USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 4 ASN : amide:sc= -0.983 K(o=-6.6,f=-3.6) USER MOD Set 2.2: A 7 ASN : amide:sc= -0.79 K(o=-6.6,f=-3.8) USER MOD Set 2.3: A 68 HIS : no HD1:sc= -4.9! K(o=-6.6!,f=-2) USER MOD Set 2.4: A 69 THR OG1 : rot -96:sc= 0.855 USER MOD Set 2.5: A 89 ASN : amide:sc= -0.783 K(o=-6.6,f=-4.7) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 52:sc= 1.3 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.905 K(o=0.91,f=-6.8!) USER MOD Single : A 29 HIS : no HD1:sc= -1.06 K(o=-1.1,f=0.31) USER MOD Single : A 31 HIS : no HE2:sc= 1.15 K(o=1.2,f=-3.6!) USER MOD Single : A 33 THR OG1 : rot 100:sc=-0.00452 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.044) USER MOD Single : A 38 ASN : amide:sc=-0.00974 X(o=-0.0097,f=-0.042) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.0888 K(o=0.089,f=-4.6!) USER MOD Single : A 45 ASN : amide:sc= -5.35! C(o=-5.3!,f=-6.7!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -170:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -154:sc= 1.34 USER MOD Single : A 65 ASN : amide:sc= -0.146 K(o=-0.15,f=-4.5!) USER MOD Single : A 71 THR OG1 : rot 39:sc= 0.545 USER MOD Single : A 73 SER OG : rot -143:sc= 0.0447 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.86) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.053) USER MOD Single : A 84 SER OG : rot -87:sc= -1.79 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -176:sc= -3.96! (180deg=-4.04!) USER MOD Single : A 90 TYR OH : rot 174:sc= 0.562 USER MOD Single : A 94 ASN : amide:sc= -1.6! K(o=-1.6!,f=-3.1) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 3 11.158 -3.821 -1.696 1.00 0.00 N ATOM 34 CA CYS A 3 10.403 -4.815 -0.953 1.00 0.00 C ATOM 35 C CYS A 3 9.572 -5.686 -1.896 1.00 0.00 C ATOM 36 O CYS A 3 9.685 -6.913 -1.877 1.00 0.00 O ATOM 37 CB CYS A 3 9.499 -4.116 0.061 1.00 0.00 C ATOM 38 SG CYS A 3 10.386 -3.046 1.243 1.00 0.00 S ATOM 0 HA CYS A 3 11.102 -5.465 -0.426 1.00 0.00 H new ATOM 0 HB2 CYS A 3 8.766 -3.514 -0.477 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.945 -4.871 0.618 1.00 0.00 H new ATOM 42 N ASN A 4 8.745 -5.038 -2.716 1.00 0.00 N ATOM 43 CA ASN A 4 7.891 -5.720 -3.688 1.00 0.00 C ATOM 44 C ASN A 4 7.052 -6.819 -3.042 1.00 0.00 C ATOM 45 O ASN A 4 7.313 -8.008 -3.238 1.00 0.00 O ATOM 46 CB ASN A 4 8.728 -6.297 -4.833 1.00 0.00 C ATOM 47 CG ASN A 4 9.213 -5.228 -5.792 1.00 0.00 C ATOM 48 OD1 ASN A 4 9.434 -4.083 -5.407 1.00 0.00 O ATOM 49 ND2 ASN A 4 9.374 -5.594 -7.050 1.00 0.00 N ATOM 0 H ASN A 4 8.648 -4.023 -2.725 1.00 0.00 H new ATOM 0 HA ASN A 4 7.205 -4.975 -4.090 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.586 -6.827 -4.420 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.134 -7.029 -5.380 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.693 -4.916 -7.742 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.180 -6.555 -7.330 1.00 0.00 H new ATOM 55 N PHE A 5 6.037 -6.409 -2.284 1.00 0.00 N ATOM 56 CA PHE A 5 5.143 -7.347 -1.607 1.00 0.00 C ATOM 57 C PHE A 5 4.481 -8.297 -2.609 1.00 0.00 C ATOM 58 O PHE A 5 4.251 -9.468 -2.320 1.00 0.00 O ATOM 59 CB PHE A 5 4.057 -6.588 -0.826 1.00 0.00 C ATOM 60 CG PHE A 5 2.972 -5.994 -1.686 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.232 -4.921 -2.527 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.690 -6.519 -1.656 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.235 -4.386 -3.318 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.688 -5.987 -2.444 1.00 0.00 C ATOM 65 CZ PHE A 5 0.961 -4.920 -3.277 1.00 0.00 C ATOM 0 H PHE A 5 5.812 -5.427 -2.122 1.00 0.00 H new ATOM 0 HA PHE A 5 5.744 -7.934 -0.912 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.602 -7.268 -0.106 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.529 -5.789 -0.255 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.226 -4.500 -2.563 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.471 -7.355 -1.008 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.450 -3.551 -3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.307 -6.405 -2.409 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.180 -4.503 -3.896 1.00 0.00 H new ATOM 74 N ALA A 6 4.219 -7.777 -3.803 1.00 0.00 N ATOM 75 CA ALA A 6 3.551 -8.527 -4.858 1.00 0.00 C ATOM 76 C ALA A 6 4.410 -9.647 -5.431 1.00 0.00 C ATOM 77 O ALA A 6 3.880 -10.633 -5.935 1.00 0.00 O ATOM 78 CB ALA A 6 3.134 -7.581 -5.963 1.00 0.00 C ATOM 0 H ALA A 6 4.464 -6.823 -4.066 1.00 0.00 H new ATOM 0 HA ALA A 6 2.677 -9.001 -4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.634 -8.142 -6.753 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.451 -6.832 -5.562 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.016 -7.087 -6.371 1.00 0.00 H new ATOM 84 N ASN A 7 5.725 -9.510 -5.349 1.00 0.00 N ATOM 85 CA ASN A 7 6.620 -10.533 -5.893 1.00 0.00 C ATOM 86 C ASN A 7 6.542 -11.813 -5.079 1.00 0.00 C ATOM 87 O ASN A 7 6.896 -12.890 -5.559 1.00 0.00 O ATOM 88 CB ASN A 7 8.071 -10.041 -5.951 1.00 0.00 C ATOM 89 CG ASN A 7 8.312 -9.027 -7.053 1.00 0.00 C ATOM 90 OD1 ASN A 7 7.440 -8.223 -7.383 1.00 0.00 O ATOM 91 ND2 ASN A 7 9.498 -9.066 -7.635 1.00 0.00 N ATOM 0 H ASN A 7 6.196 -8.714 -4.918 1.00 0.00 H new ATOM 0 HA ASN A 7 6.288 -10.740 -6.910 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.336 -9.596 -4.992 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.732 -10.895 -6.100 1.00 0.00 H new ATOM 0 HD21 ASN A 7 9.718 -8.414 -8.388 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.193 -9.748 -7.331 1.00 0.00 H new ATOM 97 N SER A 8 6.065 -11.696 -3.849 1.00 0.00 N ATOM 98 CA SER A 8 5.943 -12.845 -2.974 1.00 0.00 C ATOM 99 C SER A 8 4.490 -13.061 -2.557 1.00 0.00 C ATOM 100 O SER A 8 4.202 -13.886 -1.689 1.00 0.00 O ATOM 101 CB SER A 8 6.818 -12.640 -1.739 1.00 0.00 C ATOM 102 OG SER A 8 8.151 -12.321 -2.102 1.00 0.00 O ATOM 0 H SER A 8 5.757 -10.815 -3.437 1.00 0.00 H new ATOM 0 HA SER A 8 6.275 -13.732 -3.514 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.404 -11.840 -1.126 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.811 -13.544 -1.131 1.00 0.00 H new ATOM 0 HG SER A 8 8.689 -12.193 -1.293 1.00 0.00 H new ATOM 107 N CYS A 9 3.575 -12.334 -3.191 1.00 0.00 N ATOM 108 CA CYS A 9 2.158 -12.441 -2.866 1.00 0.00 C ATOM 109 C CYS A 9 1.334 -12.805 -4.089 1.00 0.00 C ATOM 110 O CYS A 9 1.651 -12.406 -5.208 1.00 