USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=25 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: B 36 SER OG : rot -158:sc= 0.416 USER MOD Set 1.2: C 58 SER OG : rot -145:sc= 1.75 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.0732 X(o=-0.073,f=-0.53) USER MOD Single : A 6 CYS SG : rot 180:sc= 0.0213 USER MOD Single : A 7 TYR OH : rot 64:sc= 0.805 USER MOD Single : A 9 SER OG : rot 54:sc= 1.27 USER MOD Single : A 12 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.48) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -145:sc= -0.299 (180deg=-1.47!) USER MOD Single : B 23 SER OG : rot 26:sc= 0.159 USER MOD Single : B 24 ASN : amide:sc= -0.667 X(o=-0.67,f=-0.26) USER MOD Single : B 27 ASN : amide:sc= -2 K(o=-2,f=-8.6!) USER MOD Single : B 28 CYS SG : rot -54:sc= 0.0212 USER MOD Single : B 29 TYR OH : rot 152:sc= -1.43! USER MOD Single : B 31 SER OG : rot 119:sc= -0.991 USER MOD Single : B 34 HIS :FLIP no HD1:sc= -1.89! C(o=-2.8!,f=-1.9!) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 SER OG : rot 35:sc= 0.297 USER MOD Single : C 46 ASN :FLIP amide:sc= -0.0202 F(o=-0.95,f=-0.02) USER MOD Single : C 49 ASN : amide:sc= -5.11! C(o=-5.1!,f=-10!) USER MOD Single : C 50 CYS SG : rot -14:sc= 0.0663 USER MOD Single : C 51 TYR OH : rot 107:sc= 1.24 USER MOD Single : C 53 SER OG : rot -172:sc= 0.14 USER MOD Single : C 56 HIS : no HD1:sc= -3.24 K(o=-3.2,f=-4.3!) USER MOD Single : C 66 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0119) USER MOD Single : D 67 SER OG : rot 180:sc= -0.0203 USER MOD Single : D 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 71 ASN :FLIP amide:sc= -0.725 F(o=-2!,f=-0.72) 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 -132:sc= -2.82 USER MOD Single : D 78 HIS : no HD1:sc= -0.309 X(o=-0.31,f=-0.097) USER MOD Single : D 80 SER OG : rot 53:sc= -0.014 USER MOD Single : D 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.216 7.202 -6.194 1.00 0.00 N ATOM 2 CA SER A 1 15.095 6.745 -7.056 1.00 0.00 C ATOM 3 C SER A 1 13.763 7.304 -6.567 1.00 0.00 C ATOM 4 O SER A 1 13.137 6.745 -5.666 1.00 0.00 O ATOM 5 CB SER A 1 15.062 5.216 -7.043 1.00 0.00 C ATOM 6 OG SER A 1 14.280 4.714 -8.113 1.00 0.00 O ATOM 0 H1 SER A 1 17.110 6.807 -6.549 1.00 0.00 H new ATOM 0 H2 SER A 1 16.265 8.241 -6.210 1.00 0.00 H new ATOM 0 H3 SER A 1 16.058 6.878 -5.218 1.00 0.00 H new ATOM 0 HA SER A 1 15.252 7.109 -8.071 1.00 0.00 H new ATOM 0 HB2 SER A 1 16.077 4.827 -7.116 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.654 4.866 -6.095 1.00 0.00 H new ATOM 0 HG SER A 1 14.276 3.734 -8.084 1.00 0.00 H new ATOM 14 N ASN A 2 13.335 8.410 -7.167 1.00 0.00 N ATOM 15 CA ASN A 2 12.077 9.044 -6.793 1.00 0.00 C ATOM 16 C ASN A 2 10.899 8.110 -7.048 1.00 0.00 C ATOM 17 O ASN A 2 10.420 7.993 -8.177 1.00 0.00 O ATOM 18 CB ASN A 2 11.888 10.346 -7.573 1.00 0.00 C ATOM 19 CG ASN A 2 12.581 11.522 -6.912 1.00 0.00 C ATOM 20 OD1 ASN A 2 13.772 11.752 -7.119 1.00 0.00 O ATOM 21 ND2 ASN A 2 11.835 12.274 -6.110 1.00 0.00 N ATOM 0 H ASN A 2 13.841 8.885 -7.914 1.00 0.00 H new ATOM 0 HA ASN A 2 12.115 9.268 -5.727 1.00 0.00 H new ATOM 0 HB2 ASN A 2 12.276 10.220 -8.584 1.00 0.00 H new ATOM 0 HB3 ASN A 2 10.823 10.560 -7.665 1.00 0.00 H new ATOM 0 HD21 ASN A 2 12.246 13.079 -5.637 1.00 0.00 H new ATOM 0 HD22 ASN A 2 10.851 12.047 -5.967 1.00 0.00 H new ATOM 28 N PHE A 3 10.435 7.447 -5.994 1.00 0.00 N ATOM 29 CA PHE A 3 9.313 6.524 -6.107 1.00 0.00 C ATOM 30 C PHE A 3 8.031 7.159 -5.579 1.00 0.00 C ATOM 31 O PHE A 3 7.909 7.439 -4.386 1.00 0.00 O ATOM 32 CB PHE A 3 9.606 5.231 -5.341 1.00 0.00 C ATOM 33 CG PHE A 3 8.483 4.233 -5.393 1.00 0.00 C ATOM 34 CD1 PHE A 3 7.469 4.264 -4.450 1.00 0.00 C ATOM 35 CD2 PHE A 3 8.442 3.268 -6.386 1.00 0.00 C ATOM 36 CE1 PHE A 3 6.434 3.349 -4.496 1.00 0.00 C ATOM 37 CE2 PHE A 3 7.410 2.350 -6.437 1.00 0.00 C ATOM 38 CZ PHE A 3 6.405 2.391 -5.490 1.00 0.00 C ATOM 0 H PHE A 3 10.819 7.532 -5.053 1.00 0.00 H new ATOM 0 HA PHE A 3 9.175 6.289 -7.163 1.00 0.00 H new ATOM 0 HB2 PHE A 3 10.507 4.773 -5.749 1.00 0.00 H new ATOM 0 HB3 PHE A 3 9.816 5.475 -4.300 1.00 0.00 H new ATOM 0 HD1 PHE A 3 7.487 5.011 -3.670 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.225 3.233 -7.129 1.00 0.00 H new ATOM 0 HE1 PHE A 3 5.649 3.383 -3.755 1.00 0.00 H new ATOM 0 HE2 PHE A 3 7.389 1.602 -7.216 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.598 1.675 -5.527 1.00 0.00 H new ATOM 48 N LEU A 4 7.075 7.382 -6.475 1.00 0.00 N ATOM 49 CA LEU A 4 5.800 7.982 -6.099 1.00 0.00 C ATOM 50 C LEU A 4 4.646 7.031 -6.397 1.00 0.00 C ATOM 51 O LEU A 4 4.211 6.906 -7.542 1.00 0.00 O ATOM 52 CB LEU A 4 5.588 9.306 -6.841 1.00 0.00 C ATOM 53 CG LEU A 4 6.859 10.113 -7.124 1.00 0.00 C ATOM 54 CD1 LEU A 4 7.735 10.200 -5.882 1.00 0.00 C ATOM 55 CD2 LEU A 4 7.633 9.498 -8.281 1.00 0.00 C ATOM 0 H LEU A 4 7.159 7.156 -7.466 1.00 0.00 H new ATOM 0 HA LEU A 4 5.824 8.178 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.093 9.096 -7.789 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.908 9.925 -6.256 1.00 0.00 H new ATOM 0 HG LEU A 4 6.564 11.125 -7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.631 10.778 -6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.182 10.688 -5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.020 9.196 -5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.533 10.084 -8.469 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.912 8.475 -8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.009 9.495 -9.175 1.00 0.00 H new ATOM 67 N ASN A 5 4.153 6.361 -5.360 1.00 0.00 N ATOM 68 CA ASN A 5 3.048 5.421 -5.511 1.00 0.00 C ATOM 69 C ASN A 5 1.858 5.841 -4.654 1.00 0.00 C ATOM 70 O ASN A 5 1.683 5.355 -3.538 1.00 0.00 O ATOM 71 CB ASN A 5 3.494 4.008 -5.131 1.00 0.00 C ATOM 72 CG ASN A 5 2.395 2.981 -5.321 1.00 0.00 C ATOM 73 OD1 ASN A 5 1.580 3.089 -6.237 1.00 0.00 O ATOM 74 ND2 ASN A 5 2.366 1.977 -4.452 1.00 0.00 N ATOM 0 H ASN A 5 4.502 6.452 -4.406 1.00 0.00 H new ATOM 0 HA ASN A 5 2.740 5.425 -6.557 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.357 3.728 -5.735 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.818 4.000 -4.090 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.648 1.256 -4.529 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.062 1.927 -3.708 1.00 0.00 H new ATOM 81 N CYS A 6 1.043 6.746 -5.185 1.00 0.00 N ATOM 82 CA CYS A 6 -0.131 7.231 -4.469 1.00 0.00 C ATOM 83 C CYS A 6 -1.353 6.377 -4.786 1.00 0.00 C ATOM 84 O CYS A 6 -1.268 5.412 -5.546 1.00 0.00 O ATOM 85 CB CYS A 6 -0.407 8.692 -4.827 1.00 0.00 C ATOM 86 SG CYS A 6 -0.786 8.963 -6.574 1.00 0.00 S ATOM 0 H CYS A 6 1.174 7.158 -6.109 1.00 0.00 H new ATOM 0 HA CYS A 6 0.072 7.160 -3.400 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.242 9.051 -4.225 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.462 9.292 -4.557 1.00 0.00 H new ATOM 0 HG CYS A 6 -1.007 10.228 -6.779 1.00 0.00 H new ATOM 92 N TYR A 7 -2.490 6.736 -4.199 1.00 0.00 N ATOM 93 CA TYR A 7 -3.730 6.002 -4.421 1.00 0.00 C ATOM 94 C TYR A 7 -4.916 6.736 -3.804 1.00 0.00 C ATOM 95 O TYR A 7 -5.045 6.815 -2.582 1.00 0.00 O ATOM 96 CB TYR A 7 -3.626 4.593 -3.829 1.00 0.00 C ATOM 97 CG TYR A 7 -4.581 3.589 -4.444 1.00 0.00 C ATOM 98 CD1 TYR A 7 -5.667 4.001 -5.211 1.00 0.00 C ATOM 99 CD2 TYR A 7 -4.398 2.225 -4.252 1.00 0.00 C ATOM 100 CE1 TYR A 7 -6.538 3.083 -5.768 1.00 0.00 C ATOM 101 CE2 TYR A 7 -5.265 1.303 -4.804 1.00 0.00 C ATOM 102 CZ TYR A 7 -6.333 1.737 -5.561 1.00 0.00 C ATOM 103 OH TYR A 7 -7.199 0.821 -6.112 1.00 0.00 O ATOM 0 H TYR A 7 -2.578 7.531 -3.566 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.891 5.928 -5.497 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.605 4.232 -3.956 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.814 4.647 -2.757 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.832 5.056 -5.374 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.563 1.880 -3.661 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.375 3.420 -6.362 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.108 0.247 -4.644 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.145 0.867 -7.089 1.00 0.00 H new ATOM 113 N VAL A 8 -5.783 7.271 -4.658 1.00 0.00 N ATOM 114 CA VAL A 8 -6.962 7.996 -4.199 1.00 0.00 C ATOM 115 C VAL A 8 -8.216 7.138 -4.331 1.00 0.00 C ATOM 116 O VAL A 8 -8.420 6.475 -5.349 1.00 0.00 O ATOM 117 CB VAL A 8 -7.158 9.304 -4.990 1.00 0.00 C ATOM 118 CG1 VAL A 8 -7.365 9.014 -6.468 1.00 0.00 C ATOM 119 CG2 VAL A 8 -8.324 10.102 -4.427 1.00 0.00 C ATOM 0 H VAL A 8 -5.691 7.216 -5.672 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.800 8.238 -3.149 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.254 9.904 -4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.501 9.951 -7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.493 8.492 -6.862 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.250 8.390 -6.596 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.446 11.022 -4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.236 9.510 -4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.127 10.348 -3.383 1.00 0.00 H new ATOM 129 N SER A 9 -9.053 7.153 -3.295 1.00 0.00 N ATOM 130 CA SER A 9 -10.292 6.376 -3.288 1.00 0.00 C ATOM 131 C SER A 9 -11.025 6.479 -4.625 1.00 0.00 C ATOM 132 O SER A 9 -11.771 7.428 -4.867 1.00 0.00 O ATOM 133 CB SER A 9 -11.208 6.851 -2.158 1.00 0.00 C ATOM 134 OG SER A 9 -11.757 8.124 -2.448 1.00 0.00 O ATOM 0 H SER A 9 -8.895 7.697 -2.447 1.00 0.00 H new ATOM 0 HA SER A 9 -10.026 5.331 -3.126 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.012 6.130 -2.010 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.646 6.898 -1.225 1.00 0.00 H new ATOM 0 HG SER A 9 -12.195 8.099 -3.324 1.00 0.00 H new ATOM 140 N GLY A 10 -10.802 5.492 -5.488 1.00 0.00 N ATOM 141 CA GLY A 10 -11.438 5.480 -6.791 1.00 0.00 C ATOM 142 C GLY A 10 -10.888 4.383 -7.681 1.00 0.00 C ATOM 143 O GLY A 10 -9.824 4.538 -8.282 1.00 0.00 O ATOM 0 H GLY A 10 -10.189 4.697 -5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.512 5.343 -6.669 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.293 6.446 -7.274 1.00 0.00 H new ATOM 147 N PHE A 11 -11.606 3.267 -7.757 1.00 0.00 N ATOM 148 CA PHE A 11 -11.174 2.137 -8.570 1.00 0.00 C ATOM 149 C PHE A 11 -12.091 1.932 -9.773 1.00 0.00 C ATOM 150 O PHE A 11 -13.027 2.701 -9.997 1.00 0.00 O ATOM 151 CB PHE A 11 -11.137 0.864 -7.720 1.00 0.00 C ATOM 152 CG PHE A 11 -10.090 -0.122 -8.155 1.00 0.00 C ATOM 153 CD1 PHE A 11 -8.768 0.268 -8.295 1.00 0.00 C ATOM 154 CD2 PHE A 11 -10.430 -1.436 -8.429 1.00 0.00 C ATOM 155 CE1 PHE A 11 -7.804 -0.636 -8.699 1.00 0.00 C ATOM 156 CE2 PHE A 11 -9.470 -2.345 -8.835 1.00 0.00 C ATOM 157 CZ PHE A 11 -8.155 -1.944 -8.970 1.00 0.00 C ATOM 0 H PHE A 11 -12.488 3.122 -7.266 1.00 0.00 H new ATOM 0 HA PHE A 11 -10.173 2.355 -8.942 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.957 1.137 -6.680 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.115 0.383 -7.759 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.488 1.290 -8.086 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.457 -1.755 -8.324 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.777 -0.320 -8.803 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.748 -3.367 -9.046 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.403 -2.652 -9.287 1.00 0.00 H new ATOM 167 N HIS A 12 -11.809 0.886 -10.543 1.00 0.00 N ATOM 168 CA HIS A 12 -12.593 0.556 -11.726 1.00 0.00 C ATOM 169 C HIS A 12 -12.184 -0.813 -12.267 1.00 0.00 C ATOM 170 O HIS A 12 -12.998 -1.735 -12.317 1.00 0.00 O ATOM 171 CB HIS A 12 -12.422 1.629 -12.805 1.00 0.00 C ATOM 172 CG HIS A 12 -13.711 2.040 -13.446 1.00 0.00 C ATOM 173 ND1 HIS A 12 -14.858 1.277 -13.386 1.00 0.00 N ATOM 174 CD2 HIS A 12 -14.033 3.141 -14.168 1.00 0.00 C ATOM 175 CE1 HIS A 12 -15.828 1.888 -14.044 1.00 0.00 C ATOM 176 NE2 HIS A 12 -15.353 3.022 -14.527 1.00 0.00 N ATOM 0 H HIS A 12 -11.034 0.247 -10.365 1.00 0.00 H new ATOM 0 HA HIS A 12 -13.645 0.520 -11.443 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.949 2.506 -12.363 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -11.746 1.256 -13.574 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -13.374 3.960 -14.415 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -16.837 1.522 -14.166 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -15.881 3.699 -15.077 1.00 0.00 H new ATOM 185 N PRO A 13 -10.907 -0.973 -12.672 1.00 0.00 N ATOM 186 CA PRO A 13 -10.402 -2.248 -13.196 1.00 0.00 C ATOM 187 C PRO A 13 -10.582 -3.387 -12.197 1.00 0.00 C ATOM 188 O PRO A 13 -11.373 -3.280 -11.260 1.00 0.00 O ATOM 189 CB PRO A 13 -8.910 -1.979 -13.444 1.00 0.00 C ATOM 190 CG PRO A 13 -8.596 -0.750 -12.661 1.00 0.00 C ATOM 191 CD PRO A 13 -9.857 0.060 -12.647 1.00 0.00 C ATOM 0 HA PRO A 13 -10.938 -2.561 -14.092 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.299 -2.820 -13.117 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.708 -1.832 -14.505 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.282 -1.002 -11.648 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.779 -0.193 -13.119 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.926 0.686 -11.757 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.921 0.724 -13.509 1.00 0.00 H new ATOM 199 N SER A 14 -9.851 -4.480 -12.401 1.00 0.00 N ATOM 200 CA SER A 14 -9.945 -5.634 -11.513 1.00 0.00 C ATOM 201 C SER A 14 -8.582 -6.010 -10.938 1.00 0.00 C ATOM 202 O SER A 14 -8.363 -5.925 -9.728 1.00 0.00 O ATOM 203 CB SER A 14 -10.542 -6.828 -12.261 1.00 0.00 C ATOM 204 OG SER A 14 -10.392 -6.679 -13.662 1.00 0.00 O ATOM 0 H SER A 14 -9.190 -4.590 -13.170 1.00 0.00 H new ATOM 0 HA SER A 14 -10.598 -5.363 -10.683 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.053 -7.746 -11.935 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.599 -6.924 -12.014 1.00 0.00 H new ATOM 0 HG SER A 14 -10.780 -7.456 -14.117 1.00 0.00 H new ATOM 210 N ASP A 15 -7.672 -6.437 -11.809 1.00 0.00 N ATOM 211 CA ASP A 15 -6.335 -6.841 -11.384 1.00 0.00 C ATOM 212 C ASP A 15 -5.326 -5.708 -11.558 1.00 0.00 C ATOM 213 O ASP A 15 -4.953 -5.361 -12.679 1.00 0.00 O ATOM 214 CB ASP A 15 -5.877 -8.067 -12.174 1.00 0.00 C ATOM 215 CG ASP A 15 -5.886 -7.826 -13.671 1.00 0.00 C ATOM 216 OD1 ASP A 15 -6.986 -7.665 -14.240 1.00 0.00 O ATOM 217 OD2 ASP A 15 -4.793 -7.798 -14.275 1.00 0.00 O ATOM 0 H ASP A 15 -7.836 -6.512 -12.813 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.386 -7.090 -10.324 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.871 -8.344 -11.859 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.527 -8.910 -11.940 1.00 0.00 H new ATOM 222 N ILE A 16 -4.881 -5.145 -10.438 1.00 0.00 N ATOM 223 CA ILE A 16 -3.907 -4.058 -10.457 1.00 0.00 C ATOM 224 C ILE A 16 -2.707 -4.397 -9.573 1.00 0.00 C ATOM 225 O ILE A 16 -2.855 -5.021 -8.523 1.00 0.00 O ATOM 226 CB ILE A 16 -4.548 -2.721 -10.002 1.00 0.00 C ATOM 227 CG1 ILE A 16 -4.945 -1.885 -11.222 1.00 0.00 C ATOM 228 CG2 ILE A 16 -3.607 -1.926 -9.104 1.00 0.00 C ATOM 229 CD1 ILE A 16 -6.148 -2.424 -11.962 1.00 0.00 C ATOM 0 H ILE A 16 -5.180 -5.424 -9.504 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.564 -3.937 -11.484 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.440 -2.959 -9.423 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.155 -0.865 -10.900 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.100 -1.835 -11.908 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.089 -0.996 -8.805 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.368 -2.513 -8.217 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.689 -1.700 -9.647 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.370 -1.781 -12.813 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.936 -3.433 -12.315 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.007 -2.448 -11.292 1.00 0.00 H new ATOM 241 N GLU A 17 -1.522 -3.984 -10.010 1.00 0.00 N ATOM 242 CA GLU A 17 -0.296 -4.245 -9.262 1.00 0.00 C ATOM 243 C GLU A 17 0.907 -3.637 -9.970 1.00 0.00 C ATOM 244 O GLU A 17 0.872 -3.407 -11.179 1.00 0.00 O ATOM 245 CB GLU A 17 -0.092 -5.750 -9.086 1.00 0.00 C ATOM 246 CG GLU A 17 -0.167 -6.532 -10.387 1.00 0.00 C ATOM 247 CD GLU A 17 1.203 -6.874 -10.941 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.039 -5.956 -11.067 1.00 0.00 O ATOM 249 OE2 GLU A 17 1.437 -8.062 -11.251 1.00 0.00 O ATOM 0 H GLU A 17 -1.384 -3.467 -10.878 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.391 -3.782 -8.280 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.879 -5.925 -8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.846 -6.132 -8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.728 -7.452 -10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.719 -5.950 -11.125 1.00 0.00 H new ATOM 256 N VAL A 18 1.970 -3.376 -9.216 1.00 0.00 N ATOM 257 CA VAL A 18 3.173 -2.791 -9.792 1.00 0.00 C ATOM 258 C VAL A 18 4.273 -2.611 -8.740 1.00 0.00 C ATOM 259 O VAL A 18 4.146 -3.095 -7.612 1.00 0.00 O ATOM 260 CB VAL A 18 2.850 -1.434 -10.467 1.00 0.00 C ATOM 261 CG1 VAL A 18 3.095 -0.260 -9.525 1.00 0.00 C ATOM 262 CG2 VAL A 18 3.646 -1.276 -11.753 1.00 0.00 C ATOM 0 H VAL A 18 2.022 -3.559 -8.214 1.00 0.00 H new ATOM 0 HA VAL A 18 3.544 -3.483 -10.548 1.00 0.00 H new ATOM 0 HB VAL A 18 1.788 -1.432 -10.714 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.857 0.673 -10.036 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.462 -0.363 -8.644 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.142 -0.250 -9.221 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.407 -0.318 -12.214 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.712 -1.315 -11.528 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.391 -2.083 -12.440 1.00 0.00 H new ATOM 272 N ASP A 19 5.344 -1.908 -9.144 1.00 0.00 N ATOM 273 CA ASP A 19 6.512 -1.613 -8.297 1.00 0.00 C ATOM 274 C ASP A 19 7.806 -2.040 -9.005 1.00 0.00 C ATOM 275 O ASP A 19 8.018 -1.684 -10.164 1.00 0.00 O ATOM 276 CB ASP A 19 6.408 -2.258 -6.911 1.00 0.00 C ATOM 277 CG ASP A 19 5.422 -1.538 -6.014 1.00 0.00 C ATOM 278 OD1 ASP A 19 4.579 -0.782 -6.541 1.00 0.00 O ATOM 279 OD2 ASP A 19 5.495 -1.731 -4.786 1.00 0.00 O ATOM 0 H ASP A 19 5.424 -1.522 -10.085 1.00 0.00 H new ATOM 0 HA ASP A 19 6.534 -0.535 -8.139 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.104 -3.299 -7.019 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.391 -2.260 -6.439 1.00 0.00 H new ATOM 284 N LEU A 20 8.672 -2.794 -8.322 1.00 0.00 N ATOM 285 CA LEU A 20 9.926 -3.234 -8.922 1.00 0.00 C ATOM 286 C LEU A 20 10.377 -4.571 -8.339 1.00 0.00 C ATOM 287 O LEU A 20 9.981 -4.947 -7.234 1.00 0.00 O ATOM 288 CB LEU A 20 11.017 -2.182 -8.703 1.00 0.00 C ATOM 289 CG LEU A 20 10.742 -0.815 -9.337 1.00 0.00 C ATOM 290 CD1 LEU A 20 10.043 0.104 -8.345 1.00 0.00 C ATOM 291 CD2 LEU A 20 12.038 -0.187 -9.827 1.00 0.00 C ATOM 0 H LEU A 20 8.526 -3.108 -7.362 1.00 0.00 H new ATOM 0 HA LEU A 20 9.757 -3.363 -9.991 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.158 -2.046 -7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.956 -2.567 -9.101 1.00 0.00 H new ATOM 0 HG LEU A 20 10.083 -0.958 -10.193 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.856 1.070 -8.814 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.096 -0.341 -8.042 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.676 0.242 -7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.825 0.784 -10.275 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.720 -0.057 -8.987 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.499 -0.837 -10.571 1.00 0.00 H new ATOM 303 N LEU A 21 11.211 -5.280 -9.094 1.00 0.00 N ATOM 304 CA LEU A 21 11.727 -6.575 -8.665 1.00 0.00 C ATOM 305 C LEU A 21 13.161 -6.441 -8.159 1.00 0.00 C ATOM 306 O LEU A 21 13.995 -5.793 -8.792 1.00 0.00 O ATOM 307 CB LEU A 21 11.671 -7.576 -9.825 1.00 0.00 C ATOM 308 CG LEU A 21 11.232 -8.993 -9.448 1.00 0.00 C ATOM 309 CD1 LEU A 21 12.328 -9.704 -8.672 1.00 0.00 C ATOM 310 CD2 LEU A 21 9.940 -8.961 -8.645 1.00 0.00 C ATOM 0 H LEU A 21 11.545 -4.978 -10.009 1.00 0.00 H new ATOM 0 HA LEU A 21 11.104 -6.941 -7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.988 -7.191 -10.582 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.658 -7.630 -10.284 1.00 0.00 H new ATOM 0 HG LEU A 21 11.048 -9.549 -10.367 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.997 -10.710 -8.413 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.227 -9.765 -9.285 1.00 0.00 H new ATOM 0 HD13 LEU A 21 12.547 -9.148 -7.760 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.646 -9.979 -8.388 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.093 -8.386 -7.732 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.154 -8.496 -9.239 1.00 0.00 H new ATOM 322 N LYS A 22 13.441 -7.055 -7.015 1.00 0.00 N ATOM 323 CA LYS A 22 14.772 -7.003 -6.425 1.00 0.00 C ATOM 324 C LYS A 22 15.046 -8.248 -5.588 1.00 0.00 C ATOM 325 O LYS A 22 15.783 -9.134 -6.071 1.00 0.00 O ATOM 326 CB LYS A 22 14.920 -5.750 -5.559 1.00 0.00 C ATOM 327 CG LYS A 22 14.640 -4.456 -6.307 1.00 0.00 C ATOM 328 CD LYS A 22 15.111 -3.243 -5.519 1.00 0.00 C ATOM 329 CE LYS A 22 15.771 -2.214 -6.423 1.00 0.00 C ATOM 330 NZ LYS A 22 16.849 -2.817 -7.255 1.00 0.00 N ATOM 331 OXT LYS A 22 14.522 -8.327 -4.458 1.00 0.00 O ATOM 0 H LYS A 22 12.763 -7.595 -6.478 1.00 0.00 H new ATOM 0 HA LYS A 22 15.500 -6.965 -7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.241 -5.823 -4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.932 -5.715 -5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.140 -4.479 -7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.571 -4.372 -6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.263 -2.788 -5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.816 -3.559 -4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.019 -1.765 -7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.188 -1.411 -5.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.618 -2.128 -7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.219 -3.666 -6.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.464 -3.079 -8.185 1.00 0.00 H new TER 345 LYS A 22 ATOM 346 N SER B 23 12.402 11.670 -2.441 1.00 0.00 N ATOM 347 CA SER B 23 13.674 11.276 -1.782 1.00 0.00 C ATOM 348 C SER B 23 14.013 9.816 -2.067 1.00 0.00 C ATOM 349 O SER B 23 15.067 9.510 -2.624 1.00 0.00 O ATOM 350 CB SER B 23 13.530 11.500 -0.275 1.00 0.00 C ATOM 351 OG SER B 23 13.129 12.829 0.007 1.00 0.00 O ATOM 0 HA SER B 23 14.487 11.885 -2.178 1.00 0.00 H new ATOM 0 HB2 SER B 23 12.798 10.802 0.131 1.00 0.00 H new ATOM 0 HB3 SER B 23 14.479 11.290 0.219 1.00 0.00 H new ATOM 0 HG SER B 23 12.645 13.195 -0.762 1.00 0.00 H new ATOM 359 N ASN B 24 13.111 8.919 -1.680 1.00 0.00 N ATOM 360 CA ASN B 24 13.314 7.490 -1.894 1.00 0.00 C ATOM 361 C ASN B 24 11.989 6.792 -2.186 1.00 0.00 C ATOM 362 O ASN B 24 11.692 6.458 -3.333 1.00 0.00 O ATOM 363 CB ASN B 24 13.981 6.859 -0.670 1.00 0.00 C ATOM 364 CG ASN B 24 15.399 7.353 -0.467 1.00 0.00 C ATOM 365 OD1 ASN B 24 16.359 6.722 -0.910 1.00 0.00 O ATOM 366 ND2 ASN B 24 15.539 8.488 0.207 1.00 0.00 N ATOM 0 H ASN B 24 12.233 9.156 -1.217 1.00 0.00 H new ATOM 0 HA ASN B 24 13.967 7.365 -2.757 1.00 0.00 H new ATOM 0 HB2 ASN B 24 13.390 7.083 0.218 1.00 0.00 H new ATOM 0 HB3 ASN B 24 13.989 5.775 -0.782 1.00 0.00 H new ATOM 0 HD21 ASN B 24 16.470 8.870 0.375 1.00 0.00 H new ATOM 0 HD22 ASN B 24 14.716 8.979 0.556 1.00 0.00 H new ATOM 373 N PHE B 25 11.196 6.576 -1.141 1.00 0.00 N ATOM 374 CA PHE B 25 9.902 5.919 -1.286 1.00 0.00 C ATOM 375 C PHE B 25 8.799 6.749 -0.634 1.00 0.00 C ATOM 376 O PHE B 25 8.908 7.148 0.526 1.00 0.00 O ATOM 377 CB PHE B 25 9.947 4.516 -0.668 1.00 0.00 C ATOM 378 CG PHE B 25 8.593 3.880 -0.500 1.00 0.00 C ATOM 379 CD1 PHE B 25 7.995 3.200 -1.549 1.00 0.00 C ATOM 380 CD2 PHE B 25 7.920 3.964 0.708 1.00 0.00 C ATOM 381 CE1 PHE B 25 6.752 2.617 -1.395 1.00 0.00 C ATOM 382 CE2 PHE B 25 6.677 3.384 0.868 1.00 0.00 C ATOM 383 CZ PHE B 25 6.092 2.708 -0.186 1.00 0.00 C ATOM 0 H PHE B 25 11.427 6.846 -0.185 1.00 0.00 H new ATOM 0 HA PHE B 25 9.680 5.828 -2.349 1.00 0.00 H new ATOM 0 HB2 PHE B 25 10.564 3.873 -1.295 1.00 0.00 H new ATOM 0 HB3 PHE B 25 10.434 4.574 0.306 1.00 0.00 H new ATOM 0 HD1 PHE B 25 8.506 3.125 -2.497 1.00 0.00 H new ATOM 0 HD2 PHE B 25 8.373 4.490 1.535 1.00 0.00 H new ATOM 0 HE1 PHE B 25 6.297 2.090 -2.220 1.00 0.00 H new ATOM 0 HE2 PHE B 25 6.163 3.459 1.815 1.00 0.00 H new ATOM 0 HZ PHE B 25 5.121 2.252 -0.064 1.00 0.00 H new ATOM 393 N LEU B 26 7.736 7.000 -1.389 1.00 0.00 N ATOM 394 CA LEU B 26 6.608 7.779 -0.891 1.00 0.00 C ATOM 395 C LEU B 26 5.291 7.202 -1.403 1.00 0.00 C ATOM 396 O LEU B 26 4.818 7.567 -2.478 1.00 0.00 O ATOM 397 CB LEU B 26 6.742 9.243 -1.317 1.00 0.00 C ATOM 398 CG LEU B 26 6.726 10.254 -0.171 1.00 0.00 C ATOM 399 CD1 LEU B 26 7.506 11.503 -0.549 1.00 0.00 C ATOM 400 CD2 LEU B 26 5.295 10.611 0.204 1.00 0.00 C ATOM 0 H LEU B 26 7.631 6.675 -2.350 1.00 0.00 H new ATOM 0 HA LEU B 26 6.610 7.728 0.198 1.00 0.00 H new ATOM 0 HB2 LEU B 26 7.673 9.360 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU B 26 5.930 9.482 -2.003 1.00 0.00 H new ATOM 0 HG LEU B 26 7.206 9.799 0.695 1.00 0.00 H new ATOM 0 HD11 LEU B 26 7.483 12.211 0.280 1.00 0.00 H new ATOM 0 HD12 LEU B 26 8.539 11.234 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU B 26 7.056 11.961 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU B 26 5.302 11.332 1.022 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.790 11.046 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU B 26 4.766 9.711 0.518 1.00 0.00 H new ATOM 412 N ASN B 27 4.705 6.297 -0.625 1.00 0.00 N ATOM 413 CA ASN B 27 3.445 5.669 -1.004 1.00 0.00 C ATOM 414 C ASN B 27 2.288 6.229 -0.182 1.00 0.00 C ATOM 415 O ASN B 27 2.266 6.106 1.042 1.00 0.00 O ATOM 416 CB ASN B 27 3.534 4.151 -0.828 1.00 0.00 C ATOM 417 CG ASN B 27 2.231 3.444 -1.156 1.00 0.00 C ATOM 418 OD1 ASN B 27 1.225 4.082 -1.464 1.00 0.00 O ATOM 419 ND2 ASN B 27 2.245 2.117 -1.088 1.00 0.00 N ATOM 0 H ASN B 27 5.082 5.983 0.269 1.00 0.00 H new ATOM 0 HA ASN B 27 3.256 5.892 -2.054 1.00 0.00 H new ATOM 0 HB2 ASN B 27 4.325 3.761 -1.469 1.00 0.00 H new ATOM 0 HB3 ASN B 27 3.816 3.925 0.200 1.00 0.00 H new ATOM 0 HD21 ASN B 27 1.399 1.587 -1.296 1.00 0.00 H new ATOM 0 HD22 ASN B 27 3.102 1.629 -0.828 1.00 0.00 H new ATOM 426 N CYS B 28 1.325 6.835 -0.868 1.00 0.00 N ATOM 427 CA CYS B 28 0.157 7.407 -0.208 1.00 0.00 C ATOM 428 C CYS B 28 -1.102 6.650 -0.611 1.00 0.00 C ATOM 429 O CYS B 28 -1.554 6.739 -1.753 1.00 0.00 O ATOM 430 CB CYS B 28 0.015 8.888 -0.564 1.00 0.00 C ATOM 431 SG CYS B 28 1.542 9.840 -0.385 1.00 0.00 S ATOM 0 H CYS B 28 1.330 6.943 -1.882 1.00 0.00 H new ATOM 0 HA CYS B 28 0.291 7.317 0.870 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -0.334 8.971 -1.593 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -0.753 9.331 0.070 1.00 0.00 H new ATOM 0 HG CYS B 28 2.018 9.676 0.814 1.00 0.00 H new ATOM 437 N TYR B 29 -1.658 5.893 0.329 1.00 0.00 N ATOM 438 CA TYR B 29 -2.856 5.108 0.061 1.00 0.00 C ATOM 439 C TYR B 29 -4.091 5.733 0.704 1.00 0.00 C ATOM 440 O TYR B 29 -4.127 5.968 1.911 1.00 0.00 O ATOM 441 CB TYR B 29 -2.675 3.678 0.572 1.00 0.00 C ATOM 442 CG TYR B 29 -3.858 2.780 0.285 1.00 0.00 C ATOM 443 CD1 TYR B 29 -4.068 2.265 -0.988 1.00 0.00 C ATOM 444 CD2 TYR B 29 -4.763 2.450 1.284 1.00 0.00 C ATOM 445 CE1 TYR B 29 -5.147 1.446 -1.256 1.00 0.00 C ATOM 446 CE2 TYR B 29 -5.846 1.632 1.024 1.00 0.00 C ATOM 447 CZ TYR B 29 -6.032 1.133 -0.247 1.00 0.00 C ATOM 448 OH TYR B 29 -7.108 0.319 -0.512 1.00 0.00 O ATOM 0 H TYR B 29 -1.299 5.807 1.280 1.00 0.00 H new ATOM 0 HA TYR B 29 -3.007 5.093 -1.018 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -1.783 3.248 0.116 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -2.502 3.704 1.648 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -3.376 2.509 -1.781 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -4.618 2.839 2.281 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -5.297 1.053 -2.251 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.542 1.385 1.812 1.00 0.00 H new ATOM 0 HH TYR B 29 -7.365 -0.160 0.304 1.00 0.00 H new ATOM 458 N VAL B 30 -5.108 5.981 -0.116 1.00 0.00 N ATOM 459 CA VAL B 30 -6.358 6.560 0.359 1.00 0.00 C ATOM 460 C VAL B 30 -7.536 5.690 -0.063 1.00 0.00 C ATOM 461 O VAL B 30 -8.260 6.015 -1.006 1.00 0.00 O ATOM 462 CB VAL B 30 -6.565 7.988 -0.179 1.00 0.00 C ATOM 463 CG1 VAL B 30 -7.745 8.654 0.512 1.00 0.00 C ATOM 464 CG2 VAL B 30 -5.299 8.815 -0.003 1.00 0.00 C ATOM 0 H VAL B 30 -5.089 5.788 -1.117 1.00 0.00 H new ATOM 0 HA VAL B 30 -6.301 6.607 1.447 1.00 0.00 H new ATOM 0 HB VAL B 30 -6.785 7.926 -1.245 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -7.875 9.662 0.119 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -8.649 8.073 0.329 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -7.557 8.705 1.585 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -5.465 9.821 -0.389 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -5.044 8.870 1.055 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -4.480 8.347 -0.549 1.00 0.00 H new ATOM 474 N SER B 31 -7.709 4.572 0.638 1.00 0.00 N ATOM 475 CA SER B 31 -8.784 3.631 0.339 1.00 0.00 C ATOM 476 C SER B 31 -10.151 4.307 0.380 1.00 0.00 C ATOM 477 O SER B 31 -10.269 5.477 0.746 1.00 0.00 O ATOM 478 CB SER B 31 -8.741 2.456 1.323 1.00 0.00 C ATOM 479 OG SER B 31 -10.020 2.194 1.878 1.00 0.00 O ATOM 0 H SER B 31 -7.115 4.295 1.420 1.00 0.00 H new ATOM 0 HA SER B 31 -8.631 3.258 -0.674 1.00 0.00 H new ATOM 0 HB2 SER B 31 -8.376 1.565 0.812 1.00 0.00 H new ATOM 0 HB3 