 -10.806 4.792 5.590 1.00 0.00 H new ATOM 0 HB2 SER C 53 -10.093 4.506 3.360 1.00 0.00 H new ATOM 0 HB3 SER C 53 -8.975 3.219 3.771 1.00 0.00 H new ATOM 0 HG SER C 53 -10.549 1.780 3.651 1.00 0.00 H new ATOM 830 N GLY C 54 -9.809 1.679 5.978 1.00 0.00 N ATOM 831 CA GLY C 54 -10.051 0.473 6.748 1.00 0.00 C ATOM 832 C GLY C 54 -10.965 -0.508 6.037 1.00 0.00 C ATOM 833 O GLY C 54 -10.597 -1.663 5.835 1.00 0.00 O ATOM 0 H GLY C 54 -9.217 1.551 5.158 1.00 0.00 H new ATOM 0 HA2 GLY C 54 -9.099 -0.014 6.960 1.00 0.00 H new ATOM 0 HA3 GLY C 54 -10.492 0.743 7.708 1.00 0.00 H new ATOM 837 N PHE C 55 -12.160 -0.043 5.666 1.00 0.00 N ATOM 838 CA PHE C 55 -13.155 -0.874 4.977 1.00 0.00 C ATOM 839 C PHE C 55 -13.260 -2.272 5.593 1.00 0.00 C ATOM 840 O PHE C 55 -12.609 -2.577 6.591 1.00 0.00 O ATOM 841 CB PHE C 55 -12.845 -0.979 3.476 1.00 0.00 C ATOM 842 CG PHE C 55 -11.386 -1.142 3.146 1.00 0.00 C ATOM 843 CD1 PHE C 55 -10.743 -2.353 3.349 1.00 0.00 C ATOM 844 CD2 PHE C 55 -10.662 -0.083 2.621 1.00 0.00 C ATOM 845 CE1 PHE C 55 -9.404 -2.504 3.037 1.00 0.00 C ATOM 846 CE2 PHE C 55 -9.322 -0.229 2.306 1.00 0.00 C ATOM 847 CZ PHE C 55 -8.694 -1.440 2.515 1.00 0.00 C ATOM 0 H PHE C 55 -12.466 0.916 5.833 1.00 0.00 H new ATOM 0 HA PHE C 55 -14.119 -0.381 5.102 1.00 0.00 H new ATOM 0 HB2 PHE C 55 -13.394 -1.826 3.064 1.00 0.00 H new ATOM 0 HB3 PHE C 55 -13.219 -0.084 2.978 1.00 0.00 H new ATOM 0 HD1 PHE C 55 -11.294 -3.188 3.755 1.00 0.00 H new ATOM 0 HD2 PHE C 55 -11.149 0.867 2.456 1.00 0.00 H new ATOM 0 HE1 PHE C 55 -8.914 -3.452 3.201 1.00 0.00 H new ATOM 0 HE2 PHE C 55 -8.769 0.604 1.897 1.00 0.00 H new ATOM 0 HZ PHE C 55 -7.648 -1.556 2.271 1.00 0.00 H new ATOM 857 N HIS C 56 -14.094 -3.118 4.993 1.00 0.00 N ATOM 858 CA HIS C 56 -14.287 -4.479 5.484 1.00 0.00 C ATOM 859 C HIS C 56 -13.463 -5.474 4.664 1.00 0.00 C ATOM 860 O HIS C 56 -12.579 -6.143 5.198 1.00 0.00 O ATOM 861 CB HIS C 56 -15.770 -4.859 5.445 1.00 0.00 C ATOM 862 CG HIS C 56 -16.365 -5.110 6.797 1.00 0.00 C ATOM 863 ND1 HIS C 56 -17.554 -4.550 7.213 1.00 0.00 N ATOM 864 CD2 HIS C 56 -15.930 -5.872 7.827 1.00 0.00 C ATOM 865 CE1 HIS C 56 -17.823 -4.956 8.442 1.00 0.00 C ATOM 866 NE2 HIS C 56 -16.854 -5.760 8.836 1.00 0.00 N ATOM 0 H HIS C 56 -14.646 -2.885 4.167 1.00 0.00 H new ATOM 0 HA HIS C 56 -13.944 -4.518 6.518 1.00 0.00 H new ATOM 0 HB2 HIS C 56 -16.327 -4.060 4.955 1.00 0.00 H new ATOM 0 HB3 HIS C 56 -15.891 -5.753 4.833 1.00 0.00 H new ATOM 0 HD2 HIS C 56 -15.024 -6.459 7.851 1.00 0.00 H new ATOM 0 HE1 HIS C 56 -18.689 -4.677 9.024 1.00 0.00 H new ATOM 0 HE2 HIS C 56 -16.800 -6.223 9.743 1.00 0.00 H new ATOM 875 N PRO C 57 -13.739 -5.586 3.351 1.00 0.00 N ATOM 876 CA PRO C 57 -13.021 -6.500 2.467 1.00 0.00 C ATOM 877 C PRO C 57 -11.770 -5.854 1.867 1.00 0.00 C ATOM 878 O PRO C 57 -11.177 -4.963 2.473 1.00 0.00 O ATOM 879 CB PRO C 57 -14.068 -6.779 1.391 1.00 0.00 C ATOM 880 CG PRO C 57 -14.801 -5.489 1.253 1.00 0.00 C ATOM 881 CD PRO C 57 -14.776 -4.832 2.614 1.00 0.00 C ATOM 0 HA PRO C 57 -12.650 -7.391 2.973 1.00 0.00 H new ATOM 0 HB2 PRO C 57 -13.604 -7.076 0.451 1.00 0.00 H new ATOM 0 HB3 PRO C 57 -14.737 -7.588 1.686 1.00 0.00 H new ATOM 0 HG2 PRO C 57 -14.327 -4.852 0.506 1.00 0.00 H new ATOM 0 HG3 PRO C 57 -15.826 -5.659 0.923 1.00 0.00 H new ATOM 0 HD2 PRO C 57 -14.526 -3.773 2.543 1.00 0.00 H new ATOM 0 HD3 PRO C 57 -15.745 -4.898 3.108 1.00 0.00 H new ATOM 889 N SER C 58 -11.377 -6.309 0.674 1.00 0.00 N ATOM 890 CA SER C 58 -10.201 -5.780 -0.022 1.00 0.00 C ATOM 891 C SER C 58 -8.928 -6.497 0.414 1.00 0.00 C ATOM 892 O SER C 58 -8.602 -6.554 1.603 1.00 0.00 O ATOM 893 CB SER C 58 -10.050 -4.269 0.206 1.00 0.00 C ATOM 894 OG SER C 58 -11.314 -3.638 0.307 1.00 0.00 O ATOM 0 H SER C 58 -11.861 -7.049 0.166 1.00 0.00 H new ATOM 0 HA SER C 58 -10.354 -5.959 -1.086 1.00 0.00 H new ATOM 0 HB2 SER C 58 -9.478 -4.091 1.117 1.00 0.00 H new ATOM 0 HB3 SER C 58 -9.485 -3.829 -0.616 1.00 0.00 H new ATOM 0 HG SER C 58 -11.576 -3.580 1.249 1.00 0.00 H new ATOM 900 N ASP C 59 -8.207 -7.033 -0.566 1.00 0.00 N ATOM 901 CA ASP C 59 -6.959 -7.738 -0.309 1.00 0.00 C ATOM 902 C ASP C 59 -5.785 -6.955 -0.881 1.00 0.00 C ATOM 903 O ASP C 59 -5.471 -7.063 -2.067 1.00 0.00 O ATOM 904 CB ASP C 59 -6.999 -9.143 -0.914 1.00 0.00 C ATOM 905 CG ASP C 59 -5.740 -9.936 -0.619 1.00 0.00 C ATOM 906 OD1 ASP C 59 -4.643 -9.468 -0.991 1.00 0.00 O ATOM 907 OD2 ASP C 59 -5.852 -11.024 -0.015 1.00 0.00 O ATOM 0 H ASP C 59 -8.469 -6.991 -1.551 1.00 0.00 H new ATOM 0 HA ASP C 59 -6.831 -7.829 0.770 1.00 0.00 H new ATOM 0 HB2 ASP C 59 -7.863 -9.680 -0.522 1.00 0.00 H new ATOM 0 HB3 ASP C 59 -7.133 -9.067 -1.993 1.00 0.00 H new ATOM 912 N ILE C 60 -5.148 -6.157 -0.035 1.00 0.00 N ATOM 913 CA ILE C 60 -4.019 -5.342 -0.457 1.00 0.00 C ATOM 914 C ILE C 60 -2.867 -5.438 0.538 1.00 0.00 C ATOM 915 O ILE C 60 -3.079 -5.474 1.750 1.00 0.00 O ATOM 916 CB ILE C 60 -4.425 -3.862 -0.617 1.00 0.00 C ATOM 917 CG1 ILE C 60 -5.142 -3.361 0.643 1.00 0.00 C ATOM 918 CG2 ILE C 60 -5.302 -3.677 -1.850 1.00 0.00 C ATOM 919 CD1 ILE C 60 -6.552 -3.895 0.811 1.00 0.00 C ATOM 0 H ILE C 60 -5.395 -6.057 0.950 1.00 0.00 H new ATOM 0 HA ILE C 60 -3.692 -5.729 -1.422 1.00 0.00 H new ATOM 0 HB ILE C 60 -3.520 -3.269 -0.752 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.554 -3.640 1.517 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -5.179 -2.272 0.618 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.578 -2.627 -1.946 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -4.752 -3.990 -2.738 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -6.203 -4.281 -1.749 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.987 -3.492 1.726 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -7.159 -3.594 -0.043 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.524 -4.983 0.871 1.00 0.00 H new ATOM 931 N GLU C 61 -1.645 -5.482 0.020 1.00 0.00 N ATOM 932 CA GLU C 61 -0.465 -5.576 0.870 1.00 0.00 C ATOM 933 C GLU C 61 0.773 -5.045 0.155 1.00 0.00 C ATOM 934 O GLU C 61 1.034 -5.384 -0.999 1.00 0.00 O ATOM 935 CB GLU C 61 -0.238 -7.026 1.302 1.00 0.00 C ATOM 936 CG GLU C 61 0.019 -7.974 0.142 1.00 0.00 C ATOM 937 CD GLU C 61 0.523 -9.330 0.598 1.00 0.00 C ATOM 938 OE1 GLU C 61 1.403 -9.368 1.482 1.00 0.00 O ATOM 939 OE2 GLU C 61 0.039 -10.352 0.069 1.00 0.00 O ATOM 0 H GLU C 61 -1.446 -5.454 -0.980 1.00 0.00 H new ATOM 0 HA GLU C 61 -0.638 -4.962 1.754 1.00 0.00 H new ATOM 0 HB2 GLU C 61 0.610 -7.064 1.986 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -1.110 -7.372 1.856 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -0.902 -8.105 -0.426 1.00 0.00 H new ATOM 0 HG3 GLU C 61 0.749 -7.527 -0.533 1.00 0.00 H new ATOM 946 N VAL C 62 1.539 -4.216 0.856 1.00 0.00 N ATOM 947 CA VAL C 62 2.757 -3.644 0.298 1.00 0.00 C ATOM 948 C VAL C 62 3.987 -4.248 0.962 1.00 0.00 C ATOM 949 O VAL C 62 4.153 -4.161 2.178 1.00 0.00 O ATOM 950 CB VAL C 62 2.795 -2.113 0.465 1.00 0.00 C ATOM 951 CG1 VAL C 62 4.042 -1.532 -0.188 1.00 0.00 C ATOM 952 CG2 VAL C 62 1.537 -1.482 -0.113 1.00 0.00 C ATOM 0 H VAL C 62 1.337 -3.925 1.813 1.00 0.00 H new ATOM 0 HA VAL C 62 2.761 -3.879 -0.766 1.00 0.00 H new ATOM 0 HB VAL C 62 2.833 -1.884 1.530 1.00 0.00 H new ATOM 0 HG11 VAL C 62 4.050 -0.450 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL C 62 4.930 -1.959 0.278 1.00 0.00 H new ATOM 0 HG13 VAL C 62 4.040 -1.770 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL C 62 1.581 -0.400 0.014 1.00 0.00 H new ATOM 0 HG22 VAL C 62 1.465 -1.720 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL C 62 0.662 -1.873 0.407 1.00 0.00 H new ATOM 962 