0.00 O ATOM 111 CB CYS A 9 1.633 -11.132 -2.268 1.00 0.00 C ATOM 112 SG CYS A 9 1.095 -11.275 -0.529 1.00 0.00 S ATOM 0 H CYS A 9 3.790 -11.666 -3.931 1.00 0.00 H new ATOM 0 HA CYS A 9 2.058 -13.237 -2.128 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.414 -10.375 -2.335 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.795 -10.780 -2.869 1.00 0.00 H new ATOM 116 N THR A 10 0.276 -13.569 -3.864 1.00 0.00 N ATOM 117 CA THR A 10 -0.612 -13.987 -4.931 1.00 0.00 C ATOM 118 C THR A 10 -2.067 -13.809 -4.519 1.00 0.00 C ATOM 119 O THR A 10 -2.401 -13.932 -3.338 1.00 0.00 O ATOM 120 CB THR A 10 -0.358 -15.456 -5.317 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.226 -16.262 -4.135 1.00 0.00 O ATOM 122 CG2 THR A 10 0.894 -15.585 -6.168 1.00 0.00 C ATOM 0 H THR A 10 0.012 -13.914 -2.941 1.00 0.00 H new ATOM 0 HA THR A 10 -0.408 -13.358 -5.798 1.00 0.00 H new ATOM 0 HB THR A 10 -1.210 -15.806 -5.900 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.066 -17.194 -4.391 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.051 -16.632 -6.427 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.776 -14.999 -7.080 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.754 -15.217 -5.608 1.00 0.00 H new ATOM 130 N GLY A 11 -2.919 -13.498 -5.490 1.00 0.00 N ATOM 131 CA GLY A 11 -4.333 -13.310 -5.220 1.00 0.00 C ATOM 132 C GLY A 11 -4.592 -12.175 -4.251 1.00 0.00 C ATOM 133 O GLY A 11 -5.213 -12.370 -3.205 1.00 0.00 O ATOM 0 H GLY A 11 -2.653 -13.372 -6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.855 -13.111 -6.156 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.748 -14.232 -4.814 1.00 0.00 H new ATOM 137 N VAL A 12 -4.112 -10.989 -4.598 1.00 0.00 N ATOM 138 CA VAL A 12 -4.284 -9.816 -3.753 1.00 0.00 C ATOM 139 C VAL A 12 -5.439 -8.946 -4.236 1.00 0.00 C ATOM 140 O VAL A 12 -5.541 -8.623 -5.422 1.00 0.00 O ATOM 141 CB VAL A 12 -2.992 -8.972 -3.686 1.00 0.00 C ATOM 142 CG1 VAL A 12 -1.949 -9.665 -2.825 1.00 0.00 C ATOM 143 CG2 VAL A 12 -2.442 -8.714 -5.079 1.00 0.00 C ATOM 0 H VAL A 12 -3.599 -10.814 -5.462 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.515 -10.181 -2.752 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.236 -8.012 -3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.045 -9.057 -2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.339 -9.796 -1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.714 -10.640 -3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.532 -8.118 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.216 -9.664 -5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.183 -8.174 -5.669 1.00 0.00 H new ATOM 153 N GLU A 13 -6.314 -8.586 -3.309 1.00 0.00 N ATOM 154 CA GLU A 13 -7.464 -7.746 -3.622 1.00 0.00 C ATOM 155 C GLU A 13 -7.529 -6.552 -2.677 1.00 0.00 C ATOM 156 O GLU A 13 -7.050 -6.620 -1.542 1.00 0.00 O ATOM 157 CB GLU A 13 -8.768 -8.540 -3.535 1.00 0.00 C ATOM 158 CG GLU A 13 -8.855 -9.699 -4.513 1.00 0.00 C ATOM 159 CD GLU A 13 -10.256 -10.261 -4.605 1.00 0.00 C ATOM 160 OE1 GLU A 13 -10.694 -10.942 -3.659 1.00 0.00 O ATOM 161 OE2 GLU A 13 -10.933 -10.012 -5.624 1.00 0.00 O ATOM 0 H GLU A 13 -6.250 -8.863 -2.329 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.342 -7.388 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.880 -8.925 -2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.605 -7.865 -3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.533 -9.365 -5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.168 -10.487 -4.203 1.00 0.00 H new ATOM 166 N LEU A 14 -8.125 -5.466 -3.153 1.00 0.00 N ATOM 167 CA LEU A 14 -8.254 -4.249 -2.367 1.00 0.00 C ATOM 168 C LEU A 14 -9.714 -3.972 -2.034 1.00 0.00 C ATOM 169 O LEU A 14 -10.519 -3.695 -2.920 1.00 0.00 O ATOM 170 CB LEU A 14 -7.644 -3.068 -3.133 1.00 0.00 C ATOM 171 CG LEU A 14 -7.783 -1.686 -2.478 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.452 -1.736 -0.995 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.877 -0.700 -3.171 1.00 0.00 C ATOM 0 H LEU A 14 -8.529 -5.405 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.714 -4.380 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.584 -3.270 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.104 -3.026 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.821 -1.368 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.561 -0.741 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.132 -2.425 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.426 -2.078 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.979 0.279 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.843 -1.036 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.153 -0.630 -4.223 1.00 0.00 H new ATOM 184 N TYR A 15 -10.048 -4.054 -0.755 1.00 0.00 N ATOM 185 CA TYR A 15 -11.411 -3.803 -0.308 1.00 0.00 C ATOM 186 C TYR A 15 -11.479 -2.474 0.437 1.00 0.00 C ATOM 187 O TYR A 15 -11.130 -2.405 1.614 1.00 0.00 O ATOM 188 CB TYR A 15 -11.892 -4.919 0.626 1.00 0.00 C ATOM 189 CG TYR A 15 -11.604 -6.325 0.144 1.00 0.00 C ATOM 190 CD1 TYR A 15 -12.342 -6.900 -0.882 1.00 0.00 C ATOM 191 CD2 TYR A 15 -10.607 -7.085 0.741 1.00 0.00 C ATOM 192 CE1 TYR A 15 -12.093 -8.197 -1.298 1.00 0.00 C ATOM 193 CE2 TYR A 15 -10.349 -8.376 0.327 1.00 0.00 C ATOM 194 CZ TYR A 15 -11.094 -8.929 -0.691 1.00 0.00 C ATOM 195 OH TYR A 15 -10.849 -10.227 -1.089 1.00 0.00 O ATOM 0 H TYR A 15 -9.395 -4.292 -0.008 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.054 -3.771 -1.188 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.425 -4.783 1.601 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -12.967 -4.813 0.770 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -13.121 -6.327 -1.362 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.023 -6.658 1.543 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -12.678 -8.633 -2.094 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -9.566 -8.950 0.799 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.738 -10.255 -2.062 1.00 0.00 H new ATOM 204 N GLY A 16 -11.910 -1.422 -0.244 1.00 0.00 N ATOM 205 CA GLY A 16 -12.016 -0.115 0.390 1.00 0.00 C ATOM 206 C GLY A 16 -10.664 0.535 0.647 1.00 0.00 C ATOM 207 O GLY A 16 -10.347 1.569 0.069 1.00 0.00 O ATOM 0 H GLY A 16 -12.189 -1.446 -1.225 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.614 0.542 -0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.548 -0.218 1.336 1.00 0.00 H new ATOM 211 N TYR A 17 -9.878 -0.074 1.521 1.00 0.00 N ATOM 212 CA TYR A 17 -8.552 0.424 1.871 1.00 0.00 C ATOM 213 C TYR A 17 -7.705 -0.672 2.520 1.00 0.00 C ATOM 214 O TYR A 17 -6.715 -0.383 3.199 1.00 0.00 O ATOM 215 CB TYR A 17 -8.646 1.639 2.805 1.00 0.00 C ATOM 216 CG TYR A 17 -9.675 1.506 3.912 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.510 0.585 4.942 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.813 2.305 3.928 1.00 0.00 C ATOM 219 CE1 TYR A 17 -10.446 0.464 5.950 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.753 2.189 4.934 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.566 1.268 5.943 1.00 0.00 C ATOM 222 OH TYR A 17 -12.498 1.150 6.946 1.00 0.00 O ATOM 0 H TYR A 17 -10.140 -0.930 2.010 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.066 0.735 0.946 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.668 1.812 3.255 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.884 2.521 2.210 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.634 -0.047 4.953 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.965 3.029 3.141 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.301 -0.257 6.741 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.631 2.818 4.930 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.225 1.789 6.794 1.00 0.00 H new ATOM 231 N ILE A 18 -8.102 -1.927 2.326 1.00 0.00 N ATOM 232 CA ILE A 18 -7.366 -3.055 2.879 1.00 0.00 C ATOM 233 C ILE A 18 -6.933 -4.000 1.765 1.00 0.00 C ATOM 234 O ILE A 18 -7.723 -4.340 0.883 1.00 0.00 O ATOM 235 CB ILE A 18 -8.173 -3.837 3.940 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.521 -4.305 3.377 1.00 0.00 C ATOM 237 CG2 ILE A 18 -8.376 -2.986 5.185 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.328 -5.148 4.344 1.00 0.00 C ATOM 0 H ILE A 18 -8.930 -2.186 1.789 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.490 -2.641 3.379 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.601 -4.724 4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.108 -3.432 3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.345 -4.880 2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.946 -3.551 5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.406 -2.717 5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.921 -2.080 4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.267 -5.441 3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.761 -6.040 4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.537 -4.570 5.244 1.00 0.00 H new ATOM 249 N LEU A 19 -5.675 -4.402 1.803 1.00 0.00 N ATOM 250 CA LEU A 19 -5.111 -5.292 0.805 1.00 0.00 C ATOM 251 C LEU A 19 -4.873 -6.657 1.414 1.00 0.00 C ATOM 252 O LEU A 19 -4.085 -6.790 2.345 1.00 0.00 O ATOM 253 CB LEU A 19 -3.778 -4.733 0.301 1.00 0.00 C ATOM 254 CG LEU A 19 -3.602 -4.700 -1.212 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.714 -6.093 -1.806 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.623 -3.769 -1.823 1.00 0.00 C ATOM 0 H LEU A 19 -5.015 -4.120 2.528 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.810 -5.376 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.663 -3.719 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.971 -5.328 0.729 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.603 -4.327 -1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.584 -6.039 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.942 -6.734 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.696 -6.508 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.494 -3.748 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.626 -4.122 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.486 -2.765 -1.422 1.00 0.00 H new ATOM 267 N ARG A 20 -5.549 -7.666 0.913 1.00 0.00 N ATOM 268 CA ARG A 20 -5.360 -8.999 1.438 1.00 0.00 C ATOM 269 C ARG A 20 -4.916 -9.934 0.335 1.00 0.00 C ATOM 270 O ARG A 20 -5.367 -9.819 -0.806 1.00 0.00 O ATOM 271 CB ARG A 20 -6.628 -9.527 2.103 1.00 0.00 C ATOM 272 CG ARG A 20 -6.390 -10.822 2.861 1.00 0.00 C ATOM 273 CD ARG A 20 -6.937 -12.035 2.121 1.00 0.00 C ATOM 274 NE ARG A 20 -8.365 -11.919 1.832 1.00 0.00 N ATOM 275 CZ ARG A 20 -9.085 -12.882 1.257 1.00 0.00 C ATOM 276 NH1 ARG A 20 -8.532 -14.061 0.998 1.00 0.00 N ATOM 277 NH2 ARG A 20 -10.362 -12.674 0.962 1.00 0.00 N ATOM 0 H ARG A 20 -6.226 -7.592 0.153 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.583 -8.951 2.201 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.015 -8.774 2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.393 -9.689 1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.320 -10.952 3.026 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.859 -10.757 3.843 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.390 -12.163 1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.762 -12.930 2.718 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.838 -11.051 2.085 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.555 -14.230 1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.084 -14.797 0.558 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.795 -11.775 1.175 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.911 -13.413 0.522 1.00 0.00 H new ATOM 288 N GLY A 21 -4.024 -10.843 0.676 1.00 0.00 N ATOM 289 CA GLY A 21 -3.530 -11.787 -0.294 1.00 0.00 C ATOM 290 C GLY A 21 -2.743 -12.905 0.341 1.00 0.00 C ATOM 291 O GLY A 21 -2.656 -12.997 1.567 1.00 0.00 O ATOM 0 H GLY A 21 -3.632 -10.944 1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.369 -12.207 -0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.900 -11.267 -1.015 1.00 0.00 H new ATOM 295 N ASP A 22 -2.165 -13.752 -0.492 1.00 0.00 N ATOM 296 CA ASP A 22 -1.383 -14.882 -0.020 1.00 0.00 C ATOM 297 C ASP A 22 0.096 -14.649 -0.283 1.00 0.00 C ATOM 298 O ASP A 22 0.542 -14.693 -1.427 1.00 0.00 O ATOM 299 CB ASP A 22 -1.833 -16.163 -0.722 1.00 0.00 C ATOM 300 CG ASP A 22 -3.299 -16.474 -0.493 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.668 -16.839 0.643 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.095 -16.345 -1.449 1.00 0.00 O ATOM 0 H ASP A 22 -2.223 -13.678 -1.508 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.540 -14.986 1.054 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.649 -16.069 -1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.229 -16.998 -0.367 