SER B 31 -8.034 2.676 2.123 1.00 0.00 H new ATOM 0 HG SER B 31 -10.298 1.284 1.644 1.00 0.00 H new ATOM 485 N GLY B 32 -11.179 3.556 -0.001 1.00 0.00 N ATOM 486 CA GLY B 32 -12.530 4.083 -0.009 1.00 0.00 C ATOM 487 C GLY B 32 -13.338 3.575 -1.188 1.00 0.00 C ATOM 488 O GLY B 32 -14.028 4.346 -1.853 1.00 0.00 O ATOM 0 H GLY B 32 -11.099 2.586 -0.306 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -13.031 3.806 0.919 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -12.493 5.172 -0.039 1.00 0.00 H new ATOM 492 N PHE B 33 -13.249 2.272 -1.449 1.00 0.00 N ATOM 493 CA PHE B 33 -13.977 1.666 -2.559 1.00 0.00 C ATOM 494 C PHE B 33 -14.372 0.225 -2.242 1.00 0.00 C ATOM 495 O PHE B 33 -14.124 -0.272 -1.143 1.00 0.00 O ATOM 496 CB PHE B 33 -13.128 1.707 -3.833 1.00 0.00 C ATOM 497 CG PHE B 33 -11.698 1.293 -3.622 1.00 0.00 C ATOM 498 CD1 PHE B 33 -11.390 0.029 -3.145 1.00 0.00 C ATOM 499 CD2 PHE B 33 -10.662 2.169 -3.904 1.00 0.00 C ATOM 500 CE1 PHE B 33 -10.077 -0.354 -2.953 1.00 0.00 C ATOM 501 CE2 PHE B 33 -9.345 1.791 -3.714 1.00 0.00 C ATOM 502 CZ PHE B 33 -9.053 0.528 -3.238 1.00 0.00 C ATOM 0 H PHE B 33 -12.682 1.619 -0.908 1.00 0.00 H new ATOM 0 HA PHE B 33 -14.889 2.242 -2.716 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -13.579 1.054 -4.580 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -13.148 2.718 -4.239 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -12.186 -0.665 -2.921 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -10.885 3.158 -4.276 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -9.851 -1.342 -2.580 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -8.546 2.483 -3.938 1.00 0.00 H new ATOM 0 HZ PHE B 33 -8.026 0.230 -3.089 1.00 0.00 H new ATOM 512 N HIS B 34 -14.989 -0.438 -3.217 1.00 0.00 N ATOM 513 CA HIS B 34 -15.425 -1.821 -3.054 1.00 0.00 C ATOM 514 C HIS B 34 -14.297 -2.795 -3.405 1.00 0.00 C ATOM 515 O HIS B 34 -13.205 -2.372 -3.783 1.00 0.00 O ATOM 516 CB HIS B 34 -16.654 -2.082 -3.930 1.00 0.00 C ATOM 517 CG HIS B 34 -17.894 -2.380 -3.143 1.00 0.00 C ATOM 518 ND1 HIS B 34 -18.061 -2.677 -1.831 1.00 0.00 N flip ATOM 519 CD2 HIS B 34 -19.156 -2.390 -3.699 1.00 0.00 C flip ATOM 520 CE1 HIS B 34 -19.406 -2.858 -1.624 1.00 0.00 C flip ATOM 521 NE2 HIS B 34 -20.045 -2.679 -2.764 1.00 0.00 N flip ATOM 0 H HIS B 34 -15.199 -0.037 -4.131 1.00 0.00 H new ATOM 0 HA HIS B 34 -15.692 -1.983 -2.010 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -16.833 -1.211 -4.560 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -16.445 -2.919 -4.596 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -19.383 -2.193 -4.736 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -19.867 -3.107 -0.680 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -21.053 -2.751 -2.901 1.00 0.00 H new ATOM 530 N PRO B 35 -14.540 -4.117 -3.278 1.00 0.00 N ATOM 531 CA PRO B 35 -13.533 -5.141 -3.576 1.00 0.00 C ATOM 532 C PRO B 35 -12.688 -4.819 -4.806 1.00 0.00 C ATOM 533 O PRO B 35 -13.214 -4.449 -5.857 1.00 0.00 O ATOM 534 CB PRO B 35 -14.383 -6.383 -3.818 1.00 0.00 C ATOM 535 CG PRO B 35 -15.553 -6.210 -2.914 1.00 0.00 C ATOM 536 CD PRO B 35 -15.810 -4.724 -2.827 1.00 0.00 C ATOM 0 HA PRO B 35 -12.804 -5.241 -2.772 1.00 0.00 H new ATOM 0 HB2 PRO B 35 -14.693 -6.456 -4.860 1.00 0.00 H new ATOM 0 HB3 PRO B 35 -13.832 -7.294 -3.585 1.00 0.00 H new ATOM 0 HG2 PRO B 35 -16.426 -6.733 -3.305 1.00 0.00 H new ATOM 0 HG3 PRO B 35 -15.347 -6.627 -1.928 1.00 0.00 H new ATOM 0 HD2 PRO B 35 -16.644 -4.425 -3.462 1.00 0.00 H new ATOM 0 HD3 PRO B 35 -16.059 -4.420 -1.810 1.00 0.00 H new ATOM 544 N SER B 36 -11.374 -4.963 -4.662 1.00 0.00 N ATOM 545 CA SER B 36 -10.442 -4.692 -5.751 1.00 0.00 C ATOM 546 C SER B 36 -9.115 -5.407 -5.512 1.00 0.00 C ATOM 547 O SER B 36 -8.727 -5.646 -4.369 1.00 0.00 O ATOM 548 CB SER B 36 -10.208 -3.187 -5.885 1.00 0.00 C ATOM 549 OG SER B 36 -10.071 -2.577 -4.613 1.00 0.00 O ATOM 0 H SER B 36 -10.929 -5.268 -3.796 1.00 0.00 H new ATOM 0 HA SER B 36 -10.878 -5.067 -6.677 1.00 0.00 H new ATOM 0 HB2 SER B 36 -9.311 -3.007 -6.477 1.00 0.00 H new ATOM 0 HB3 SER B 36 -11.041 -2.733 -6.422 1.00 0.00 H new ATOM 0 HG SER B 36 -10.272 -1.621 -4.685 1.00 0.00 H new ATOM 555 N ASP B 37 -8.423 -5.749 -6.596 1.00 0.00 N ATOM 556 CA ASP B 37 -7.142 -6.439 -6.493 1.00 0.00 C ATOM 557 C ASP B 37 -5.980 -5.479 -6.730 1.00 0.00 C ATOM 558 O ASP B 37 -5.731 -5.055 -7.858 1.00 0.00 O ATOM 559 CB ASP B 37 -7.078 -7.593 -7.494 1.00 0.00 C ATOM 560 CG ASP B 37 -6.392 -8.818 -6.920 1.00 0.00 C ATOM 561 OD1 ASP B 37 -5.218 -8.704 -6.512 1.00 0.00 O ATOM 562 OD2 ASP B 37 -7.030 -9.891 -6.880 1.00 0.00 O ATOM 0 H ASP B 37 -8.727 -5.560 -7.551 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.056 -6.838 -5.482 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -8.089 -7.858 -7.804 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -6.545 -7.267 -8.387 1.00 0.00 H new ATOM 567 N ILE B 38 -5.270 -5.144 -5.657 1.00 0.00 N ATOM 568 CA ILE B 38 -4.131 -4.239 -5.742 1.00 0.00 C ATOM 569 C ILE B 38 -2.910 -4.834 -5.048 1.00 0.00 C ATOM 570 O ILE B 38 -2.998 -5.300 -3.912 1.00 0.00 O ATOM 571 CB ILE B 38 -4.451 -2.872 -5.107 1.00 0.00 C ATOM 572 CG1 ILE B 38 -5.790 -2.342 -5.629 1.00 0.00 C ATOM 573 CG2 ILE B 38 -3.332 -1.880 -5.388 1.00 0.00 C ATOM 574 CD1 ILE B 38 -6.852 -2.224 -4.556 1.00 0.00 C ATOM 0 H ILE B 38 -5.465 -5.487 -4.716 1.00 0.00 H new ATOM 0 HA ILE B 38 -3.915 -4.097 -6.801 1.00 0.00 H new ATOM 0 HB ILE B 38 -4.530 -3.000 -4.027 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -5.633 -1.363 -6.083 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -6.152 -3.004 -6.416 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -3.574 -0.920 -4.932 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -2.399 -2.256 -4.968 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -3.220 -1.753 -6.465 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -7.773 -1.843 -4.996 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -7.038 -3.205 -4.118 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -6.510 -1.539 -3.780 1.00 0.00 H new ATOM 586 N GLU B 39 -1.773 -4.820 -5.736 1.00 0.00 N ATOM 587 CA GLU B 39 -0.541 -5.366 -5.177 1.00 0.00 C ATOM 588 C GLU B 39 0.620 -4.388 -5.332 1.00 0.00 C ATOM 589 O GLU B 39 0.881 -3.880 -6.422 1.00 0.00 O ATOM 590 CB GLU B 39 -0.192 -6.695 -5.849 1.00 0.00 C ATOM 591 CG GLU B 39 0.704 -7.586 -5.004 1.00 0.00 C ATOM 592 CD GLU B 39 -0.081 -8.547 -4.134 1.00 0.00 C ATOM 593 OE1 GLU B 39 -1.160 -9.000 -4.574 1.00 0.00 O ATOM 594 OE2 GLU B 39 0.380 -8.846 -3.012 1.00 0.00 O ATOM 0 H GLU B 39 -1.679 -4.438 -6.677 1.00 0.00 H new ATOM 0 HA GLU B 39 -0.707 -5.534 -4.113 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.114 -7.231 -6.076 1.00 0.00 H new ATOM 0 HB3 GLU B 39 0.302 -6.494 -6.799 1.00 0.00 H new ATOM 0 HG2 GLU B 39 1.367 -8.153 -5.658 1.00 0.00 H new ATOM 0 HG3 GLU B 39 1.336 -6.963 -4.371 1.00 0.00 H new ATOM 601 N VAL B 40 1.317 -4.143 -4.228 1.00 0.00 N ATOM 602 CA VAL B 40 2.461 -3.238 -4.220 1.00 0.00 C ATOM 603 C VAL B 40 3.683 -3.944 -3.647 1.00 0.00 C ATOM 604 O VAL B 40 3.697 -4.318 -2.473 1.00 0.00 O ATOM 605 CB VAL B 40 2.167 -1.975 -3.386 1.00 0.00 C ATOM 606 CG1 VAL B 40 3.396 -1.080 -3.300 1.00 0.00 C ATOM 607 CG2 VAL B 40 0.987 -1.215 -3.970 1.00 0.00 C ATOM 0 H VAL B 40 1.108 -4.561 -3.322 1.00 0.00 H new ATOM 0 HA VAL B 40 2.656 -2.939 -5.250 1.00 0.00 H new ATOM 0 HB VAL B 40 1.909 -2.288 -2.374 1.00 0.00 H new ATOM 0 HG11 VAL B 40 3.162 -0.196 -2.706 1.00 0.00 H new ATOM 0 HG12 VAL B 40 4.213 -1.627 -2.829 1.00 0.00 H new ATOM 0 HG13 VAL B 40 3.695 -0.775 -4.303 1.00 0.00 H new ATOM 0 HG21 VAL B 40 0.793 -0.326 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL B 40 1.216 -0.918 -4.993 1.00 0.00 H new ATOM 0 HG23 VAL B 40 0.105 -1.855 -3.967 1.00 0.00 H new ATOM 617 N ASP B 41 4.705 -4.141 -4.474 1.00 0.00 N ATOM 618 CA ASP B 41 5.908 -4.822 -4.011 1.00 0.00 C ATOM 619 C ASP B 41 7.185 -4.132 -4.482 1.00 0.00 C ATOM 620 O ASP B 41 7.587 -4.266 -5.637 1.00 0.00 O ATOM 621 CB ASP B 41 5.903 -6.276 -4.487 1.00 0.00 C ATOM 622 CG ASP B 41 5.610 -6.398 -5.970 1.00 0.00 C ATOM 623 OD1 ASP B 41 6.552 -6.244 -6.776 1.00 0.00 O ATOM 624 OD2 ASP B 41 4.439 -6.649 -6.324 1.00 0.00 O ATOM 0 H ASP B 41 4.726 -3.845 -5.450 1.00 0.00 H new ATOM 0 HA ASP B 41 5.898 -4.786 -2.922 1.00 0.00 H new ATOM 0 HB2 ASP B 41 6.871 -6.729 -4.272 1.00 0.00 H new ATOM 0 HB3 ASP B 41 5.157 -6.837 -3.925 1.00 0.00 H new ATOM 629 N LEU B 42 7.837 -3.421 -3.565 1.00 0.00 N ATOM 630 CA LEU B 42 9.089 -2.739 -3.873 1.00 0.00 C ATOM 631 C LEU B 42 10.262 -3.685 -3.634 1.00 0.00 C ATOM 632 O LEU B 42 11.150 -3.398 -2.828 1.00 0.00 O ATOM 633 CB LEU B 42 9.259 -1.480 -3.013 1.00 0.00 C ATOM 634 CG LEU B 42 8.083 -0.493 -3.013 1.00 0.00 C ATOM 635 CD1 LEU B 42 7.667 -0.137 -4.431 1.00 0.00 C ATOM 636 CD2 LEU B 42 6.905 -1.059 -2.231 1.00 0.00 C ATOM 0 H LEU B 42 7.518 -3.303 -2.603 1.00 0.00 H new ATOM 0 HA LEU B 42 9.065 -2.438 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU B 42 9.445 -1.790 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU B 42 10.150 -0.951 -3.353 1.00 0.00 H new ATOM 0 HG LEU B 42 8.413 0.422 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU B 42 6.832 0.563 -4.400 1.00 0.00 H new ATOM 0 HD12 LEU B 42 8.507 0.322 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU B 42 7.363 -1.041 -4.959 1.00 0.00 H new ATOM 0 HD21 LEU B 42 6.083 -0.344 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU B 42 6.580 -1.994 -2.688 1.00 0.00 H new ATOM 0 HD23 LEU B 42 7.208 -1.245 -1.201 1.00 0.00 H new ATOM 648 N LEU B 43 10.246 -4.821 -4.333 1.00 0.00 N ATOM 649 CA LEU B 43 11.295 -5.832 -4.200 1.00 0.00 C ATOM 650 C LEU B 43 10.907 -7.105 -4.951 1.00 0.00 C ATOM 651 O LEU B 43 10.008 -7.089 -5.791 1.00 0.00 O ATOM 652 CB LEU B 43 11.543 -6.161 -2.722 1.00 0.00 C ATOM 653 CG LEU B 43 10.360 -6.807 -1.998 