N ASP C 63 4.844 -4.867 0.159 1.00 0.00 N ATOM 963 CA ASP C 63 6.055 -5.491 0.676 1.00 0.00 C ATOM 964 C ASP C 63 7.296 -4.964 -0.036 1.00 0.00 C ATOM 965 O ASP C 63 7.368 -4.965 -1.265 1.00 0.00 O ATOM 966 CB ASP C 63 5.975 -7.011 0.521 1.00 0.00 C ATOM 967 CG ASP C 63 5.789 -7.437 -0.922 1.00 0.00 C ATOM 968 OD1 ASP C 63 4.628 -7.497 -1.378 1.00 0.00 O ATOM 969 OD2 ASP C 63 6.804 -7.711 -1.596 1.00 0.00 O ATOM 0 H ASP C 63 4.723 -4.950 -0.850 1.00 0.00 H new ATOM 0 HA ASP C 63 6.135 -5.239 1.734 1.00 0.00 H new ATOM 0 HB2 ASP C 63 6.886 -7.462 0.915 1.00 0.00 H new ATOM 0 HB3 ASP C 63 5.146 -7.391 1.119 1.00 0.00 H new ATOM 974 N LEU C 64 8.274 -4.522 0.747 1.00 0.00 N ATOM 975 CA LEU C 64 9.517 -3.998 0.197 1.00 0.00 C ATOM 976 C LEU C 64 10.715 -4.744 0.775 1.00 0.00 C ATOM 977 O LEU C 64 11.036 -4.605 1.956 1.00 0.00 O ATOM 978 CB LEU C 64 9.639 -2.500 0.482 1.00 0.00 C ATOM 979 CG LEU C 64 8.330 -1.709 0.376 1.00 0.00 C ATOM 980 CD1 LEU C 64 8.606 -0.214 0.399 1.00 0.00 C ATOM 981 CD2 LEU C 64 7.571 -2.094 -0.887 1.00 0.00 C ATOM 0 H LEU C 64 8.229 -4.517 1.766 1.00 0.00 H new ATOM 0 HA LEU C 64 9.503 -4.147 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU C 64 10.044 -2.369 1.485 1.00 0.00 H new ATOM 0 HB3 LEU C 64 10.362 -2.071 -0.213 1.00 0.00 H new ATOM 0 HG LEU C 64 7.709 -1.957 1.237 1.00 0.00 H new ATOM 0 HD11 LEU C 64 7.665 0.331 0.323 1.00 0.00 H new ATOM 0 HD12 LEU C 64 9.104 0.050 1.332 1.00 0.00 H new ATOM 0 HD13 LEU C 64 9.248 0.051 -0.442 1.00 0.00 H new ATOM 0 HD21 LEU C 64 6.645 -1.522 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU C 64 8.185 -1.878 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU C 64 7.339 -3.159 -0.862 1.00 0.00 H new ATOM 993 N LEU C 65 11.368 -5.540 -0.066 1.00 0.00 N ATOM 994 CA LEU C 65 12.528 -6.316 0.357 1.00 0.00 C ATOM 995 C LEU C 65 12.141 -7.325 1.435 1.00 0.00 C ATOM 996 O LEU C 65 11.553 -6.965 2.454 1.00 0.00 O ATOM 997 CB LEU C 65 13.630 -5.391 0.876 1.00 0.00 C ATOM 998 CG LEU C 65 15.055 -5.813 0.512 1.00 0.00 C ATOM 999 CD1 LEU C 65 16.070 -4.903 1.185 1.00 0.00 C ATOM 1000 CD2 LEU C 65 15.297 -7.264 0.902 1.00 0.00 C ATOM 0 H LEU C 65 11.113 -5.664 -1.046 1.00 0.00 H new ATOM 0 HA LEU C 65 12.904 -6.861 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU C 65 13.454 -4.388 0.487 1.00 0.00 H new ATOM 0 HB3 LEU C 65 13.551 -5.331 1.961 1.00 0.00 H new ATOM 0 HG LEU C 65 15.176 -5.722 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU C 65 17.078 -5.219 0.914 1.00 0.00 H new ATOM 0 HD12 LEU C 65 15.911 -3.876 0.857 1.00 0.00 H new ATOM 0 HD13 LEU C 65 15.950 -4.961 2.267 1.00 0.00 H new ATOM 0 HD21 LEU C 65 16.315 -7.547 0.636 1.00 0.00 H new ATOM 0 HD22 LEU C 65 15.157 -7.380 1.977 1.00 0.00 H new ATOM 0 HD23 LEU C 65 14.592 -7.905 0.373 1.00 0.00 H new ATOM 1012 N LYS C 66 12.475 -8.590 1.200 1.00 0.00 N ATOM 1013 CA LYS C 66 12.161 -9.653 2.150 1.00 0.00 C ATOM 1014 C LYS C 66 10.653 -9.820 2.300 1.00 0.00 C ATOM 1015 O LYS C 66 10.221 -10.429 3.302 1.00 0.00 O ATOM 1016 CB LYS C 66 12.790 -9.354 3.513 1.00 0.00 C ATOM 1017 CG LYS C 66 13.151 -10.602 4.300 1.00 0.00 C ATOM 1018 CD LYS C 66 14.062 -10.277 5.473 1.00 0.00 C ATOM 1019 CE LYS C 66 13.265 -9.898 6.710 1.00 0.00 C ATOM 1020 NZ LYS C 66 14.150 -9.512 7.844 1.00 0.00 N ATOM 1021 OXT LYS C 66 9.914 -9.340 1.414 1.00 0.00 O ATOM 0 H LYS C 66 12.963 -8.904 0.361 1.00 0.00 H new ATOM 0 HA LYS C 66 12.576 -10.584 1.763 1.00 0.00 H new ATOM 0 HB2 LYS C 66 13.688 -8.754 3.366 1.00 0.00 H new ATOM 0 HB3 LYS C 66 12.097 -8.752 4.100 1.00 0.00 H new ATOM 0 HG2 LYS C 66 12.241 -11.079 4.666 1.00 0.00 H new ATOM 0 HG3 LYS C 66 13.644 -11.318 3.643 1.00 0.00 H new ATOM 0 HD2 LYS C 66 14.692 -11.138 5.695 1.00 0.00 H new ATOM 0 HD3 LYS C 66 14.727 -9.457 5.202 1.00 0.00 H new ATOM 0 HE2 LYS