1.00 0.00 H new ATOM 306 N CYS A 23 0.857 -14.415 0.775 1.00 0.00 N ATOM 307 CA CYS A 23 2.289 -14.178 0.639 1.00 0.00 C ATOM 308 C CYS A 23 3.066 -15.402 1.104 1.00 0.00 C ATOM 309 O CYS A 23 2.824 -15.932 2.183 1.00 0.00 O ATOM 310 CB CYS A 23 2.709 -12.952 1.455 1.00 0.00 C ATOM 311 SG CYS A 23 2.834 -11.396 0.506 1.00 0.00 S ATOM 0 H CYS A 23 0.511 -14.384 1.734 1.00 0.00 H new ATOM 0 HA CYS A 23 2.512 -13.991 -0.411 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.992 -12.810 2.264 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.675 -13.156 1.918 1.00 0.00 H new ATOM 315 N ILE A 24 4.021 -15.825 0.294 1.00 0.00 N ATOM 316 CA ILE A 24 4.826 -17.001 0.593 1.00 0.00 C ATOM 317 C ILE A 24 5.774 -16.745 1.759 1.00 0.00 C ATOM 318 O ILE A 24 6.369 -15.673 1.869 1.00 0.00 O ATOM 319 CB ILE A 24 5.640 -17.436 -0.645 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.701 -17.734 -1.817 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.506 -18.644 -0.331 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.410 -18.182 -3.076 1.00 0.00 C ATOM 0 H ILE A 24 4.261 -15.367 -0.585 1.00 0.00 H new ATOM 0 HA ILE A 24 4.139 -17.800 0.872 1.00 0.00 H new ATOM 0 HB ILE A 24 6.301 -16.616 -0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.995 -18.507 -1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.119 -16.840 -2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.069 -18.929 -1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.199 -18.396 0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.873 -19.475 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.676 -18.373 -3.859 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.096 -17.401 -3.405 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.970 -19.095 -2.873 1.00 0.00 H new ATOM 333 N ASN A 25 5.891 -17.725 2.641 1.00 0.00 N ATOM 334 CA ASN A 25 6.778 -17.606 3.783 1.00 0.00 C ATOM 335 C ASN A 25 8.058 -18.398 3.531 1.00 0.00 C ATOM 336 O ASN A 25 8.253 -18.932 2.439 1.00 0.00 O ATOM 337 CB ASN A 25 6.081 -18.076 5.071 1.00 0.00 C ATOM 338 CG ASN A 25 6.060 -19.579 5.238 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.934 -20.151 5.886 1.00 0.00 O ATOM 340 ND2 ASN A 25 5.071 -20.225 4.651 1.00 0.00 N ATOM 0 H ASN A 25 5.384 -18.608 2.587 1.00 0.00 H new ATOM 0 HA ASN A 25 7.039 -16.556 3.916 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.585 -17.631 5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.056 -17.705 5.075 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.010 -21.240 4.725 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.367 -19.709 4.123 1.00 0.00 H new ATOM 346 N GLU A 26 8.918 -18.479 4.537 1.00 0.00 N ATOM 347 CA GLU A 26 10.187 -19.197 4.426 1.00 0.00 C ATOM 348 C GLU A 26 9.989 -20.640 3.946 1.00 0.00 C ATOM 349 O GLU A 26 10.779 -21.165 3.158 1.00 0.00 O ATOM 350 CB GLU A 26 10.876 -19.204 5.785 1.00 0.00 C ATOM 351 CG GLU A 26 12.206 -19.927 5.777 1.00 0.00 C ATOM 352 CD GLU A 26 13.253 -19.198 4.957 1.00 0.00 C ATOM 353 OE1 GLU A 26 13.916 -18.293 5.502 1.00 0.00 O ATOM 354 OE2 GLU A 26 13.412 -19.518 3.763 1.00 0.00 O ATOM 0 H GLU A 26 8.760 -18.052 5.450 1.00 0.00 H new ATOM 0 HA GLU A 26 10.802 -18.684 3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.031 -18.176 6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.218 -19.675 6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.563 -20.038 6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.069 -20.931 5.376 1.00 0.00 H new ATOM 359 N ASP A 27 8.920 -21.258 4.419 1.00 0.00 N ATOM 360 CA ASP A 27 8.591 -22.641 4.080 1.00 0.00 C ATOM 361 C ASP A 27 8.373 -22.828 2.582 1.00 0.00 C ATOM 362 O ASP A 27 8.546 -23.925 2.054 1.00 0.00 O ATOM 363 CB ASP A 27 7.345 -23.068 4.847 1.00 0.00 C ATOM 364 CG ASP A 27 7.015 -24.538 4.680 1.00 0.00 C ATOM 365 OD1 ASP A 27 7.791 -25.384 5.173 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.973 -24.853 4.066 1.00 0.00 O ATOM 0 H ASP A 27 8.251 -20.818 5.051 1.00 0.00 H new ATOM 0 HA ASP A 27 9.437 -23.267 4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.486 -22.852 5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.497 -22.471 4.511 1.00 0.00 H new ATOM 370 N GLY A 28 7.998 -21.759 1.897 1.00 0.00 N ATOM 371 CA GLY A 28 7.772 -21.850 0.469 1.00 0.00 C ATOM 372 C GLY A 28 6.302 -21.905 0.116 1.00 0.00 C ATOM 373 O GLY A 28 5.935 -21.904 -1.056 1.00 0.00 O ATOM 0 H GLY A 28 7.847 -20.835 2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.228 -20.991 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.269 -22.740 0.082 1.00 0.00 H new ATOM 377 N HIS A 29 5.457 -21.944 1.130 1.00 0.00 N ATOM 378 CA HIS A 29 4.021 -21.988 0.912 1.00 0.00 C ATOM 379 C HIS A 29 3.395 -20.633 1.222 1.00 0.00 C ATOM 380 O HIS A 29 3.809 -19.944 2.158 1.00 0.00 O ATOM 381 CB HIS A 29 3.381 -23.092 1.757 1.00 0.00 C ATOM 382 CG HIS A 29 3.577 -24.468 1.187 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.782 -24.991 0.187 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.480 -25.434 1.482 1.00 0.00 C ATOM 385 CE1 HIS A 29 3.189 -26.211 -0.106 1.00 0.00 C ATOM 386 NE2 HIS A 29 4.216 -26.504 0.663 1.00 0.00 N ATOM 0 H HIS A 29 5.738 -21.946 2.110 1.00 0.00 H new ATOM 0 HA HIS A 29 3.836 -22.217 -0.137 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.801 -23.060 2.762 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.313 -22.894 1.851 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.263 -25.374 2.224 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.753 -26.860 -0.851 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.732 -27.384 0.652 1.00 0.00 H new ATOM 394 N PRO A 30 2.417 -20.219 0.403 1.00 0.00 N ATOM 395 CA PRO A 30 1.720 -18.939 0.571 1.00 0.00 C ATOM 396 C PRO A 30 0.851 -18.894 1.827 1.00 0.00 C ATOM 397 O PRO A 30 0.106 -19.829 2.123 1.00 0.00 O ATOM 398 CB PRO A 30 0.853 -18.833 -0.686 1.00 0.00 C ATOM 399 CG PRO A 30 0.668 -20.237 -1.145 1.00 0.00 C ATOM 400 CD PRO A 30 1.924 -20.965 -0.769 1.00 0.00 C ATOM 0 HA PRO A 30 2.423 -18.115 0.692 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.104 -18.360 -0.467 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.339 -18.228 -1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.202 -20.691 -0.671 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.502 -20.277 -2.222 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.725 -22.009 -0.526 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.650 -20.960 -1.582 1.00 0.00 H new ATOM 405 N HIS A 31 0.961 -17.796 2.552 1.00 0.00 N ATOM 406 CA HIS A 31 0.213 -17.577 3.777 1.00 0.00 C ATOM 407 C HIS A 31 -0.658 -16.335 3.629 1.00 0.00 C ATOM 408 O HIS A 31 -0.193 -15.298 3.157 1.00 0.00 O ATOM 409 CB HIS A 31 1.184 -17.409 4.953 1.00 0.00 C ATOM 410 CG HIS A 31 0.517 -17.068 6.253 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.556 -15.808 6.813 1.00 0.00 N ATOM 412 CD2 HIS A 31 -0.197 -17.836 7.110 1.00 0.00 C ATOM 413 CE1 HIS A 31 -0.109 -15.816 7.954 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.577 -17.032 8.155 1.00 0.00 N ATOM 0 H HIS A 31 1.579 -17.023 2.305 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.428 -18.437 3.971 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.750 -18.332 5.078 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.902 -16.626 4.709 1.00 0.00 H new ATOM 0 HD1 HIS A 31 1.025 -14.997 6.409 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.425 -18.885 6.993 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.246 -14.970 8.611 1.00 0.00 H new ATOM 422 N ALA A 32 -1.914 -16.449 4.030 1.00 0.00 N ATOM 423 CA ALA A 32 -2.852 -15.340 3.939 1.00 0.00 C ATOM 424 C ALA A 32 -2.460 -14.205 4.879 1.00 0.00 C ATOM 425 O ALA A 32 -2.267 -14.415 6.077 1.00 0.00 O ATOM 426 CB ALA A 32 -4.263 -15.819 4.248 1.00 0.00 C ATOM 0 H ALA A 32 -2.310 -17.303 4.424 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.822 -14.956 2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.956 -14.980 4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.551 -16.589 3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.295 -16.231 5.257 1.00 0.00 H new ATOM 432 N THR A 33 -2.333 -13.010 4.325 1.00 0.00 N ATOM 433 CA THR A 33 -1.978 -11.832 5.098 1.00 0.00 C ATOM 434 C THR A 33 -2.735 -10.623 4.561 1.00 0.00 C ATOM 435 O THR A 33 -3.159 -10.613 3.404 1.00 0.00 O ATOM 436 CB THR A 33 -0.451 -11.576 5.066 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.109 -10.458 5.898 1.00 0.00 O ATOM 438 CG2 THR A 33 0.032 -11.314 3.647 1.00 0.00 C ATOM 0 H THR A 33 -2.473 -12.830 3.331 1.00 0.00 H new ATOM 0 HA THR A 33 -2.259 -12.002 6.137 1.00 0.00 H new ATOM 0 HB THR A 33 0.040 -12.473 5.445 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.231 -10.782 6.758 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.108 -11.138 3.656 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.189 -12.179 3.022 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.476 -10.437 3.246 1.00 0.00 H new ATOM 446 N SER A 34 -2.920 -9.619 5.399 1.00 0.00 N ATOM 447 CA SER A 34 -3.640 -8.428 4.998 1.00 0.00 C ATOM 448 C SER A 34 -2.939 -7.174 5.486 1.00 0.00 C ATOM 449 O SER A 34 -2.244 -7.192 6.503 1.00 0.00 O ATOM 450 CB SER A 34 -5.061 -8.481 5.538 1.00 0.00 C ATOM 451 OG SER A 34 -5.073 -8.801 6.920 1.00 0.00 O ATOM 0 H SER A 34 -2.581 -9.606 6.361 1.00 0.00 H new ATOM 0 HA SER A 34 -3.668 -8.393 3.909 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.549 -7.519 5.381 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.636 -9.224 4.985 1.00 0.00 H new ATOM 0 HG SER A 34 -5.998 -8.827 7.242 1.00 0.00 H new ATOM 456 N ILE A 35 -3.115 -6.092 4.745 1.00 0.00 N ATOM 457 CA ILE A 35 -2.508 -4.821 5.092 1.00 0.00 C ATOM 458 C ILE A 35 -3.529 -3.700 4.970 1.00 0.00 C ATOM 459 O ILE A 35 -4.377 -3.715 4.080 1.00 0.00 O ATOM 460 CB ILE A 35 -1.300 -4.469 4.186 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.378 -5.670 3.979 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.509 -3.313 4.778 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.682 -6.468 2.727 1.00 0.00 C ATOM 0 H ILE A 35 -3.677 -6.071 3.894 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.155 -4.921 6.119 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.699 -4.176 3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.653 -5.320 3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.454 -6.328 4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.335 -3.080 4.129 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.153 -2.438 4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.141 -3.592 5.765 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.014 -7.303 2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.702 -6.849 2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.577 -5.826 1.852 1.00 0.00 H new ATOM 474 N ASN A 36 -3.451 -2.731 5.859 1.00 0.00 N ATOM 475 CA ASN A 36 -4.364 -1.600 5.830 1.00 0.00 C ATOM 476 C ASN A 36 -3.671 -0.406 5.175 1.00 0.00 C ATOM 477 O ASN A 36 -2.993 0.368 5.847 1.00 0.00 O ATOM 478 CB ASN A 36 -4.811 -1.234 7.249 1.00 0.00 C ATOM 479 CG ASN A 36 -6.192 -0.600 7.299 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.869 -0.657 8.322 1.00 0.00 O ATOM 481 ND2 ASN A 36 -6.644 -0.025 6.193 1.00 0.00 N ATOM 0 H ASN A 36 -2.765 -2.701 6.613 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.247 -1.871 5.251 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.808 -2.132 7.866 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.087 -0.546 7.685 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.578 0.385 6.177 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.058 0.007 5.359 1.00 0.00 H new ATOM 487 N LEU A 37 -3.866 -0.253 3.865 1.00 0.00 N ATOM 488 CA LEU A 37 -3.236 0.832 3.103 1.00 0.00 C ATOM 489 C LEU A 37 -3.609 2.193 3.668 1.00 0.00 C ATOM 490 O LEU A 37 -2.841 3.146 3.567 1.00 0.00 O ATOM 491 CB LEU A 37 -3.641 0.807 1.622 1.00 0.00 C ATOM 492 CG LEU A 37 -3.376 -0.483 0.843 1.00 0.00 C ATOM 493 CD1 LEU A 37 -2.053 -1.115 1.241 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.521 -1.456 1.029 1.00 0.00 C ATOM 0 H LEU A 37 -4.457 -0.868 3.305 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.161 0.672 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.707 1.025 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.120 1.620 1.116 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.307 -0.228 -0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.899 -2.029 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.241 -0.417 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.069 -1.353 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.318 -2.369 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.627 -1.696 2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.444 -1.005 0.665 1.00 0.00 H new ATOM 505 N ASN A 38 -4.794 2.270 4.261 1.00 0.00 N ATOM 506 CA ASN A 38 -5.298 3.513 4.836 1.00 0.00 C ATOM 507 C ASN A 38 -4.299 4.138 5.810 1.00 0.00 C ATOM 508 O ASN A 38 -4.253 5.353 5.960 1.00 0.00 O ATOM 509 CB ASN A 38 -6.627 3.258 5.556 1.00 0.00 C ATOM 510 CG ASN A 38 -7.318 4.530 6.015 1.00 0.00 C ATOM 511 OD1 ASN A 38 -7.039 5.053 7.093 1.00 0.00 O ATOM 512 ND2 ASN A 38 -8.251 5.019 5.210 1.00 0.00 N ATOM 0 H ASN A 38 -5.430 1.478 4.357 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.450 4.214 4.016 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.294 2.711 4.889 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.447 2.619 6.420 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.766 5.858 5.477 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.453 4.556 4.324 1.00 0.00 H new ATOM 518 N TYR A 39 -3.487 3.311 6.452 1.00 0.00 N ATOM 519 CA TYR A 39 -2.514 3.809 7.414 1.00 0.00 C ATOM 520 C TYR A 39 -1.088 3.710 6.883 1.00 0.00 C ATOM 521 O TYR A 39 -0.131 3.862 7.641 1.00 0.00 O ATOM 522 CB TYR A 39 -2.641 3.042 8.731 1.00 0.00 C ATOM 523 CG TYR A 39 -4.007 3.170 9.366 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.380 4.335 10.023 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.925 2.130 9.303 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.629 4.460 10.600 1.00 0.00 C ATOM 527 CE2 TYR A 39 -6.175 2.247 9.878 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.523 3.413 10.524 1.00 0.00 C ATOM 529 OH TYR A 39 -7.772 3.536 11.093 1.00 0.00 O ATOM 0 H TYR A 39 -3.482 2.299 6.326 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.728 4.864 7.586 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.428 1.988 8.552 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.887 3.405 9.430 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.682 5.157 10.084 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.657 1.215 8.796 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.904 5.373 11.108 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.877 1.428 9.822 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.279 2.710 10.950 1.00 0.00 H new ATOM 538 N TYR A 40 -0.941 3.455 5.588 1.00 0.00 N ATOM 539 CA TYR A 40 0.388 3.344 4.993 1.00 0.00 C ATOM 540 C TYR A 40 0.547 4.218 3.753 1.00 0.00 C ATOM 541 O TYR A 40 1.666 4.533 3.361 1.00 0.00 O ATOM 542 CB TYR A 40 0.724 1.884 4.680 1.00 0.00 C ATOM 543 CG TYR A 40 0.861 1.028 5.921 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.796 1.340 6.901 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.057 -0.086 6.116 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.922 0.568 8.040 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.177 -0.864 7.253 1.00 0.00 C ATOM 548 CZ TYR A 40 1.111 -0.533 8.212 1.00 0.00 C ATOM 549 OH TYR A 40 1.233 -1.302 9.348 1.00 0.00 O ATOM 0 H TYR A 40 -1.714 3.322 4.936 1.00 0.00 H new ATOM 0 HA TYR A 40 1.099 3.714 5.732 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.055 1.467 4.042 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.655 1.845 4.114 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.435 2.201 6.770 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.675 -0.350 5.367 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.653 0.826 8.792 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.458 -1.727 7.389 1.00 0.00 H new ATOM 0 HH TYR A 40 0.588 -2.039 9.315 1.00 0.00 H new ATOM 558 N ILE A 41 -0.560 4.612 3.144 1.00 0.00 N ATOM 559 CA ILE A 41 -0.522 5.470 1.966 1.00 0.00 C ATOM 560 C ILE A 41 -1.128 6.824 2.302 1.00 0.00 C ATOM 561 O ILE A 41 -2.101 6.905 3.058 1.00 0.00 O ATOM 562 CB ILE A 41 -1.279 4.849 0.767 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.443 3.773 0.072 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.682 5.916 -0.240 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.380 2.468 0.817 1.00 0.00 C ATOM 0 H ILE A 41 -1.499 4.352 3.445 1.00 0.00 H new ATOM 0 HA ILE A 41 0.522 5.584 1.675 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.180 4.383 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.855 3.593 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.571 4.149 -0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.212 5.450 -1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.333 6.645 0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.790 6.418 -0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.231 1.759 0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.061 2.631 1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.387 2.066 0.933 1.00 0.00 H new ATOM 576 N GLY A 42 -0.552 7.885 1.758 1.00 0.00 N ATOM 577 CA GLY A 42 -1.057 9.208 2.041 1.00 0.00 C ATOM 578 C GLY A 42 -1.655 9.889 0.833 1.00 0.00 C ATOM 579 O GLY A 42 -1.457 9.456 -0.304 1.00 0.00 O ATOM 0 H GLY A 42 0.251 7.853 1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.813 9.141 2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.247 9.823 2.432 1.00 0.00 H new ATOM 583 N ASN A 43 -2.379 10.963 1.095 1.00 0.00 N ATOM 584 CA ASN A 43 -3.043 11.731 0.050 1.00 0.00 C ATOM 585 C ASN A 43 -2.374 13.088 -0.133 1.00 0.00 C ATOM 586 O ASN A 43 -2.432 13.945 0.750 1.00 0.00 O ATOM 587 CB ASN A 43 -4.526 11.915 0.398 1.00 0.00 C ATOM 588 CG ASN A 43 -5.255 12.862 -0.542 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.906 12.997 -1.715 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.281 13.522 -0.030 1.00 0.00 N ATOM 0 H ASN A 43 -2.525 11.329 2.036 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.961 11.181 -0.888 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.019 10.943 0.377 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.608 12.292 1.417 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.813 14.169 -0.612 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.540 13.384 0.947 1.00 0.00 H new ATOM 596 N ASP A 44 -1.716 13.268 -1.266 1.00 0.00 N ATOM 597 CA ASP A 44 -1.046 14.526 -1.567 1.00 0.00 C ATOM 598 C ASP A 44 -1.759 15.258 -2.696 1.00 0.00 C ATOM 599 O ASP A 44 -1.660 14.857 -3.854 1.00 0.00 O ATOM 600 CB ASP A 44 0.417 14.277 -1.955 1.00 0.00 C ATOM 601 CG ASP A 44 1.119 15.541 -2.418 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.454 16.383 -1.562 