1.00 0.00 C ATOM 654 CD1 LEU B 43 10.845 -7.857 -1.010 1.00 0.00 C ATOM 655 CD2 LEU B 43 9.528 -5.749 -1.289 1.00 0.00 C ATOM 0 H LEU B 43 9.514 -5.064 -5.000 1.00 0.00 H new ATOM 0 HA LEU B 43 12.211 -5.429 -4.631 1.00 0.00 H new ATOM 0 HB2 LEU B 43 12.401 -6.829 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU B 43 11.811 -5.242 -2.201 1.00 0.00 H new ATOM 0 HG LEU B 43 9.731 -7.300 -2.739 1.00 0.00 H new ATOM 0 HD11 LEU B 43 9.989 -8.305 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU B 43 11.397 -8.631 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU B 43 11.497 -7.389 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU B 43 8.691 -6.226 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU B 43 10.148 -5.227 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU B 43 9.149 -5.035 -2.020 1.00 0.00 H new ATOM 667 N LYS B 44 11.586 -8.208 -4.641 1.00 0.00 N ATOM 668 CA LYS B 44 11.306 -9.487 -5.285 1.00 0.00 C ATOM 669 C LYS B 44 9.851 -9.894 -5.075 1.00 0.00 C ATOM 670 O LYS B 44 9.558 -10.524 -4.036 1.00 0.00 O ATOM 671 CB LYS B 44 12.234 -10.570 -4.733 1.00 0.00 C ATOM 672 CG LYS B 44 12.525 -11.687 -5.723 1.00 0.00 C ATOM 673 CD LYS B 44 13.936 -11.585 -6.281 1.00 0.00 C ATOM 674 CE LYS B 44 14.976 -11.969 -5.240 1.00 0.00 C ATOM 675 NZ LYS B 44 15.550 -13.318 -5.501 1.00 0.00 N ATOM 676 OXT LYS B 44 9.016 -9.580 -5.949 1.00 0.00 O ATOM 0 H LYS B 44 12.334 -8.240 -3.948 1.00 0.00 H new ATOM 0 HA LYS B 44 11.483 -9.375 -6.355 1.00 0.00 H new ATOM 0 HB2 LYS B 44 13.175 -10.110 -4.430 1.00 0.00 H new ATOM 0 HB3 LYS B 44 11.785 -10.998 -3.837 1.00 0.00 H new ATOM 0 HG2 LYS B 44 12.396 -12.652 -5.233 1.00 0.00 H new ATOM 0 HG3 LYS B 44 11.806 -11.646 -6.541 1.00 0.00 H new ATOM 0 HD2 LYS B 44 14.032 -12.235 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS B 44 14.121 -10.567 -6.623 1.00 0.00 H new ATOM 0 HE2 LYS B 44 15.776 -11.229 -5.236 1.00 0.00 H new ATOM 0 HE3 LYS B 44 14.521 -11.953 -4.249 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 16.255 -13.543 -4.770 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 14.791 -14.028 -5.480 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 16.006 -13.326 -6.436 1.00 0.00 H new TER 690 LYS B 44 ATOM 691 N SER C 45 14.445 9.996 5.673 1.00 0.00 N ATOM 692 CA SER C 45 13.099 9.583 5.195 1.00 0.00 C ATOM 693 C SER C 45 13.202 8.678 3.972 1.00 0.00 C ATOM 694 O SER C 45 13.164 9.147 2.835 1.00 0.00 O ATOM 695 CB SER C 45 12.296 10.840 4.855 1.00 0.00 C ATOM 696 OG SER C 45 12.378 11.797 5.896 1.00 0.00 O ATOM 0 HA SER C 45 12.598 9.017 5.981 1.00 0.00 H new ATOM 0 HB2 SER C 45 12.670 11.274 3.928 1.00 0.00 H new ATOM 0 HB3 SER C 45 11.253 10.573 4.684 1.00 0.00 H new ATOM 0 HG SER C 45 13.270 11.764 6.301 1.00 0.00 H new ATOM 704 N ASN C 46 13.333 7.378 4.213 1.00 0.00 N ATOM 705 CA ASN C 46 13.441 6.409 3.130 1.00 0.00 C ATOM 706 C ASN C 46 12.104 5.720 2.878 1.00 0.00 C ATOM 707 O ASN C 46 11.570 5.769 1.770 1.00 0.00 O ATOM 708 CB ASN C 46 14.513 5.366 3.455 1.00 0.00 C ATOM 709 CG ASN C 46 15.904 5.964 3.505 1.00 0.00 C ATOM 710 OD1 ASN C 46 16.158 6.792 4.512 1.00 0.00 O flip ATOM 711 ND2 ASN C 46 16.744 5.685 2.649 1.00 0.00 N flip ATOM 0 H ASN C 46 13.367 6.972 5.148 1.00 0.00 H new ATOM 0 HA ASN C 46 13.728 6.945 2.225 1.00 0.00 H new ATOM 0 HB2 ASN C 46 14.285 4.902 4.415 1.00 0.00 H new ATOM 0 HB3 ASN C 46 14.487 4.576 2.704 1.00 0.00 H new ATOM 0 HD21 ASN C 46 16.507 5.044 1.892 1.00 0.00 H new ATOM 0 HD22 ASN C 46 17.677 6.095 2.697 1.00 0.00 H new ATOM 718 N PHE C 47 11.566 5.082 3.913 1.00 0.00 N ATOM 719 CA PHE C 47 10.289 4.386 3.800 1.00 0.00 C ATOM 720 C PHE C 47 9.149 5.252 4.331 1.00 0.00 C ATOM 721 O PHE C 47 8.807 5.188 5.511 1.00 0.00 O ATOM 722 CB PHE C 47 10.341 3.055 4.559 1.00 0.00 C ATOM 723 CG PHE C 47 8.995 2.415 4.770 1.00 0.00 C ATOM 724 CD1 PHE C 47 8.386 1.693 3.755 1.00 0.00 C ATOM 725 CD2 PHE C 47 8.341 2.538 5.985 1.00 0.00 C ATOM 726 CE1 PHE C 47 7.151 1.104 3.951 1.00 0.00 C ATOM 727 CE2 PHE C 47 7.106 1.952 6.185 1.00 0.00 C ATOM 728 CZ PHE C 47 6.511 1.234 5.167 1.00 0.00 C ATOM 0 H PHE C 47 11.994 5.033 4.838 1.00 0.00 H new ATOM 0 HA PHE C 47 10.102 4.184 2.745 1.00 0.00 H new ATOM 0 HB2 PHE C 47 10.979 2.362 4.011 1.00 0.00 H new ATOM 0 HB3 PHE C 47 10.809 3.220 5.529 1.00 0.00 H new ATOM 0 HD1 PHE C 47 8.882 1.590 2.801 1.00 0.00 H new ATOM 0 HD2 PHE C 47 8.802 3.098 6.785 1.00 0.00 H new ATOM 0 HE1 PHE C 47 6.687 0.543 3.153 1.00 0.00 H new ATOM 0 HE2 PHE C 47 6.606 2.056 7.137 1.00 0.00 H new ATOM 0 HZ PHE C 47 5.546 0.775 5.322 1.00 0.00 H new ATOM 738 N LEU C 48 8.563 6.054 3.450 1.00 0.00 N ATOM 739 CA LEU C 48 7.458 6.925 3.829 1.00 0.00 C ATOM 740 C LEU C 48 6.126 6.333 3.374 1.00 0.00 C ATOM 741 O LEU C 48 5.544 6.772 2.381 1.00 0.00 O ATOM 742 CB LEU C 48 7.652 8.322 3.233 1.00 0.00 C ATOM 743 CG LEU C 48 7.392 9.478 4.202 1.00 0.00 C ATOM 744 CD1 LEU C 48 8.704 10.023 4.750 1.00 0.00 C ATOM 745 CD2 LEU C 48 6.601 10.583 3.517 1.00 0.00 C ATOM 0 H LEU C 48 8.835 6.119 2.469 1.00 0.00 H new ATOM 0 HA LEU C 48 7.443 7.009 4.916 1.00 0.00 H new ATOM 0 HB2 LEU C 48 8.673 8.403 2.859 1.00 0.00 H new ATOM 0 HB3 LEU C 48 6.989 8.430 2.375 1.00 0.00 H new ATOM 0 HG LEU C 48 6.802 9.099 5.036 1.00 0.00 H new ATOM 0 HD11 LEU C 48 8.498 10.844 5.437 1.00 0.00 H new ATOM 0 HD12 LEU C 48 9.234 9.231 5.279 1.00 0.00 H new ATOM 0 HD13 LEU C 48 9.320 10.384 3.927 1.00 0.00 H new ATOM 0 HD21 LEU C 48 6.426 11.396 4.222 1.00 0.00 H new ATOM 0 HD22 LEU C 48 7.165 10.958 2.663 1.00 0.00 H new ATOM 0 HD23 LEU C 48 5.645 10.187 3.175 1.00 0.00 H new ATOM 757 N ASN C 49 5.650 5.333 4.109 1.00 0.00 N ATOM 758 CA ASN C 49 4.387 4.679 3.786 1.00 0.00 C ATOM 759 C ASN C 49 3.253 5.256 4.629 1.00 0.00 C ATOM 760 O ASN C 49 3.414 5.481 5.828 1.00 0.00 O ATOM 761 CB ASN C 49 4.496 3.171 4.020 1.00 0.00 C ATOM 762 CG ASN C 49 3.285 2.418 3.504 1.00 0.00 C ATOM 763 OD1 ASN C 49 2.174 2.947 3.479 1.00 0.00 O ATOM 764 ND2 ASN C 49 3.495 1.174 3.089 1.00 0.00 N ATOM 0 H ASN C 49 6.120 4.958 4.933 1.00 0.00 H new ATOM 0 HA ASN C 49 4.167 4.860 2.734 1.00 0.00 H new ATOM 0 HB2 ASN C 49 5.392 2.793 3.528 1.00 0.00 H new ATOM 0 HB3 ASN C 49 4.613 2.979 5.087 1.00 0.00 H new ATOM 0 HD21 ASN C 49 2.718 0.618 2.732 1.00 0.00 H new ATOM 0 HD22 ASN C 49 4.433 0.775 3.128 1.00 0.00 H new ATOM 771 N CYS C 50 2.110 5.501 3.995 1.00 0.00 N ATOM 772 CA CYS C 50 0.959 6.060 4.698 1.00 0.00 C ATOM 773 C CYS C 50 -0.354 5.610 4.063 1.00 0.00 C ATOM 774 O CYS C 50 -0.591 5.836 2.876 1.00 0.00 O ATOM 775 CB CYS C 50 1.036 7.588 4.706 1.00 0.00 C ATOM 776 SG CYS C 50 1.374 8.320 3.088 1.00 0.00 S ATOM 0 H CYS C 50 1.956 5.323 3.003 1.00 0.00 H new ATOM 0 HA CYS C 50 0.984 5.691 5.723 1.00 0.00 H new ATOM 0 HB2 CYS C 50 0.094 7.986 5.083 1.00 0.00 H new ATOM 0 HB3 CYS C 50 1.815 7.898 5.403 1.00 0.00 H new ATOM 0 HG CYS C 50 1.783 7.396 2.270 1.00 0.00 H new ATOM 782 N TYR C 51 -1.208 4.982 4.867 1.00 0.00 N ATOM 783 CA TYR C 51 -2.505 4.510 4.391 1.00 0.00 C ATOM 784 C TYR C 51 -3.633 5.136 5.208 1.00 0.00 C ATOM 785 O TYR C 51 -3.489 5.354 6.411 1.00 0.00 O ATOM 786 CB TYR C 51 -2.576 2.979 4.455 1.00 0.00 C ATOM 787 CG TYR C 51 -3.079 2.432 5.775 1.00 0.00 C ATOM 788 CD1 TYR C 51 -2.215 2.250 6.847 1.00 0.00 C ATOM 789 CD2 TYR C 51 -4.416 2.099 5.947 1.00 0.00 C ATOM 790 CE1 TYR C 51 -2.670 1.751 8.052 1.00 0.00 C ATOM 791 CE2 TYR C 51 -4.879 1.600 7.149 1.00 0.00 C ATOM 792 CZ TYR C 51 -4.001 1.427 8.198 1.00 0.00 C ATOM 793 OH TYR C 51 -4.457 0.929 9.398 1.00 0.00 O ATOM 0 H TYR C 51 -1.025 4.788 5.852 1.00 0.00 H new ATOM 0 HA TYR C 51 -2.624 4.815 3.351 1.00 0.00 H new ATOM 0 HB2 TYR C 51 -3.227 2.624 3.656 1.00 0.00 H new ATOM 0 HB3 TYR C 51 -1.583 2.573 4.262 1.00 0.00 H new ATOM 0 HD1 TYR C 51 -1.171 2.503 6.737 1.00 0.00 H new ATOM 0 HD2 TYR C 51 -5.106 2.232 5.127 1.00 0.00 H new ATOM 0 HE1 TYR C 51 -1.985 1.615 8.876 1.00 0.00 H new ATOM 0 HE2 TYR C 51 -5.922 1.347 7.266 1.00 0.00 H new ATOM 0 HH TYR C 51 -4.978 1.618 9.861 1.00 0.00 H new ATOM 803 N VAL C 52 -4.750 5.429 4.550 1.00 0.00 N ATOM 804 CA VAL C 52 -5.888 6.039 5.226 1.00 0.00 C ATOM 805 C VAL C 52 -7.215 5.475 4.722 1.00 0.00 C ATOM 806 O VAL C 52 -7.294 4.931 3.619 1.00 0.00 O ATOM 807 CB VAL C 52 -5.886 7.570 5.035 1.00 0.00 C ATOM 808 CG1 VAL C 52 -6.026 7.927 3.562 1.00 0.00 C ATOM 809 CG2 VAL C 52 -6.993 8.220 5.853 1.00 0.00 C ATOM 0 H VAL C 52 -4.891 5.255 3.555 1.00 0.00 H new ATOM 0 HA VAL C 52 -5.788 5.803 6.285 1.00 0.00 H new ATOM 0 HB VAL C 52 -4.931 7.955 5.392 1.00 0.00 H new ATOM 0 HG11 VAL C 52 -6.022 9.011 3.448 1.00 0.00 H new ATOM 0 HG12 VAL C 52 -5.193 7.501 3.004 1.00 0.00 H new ATOM 0 HG13 VAL C 52 -6.963 7.525 3.178 1.00 0.00 H new ATOM 0 HG21 VAL C 52 -6.971 9.299 5.702 1.00 0.00 H new ATOM 0 HG22 VAL C 52 -7.959 7.828 5.534 1.00 0.00 H new ATOM 0 HG23 VAL C 52 -6.843 7.999 6.910 1.00 0.00 H new ATOM 819 N SER C 53 -8.255 5.623 5.544 1.00 0.00 N ATOM 820 CA SER C 53 -9.599 5.147 5.206 1.00 0.00 C ATOM 821 C SER C 53 -9.756 3.657 5.501 1.00 0.00 C ATOM 822 O SER C 53 -10.457 3.273 6.437 1.00 0.00 O ATOM 823 CB SER C 53 -9.925 5.428 3.735 1.00 0.00 C ATOM 824 OG SER C 53 -11.325 5.443 3.516 1.00 0.00 O ATOM 0 H SER C 53 -8.192 6.073 6.457 1.00 0.00 H new ATOM 0 HA SER C 53 -10.303 5.694 5.833 1.00 0.00 H new ATOM 0 HB2 SER C 53 -9.498 6.387 3.441 1.00 0.00 H new ATOM 0 HB3 SER C 53 -9.464 4.667 3.105 1.00 0.00 H new ATOM 0 HG SER C 53 -11.505 5.493 2.554 1.00 0.00 H new ATOM 830 N GLY C 54 -9.105 2.822 4.699 1.00 0.00 N ATOM 831 CA GLY C 54 -9.195 1.386 4.896 1.00 0.00 C ATOM 832 C GLY C 54 -10.520 0.818 4.426 1.00 0.00 C ATOM 833 O GLY C 54 -11.335 1.528 3.838 1.00 0.00 O ATOM 0 H GLY C 54 -8.518 3.112 3.917 1.00 0.00 H new ATOM 0 HA2 GLY C 54 -8.383 0.897 4.359 1.00 0.00 H new ATOM 0 HA3 GLY C 54 -9.060 1.158 5.953 1.00 0.00 H new ATOM 837 N PHE C 55 -10.734 -0.469 4.682 1.00 0.00 N ATOM 838 CA PHE