C 66 12.598 -9.070 6.472 1.00 0.00 H new ATOM 0 HE3 LYS C 66 12.637 -10.738 7.009 1.00 0.00 H new ATOM 0 HZ1 LYS C 66 13.656 -8.829 8.453 1.00 0.00 H new ATOM 0 HZ2 LYS C 66 14.392 -10.358 8.399 1.00 0.00 H new ATOM 0 HZ3 LYS C 66 15.020 -9.080 7.474 1.00 0.00 H new TER 1035 LYS C 66 ATOM 1036 N SER D 67 13.119 10.319 11.232 1.00 0.00 N ATOM 1037 CA SER D 67 13.945 9.081 11.262 1.00 0.00 C ATOM 1038 C SER D 67 14.322 8.633 9.852 1.00 0.00 C ATOM 1039 O SER D 67 15.468 8.789 9.428 1.00 0.00 O ATOM 1040 CB SER D 67 13.152 7.984 11.974 1.00 0.00 C ATOM 1041 OG SER D 67 12.900 8.333 13.325 1.00 0.00 O ATOM 0 HA SER D 67 14.872 9.282 11.799 1.00 0.00 H new ATOM 0 HB2 SER D 67 12.208 7.818 11.455 1.00 0.00 H new ATOM 0 HB3 SER D 67 13.706 7.046 11.934 1.00 0.00 H new ATOM 0 HG SER D 67 12.854 9.308 13.408 1.00 0.00 H new ATOM 1049 N ASN D 68 13.354 8.077 9.128 1.00 0.00 N ATOM 1050 CA ASN D 68 13.595 7.610 7.765 1.00 0.00 C ATOM 1051 C ASN D 68 12.316 7.064 7.131 1.00 0.00 C ATOM 1052 O ASN D 68 12.093 7.222 5.929 1.00 0.00 O ATOM 1053 CB ASN D 68 14.681 6.532 7.759 1.00 0.00 C ATOM 1054 CG ASN D 68 16.026 7.075 7.318 1.00 0.00 C ATOM 1055 OD1 ASN D 68 17.025 6.940 8.026 1.00 0.00 O ATOM 1056 ND2 ASN D 68 16.059 7.694 6.144 1.00 0.00 N ATOM 0 H ASN D 68 12.399 7.939 9.460 1.00 0.00 H new ATOM 0 HA ASN D 68 13.931 8.462 7.174 1.00 0.00 H new ATOM 0 HB2 ASN D 68 14.773 6.106 8.758 1.00 0.00 H new ATOM 0 HB3 ASN D 68 14.382 5.722 7.094 1.00 0.00 H new ATOM 0 HD21 ASN D 68 16.936 8.081 5.796 1.00 0.00 H new ATOM 0 HD22 ASN D 68 15.207 7.783 5.590 1.00 0.00 H new ATOM 1063 N PHE D 69 11.482 6.418 7.940 1.00 0.00 N ATOM 1064 CA PHE D 69 10.232 5.851 7.449 1.00 0.00 C ATOM 1065 C PHE D 69 9.036 6.460 8.180 1.00 0.00 C ATOM 1066 O PHE D 69 9.199 7.180 9.165 1.00 0.00 O ATOM 1067 CB PHE D 69 10.249 4.322 7.606 1.00 0.00 C ATOM 1068 CG PHE D 69 9.401 3.803 8.737 1.00 0.00 C ATOM 1069 CD1 PHE D 69 9.719 4.098 10.051 1.00 0.00 C ATOM 1070 CD2 PHE D 69 8.288 3.022 8.479 1.00 0.00 C ATOM 1071 CE1 PHE D 69 8.939 3.622 11.089 1.00 0.00 C ATOM 1072 CE2 PHE D 69 7.504 2.545 9.511 1.00 0.00 C ATOM 1073 CZ PHE D 69 7.830 2.845 10.818 1.00 0.00 C ATOM 0 H PHE D 69 11.649 6.275 8.936 1.00 0.00 H new ATOM 0 HA PHE D 69 10.133 6.090 6.390 1.00 0.00 H new ATOM 0 HB2 PHE D 69 9.908 3.870 6.675 1.00 0.00 H new ATOM 0 HB3 PHE D 69 11.278 3.996 7.760 1.00 0.00 H new ATOM 0 HD1 PHE D 69 10.585 4.706 10.268 1.00 0.00 H new ATOM 0 HD2 PHE D 69 8.029 2.783 7.458 1.00 0.00 H new ATOM 0 HE1 PHE D 69 9.197 3.858 12.111 1.00 0.00 H new ATOM 0 HE2 PHE D 69 6.637 1.938 9.296 1.00 0.00 H new ATOM 0 HZ PHE D 69 7.219 2.473 11.627 1.00 0.00 H new ATOM 1083 N LEU D 70 7.835 6.166 7.690 1.00 0.00 N ATOM 1084 CA LEU D 70 6.616 6.685 8.297 1.00 0.00 C ATOM 1085 C LEU D 70 5.439 5.747 8.054 1.00 0.00 C ATOM 1086 O LEU D 70 4.941 5.641 6.933 1.00 0.00 O ATOM 1087 CB LEU D 70 6.296 8.073 7.739 1.00 0.00 C ATOM 1088 CG LEU D 70 5.005 8.702 8.264 1.00 0.00 C ATOM 1089 CD1 LEU D 70 5.194 9.198 9.690 1.00 0.00 C ATOM 1090 CD2 LEU D 70 4.557 9.837 7.357 1.00 0.00 C ATOM 0 H LEU D 70 7.681 5.572 6.875 1.00 0.00 H new ATOM 0 HA LEU D 70 6.781 6.758 9.372 1.00 0.00 H new ATOM 0 HB2 LEU D 70 7.127 8.740 7.969 1.00 0.00 H new ATOM 0 HB3 LEU D 70 6.233 8.005 6.653 1.00 0.00 H new ATOM 0 HG LEU D 70 4.227 7.939 8.267 1.00 0.00 H new ATOM 0 HD11 LEU D 70 4.265 9.642 10.047 1.00 0.00 H new ATOM 0 HD12 LEU D 70 5.466 8.361 10.333 1.00 0.00 H new ATOM 0 HD13 LEU D 70 5.986 9.946 9.713 1.00 0.00 H new ATOM 0 HD21 LEU D 70 3.637 10.272 7.747 1.00 0.00 H new ATOM 0 HD22 LEU D 70 5.333 10.601 7.320 1.00 0.00 H new ATOM 0 HD23 LEU D 70 4.379 9.452 6.353 1.00 0.00 H new ATOM 1102 N ASN D 71 4.992 5.076 9.112 1.00 0.00 N ATOM 1103 CA ASN D 71 3.863 4.155 9.013 1.00 0.00 C ATOM 1104 C ASN D 71 