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.348 15.694 -3.637 1.00 0.00 O ATOM 0 H ASP A 44 -1.630 12.559 -1.994 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.075 15.146 -0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.950 13.861 -1.100 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.457 13.531 -2.749 1.00 0.00 H new ATOM 607 N ASN A 45 -2.488 16.316 -2.346 1.00 0.00 N ATOM 608 CA ASN A 45 -3.205 17.137 -3.321 1.00 0.00 C ATOM 609 C ASN A 45 -4.105 16.285 -4.212 1.00 0.00 C ATOM 610 O ASN A 45 -4.171 16.486 -5.428 1.00 0.00 O ATOM 611 CB ASN A 45 -2.196 17.900 -4.178 1.00 0.00 C ATOM 612 CG ASN A 45 -2.727 19.207 -4.721 1.00 0.00 C ATOM 613 OD1 ASN A 45 -3.402 19.956 -4.018 1.00 0.00 O ATOM 614 ND2 ASN A 45 -2.424 19.488 -5.977 1.00 0.00 N ATOM 0 H ASN A 45 -2.598 16.628 -1.381 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.840 17.839 -2.780 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.304 18.099 -3.583 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.889 17.268 -5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.754 20.356 -6.399 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.861 18.837 -6.524 1.00 0.00 H new ATOM 620 N GLY A 46 -4.790 15.327 -3.607 1.00 0.00 N ATOM 621 CA GLY A 46 -5.676 14.463 -4.359 1.00 0.00 C ATOM 622 C GLY A 46 -4.941 13.375 -5.124 1.00 0.00 C ATOM 623 O GLY A 46 -5.492 12.780 -6.049 1.00 0.00 O ATOM 0 H GLY A 46 -4.748 15.132 -2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.388 14.000 -3.676 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.252 15.066 -5.061 1.00 0.00 H new ATOM 627 N ARG A 47 -3.700 13.119 -4.746 1.00 0.00 N ATOM 628 CA ARG A 47 -2.890 12.100 -5.401 1.00 0.00 C ATOM 629 C ARG A 47 -2.372 11.090 -4.391 1.00 0.00 C ATOM 630 O ARG A 47 -2.221 11.397 -3.209 1.00 0.00 O ATOM 631 CB ARG A 47 -1.710 12.739 -6.133 1.00 0.00 C ATOM 632 CG ARG A 47 -1.782 12.623 -7.648 1.00 0.00 C ATOM 633 CD ARG A 47 -3.070 13.210 -8.193 1.00 0.00 C ATOM 634 NE ARG A 47 -3.235 14.609 -7.799 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.425 15.605 -8.659 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.569 15.354 -9.954 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.499 16.853 -8.212 1.00 0.00 N ATOM 0 H ARG A 47 -3.227 13.605 -3.984 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.523 11.585 -6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.656 13.793 -5.862 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.787 12.274 -5.787 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.930 13.137 -8.094 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.709 11.575 -7.937 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.073 13.135 -9.280 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.917 12.627 -7.831 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.202 14.834 -6.805 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.534 14.393 -10.294 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.715 16.122 -10.609 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.410 17.043 -7.214 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.645 17.621 -8.867 1.00 0.00 H new ATOM 648 N LEU A 48 -2.092 9.893 -4.871 1.00 0.00 N ATOM 649 CA LEU A 48 -1.591 8.823 -4.025 1.00 0.00 C ATOM 650 C LEU A 48 -0.092 8.952 -3.812 1.00 0.00 C ATOM 651 O LEU A 48 0.680 8.995 -4.771 1.00 0.00 O ATOM 652 CB LEU A 48 -1.907 7.470 -4.664 1.00 0.00 C ATOM 653 CG LEU A 48 -3.363 7.272 -5.066 1.00 0.00 C ATOM 654 CD1 LEU A 48 -3.586 5.859 -5.564 1.00 0.00 C ATOM 655 CD2 LEU A 48 -4.272 7.584 -3.895 1.00 0.00 C ATOM 0 H LEU A 48 -2.204 9.635 -5.851 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.082 8.895 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.282 7.348 -5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.628 6.681 -3.965 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.602 7.957 -5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.631 5.734 -5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.951 5.674 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.337 5.151 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.311 7.440 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.036 6.919 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.124 8.618 -3.585 1.00 0.00 H new ATOM 666 N GLU A 49 0.306 9.031 -2.555 1.00 0.00 N ATOM 667 CA GLU A 49 1.709 9.129 -2.188 1.00 0.00 C ATOM 668 C GLU A 49 2.110 7.850 -1.469 1.00 0.00 C ATOM 669 O GLU A 49 1.320 7.340 -0.668 1.00 0.00 O ATOM 670 CB GLU A 49 1.934 10.356 -1.296 1.00 0.00 C ATOM 671 CG GLU A 49 3.368 10.524 -0.823 1.00 0.00 C ATOM 672 CD GLU A 49 4.330 10.766 -1.965 1.00 0.00 C ATOM 673 OE1 GLU A 49 4.657 9.804 -2.678 1.00 0.00 O ATOM 674 OE2 GLU A 49 4.763 11.923 -2.156 1.00 0.00 O ATOM 0 H GLU A 49 -0.333 9.029 -1.760 1.00 0.00 H new ATOM 0 HA GLU A 49 2.325 9.249 -3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.636 11.250 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.282 10.284 -0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.421 11.359 -0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.674 9.632 -0.277 1.00 0.00 H new ATOM 679 N TYR A 50 3.307 7.326 -1.776 1.00 0.00 N ATOM 680 CA TYR A 50 3.799 6.089 -1.174 1.00 0.00 C ATOM 681 C TYR A 50 3.512 5.990 0.226 1.00 0.00 C ATOM 682 O TYR A 50 2.618 5.222 0.582 1.00 0.00 O ATOM 683 CB TYR A 50 5.283 5.776 -1.432 1.00 0.00 C ATOM 684 CG TYR A 50 6.083 6.788 -2.242 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.743 7.099 -3.551 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.199 7.421 -1.695 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.480 8.005 -4.289 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.939 8.327 -2.428 1.00 0.00 C ATOM 689 CZ TYR A 50 7.576 8.617 -3.722 1.00 0.00 C ATOM 690 OH TYR A 50 8.306 9.527 -4.450 1.00 0.00 O ATOM 0 H TYR A 50 3.952 7.748 -2.444 1.00 0.00 H new ATOM 0 HA TYR A 50 3.230 5.325 -1.703 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.774 5.654 -0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.341 4.815 -1.943 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.885 6.623 -4.002 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.490 7.198 -0.679 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.198 8.232 -5.306 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.800 8.806 -1.986 1.00 0.00 H