C 55 -11.967 -1.134 4.277 1.00 0.00 C ATOM 839 C PHE C 55 -12.024 -2.558 4.817 1.00 0.00 C ATOM 840 O PHE C 55 -11.121 -3.000 5.526 1.00 0.00 O ATOM 841 CB PHE C 55 -12.075 -1.160 2.750 1.00 0.00 C ATOM 842 CG PHE C 55 -10.779 -1.476 2.051 1.00 0.00 C ATOM 843 CD1 PHE C 55 -9.867 -2.368 2.601 1.00 0.00 C ATOM 844 CD2 PHE C 55 -10.471 -0.878 0.839 1.00 0.00 C ATOM 845 CE1 PHE C 55 -8.680 -2.655 1.958 1.00 0.00 C ATOM 846 CE2 PHE C 55 -9.284 -1.163 0.191 1.00 0.00 C ATOM 847 CZ PHE C 55 -8.388 -2.052 0.751 1.00 0.00 C ATOM 0 H PHE C 55 -10.070 -1.072 5.168 1.00 0.00 H new ATOM 0 HA PHE C 55 -12.804 -0.572 4.692 1.00 0.00 H new ATOM 0 HB2 PHE C 55 -12.822 -1.900 2.461 1.00 0.00 H new ATOM 0 HB3 PHE C 55 -12.436 -0.191 2.405 1.00 0.00 H new ATOM 0 HD1 PHE C 55 -10.090 -2.843 3.545 1.00 0.00 H new ATOM 0 HD2 PHE C 55 -11.167 -0.181 0.396 1.00 0.00 H new ATOM 0 HE1 PHE C 55 -7.981 -3.350 2.398 1.00 0.00 H new ATOM 0 HE2 PHE C 55 -9.057 -0.690 -0.753 1.00 0.00 H new ATOM 0 HZ PHE C 55 -7.460 -2.275 0.245 1.00 0.00 H new ATOM 857 N HIS C 56 -13.084 -3.276 4.465 1.00 0.00 N ATOM 858 CA HIS C 56 -13.248 -4.657 4.904 1.00 0.00 C ATOM 859 C HIS C 56 -13.073 -5.626 3.730 1.00 0.00 C ATOM 860 O HIS C 56 -12.231 -6.522 3.785 1.00 0.00 O ATOM 861 CB HIS C 56 -14.613 -4.850 5.581 1.00 0.00 C ATOM 862 CG HIS C 56 -14.983 -6.284 5.813 1.00 0.00 C ATOM 863 ND1 HIS C 56 -15.227 -7.175 4.789 1.00 0.00 N ATOM 864 CD2 HIS C 56 -15.150 -6.979 6.963 1.00 0.00 C ATOM 865 CE1 HIS C 56 -15.530 -8.356 5.299 1.00 0.00 C ATOM 866 NE2 HIS C 56 -15.489 -8.263 6.615 1.00 0.00 N ATOM 0 H HIS C 56 -13.841 -2.926 3.878 1.00 0.00 H new ATOM 0 HA HIS C 56 -12.473 -4.878 5.638 1.00 0.00 H new ATOM 0 HB2 HIS C 56 -14.609 -4.327 6.538 1.00 0.00 H new ATOM 0 HB3 HIS C 56 -15.381 -4.383 4.965 1.00 0.00 H new ATOM 0 HD2 HIS C 56 -15.038 -6.595 7.966 1.00 0.00 H new ATOM 0 HE1 HIS C 56 -15.770 -9.245 4.735 1.00 0.00 H new ATOM 0 HE2 HIS C 56 -15.679 -9.023 7.268 1.00 0.00 H new ATOM 875 N PRO C 57 -13.861 -5.470 2.646 1.00 0.00 N ATOM 876 CA PRO C 57 -13.776 -6.338 1.480 1.00 0.00 C ATOM 877 C PRO C 57 -12.871 -5.771 0.388 1.00 0.00 C ATOM 878 O PRO C 57 -13.322 -5.013 -0.471 1.00 0.00 O ATOM 879 CB PRO C 57 -15.224 -6.357 1.011 1.00 0.00 C ATOM 880 CG PRO C 57 -15.724 -4.978 1.300 1.00 0.00 C ATOM 881 CD PRO C 57 -14.907 -4.447 2.460 1.00 0.00 C ATOM 0 HA PRO C 57 -13.349 -7.315 1.707 1.00 0.00 H new ATOM 0 HB2 PRO C 57 -15.295 -6.591 -0.051 1.00 0.00 H new ATOM 0 HB3 PRO C 57 -15.805 -7.110 1.543 1.00 0.00 H new ATOM 0 HG2 PRO C 57 -15.615 -4.337 0.425 1.00 0.00 H new ATOM 0 HG3 PRO C 57 -16.784 -4.997 1.551 1.00 0.00 H new ATOM 0 HD2 PRO C 57 -14.477 -3.471 2.234 1.00 0.00 H new ATOM 0 HD3 PRO C 57 -15.515 -4.328 3.357 1.00 0.00 H new ATOM 889 N SER C 58 -11.593 -6.143 0.421 1.00 0.00 N ATOM 890 CA SER C 58 -10.636 -5.666 -0.574 1.00 0.00 C ATOM 891 C SER C 58 -9.255 -6.276 -0.344 1.00 0.00 C ATOM 892 O SER C 58 -9.019 -6.942 0.664 1.00 0.00 O ATOM 893 CB SER C 58 -10.544 -4.139 -0.538 1.00 0.00 C ATOM 894 OG SER C 58 -9.573 -3.663 -1.454 1.00 0.00 O ATOM 0 H SER C 58 -11.198 -6.770 1.122 1.00 0.00 H new ATOM 0 HA SER C 58 -10.991 -5.978 -1.556 1.00 0.00 H new ATOM 0 HB2 SER C 58 -11.516 -3.708 -0.777 1.00 0.00 H new ATOM 0 HB3 SER C 58 -10.289 -3.811 0.470 1.00 0.00 H new ATOM 0 HG SER C 58 -9.130 -2.873 -1.080 1.00 0.00 H new ATOM 900 N ASP C 59 -8.347 -6.045 -1.289 1.00 0.00 N ATOM 901 CA ASP C 59 -6.990 -6.573 -1.193 1.00 0.00 C ATOM 902 C ASP C 59 -5.959 -5.511 -1.565 1.00 0.00 C ATOM 903 O ASP C 59 -6.042 -4.896 -2.629 1.00 0.00 O ATOM 904 CB ASP C 59 -6.828 -7.794 -2.103 1.00 0.00 C ATOM 905 CG ASP C 59 -7.998 -8.754 -2.001 1.00 0.00 C ATOM 906 OD1 ASP C 59 -8.579 -8.870 -0.902 1.00 0.00 O ATOM 907 OD2 ASP C 59 -8.333 -9.391 -3.022 1.00 0.00 O ATOM 0 H ASP C 59 -8.527 -5.496 -2.129 1.00 0.00 H new ATOM 0 HA ASP C 59 -6.820 -6.871 -0.158 1.00 0.00 H new ATOM 0 HB2 ASP C 59 -6.724 -7.462 -3.136 1.00 0.00 H new ATOM 0 HB3 ASP C 59 -5.908 -8.318 -1.842 1.00 0.00 H new ATOM 912 N ILE C 60 -4.986 -5.303 -0.682 1.00 0.00 N ATOM 913 CA ILE C 60 -3.934 -4.317 -0.916 1.00 0.00 C ATOM 914 C ILE C 60 -2.646 -4.709 -0.198 1.00 0.00 C ATOM 915 O ILE C 60 -2.516 -4.519 1.011 1.00 0.00 O ATOM 916 CB ILE C 60 -4.362 -2.913 -0.446 1.00 0.00 C ATOM 917 CG1 ILE C 60 -4.749 -2.941 1.035 1.00 0.00 C ATOM 918 CG2 ILE C 60 -5.517 -2.401 -1.294 1.00 0.00 C ATOM 919 CD1 ILE C 60 -3.783 -2.188 1.926 1.00 0.00 C ATOM 0 H ILE C 60 -4.904 -5.804 0.203 1.00 0.00 H new ATOM 0 HA ILE C 60 -3.757 -4.293 -1.991 1.00 0.00 H new ATOM 0 HB ILE C 60 -3.519 -2.232 -0.567 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -5.745 -2.514 1.150 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -4.806 -3.977 1.368 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.809 -1.408 -0.950 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -5.206 -2.347 -2.337 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -6.365 -3.080 -1.202 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -4.119 -2.250 2.961 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -2.790 -2.629 1.840 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -3.744 -1.143 1.619 1.00 0.00 H new ATOM 931 N GLU C 61 -1.698 -5.259 -0.950 1.00 0.00 N ATOM 932 CA GLU C 61 -0.422 -5.679 -0.382 1.00 0.00 C ATOM 933 C GLU C 61 0.657 -4.627 -0.613 1.00 0.00 C ATOM 934 O GLU C 61 0.750 -4.044 -1.692 1.00 0.00 O ATOM 935 CB GLU C 61 0.014 -7.014 -0.988 1.00 0.00 C ATOM 936 CG GLU C 61 1.056 -7.747 -0.159 1.00 0.00 C ATOM 937 CD GLU C 61 0.481 -8.946 0.571 1.00 0.00 C ATOM 938 OE1 GLU C 61 -0.745 -8.968 0.804 1.00 0.00 O ATOM 939 OE2 GLU C 61 1.260 -9.863 0.908 1.00 0.00 O ATOM 0 H GLU C 61 -1.789 -5.424 -1.952 1.00 0.00 H new ATOM 0 HA GLU C 61 -0.557 -5.800 0.693 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -0.861 -7.654 -1.105 1.00 0.00 H new ATOM 0 HB3 GLU C 61 0.415 -6.837 -1.986 1.00 0.00 H new ATOM 0 HG2 GLU C 61 1.867 -8.076 -0.809 1.00 0.00 H new ATOM 0 HG3 GLU C 61 1.489 -7.058 0.566 1.00 0.00 H new ATOM 946 N VAL C 62 1.475 -4.394 0.411 1.00 0.00 N ATOM 947 CA VAL C 62 2.554 -3.416 0.324 1.00 0.00 C ATOM 948 C VAL C 62 3.775 -3.880 1.108 1.00 0.00 C ATOM 949 O VAL C 62 3.701 -4.099 2.317 1.00 0.00 O ATOM 950 CB VAL C 62 2.117 -2.039 0.856 1.00 0.00 C ATOM 951 CG1 VAL C 62 3.225 -1.015 0.655 1.00 0.00 C ATOM 952 CG2 VAL C 62 0.831 -1.586 0.183 1.00 0.00 C ATOM 0 H VAL C 62 1.410 -4.870 1.311 1.00 0.00 H new ATOM 0 HA VAL C 62 2.809 -3.324 -0.732 1.00 0.00 H new ATOM 0 HB VAL C 62 1.924 -2.128 1.925 1.00 0.00 H new ATOM 0 HG11 VAL C 62 2.900 -0.047 1.036 1.00 0.00 H new ATOM 0 HG12 VAL C 62 4.118 -1.335 1.192 1.00 0.00 H new ATOM 0 HG13 VAL C 62 3.452 -0.928 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL C 62 0.540 -0.611 0.573 1.00 0.00 H new ATOM 0 HG22 VAL C 62 0.989 -1.513 -0.893 1.00 0.00 H new ATOM 0 HG23 VAL C 62 0.040 -2.309 0.385 1.00 0.00 H new ATOM 962 N ASP C 63 4.900 -4.026 0.417 1.00 0.00 N ATOM 963 CA ASP C 63 6.134 -4.462 1.061 1.00 0.00 C ATOM 964 C ASP C 63 7.351 -3.783 0.442 1.00 0.00 C ATOM 965 O ASP C 63 7.482 -3.712 -0.781 1.00 0.00 O ATOM 966 CB ASP C 63 6.278 -5.982 0.956 1.00 0.00 C ATOM 967 CG ASP C 63 5.046 -6.716 1.450 1.00 0.00 C ATOM 968 OD1 ASP C 63 4.904 -6.878 2.680 1.00 0.00 O ATOM 969 OD2 ASP C 63 4.223 -7.127 0.605 1.00 0.00 O ATOM 0 H ASP C 63 4.983 -3.850 -0.584 1.00 0.00 H new ATOM 0 HA ASP C 63 6.081 -4.176 2.112 1.00 0.00 H new ATOM 0 HB2 ASP C 63 6.468 -6.255 -0.082 1.00 0.00 H new ATOM 0 HB3 ASP C 63 7.145 -6.303 1.534 1.00 0.00 H new ATOM 974 N LEU C 64 8.243 -3.286 1.296 1.00 0.00 N ATOM 975 CA LEU C 64 9.454 -2.613 0.835 1.00 0.00 C ATOM 976 C LEU C 64 10.703 -3.325 1.347 1.00 0.00 C ATOM 977 O LEU C 64 10.831 -3.591 2.543 1.00 0.00 O ATOM 978 CB LEU C 64 9.465 -1.154 1.301 1.00 0.00 C ATOM 979 CG LEU C 64 8.844 -0.153 0.323 1.00 0.00 C ATOM 980 CD1 LEU C 64 7.412 0.165 0.722 1.00 0.00 C ATOM 981 CD2 LEU C 64 9.677 1.120 0.259 1.00 0.00 C ATOM 0 H LEU C 64 8.150 -3.337 2.310 1.00 0.00 H new ATOM 0 HA LEU C 64 9.458 -2.642 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU C 64 8.933 -1.088 2.250 1.00 0.00 H new ATOM 0 HB3 LEU C 64 10.496 -0.858 1.493 1.00 0.00 H new ATOM 0 HG LEU C 64 8.832 -0.605 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU C 64 6.987 0.878 0.015 1.00 0.00 H new ATOM 0 HD12 LEU C 64 6.820 -0.750 0.714 1.00 0.00 H new ATOM 0 HD13 LEU C 64 7.400 0.596 1.723 1.00 0.00 H new ATOM 0 HD21 LEU C 64 9.220 1.819 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU C 64 9.723 1.575 1.248 1.00 0.00 H new ATOM 0 HD23 LEU C 64 10.686 0.878 -0.076 1.00 0.00 H new ATOM 993 N LEU C 65 11.626 -3.631 0.439 1.00 0.00 N ATOM 994 CA LEU C 65 12.864 -4.310 0.814 1.00 0.00 C ATOM 995 C LEU C 65 14.063 -3.723 0.075 1.00 0.00 C ATOM 996 O LEU C 65 15.128 -3.529 0.662 1.00 0.00 O ATOM 997 CB LEU C 65 12.758 -5.809 0.530 1.00 0.00 C ATOM 998 CG LEU C 65 14.006 -6.624 0.881 1.00 0.00 C ATOM 999 CD1 LEU C 65 13.623 -7.911 1.597 1.00 0.00 C ATOM 1000 CD2 LEU C 65 14.817 -6.930 -0.370 1.00 0.00 C ATOM 0 H LEU C 65 11.542 -3.421 -0.556 1.00 0.00 H new ATOM 0 HA LEU C 65 13.015 -4.159 1.883 1.00 0.00 H new ATOM 0 HB2 LEU C 65 11.912 -6.210 1.088 1.00 0.00 H new ATOM 0 HB3 LEU C 65 12.537 -5.948 -0.528 1.00 0.00 H new ATOM 0 HG LEU C 65 14.624 -6.028 1.553 1.00 0.00 H new ATOM 0 HD11 LEU C 65 14.524 -8.475 1.838 1.00 0.00 H new ATOM 0 HD12 LEU C 65 13.089 -7.671 2.516 1.00 0.00 H new ATOM 0 HD13 LEU C 65 12.981 -8.510 0.951 1.00 0.00 H new ATOM 0 HD21 LEU C 65 15.699 -7.510 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU C 65 14.207 -7.503 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU C 65 15.127 -5.997 -0.840 1.00 0.00 H new ATOM 1012 N LYS C 66 13.887 -3.445 -1.215 1.00 0.00 N ATOM 1013 CA LYS C 66 14.953 -2.881 -2.040 1.00 0.00 C ATOM 1014 C LYS C 66 16.267 -3.636 -1.842 1.00 0.00 C ATOM 1015 O LYS C 66 16.214 -4.822 -1.457 1.00 0.00 O ATOM 1016 CB LYS C 66 15.139 -1.386 -1.734 1.00 0.00 C ATOM 1017 CG LYS C 66 15.908 -1.092 -0.451 1.00 0.00 C ATOM 1018 CD LYS C 66 14.985 -0.611 0.657 1.00 0.00 C ATOM 1019 CE LYS C 66 15.771 -0.120 1.863 1.00 0.00 C ATOM 1020 NZ LYS C 66 16.370 1.223 1.627 1.00 0.00 N ATOM 1021 OXT LYS C 66 17.336 -3.033 -2.076 1.00 0.00 O ATOM 0 H LYS C 66 13.011 -3.602 -1.714 1.00 0.00 H new ATOM 0 HA LYS C 66 14.659 -2.989 -3.084 1.00 0.00 H new ATOM 0 HB2 LYS C 66 15.661 -0.920 -2.570 1.00 0.00 H new ATOM 0 HB3 LYS C 66 14.157 -0.917 -1.669 1.00 0.00 H new ATOM 0 HG2 LYS C 66 16.431 -1.991 -0.125 1.00 0.00 H new ATOM 0 HG3 LYS C 66 16.668 -0.335 -0.647 1.00 0.00 H new ATOM 0 HD2 LYS C 66 14.352 0.193 0.282 1.00 0.00 H new ATOM 0 HD3 LYS C 66 14.323 -1.423 0.959 1.00 0.00 H new ATOM 0 HE2 LYS C 66 15.114 -0.077 2.731 1.00 0.00 H new ATOM 0 HE3 LYS C 66 16.561 -0.834 2.096 1.00 0.00 H new ATOM 0 HZ1 LYS C 66 16.825 1.558 2.500 1.00 0.00 H new ATOM 0 HZ2 LYS C 66 17.080 1.158 0.869 1.00 0.00 H new ATOM 0 HZ3 LYS C 66 15.624 1.891 1.347 1.00 0.00 H new TER 1035 LYS C 66 ATOM 1036 N SER D 67 14.755 7.093 12.822 1.00 0.00 N ATOM 1037 CA SER D 67 14.778 5.934 11.893 1.00 0.00 C ATOM 1038 C SER D 67 14.110 6.278 10.565 1.00 0.00 C ATOM 1039 O SER D 67 13.491 7.332 10.426 1.00 0.00 O ATOM 1040 CB SER D 67 14.058 4.760 12.559 1.00 0.00 C ATOM 1041 OG SER D 67 14.291 3.552 11.856 1.00 0.00 O ATOM 0 HA SER D 67 15.813 5.667 11.680 1.00 0.00 H new ATOM 0 HB2 SER D 67 14.400 4.657 13.589 1.00 0.00 H new ATOM 0 HB3 SER D 67 12.987 4.961 12.598 1.00 0.00 H new ATOM 0 HG SER D 67 13.821 2.817 12.303 1.00 0.00 H new ATOM 1049 N ASN D 68 14.239 5.380 9.594 1.00 0.00 N ATOM 1050 CA ASN D 68 13.648 5.590 8.277 1.00 0.00 C ATOM 1051 C ASN D 68 12.406 4.722 8.093 1.00 0.00 C ATOM 1052 O ASN D 68 12.049 4.365 6.970 1.00 0.00 O ATOM 1053 CB ASN D 68 14.666 5.276 7.179 1.00 0.00 C ATOM 1054 CG ASN D 68 16.048 5.817 7.494 1.00 0.00 C ATOM 1055 OD1 ASN D 68 16.251 7.029 7.568 1.00 0.00 O ATOM 1056 ND2 ASN D 68 17.006 4.918 7.683 1.00 0.00 N ATOM 0 H ASN D 68 14.747 4.501 9.694 1.00 0.00 H new ATOM 0 HA ASN D 68 13.355 6.637 8.203 1.00 0.00 H new ATOM 0 HB2 ASN D 68 14.725 4.196 7.041 1.00 0.00 H new ATOM 0 HB3 ASN D 68 14.320 5.699 6.236 1.00 0.00 H new ATOM 0 HD21 ASN D 68 17.955 5.222 7.899 1.00 0.00 H new ATOM 0 HD22 ASN D 68 16.793 3.923 7.612 1.00 0.00 H new ATOM 1063 N PHE D 69 11.753 4.384 9.201 1.00 0.00 N ATOM 1064 CA PHE D 69 10.553 3.557 9.159 1.00 0.00 C ATOM 1065 C PHE D 69 9.304 4.389 9.437 1.00 0.00 C ATOM 1066 O PHE D 69 8.842 4.473 10.575 1.00 0.00 O ATOM 1067 CB PHE D 69 10.661 2.413 10.175 1.00 0.00 C ATOM 1068 CG PHE D 69 9.397 1.612 10.328 1.00 0.00 C ATOM 1069 CD1 PHE D 69 8.590 1.347 9.233 1.00 0.00 C ATOM 1070 CD2 PHE D 69 9.015 1.127 11.569 1.00 0.00 C ATOM 1071 CE1 PHE D 69 7.427 0.613 9.372 1.00 0.00 C ATOM 1072 CE2 PHE D 69 7.852 0.392 11.714 1.00 0.00 C ATOM 1073 CZ PHE D 69 7.058 0.136 10.613 1.00 0.00 C ATOM 0 H PHE D 69 12.035 4.670 10.138 1.00 0.00 H new ATOM 0 HA PHE D 69 10.467 3.137 8.157 1.00 0.00 H new ATOM 0 HB2 PHE D 69 11.468 1.746 9.872 1.00 0.00 H new ATOM 0 HB3 PHE D 69 10.937 2.827 11.145 1.00 0.00 H new ATOM 0 HD1 PHE D 69 8.873 1.718 8.259 1.00 0.00 H new ATOM 0 HD2 PHE D 69 9.632 1.325 12.433 1.00 0.00 H new ATOM 0 HE1 PHE D 69 6.808 0.413 8.510 1.00 0.00 H new ATOM 0 HE2 PHE D 69 7.565 0.019 12.686 1.00 0.00 H new ATOM 0 HZ PHE D 69 6.149 -0.437 10.723 1.00 0.00 H new ATOM 1083 N LEU D 70 8.759 4.998 8.388 1.00 0.00 N ATOM 1084 CA LEU D 70 7.561 5.818 8.518 1.00 0.00 C ATOM 1085 C LEU D 70 6.306 4.980 8.284 1.00 0.00 C ATOM 1086 O LEU D 70 5.867 4.806 7.148 1.00 0.00 O ATOM 1087 CB LEU D 70 7.607 6.985 7.527 1.00 0.00 C ATOM 1088 CG LEU D 70 7.580 8.375 8.165 1.00 0.00 C ATOM 1089 CD1 LEU D 70 6.376 8.516 9.084 1.00 0.00 C ATOM 1090 CD2 LEU D 70 8.870 8.634 8.930 1.00 0.00 C ATOM 0 H LEU D 70 9.129 4.939 7.439 1.00 0.00 H new ATOM 0 HA LEU D 70 7.527 6.216 9.532 1.00 0.00 H new ATOM 0 HB2 LEU D 70 8.511 6.895 6.925 1.00 0.00 H new ATOM 0 HB3 LEU D 70 6.760 6.898 6.846 1.00 0.00 H new ATOM 0 HG LEU D 70 7.495 9.118 7.372 1.00 0.00 H new ATOM 0 HD11 LEU D 70 6.373 9.511 9.529 1.00 0.00 H new ATOM 0 HD12 LEU D 70 5.461 8.373 8.509 1.00 0.00 H new ATOM 0 HD13 LEU D 70 6.430 7.766 9.873 1.00 0.00 H new ATOM 0 HD21 LEU D 70 8.834 9.627 9.378 1.00 0.00 H new ATOM 0 HD22 LEU D 70 8.984 7.886 9.715 1.00 0.00 H new ATOM 0 HD23 LEU D 70 9.717 8.574 8.246 1.00 0.00 H new ATOM 1102 N ASN D 71 5.736 4.461 9.367 1.00 0.00 N ATOM 1103 CA ASN D 71 4.533 3.639 9.280 1.00 0.00 C ATOM 1104 C ASN D 71 3.281 4.473 9.541 1.00 0.00 C ATOM 1105 O ASN D 71 2.513 4.188 10.460 1.00 0.00 O ATOM 1106 CB ASN D 71 4.604 2.477 10.274 1.00 0.00 C ATOM 1107 CG ASN D 71 5.101 2.908 11.641 1.00 0.00 C ATOM 1108 OD1 ASN D 71 4.296 3.697 12.344 1.00 0.00 O flip ATOM 1109 ND2 ASN D 71 6.198 2.538 12.061 1.00 0.00 N flip ATOM 0 H ASN D 71 6.087 4.595 10.315 1.00 0.00 H new ATOM 0 HA ASN D 71 4.475 3.236 8.269 1.00 0.00 H new ATOM 0 HB2 ASN D 71 3.615 2.030 10.375 1.00 0.00 H new ATOM 0 HB3 ASN D 71 5.264 1.705 9.878 1.00 0.00 H new ATOM 0 HD21 ASN D 71 6.785 1.932 11.488 1.00 0.00 H new ATOM 0 HD22 ASN D 71 6.519 2.838 12.982 1.00 0.00 H new ATOM 1116 N CYS D 72 3.082 5.505 8.727 1.00 0.00 N ATOM 1117 CA CYS D 72 1.923 6.378 8.871 1.00 0.00 C ATOM 1118 C CYS D 72 0.627 5.586 8.723 1.00 0.00 C ATOM 1119 O CYS D 72 0.376 4.976 7.683 1.00 0.00 O ATOM 1120 CB CYS D 72 1.974 7.502 7.834 1.00 0.00 C ATOM 1121 SG CYS D 72 2.387 9.122 8.523 1.00 0.00 S ATOM 0 H CYS D 72 3.708 5.757 7.962 1.00 0.00 H new ATOM 0 HA CYS D 72 1.947 6.816 9.869 1.00 0.00 H new ATOM 0 HB2 CYS D 72 2.709 7.245 7.071 1.00 0.00 H new ATOM 0 HB3 CYS D 72 1.007 7.567 7.336 1.00 0.00 H new ATOM 0 HG CYS D 72 2.408 10.006 7.570 1.00 0.00 H new ATOM 1127 N TYR D 73 -0.191 5.594 9.771 1.00 0.00 N ATOM 1128 CA TYR D 73 -1.458 4.870 9.749 1.00 0.00 C ATOM 1129 C TYR D 73 -2.616 5.770 10.169 1.00 0.00 C ATOM 1130 O TYR D 73 -2.511 6.534 11.129 1.00 0.00 O ATOM 1131 CB TYR D 73 -1.393 3.638 10.660 1.00 0.00 C ATOM 1132 CG TYR D 73 -0.522 3.814 11.885 1.00 0.00 C ATOM 1133 CD1 TYR D 73 -0.848 4.739 12.869 1.00 0.00 C ATOM 1134 CD2 TYR D 73 0.624 3.048 12.060 1.00 0.00 C ATOM 1135 CE1 TYR D 73 -0.056 4.897 13.991 1.00 0.00 C ATOM 1136 CE2 TYR D 73 1.421 3.201 13.179 1.00 0.00 C ATOM 1137 CZ TYR D 73 1.076 4.126 14.140 1.00 0.00 C ATOM 1138 OH TYR D 73 1.867 4.281 15.256 1.00 0.00 O ATOM 0 H TYR D 73 -0.001 6.091 10.641 1.00 0.00 H new ATOM 0 HA TYR D 73 -1.633 4.542 8.724 1.00 0.00 H new ATOM 0 HB2 TYR D 73 -2.403 3.384 10.981 1.00 0.00 H new ATOM 0 HB3 TYR D 73 -1.020 2.793 10.082 1.00 0.00 H new ATOM 0 HD1 TYR D 73 -1.735 5.345 12.755 1.00 0.00 H new ATOM 0 HD2 TYR D 73 0.897 2.321 11.309 1.00 0.00 H new ATOM 0 HE1 TYR D 73 -0.323 5.621 14.747 1.00 0.00 H new ATOM 0 HE2 TYR D 73 2.309 2.599 13.299 1.00 0.00 H new ATOM 0 HH TYR D 73 2.625 3.662 15.208 1.00 0.00 H new ATOM 1148 N VAL D 74 -3.725 5.668 9.444 1.00 0.00 N ATOM 1149 CA VAL D 74 -4.912 6.463 9.735 1.00 0.00 C ATOM 1150 C VAL D 74 -6.168 5.763 9.223 1.00 0.00 C ATOM 1151 O VAL D 74 -6.913 6.305 8.402 1.00 0.00 O ATOM 1152 CB VAL D 74 -4.823 7.876 9.120 1.00 0.00 C ATOM 1153 CG1 VAL D 74 -4.109 8.827 10.067 1.00 0.00 C ATOM 1154 CG2 VAL D 74 -4.124 7.835 7.769 1.00 0.00 C ATOM 0 H VAL D 74 -3.826 5.039 8.647 1.00 0.00 H new ATOM 0 HA VAL D 74 -4.969 6.566 10.819 1.00 0.00 H new ATOM 0 HB VAL D 74 -5.837 8.245 8.965 1.00 0.00 H new ATOM 0 HG11 VAL D 74 -4.056 9.818 9.616 1.00 0.00 H new ATOM 0 HG12 VAL D 74 -4.658 8.885 11.007 1.00 0.00 H new ATOM 0 HG13 VAL D 74 -3.100 8.461 10.258 1.00 0.00 H new ATOM 0 HG21 VAL D 74 -4.073 8.842 7.355 1.00 0.00 H new ATOM 0 HG22 VAL D 74 -3.115 7.442 7.893 1.00 0.00 H new ATOM 0 HG23 VAL D 74 -4.683 7.191 7.090 1.00 0.00 H new ATOM 1164 N SER D 75 -6.391 4.545 9.711 1.00 0.00 N ATOM 1165 CA SER D 75 -7.548 3.751 9.312 1.00 0.00 C ATOM 1166 C SER D 75 -7.436 2.330 9.860 1.00 0.00 C ATOM 1167 O SER D 75 -6.436 1.975 10.484 1.00 0.00 O ATOM 1168 CB SER D 75 -7.674 3.730 7.783 1.00 0.00 C ATOM 1169 OG SER D 75 -7.895 2.417 7.294 1.00 0.00 O ATOM 0 H SER D 75 -5.781 4.085 10.387 1.00 0.00 H new ATOM 0 HA SER D 75 -8.445 4.209 9.729 1.00 0.00 H new ATOM 0 HB2 SER D 75 -8.497 4.376 7.477 1.00 0.00 H new ATOM 0 HB3 SER D 75 -6.766 4.137 7.337 1.00 0.00 H new ATOM 0 HG SER D 75 -7.285 2.239 6.548 1.00 0.00 H new ATOM 1175 N GLY D 76 -8.465 1.521 9.626 1.00 0.00 N ATOM 1176 CA GLY D 76 -8.455 0.151 10.107 1.00 0.00 C ATOM 1177 C GLY D 76 -8.945 -0.838 9.065 1.00 0.00 C ATOM 1178 O GLY D 76 -9.824 -0.521 8.264 1.00 0.00 O ATOM 0 H GLY D 76 -9.305 1.789 9.113 1.00 0.00 H new ATOM 0 HA2 GLY D 76 -7.442 -0.117 10.409 1.00 0.00 H new ATOM 0 HA3 GLY D 76 -9.082 0.077 10.995 1.00 0.00 H new ATOM 1182 N PHE D 77 -8.376 -2.040 9.080 1.00 0.00 N ATOM 1183 CA PHE D 77 -8.761 -3.079 8.131 1.00 0.00 C ATOM 1184 C PHE D 77 -8.281 -4.450 8.595 1.00 0.00 C ATOM 1185 O PHE D 77 -7.312 -4.991 8.062 1.00 0.00 O ATOM 1186 CB PHE D 77 -8.201 -2.772 6.738 1.00 0.00 C ATOM 1187 CG PHE D 77 -6.787 -2.247 6.735 1.00 0.00 C ATOM 1188 CD1 PHE D 77 -5.920 -2.510 7.788 1.00 0.00 C ATOM 1189 CD2 PHE D 77 -6.326 -1.490 5.669 1.00 0.00 C ATOM 1190 CE1 PHE D 77 -4.625 -2.028 7.774 1.00 0.00 C ATOM 1191 CE2 PHE D 77 -5.032 -1.006 5.652 1.00 0.00 C ATOM 1192 CZ PHE D 77 -4.180 -1.275 6.705 1.00 0.00 C ATOM 0 H PHE D 77 -7.648 -2.318 9.738 1.00 0.00 H new ATOM 0 HA PHE D 77 -9.850 -3.095 8.078 1.00 0.00 H new ATOM 0 HB2 PHE D 77 -8.239 -3.680 6.136 1.00 0.00 H new ATOM 0 HB3 PHE D 77 -8.848 -2.041 6.253 1.00 0.00 H new ATOM 0 HD1 PHE D 77 -6.262 -3.098 8.627 1.00 0.00 H new ATOM 0 HD2 PHE D 77 -6.986 -1.276 4.842 1.00 0.00 H new ATOM 0 HE1 PHE D 77 -3.961 -2.240 8.599 1.00 0.00 H new ATOM 0 HE2 PHE D 77 -4.687 -0.417 4.815 1.00 0.00 H new ATOM 0 HZ PHE D 77 -3.168 -0.898 6.693 1.00 