2.596 4.803 9.563 1.00 0.00 C ATOM 1105 O ASN D 71 2.048 4.363 10.573 1.00 0.00 O ATOM 1106 CB ASN D 71 4.153 2.855 9.766 1.00 0.00 C ATOM 1107 CG ASN D 71 4.758 3.096 11.136 1.00 0.00 C ATOM 1108 OD1 ASN D 71 5.032 4.234 11.518 1.00 0.00 O ATOM 1109 ND2 ASN D 71 4.967 2.020 11.887 1.00 0.00 N ATOM 0 H ASN D 71 5.393 5.152 10.047 1.00 0.00 H new ATOM 0 HA ASN D 71 3.712 3.920 7.960 1.00 0.00 H new ATOM 0 HB2 ASN D 71 3.228 2.289 9.876 1.00 0.00 H new ATOM 0 HB3 ASN D 71 4.833 2.242 9.175 1.00 0.00 H new ATOM 0 HD21 ASN D 71 5.369 2.119 12.819 1.00 0.00 H new ATOM 0 HD22 ASN D 71 4.725 1.095 11.531 1.00 0.00 H new ATOM 1116 N CYS D 72 2.137 5.855 8.890 1.00 0.00 N ATOM 1117 CA CYS D 72 0.936 6.563 9.317 1.00 0.00 C ATOM 1118 C CYS D 72 -0.311 5.759 8.979 1.00 0.00 C ATOM 1119 O CYS D 72 -0.757 5.732 7.830 1.00 0.00 O ATOM 1120 CB CYS D 72 0.868 7.945 8.664 1.00 0.00 C ATOM 1121 SG CYS D 72 -0.562 8.929 9.172 1.00 0.00 S ATOM 0 H CYS D 72 2.577 6.234 8.051 1.00 0.00 H new ATOM 0 HA CYS D 72 0.982 6.690 10.399 1.00 0.00 H new ATOM 0 HB2 CYS D 72 1.778 8.494 8.905 1.00 0.00 H new ATOM 0 HB3 CYS D 72 0.846 7.823 7.581 1.00 0.00 H new ATOM 0 HG CYS D 72 -0.532 10.081 8.570 1.00 0.00 H new ATOM 1127 N TYR D 73 -0.866 5.097 9.987 1.00 0.00 N ATOM 1128 CA TYR D 73 -2.059 4.280 9.805 1.00 0.00 C ATOM 1129 C TYR D 73 -3.283 4.950 10.422 1.00 0.00 C ATOM 1130 O TYR D 73 -3.262 5.357 11.583 1.00 0.00 O ATOM 1131 CB TYR D 73 -1.853 2.893 10.423 1.00 0.00 C ATOM 1132 CG TYR D 73 -0.954 2.888 11.642 1.00 0.00 C ATOM 1133 CD1 TYR D 73 -1.396 3.399 12.855 1.00 0.00 C ATOM 1134 CD2 TYR D 73 0.333 2.371 11.576 1.00 0.00 C ATOM 1135 CE1 TYR D 73 -0.579 3.397 13.969 1.00 0.00 C ATOM 1136 CE2 TYR D 73 1.156 2.365 12.686 1.00 0.00 C ATOM 1137 CZ TYR D 73 0.695 2.878 13.880 1.00 0.00 C ATOM 1138 OH TYR D 73 1.512 2.873 14.987 1.00 0.00 O ATOM 0 H TYR D 73 -0.507 5.110 10.942 1.00 0.00 H new ATOM 0 HA TYR D 73 -2.232 4.171 8.734 1.00 0.00 H new ATOM 0 HB2 TYR D 73 -2.824 2.482 10.699 1.00 0.00 H new ATOM 0 HB3 TYR D 73 -1.429 2.230 9.669 1.00 0.00 H new ATOM 0 HD1 TYR D 73 -2.394 3.804 12.929 1.00 0.00 H new ATOM 0 HD2 TYR D 73 0.696 1.967 10.643 1.00 0.00 H new ATOM 0 HE1 TYR D 73 -0.937 3.800 14.905 1.00 0.00 H new ATOM 0 HE2 TYR D 73 2.155 1.961 12.619 1.00 0.00 H new ATOM 0 HH TYR D 73 2.375 2.472 14.755 1.00 0.00 H new ATOM 1148 N VAL D 74 -4.350 5.060 9.635 1.00 0.00 N ATOM 1149 CA VAL D 74 -5.585 5.679 10.102 1.00 0.00 C ATOM 1150 C VAL D 74 -6.800 4.829 9.735 1.00 0.00 C ATOM 1151 O VAL D 74 -7.565 5.172 8.829 1.00 0.00 O ATOM 1152 CB VAL D 74 -5.766 7.093 9.518 1.00 0.00 C ATOM 1153 CG1 VAL D 74 -6.884 7.829 10.240 1.00 0.00 C ATOM 1154 CG2 VAL D 74 -4.464 7.877 9.596 1.00 0.00 C ATOM 0 H VAL D 74 -4.383 4.728 8.671 1.00 0.00 H new ATOM 0 HA VAL D 74 -5.509 5.752 11.187 1.00 0.00 H new ATOM 0 HB VAL D 74 -6.042 6.999 8.468 1.00 0.00 H new ATOM 0 HG11 VAL D 74 -6.998 8.826 9.814 1.00 0.00 H new ATOM 0 HG12 VAL D 74 -7.817 7.277 10.125 1.00 0.00 H new ATOM 0 HG13 VAL D 74 -6.640 7.912 11.299 1.00 0.00 H new ATOM 0 HG21 VAL D 74 -4.613 8.873 9.178 1.00 0.00 H new ATOM 0 HG22 VAL D 74 -4.153 7.963 10.637 1.00 0.00 H new ATOM 0 HG23 VAL D 74 -3.692 7.358 9.028 1.00 0.00 H new ATOM 1164 N SER D 75 -6.966 3.720 10.448 1.00 0.00 N ATOM 1165 CA SER D 75 -8.083 2.808 10.216 1.00 0.00 C ATOM 1166 C SER D 75 -7.944 1.564 11.085 1.00 0.00 C ATOM 1167 O SER D 75 -6.853 1.006 11.211 1.00 0.00 O ATOM 1168 CB SER D 75 -8.154 2.400 8.739 1.00 0.00 C ATOM 1169 OG SER D 75 -7.464 1.183 8.507 1.00 0.00 O ATOM 0 H SER D 75 -6.337 3.429 11.196 1.00 0.00 H new ATOM 0 HA SER D 75 -9.003 3.328 10.482 1.00 0.00 H new ATOM 0 HB2 SER D 75 -9.196 2.292 8.439 1.00 0.00 H new ATOM 0 HB3 SER D 75 -7.724 3.188 8.121 1.00 0.00 H new ATOM 0 HG SER D 75 -6.735 1.336 7.870 1.00 0.00 H new ATOM 1175 N GLY D 76 -9.052 1.122 11.671 1.00 0.00 N ATOM 1176 CA GLY D 76 -9.016 -0.067 12.505 1.00 0.00 C ATOM 1177 C GLY D 76 -8.336 -1.223 11.802 1.00 0.00 C ATOM 1178 O GLY D 76 -7.127 -1.409 11.935 1.00 0.00 O ATOM 0 H GLY D 76 -9.968 1.562 11.585 1.00 0.00 H new ATOM 0 HA2 GLY D 76 -8.489 0.155 13.433 1.00 0.00 H new ATOM 0 HA3 GLY D 76 -10.032 -0.353 12.776 1.00 0.00 H new ATOM 1182 N PHE D 77 -9.115 -1.982 11.031 1.00 0.00 N ATOM 1183 CA PHE D 77 -8.598 -3.118 10.269 1.00 0.00 C ATOM 1184 C PHE D 77 -9.735 -4.035 9.835 1.00 0.00 C ATOM 1185 O PHE D 77 -9.950 -4.245 8.642 1.00 0.00 O ATOM 1186 CB PHE D 77 -7.555 -3.909 11.073 1.00 0.00 C ATOM 1187 CG PHE D 77 -6.135 -3.555 10.719 1.00 0.00 C ATOM 1188 CD1 PHE D 77 -5.769 -3.336 9.400 1.00 0.00 C ATOM 1189 CD2 PHE D 77 -5.171 -3.429 11.703 1.00 0.00 C ATOM 1190 CE1 PHE D 77 -4.469 -2.995 9.072 1.00 0.00 C ATOM 1191 CE2 PHE D 77 -3.870 -3.092 11.378 1.00 0.00 C ATOM 1192 CZ PHE D 77 -3.520 -2.875 10.063 1.00 0.00 C ATOM 0 H PHE D 77 -10.117 -1.828 10.918 1.00 0.00 H new ATOM 0 HA PHE D 77 -8.106 -2.721 9.381 1.00 0.00 H new ATOM 0 HB2 PHE D 77 -7.713 -3.728 12.136 1.00 0.00 H new ATOM 0 HB3 PHE D 77 -7.709 -4.975 10.905 1.00 0.00 H new ATOM 0 HD1 PHE D 77 -6.508 -3.433 8.619 1.00 0.00 H new ATOM 0 HD2 PHE D 77 -5.437 -3.596 12.736 1.00 0.00 H new ATOM 0 HE1 PHE D 77 -4.199 -2.823 8.041 1.00 0.00 H new ATOM 0 HE2 PHE D 77 -3.127 -2.999 12.156 1.00 0.00 H new ATOM 0 HZ PHE D 77 -2.504 -2.611 9.810 1.00 0.00 H new ATOM 1202 N HIS D 78 -10.465 -4.576 10.805 1.00 0.00 N ATOM 1203 CA HIS D 78 -11.583 -5.466 10.506 1.00 0.00 C ATOM 1204 C HIS D 78 -11.107 -6.672 9.699 1.00 0.00 C ATOM 1205 O HIS D 78 -10.003 -6.662 9.156 1.00 0.00 O ATOM 1206 CB HIS D 78 -12.660 -4.706 9.728 1.00 0.00 C ATOM 1207 CG HIS D 78 -13.550 -3.872 10.597 1.00 0.00 C ATOM 1208 ND1 HIS D 78 -14.869 -4.186 10.847 1.00 0.00 N ATOM 1209 CD2 HIS D 78 -13.303 -2.726 11.275 1.00 0.00 C ATOM 1210 CE1 HIS D 78 -15.395 -3.270 11.642 1.00 0.00 C ATOM 1211 NE2 HIS D 78 -14.465 -2.374 11.916 1.00 0.00 N ATOM 0 H HIS D 78 -10.305 -4.416 11.799 1.00 0.00 H new ATOM 0 HA HIS D 78 -12.005 -5.823 11.445 1.00 0.00 H new ATOM 0 HB2 HIS D 78 -12.179 -4.063 8.991 1.00 0.00 H new ATOM 0 HB3 HIS D 78 -13.271 -5.421 9.176 1.00 0.00 H new ATOM 0 HD1 HIS D 78 -15.362 -4.998 10.476 1.00 0.00 H new ATOM 0 HD2 HIS D 78 -12.366 -2.189 11.306 1.00 0.00 H new ATOM 0 HE1 HIS D 78 -16.412 -3.257 12.005 1.00 0.00 H new ATOM 1220 N PRO D 79 -11.930 -7.732 9.612 1.00 0.00 N ATOM 1221 CA PRO D 79 -11.578 -8.945 8.864 1.00 0.00 C ATOM 1222 C PRO D 79 -11.307 -8.659 7.388 1.00 0.00 C ATOM 1223 O PRO D 79 -12.129 -8.960 6.523 1.00 0.00 O ATOM 1224 CB PRO D 79 -12.813 -9.845 9.017 1.00 0.00 C ATOM 1225 CG PRO D 79 -13.914 -8.932 9.439 1.00 0.00 C ATOM 1226 CD PRO D 79 -13.261 -7.838 10.233 1.00 0.00 C ATOM 0 HA PRO D 79 -10.661 -9.397 9.242 1.00 0.00 H new ATOM 0 HB2 PRO D 79 -13.054 -10.345 8.079 1.00 0.00 H new ATOM 0 HB3 PRO D 79 -12.642 -10.625 9.759 1.00 0.00 H new ATOM 0 HG2 PRO D 79 -14.438 -8.527 8.574 1.00 0.00 H new ATOM 0 HG3 PRO D 79 -14.653 -9.463 10.040 1.00 0.00 H new ATOM 0 HD2 PRO D 79 -13.815 -6.902 10.163 1.00 0.00 H new ATOM 0 HD3 PRO D 79 -13.194 -8.091 11.291 1.00 0.00 H new ATOM 1234 N SER D 80 -10.144 -8.078 7.109 1.00 0.00 N ATOM 1235 CA SER D 80 -9.753 -7.749 5.744 1.00 0.00 C ATOM 1236 C SER D 80 -8.373 -8.321 5.432 1.00 0.00 C ATOM 1237 O SER D 80 -7.886 -9.201 6.142 1.00 0.00 O ATOM 1238 CB SER D 80 -9.752 -6.231 5.543 1.00 0.00 C ATOM 1239 OG SER D 80 -8.530 -5.660 5.977 1.00 0.00 O ATOM 0 H SER D 80 -9.453 -7.825 7.815 1.00 0.00 H new ATOM 0 HA SER D 80 -10.477 -8.193 5.061 1.00 0.00 H new ATOM 0 HB2 SER D 80 -9.911 -6.000 4.490 1.00 0.00 H new ATOM 0 HB3 SER D 80 -10.581 -5.787 6.095 1.00 