0.00 H new ATOM 1202 N HIS D 78 -8.961 -5.009 9.590 1.00 0.00 N ATOM 1203 CA HIS D 78 -8.596 -6.316 10.120 1.00 0.00 C ATOM 1204 C HIS D 78 -8.892 -7.418 9.101 1.00 0.00 C ATOM 1205 O HIS D 78 -7.976 -8.074 8.607 1.00 0.00 O ATOM 1206 CB HIS D 78 -9.336 -6.586 11.431 1.00 0.00 C ATOM 1207 CG HIS D 78 -8.568 -6.174 12.649 1.00 0.00 C ATOM 1208 ND1 HIS D 78 -9.057 -6.313 13.931 1.00 0.00 N ATOM 1209 CD2 HIS D 78 -7.339 -5.618 12.777 1.00 0.00 C ATOM 1210 CE1 HIS D 78 -8.165 -5.862 14.793 1.00 0.00 C ATOM 1211 NE2 HIS D 78 -7.113 -5.434 14.118 1.00 0.00 N ATOM 0 H HIS D 78 -9.766 -4.578 10.044 1.00 0.00 H new ATOM 0 HA HIS D 78 -7.524 -6.316 10.319 1.00 0.00 H new ATOM 0 HB2 HIS D 78 -10.289 -6.057 11.416 1.00 0.00 H new ATOM 0 HB3 HIS D 78 -9.563 -7.650 11.498 1.00 0.00 H new ATOM 0 HD2 HIS D 78 -6.663 -5.366 11.973 1.00 0.00 H new ATOM 0 HE1 HIS D 78 -8.276 -5.846 15.867 1.00 0.00 H new ATOM 0 HE2 HIS D 78 -6.270 -5.032 14.527 1.00 0.00 H new ATOM 1220 N PRO D 79 -10.178 -7.637 8.766 1.00 0.00 N ATOM 1221 CA PRO D 79 -10.575 -8.663 7.798 1.00 0.00 C ATOM 1222 C PRO D 79 -10.393 -8.201 6.355 1.00 0.00 C ATOM 1223 O PRO D 79 -11.313 -7.647 5.754 1.00 0.00 O ATOM 1224 CB PRO D 79 -12.057 -8.856 8.105 1.00 0.00 C ATOM 1225 CG PRO D 79 -12.512 -7.513 8.556 1.00 0.00 C ATOM 1226 CD PRO D 79 -11.349 -6.906 9.297 1.00 0.00 C ATOM 0 HA PRO D 79 -9.975 -9.569 7.885 1.00 0.00 H new ATOM 0 HB2 PRO D 79 -12.607 -9.188 7.224 1.00 0.00 H new ATOM 0 HB3 PRO D 79 -12.209 -9.609 8.878 1.00 0.00 H new ATOM 0 HG2 PRO D 79 -12.799 -6.893 7.707 1.00 0.00 H new ATOM 0 HG3 PRO D 79 -13.386 -7.594 9.202 1.00 0.00 H new ATOM 0 HD2 PRO D 79 -11.271 -5.835 9.112 1.00 0.00 H new ATOM 0 HD3 PRO D 79 -11.448 -7.037 10.375 1.00 0.00 H new ATOM 1234 N SER D 80 -9.206 -8.430 5.803 1.00 0.00 N ATOM 1235 CA SER D 80 -8.917 -8.033 4.429 1.00 0.00 C ATOM 1236 C SER D 80 -7.531 -8.503 4.002 1.00 0.00 C ATOM 1237 O SER D 80 -6.645 -8.697 4.834 1.00 0.00 O ATOM 1238 CB SER D 80 -9.016 -6.513 4.283 1.00 0.00 C ATOM 1239 OG SER D 80 -8.548 -6.091 3.014 1.00 0.00 O ATOM 0 H SER D 80 -8.431 -8.887 6.284 1.00 0.00 H new ATOM 0 HA SER D 80 -9.656 -8.505 3.782 1.00 0.00 H new ATOM 0 HB2 SER D 80 -10.051 -6.199 4.415 1.00 0.00 H new ATOM 0 HB3 SER D 80 -8.433 -6.030 5.068 1.00 0.00 H new ATOM 0 HG SER D 80 -9.013 -6.591 2.311 1.00 0.00 H new ATOM 1245 N ASP D 81 -7.349 -8.681 2.696 1.00 0.00 N ATOM 1246 CA ASP D 81 -6.070 -9.123 2.156 1.00 0.00 C ATOM 1247 C ASP D 81 -5.091 -7.956 2.071 1.00 0.00 C ATOM 1248 O ASP D 81 -4.655 -7.572 0.986 1.00 0.00 O ATOM 1249 CB ASP D 81 -6.263 -9.748 0.773 1.00 0.00 C ATOM 1250 CG ASP D 81 -4.998 -10.401 0.250 1.00 0.00 C ATOM 1251 OD1 ASP D 81 -4.727 -11.560 0.631 1.00 0.00 O ATOM 1252 OD2 ASP D 81 -4.277 -9.753 -0.539 1.00 0.00 O ATOM 0 H ASP D 81 -8.072 -8.525 1.994 1.00 0.00 H new ATOM 0 HA ASP D 81 -5.657 -9.875 2.828 1.00 0.00 H new ATOM 0 HB2 ASP D 81 -7.059 -10.491 0.821 1.00 0.00 H new ATOM 0 HB3 ASP D 81 -6.588 -8.979 0.072 1.00 0.00 H new ATOM 1257 N ILE D 82 -4.754 -7.393 3.227 1.00 0.00 N ATOM 1258 CA ILE D 82 -3.828 -6.268 3.287 1.00 0.00 C ATOM 1259 C ILE D 82 -2.532 -6.659 3.990 1.00 0.00 C ATOM 1260 O ILE D 82 -2.524 -7.538 4.853 1.00 0.00 O ATOM 1261 CB ILE D 82 -4.459 -5.045 3.999 1.00 0.00 C ATOM 1262 CG1 ILE D 82 -4.487 -5.234 5.523 1.00 0.00 C ATOM 1263 CG2 ILE D 82 -5.864 -4.794 3.469 1.00 0.00 C ATOM 1264 CD1 ILE D 82 -5.400 -6.348 5.987 1.00 0.00 C ATOM 0 H ILE D 82 -5.108 -7.697 4.134 1.00 0.00 H new ATOM 0 HA ILE D 82 -3.603 -5.989 2.258 1.00 0.00 H new ATOM 0 HB ILE D 82 -3.838 -4.175 3.784 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -3.475 -5.438 5.872 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -4.803 -4.301 5.989 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -6.296 -3.932 3.977 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -5.819 -4.598 2.398 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -6.484 -5.672 3.652 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -5.365 -6.418 7.074 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -6.421 -6.137 5.670 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -5.072 -7.292 5.552 1.00 0.00 H new ATOM 1276 N GLU D 83 -1.439 -6.003 3.618 1.00 0.00 N ATOM 1277 CA GLU D 83 -0.140 -6.288 4.217 1.00 0.00 C ATOM 1278 C GLU D 83 0.837 -5.141 3.984 1.00 0.00 C ATOM 1279 O GLU D 83 1.533 -5.102 2.969 1.00 0.00 O ATOM 1280 CB GLU D 83 0.434 -7.585 3.646 1.00 0.00 C ATOM 1281 CG GLU D 83 1.773 -7.977 4.251 1.00 0.00 C ATOM 1282 CD GLU D 83 1.734 -8.034 5.766 1.00 0.00 C ATOM 1283 OE1 GLU D 83 0.647 -8.294 6.323 1.00 0.00 O ATOM 1284 OE2 GLU D 83 2.792 -7.819 6.395 1.00 0.00 O ATOM 0 H GLU D 83 -1.426 -5.272 2.907 1.00 0.00 H new ATOM 0 HA GLU D 83 -0.284 -6.402 5.291 1.00 0.00 H new ATOM 0 HB2 GLU D 83 -0.280 -8.392 3.811 1.00 0.00 H new ATOM 0 HB3 GLU D 83 0.550 -7.477 2.568 1.00 0.00 H new ATOM 0 HG2 GLU D 83 2.072 -8.950 3.862 1.00 0.00 H new ATOM 0 HG3 GLU D 83 2.533 -7.261 3.937 1.00 0.00 H new ATOM 1291 N VAL D 84 0.892 -4.213 4.934 1.00 0.00 N ATOM 1292 CA VAL D 84 1.792 -3.071 4.840 1.00 0.00 C ATOM 1293 C VAL D 84 2.971 -3.237 5.793 1.00 0.00 C ATOM 1294 O VAL D 84 2.791 -3.302 7.009 1.00 0.00 O ATOM 1295 CB VAL D 84 1.066 -1.748 5.162 1.00 0.00 C ATOM 1296 CG1 VAL D 84 2.037 -0.575 5.119 1.00 0.00 C ATOM 1297 CG2 VAL D 84 -0.092 -1.526 4.200 1.00 0.00 C ATOM 0 H VAL D 84 0.322 -4.231 5.780 1.00 0.00 H new ATOM 0 HA VAL D 84 2.153 -3.031 3.812 1.00 0.00 H new ATOM 0 HB VAL D 84 0.663 -1.816 6.172 1.00 0.00 H new ATOM 0 HG11 VAL D 84 1.504 0.347 5.349 1.00 0.00 H new ATOM 0 HG12 VAL D 84 2.827 -0.730 5.853 1.00 0.00 H new ATOM 0 HG13 VAL D 84 2.476 -0.502 4.124 1.00 0.00 H new ATOM 0 HG21 VAL D 84 -0.592 -0.588 4.443 1.00 0.00 H new ATOM 0 HG22 VAL D 84 0.287 -1.482 3.179 1.00 0.00 H new ATOM 0 HG23 VAL D 84 -0.801 -2.349 4.289 1.00 0.00 H new ATOM 1307 N ASP D 85 4.174 -3.305 5.236 1.00 0.00 N ATOM 1308 CA ASP D 85 5.373 -3.465 6.047 1.00 0.00 C ATOM 1309 C ASP D 85 6.634 -3.358 5.194 1.00 0.00 C ATOM 1310 O ASP D 85 6.570 -3.085 3.994 1.00 0.00 O ATOM 1311 CB ASP D 85 5.344 -4.813 6.772 1.00 0.00 C ATOM 1312 CG ASP D 85 5.295 -4.658 8.280 1.00 0.00 C ATOM 1313 OD1 ASP D 85 4.465 -3.863 8.768 1.00 0.00 O ATOM 1314 OD2 ASP D 85 6.086 -5.333 8.972 1.00 0.00 O ATOM 0 H ASP D 85 4.344 -3.252 4.232 1.00 0.00 H new ATOM 0 HA ASP D 85 5.391 -2.662 6.783 1.00 0.00 H new ATOM 0 HB2 ASP D 85 4.476 -5.382 6.440 1.00 0.00 H new ATOM 0 HB3 ASP D 85 6.228 -5.389 6.497 1.00 0.00 H new ATOM 1319 N LEU D 86 7.780 -3.573 5.829 1.00 0.00 N ATOM 1320 CA LEU D 86 9.063 -3.503 5.143 1.00 0.00 C ATOM 1321 C LEU D 86 10.194 -3.930 6.073 1.00 0.00 C ATOM 1322 O LEU D 86 9.948 -4.405 7.182 1.00 0.00 O ATOM 1323 CB LEU D 86 9.312 -2.084 4.606 1.00 0.00 C ATOM 1324 CG LEU D 86 9.397 -0.963 5.653 1.00 0.00 C ATOM 1325 CD1 LEU D 86 8.157 -0.939 6.530 1.00 0.00 C ATOM 1326 CD2 LEU D 86 10.653 -1.103 6.502 1.00 0.00 C ATOM 0 H LEU D 86 7.846 -3.798 6.822 1.00 0.00 H new ATOM 0 HA LEU D 86 9.037 -4.191 4.298 1.00 0.00 H new ATOM 0 HB2 LEU D 86 10.242 -2.092 4.038 1.00 0.00 H new ATOM 0 HB3 LEU D 86 8.513 -1.838 3.906 1.00 0.00 H new ATOM 0 HG LEU D 86 9.452 -0.014 5.119 1.00 0.00 H new ATOM 0 HD11 LEU D 86 8.244 -0.136 7.262 1.00 0.00 H new ATOM 0 HD12 LEU D 86 7.276 -0.771 5.910 1.00 0.00 H new ATOM 0 HD13 LEU D 86 8.059 -1.893 7.048 1.00 0.00 H new ATOM 0 HD21 LEU D 86 10.688 -0.297 7.235 1.00 0.00 H new ATOM 0 HD22 LEU D 86 10.638 -2.063 7.019 1.00 0.00 H new ATOM 0 HD23 LEU D 86 11.533 -1.050 5.861 1.00 0.00 H new ATOM 1338 N LEU D 87 11.431 -3.757 5.618 1.00 0.00 N ATOM 1339 CA LEU D 87 12.600 -4.125 6.415 1.00 0.00 C ATOM 1340 C LEU D 87 12.467 -3.617 7.849 1.00 0.00 C ATOM 1341 O LEU D 87 12.662 -2.431 8.119 1.00 0.00 O ATOM 1342 CB LEU D 87 13.873 -3.562 5.781 1.00 0.00 C ATOM 1343 CG LEU D 87 15.163 -3.849 6.552 1.00 0.00 C ATOM 1344 CD1 LEU D 87 16.337 -3.980 5.595 1.00 0.00 C ATOM 1345 CD2 LEU D 87 15.427 -2.756 7.576 1.00 0.00 C ATOM 0 H LEU D 87 11.651 -3.365 4.703 1.00 0.00 H new ATOM 0 HA LEU D 87 12.662 -5.213 6.439 1.00 0.00 H new ATOM 0 HB2 LEU D 87 13.971 -3.970 4.775 1.00 0.00 H new ATOM 0 HB3 LEU D 87 13.762 -2.483 5.678 1.00 0.00 H new ATOM 0 HG LEU D 87 15.045 -4.794 7.082 1.00 0.00 H new ATOM 0 HD11 LEU D 87 17.246 -4.184 6.160 1.00 0.00 H new ATOM 0 HD12 LEU D 87 16.150 -4.799 4.900 1.00 0.00 H new ATOM 0 HD13 LEU D 87 16.457 -3.051 5.037 1.00 0.00 H new ATOM 0 HD21 LEU D 87 16.348 -2.977 8.115 1.00 0.00 H new ATOM 0 HD22 LEU D 87 15.525 -1.797 7.067 1.00 0.00 H new ATOM 0 HD23 LEU D 87 14.597 -2.710 8.281 1.00 0.00 H new ATOM 1357 N LYS D 88 12.131 -4.522 8.764 1.00 0.00 N ATOM 1358 CA LYS D 88 11.967 -4.169 10.170 1.00 0.00 C ATOM 1359 C LYS D 88 10.739 -3.287 10.368 1.00 0.00 C ATOM 1360 O LYS D 88 10.759 -2.130 9.898 1.00 0.00 O ATOM 1361 CB LYS D 88 13.215 -3.450 10.691 1.00 0.00 C ATOM 1362 CG LYS D 88 13.516 -3.732 12.155 1.00 0.00 C ATOM 1363 CD LYS D 88 12.309 -3.460 13.038 1.00 0.00 C ATOM 1364 CE LYS D 88 11.970 -1.979 13.081 1.00 0.00 C ATOM 1365 NZ LYS D 88 11.244 -1.612 14.328 1.00 0.00 N ATOM 1366 OXT LYS D 88 9.765 -3.761 10.991 1.00 0.00 O ATOM 0 H LYS D 88 11.967 -5.507 8.556 1.00 0.00 H new ATOM 0 HA LYS D 88 11.828 -5.091 10.735 1.00 0.00 H new ATOM 0 HB2 LYS D 88 14.073 -3.748 10.089 1.00 0.00 H new ATOM 0 HB3 LYS D 88 13.088 -2.376 10.556 1.00 0.00 H new ATOM 0 HG2 LYS D 88 13.824 -4.771 12.270 1.00 0.00 H new ATOM 0 HG3 LYS D 88 14.352 -3.113 12.481 1.00 0.00 H new ATOM 0 HD2 LYS D 88 11.451 -4.020 12.665 1.00 0.00 H new ATOM 0 HD3 LYS D 88 12.508 -3.818 14.048 1.00 0.00 H new ATOM 0 HE2 LYS D 88 12.887 -1.394 13.009 1.00 0.00 H new ATOM 0 HE3 LYS D 88 11.359 -1.721 12.216 1.00 0.00 H new ATOM 0 HZ1 LYS D 88 11.031 -0.594 14.319 1.00 0.00 H new ATOM 0 HZ2 LYS D 88 10.356 -2.151 14.384 1.00 0.00 H new ATOM 0 HZ3 LYS D 88 11.837 -1.834 15.153 1.00 0.00 H new TER 1380 LYS D 88