0.00 H new ATOM 0 HG SER D 80 -8.681 -5.153 6.802 1.00 0.00 H new ATOM 1245 N ASP D 81 -7.745 -7.824 4.369 1.00 0.00 N ATOM 1246 CA ASP D 81 -6.423 -8.306 3.986 1.00 0.00 C ATOM 1247 C ASP D 81 -5.458 -7.146 3.742 1.00 0.00 C ATOM 1248 O ASP D 81 -4.697 -7.152 2.773 1.00 0.00 O ATOM 1249 CB ASP D 81 -6.525 -9.189 2.740 1.00 0.00 C ATOM 1250 CG ASP D 81 -6.358 -10.661 3.060 1.00 0.00 C ATOM 1251 OD1 ASP D 81 -7.163 -11.190 3.855 1.00 0.00 O ATOM 1252 OD2 ASP D 81 -5.421 -11.285 2.518 1.00 0.00 O ATOM 0 H ASP D 81 -8.126 -7.096 3.764 1.00 0.00 H new ATOM 0 HA ASP D 81 -6.027 -8.900 4.810 1.00 0.00 H new ATOM 0 HB2 ASP D 81 -7.493 -9.031 2.264 1.00 0.00 H new ATOM 0 HB3 ASP D 81 -5.763 -8.888 2.021 1.00 0.00 H new ATOM 1257 N ILE D 82 -5.482 -6.156 4.631 1.00 0.00 N ATOM 1258 CA ILE D 82 -4.596 -5.003 4.507 1.00 0.00 C ATOM 1259 C ILE D 82 -3.388 -5.146 5.428 1.00 0.00 C ATOM 1260 O ILE D 82 -3.529 -5.215 6.649 1.00 0.00 O ATOM 1261 CB ILE D 82 -5.323 -3.677 4.817 1.00 0.00 C ATOM 1262 CG1 ILE D 82 -5.927 -3.690 6.222 1.00 0.00 C ATOM 1263 CG2 ILE D 82 -6.404 -3.412 3.782 1.00 0.00 C ATOM 1264 CD1 ILE D 82 -6.582 -2.378 6.598 1.00 0.00 C ATOM 0 H ILE D 82 -6.102 -6.129 5.441 1.00 0.00 H new ATOM 0 HA ILE D 82 -4.262 -4.974 3.470 1.00 0.00 H new ATOM 0 HB ILE D 82 -4.587 -2.874 4.774 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -6.665 -4.490 6.287 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -5.145 -3.919 6.945 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -6.908 -2.474 4.014 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -5.952 -3.346 2.792 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -7.129 -4.226 3.796 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -6.991 -2.451 7.606 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -5.842 -1.579 6.564 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -7.386 -2.158 5.895 1.00 0.00 H new ATOM 1276 N GLU D 83 -2.197 -5.200 4.838 1.00 0.00 N ATOM 1277 CA GLU D 83 -0.971 -5.344 5.619 1.00 0.00 C ATOM 1278 C GLU D 83 0.205 -4.636 4.951 1.00 0.00 C ATOM 1279 O GLU D 83 0.162 -4.318 3.763 1.00 0.00 O ATOM 1280 CB GLU D 83 -0.640 -6.825 5.828 1.00 0.00 C ATOM 1281 CG GLU D 83 -1.029 -7.714 4.657 1.00 0.00 C ATOM 1282 CD GLU D 83 -2.257 -8.556 4.947 1.00 0.00 C ATOM 1283 OE1 GLU D 83 -3.279 -7.984 5.383 1.00 0.00 O ATOM 1284 OE2 GLU D 83 -2.198 -9.786 4.739 1.00 0.00 O ATOM 0 H GLU D 83 -2.054 -5.147 3.829 1.00 0.00 H new ATOM 0 HA GLU D 83 -1.142 -4.875 6.588 1.00 0.00 H new ATOM 0 HB2 GLU D 83 0.430 -6.926 6.009 1.00 0.00 H new ATOM 0 HB3 GLU D 83 -1.149 -7.178 6.725 1.00 0.00 H new ATOM 0 HG2 GLU D 83 -1.217 -7.093 3.781 1.00 0.00 H new ATOM 0 HG3 GLU D 83 -0.194 -8.369 4.410 1.00 0.00 H new ATOM 1291 N VAL D 84 1.256 -4.394 5.732 1.00 0.00 N ATOM 1292 CA VAL D 84 2.451 -3.723 5.230 1.00 0.00 C ATOM 1293 C VAL D 84 3.714 -4.334 5.833 1.00 0.00 C ATOM 1294 O VAL D 84 3.815 -4.500 7.048 1.00 0.00 O ATOM 1295 CB VAL D 84 2.423 -2.214 5.550 1.00 0.00 C ATOM 1296 CG1 VAL D 84 3.639 -1.513 4.961 1.00 0.00 C ATOM 1297 CG2 VAL D 84 1.136 -1.586 5.036 1.00 0.00 C ATOM 0 H VAL D 84 1.303 -4.654 6.717 1.00 0.00 H new ATOM 0 HA VAL D 84 2.462 -3.858 4.148 1.00 0.00 H new ATOM 0 HB VAL D 84 2.457 -2.092 6.633 1.00 0.00 H new ATOM 0 HG11 VAL D 84 3.597 -0.450 5.200 1.00 0.00 H new ATOM 0 HG12 VAL D 84 4.547 -1.944 5.382 1.00 0.00 H new ATOM 0 HG13 VAL D 84 3.645 -1.642 3.879 1.00 0.00 H new ATOM 0 HG21 VAL D 84 1.132 -0.521 5.270 1.00 0.00 H new ATOM 0 HG22 VAL D 84 1.071 -1.721 3.956 1.00 0.00 H new ATOM 0 HG23 VAL D 84 0.281 -2.065 5.513 1.00 0.00 H new ATOM 1307 N ASP D 85 4.675 -4.665 4.975 1.00 0.00 N ATOM 1308 CA ASP D 85 5.933 -5.254 5.425 1.00 0.00 C ATOM 1309 C ASP D 85 7.121 -4.607 4.719 1.00 0.00 C ATOM 1310 O ASP D 85 7.339 -4.822 3.527 1.00 0.00 O ATOM 1311 CB ASP D 85 5.933 -6.763 5.171 1.00 0.00 C ATOM 1312 CG ASP D 85 5.100 -7.520 6.187 1.00 0.00 C ATOM 1313 OD1 ASP D 85 5.133 -7.146 7.379 1.00 0.00 O ATOM 1314 OD2 ASP D 85 4.415 -8.486 5.792 1.00 0.00 O ATOM 0 H ASP D 85 4.607 -4.536 3.966 1.00 0.00 H new ATOM 0 HA ASP D 85 6.028 -5.073 6.496 1.00 0.00 H new ATOM 0 HB2 ASP D 85 5.548 -6.960 4.170 1.00 0.00 H new ATOM 0 HB3 ASP D 85 6.958 -7.133 5.197 1.00 0.00 H new ATOM 1319 N LEU D 86 7.886 -3.814 5.462 1.00 0.00 N ATOM 1320 CA LEU D 86 9.050 -3.136 4.906 1.00 0.00 C ATOM 1321 C LEU D 86 10.325 -3.550 5.634 1.00 0.00 C ATOM 1322 O LEU D 86 10.657 -2.999 6.683 1.00 0.00 O ATOM 1323 CB LEU D 86 8.871 -1.618 4.993 1.00 0.00 C ATOM 1324 CG LEU D 86 8.384 -1.098 6.348 1.00 0.00 C ATOM 1325 CD1 LEU D 86 8.826 0.341 6.557 1.00 0.00 C ATOM 1326 CD2 LEU D 86 6.869 -1.214 6.450 1.00 0.00 C ATOM 0 H LEU D 86 7.720 -3.625 6.451 1.00 0.00 H new ATOM 0 HA LEU D 86 9.141 -3.427 3.860 1.00 0.00 H new ATOM 0 HB2 LEU D 86 9.823 -1.142 4.759 1.00 0.00 H new ATOM 0 HB3 LEU D 86 8.162 -1.307 4.226 1.00 0.00 H new ATOM 0 HG LEU D 86 8.829 -1.710 7.133 1.00 0.00 H new ATOM 0 HD11 LEU D 86 8.471 0.694 7.525 1.00 0.00 H new ATOM 0 HD12 LEU D 86 9.914 0.395 6.528 1.00 0.00 H new ATOM 0 HD13 LEU D 86 8.410 0.968 5.768 1.00 0.00 H new ATOM 0 HD21 LEU D 86 6.540 -0.840 7.419 1.00 0.00 H new ATOM 0 HD22 LEU D 86 6.405 -0.626 5.658 1.00 0.00 H new ATOM 0 HD23 LEU D 86 6.576 -2.259 6.346 1.00 0.00 H new ATOM 1338 N LEU D 87 11.036 -4.522 5.069 1.00 0.00 N ATOM 1339 CA LEU D 87 12.276 -5.009 5.664 1.00 0.00 C ATOM 1340 C LEU D 87 12.028 -5.580 7.060 1.00 0.00 C ATOM 1341 O LEU D 87 11.900 -6.792 7.229 1.00 0.00 O ATOM 1342 CB LEU D 87 13.312 -3.883 5.733 1.00 0.00 C ATOM 1343 CG LEU D 87 13.934 -3.492 4.391 1.00 0.00 C ATOM 1344 CD1 LEU D 87 13.105 -2.414 3.712 1.00 0.00 C ATOM 1345 CD2 LEU D 87 15.367 -3.020 4.588 1.00 0.00 C ATOM 0 H LEU D 87 10.774 -4.988 4.200 1.00 0.00 H new ATOM 0 HA LEU D 87 12.662 -5.808 5.031 1.00 0.00 H new ATOM 0 HB2 LEU D 87 12.840 -3.002 6.168 1.00 0.00 H new ATOM 0 HB3 LEU D 87 14.110 -4.185 6.412 1.00 0.00 H new ATOM 0 HG LEU D 87 13.946 -4.371 3.747 1.00 0.00 H new ATOM 0 HD11 LEU D 87 13.563 -2.149 2.759 1.00 0.00 H new ATOM 0 HD12 LEU D 87 12.096 -2.787 3.538 1.00 0.00 H new ATOM 0 HD13 LEU D 87 13.061 -1.532 4.351 1.00 0.00 H new ATOM 0 HD21 LEU D 87 15.795 -2.746 3.624 1.00 0.00 H new ATOM 0 HD22 LEU D 87 15.377 -2.154 5.249 1.00 0.00 H new ATOM 0 HD23 LEU D 87 15.957 -3.822 5.032 1.00 0.00 H new ATOM 1357 N LYS D 88 11.960 -4.699 8.056 1.00 0.00 N ATOM 1358 CA LYS D 88 11.724 -5.115 9.436 1.00 0.00 C ATOM 1359 C LYS D 88 12.680 -6.234 9.844 1.00 0.00 C ATOM 1360 O LYS D 88 13.750 -5.921 10.408 1.00 0.00 O ATOM 1361 CB LYS D 88 10.274 -5.571 9.611 1.00 0.00 C ATOM 1362 CG LYS D 88 9.535 -4.835 10.716 1.00 0.00 C ATOM 1363 CD LYS D 88 8.033 -4.839 10.481 1.00 0.00 C ATOM 1364 CE LYS D 88 7.267 -4.593 11.771 1.00 0.00 C ATOM 1365 NZ LYS D 88 7.791 -3.415 12.514 1.00 0.00 N ATOM 1366 OXT LYS D 88 12.349 -7.413 9.599 1.00 0.00 O ATOM 0 H LYS D 88 12.065 -3.692 7.933 1.00 0.00 H new ATOM 0 HA LYS D 88 11.908 -4.258 10.083 1.00 0.00 H new ATOM 0 HB2 LYS D 88 9.741 -5.428 8.671 1.00 0.00 H new ATOM 0 HB3 LYS D 88 10.261 -6.640 9.826 1.00 0.00 H new ATOM 0 HG2 LYS D 88 9.755 -5.302 11.676 1.00 0.00 H new ATOM 0 HG3 LYS D 88 9.893 -3.807 10.772 1.00 0.00 H new ATOM 0 HD2 LYS D 88 7.776 -4.071 9.752 1.00 0.00 H new ATOM 0 HD3 LYS D 88 7.733 -5.796 10.055 1.00 0.00 H new ATOM 0 HE2 LYS D 88 6.213 -4.438 11.543 1.00 0.00 H new ATOM 0 HE3 LYS D 88 7.329 -5.478 12.404 1.00 0.00 H new ATOM 0 HZ1 LYS D 88 7.110 -3.137 13.249 1.00 0.00 H new ATOM 0 HZ2 LYS D 88 8.699 -3.660 12.958 1.00 0.00 H new ATOM 0 HZ3 LYS D 88 7.931 -2.623 11.855 1.00 0.00 H new TER 1380 LYS D 88