new ATOM 0 HH TYR A 50 9.045 9.866 -3.903 1.00 0.00 H new ATOM 699 N PRO A 51 4.164 6.662 1.093 1.00 0.00 N ATOM 700 CA PRO A 51 3.802 6.414 2.361 1.00 0.00 C ATOM 701 C PRO A 51 3.106 7.576 3.012 1.00 0.00 C ATOM 702 O PRO A 51 3.571 8.720 3.010 1.00 0.00 O ATOM 703 CB PRO A 51 5.120 6.084 2.935 1.00 0.00 C ATOM 704 CG PRO A 51 6.069 7.046 2.258 1.00 0.00 C ATOM 705 CD PRO A 51 5.334 7.528 1.029 1.00 0.00 C ATOM 0 HA PRO A 51 3.055 5.631 2.492 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.127 6.213 4.017 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.393 5.048 2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.323 7.877 2.916 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.004 6.554 1.990 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.076 8.586 1.083 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.910 7.387 0.114 1.00 0.00 H new ATOM 710 N GLY A 52 1.995 7.262 3.564 1.00 0.00 N ATOM 711 CA GLY A 52 1.193 8.263 4.178 1.00 0.00 C ATOM 712 C GLY A 52 0.271 7.717 5.232 1.00 0.00 C ATOM 713 O GLY A 52 0.497 6.629 5.760 1.00 0.00 O ATOM 0 H GLY A 52 1.614 6.317 3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.842 9.015 4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.602 8.767 3.413 1.00 0.00 H new ATOM 717 N GLU A 53 -0.786 8.469 5.510 1.00 0.00 N ATOM 718 CA GLU A 53 -1.772 8.093 6.514 1.00 0.00 C ATOM 719 C GLU A 53 -3.117 8.749 6.219 1.00 0.00 C ATOM 720 O GLU A 53 -3.177 9.914 5.824 1.00 0.00 O ATOM 721 CB GLU A 53 -1.302 8.495 7.920 1.00 0.00 C ATOM 722 CG GLU A 53 -0.173 7.633 8.464 1.00 0.00 C ATOM 723 CD GLU A 53 0.291 8.064 9.839 1.00 0.00 C ATOM 724 OE1 GLU A 53 -0.515 8.009 10.787 1.00 0.00 O ATOM 725 OE2 GLU A 53 1.470 8.460 9.979 1.00 0.00 O ATOM 0 H GLU A 53 -0.984 9.356 5.046 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.887 7.010 6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.974 9.534 7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.149 8.441 8.604 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.504 6.595 8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.670 7.670 7.774 1.00 0.00 H new ATOM 730 N SER A 54 -4.181 7.974 6.394 1.00 0.00 N ATOM 731 CA SER A 54 -5.550 8.427 6.196 1.00 0.00 C ATOM 732 C SER A 54 -5.820 8.954 4.782 1.00 0.00 C ATOM 733 O SER A 54 -6.447 10.001 4.613 1.00 0.00 O ATOM 734 CB SER A 54 -5.894 9.487 7.236 1.00 0.00 C ATOM 735 OG SER A 54 -5.633 9.011 8.548 1.00 0.00 O ATOM 0 H SER A 54 -4.114 6.998 6.682 1.00 0.00 H new ATOM 0 HA SER A 54 -6.194 7.557 6.320 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.311 10.389 7.049 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.945 9.763 7.147 1.00 0.00 H new ATOM 0 HG SER A 54 -5.859 9.707 9.200 1.00 0.00 H new ATOM 740 N PHE A 55 -5.355 8.237 3.765 1.00 0.00 N ATOM 741 CA PHE A 55 -5.608 8.657 2.390 1.00 0.00 C ATOM 742 C PHE A 55 -7.062 8.350 2.028 1.00 0.00 C ATOM 743 O PHE A 55 -7.735 9.151 1.388 1.00 0.00 O ATOM 744 CB PHE A 55 -4.652 7.967 1.397 1.00 0.00 C ATOM 745 CG PHE A 55 -5.038 6.558 1.020 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.777 5.500 1.872 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.666 6.295 -0.191 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.135 4.211 1.527 1.00 0.00 C ATOM 749 CE2 PHE A 55 -6.025 5.005 -0.541 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.758 3.964 0.322 1.00 0.00 C ATOM 0 H PHE A 55 -4.812 7.379 3.861 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.428 9.730 2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.597 8.569 0.490 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.652 7.951 1.829 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.288 5.684 2.817 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.877 7.109 -0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.926 3.395 2.203 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.512 4.815 -1.486 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.037 2.955 0.055 1.00 0.00 H new ATOM 759 N GLY A 56 -7.554 7.211 2.524 1.00 0.00 N ATOM 760 CA GLY A 56 -8.910 6.767 2.233 1.00 0.00 C ATOM 761 C GLY A 56 -9.957 7.743 2.709 1.00 0.00 C ATOM 762 O GLY A 56 -11.098 7.720 2.251 1.00 0.00 O ATOM 0 H GLY A 56 -7.028 6.582 3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.017 6.621 1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.080 5.799 2.705 1.00 0.00 H new ATOM 766 N SER A 57 -9.559 8.607 3.624 1.00 0.00 N ATOM 767 CA SER A 57 -10.438 9.616 4.169 1.00 0.00 C ATOM 768 C SER A 57 -10.862 10.614 3.087 1.00 0.00 C ATOM 769 O SER A 57 -11.897 11.271 3.205 1.00 0.00 O ATOM 770 CB SER A 57 -9.726 10.320 5.320 1.00 0.00 C ATOM 771 OG SER A 57 -9.505 9.421 6.395 1.00 0.00 O ATOM 0 H SER A 57 -8.615 8.626 4.009 1.00 0.00 H new ATOM 0 HA SER A 57 -11.346 9.144 4.543 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.774 10.723 4.974 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.324 11.165 5.662 1.00 0.00 H new ATOM 0 HG SER A 57 -9.194 9.919 7.179 1.00 0.00 H new ATOM 776 N SER A 58 -10.063 10.709 2.028 1.00 0.00 N ATOM 777 CA SER A 58 -10.359 11.615 0.927 1.00 0.00 C ATOM 778 C SER A 58 -10.133 10.926 -0.421 1.00 0.00 C ATOM 779 O SER A 58 -10.014 11.587 -1.453 1.00 0.00 O ATOM 780 CB SER A 58 -9.491 12.875 1.033 1.00 0.00 C ATOM 781 OG SER A 58 -9.665 13.511 2.291 1.00 0.00 O ATOM 0 H SER A 58 -9.206 10.169 1.911 1.00 0.00 H new ATOM 0 HA SER A 58 -11.409 11.902 0.991 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.442 12.610 0.898 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.751 13.568 0.233 1.00 0.00 H new ATOM 0 HG SER A 58 -9.100 14.311 2.334 1.00 0.00 H new ATOM 786 N CYS A 59 -10.092 9.597 -0.414 1.00 0.00 N ATOM 787 CA CYS A 59 -9.874 8.838 -1.637 1.00 0.00 C ATOM 788 C CYS A 59 -10.978 7.815 -1.861 1.00 0.00 C ATOM 789 O CYS A 59 -11.525 7.249 -0.913 1.00 0.00 O ATOM 790 CB CYS A 59 -8.530 8.111 -1.589 1.00 0.00 C ATOM 791 SG CYS A 59 -7.085 9.202 -1.410 1.00 0.00 S ATOM 0 H CYS A 59 -10.207 9.026 0.424 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.878 9.551 -2.461 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.542 7.407 -0.757 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.416 7.525 -2.501 1.00 0.00 H new ATOM 795 N VAL A 60 -11.302 7.603 -3.125 1.00 0.00 N ATOM 796 CA VAL A 60 -12.314 6.637 -3.528 1.00 0.00 C ATOM 797 C VAL A 60 -11.819 5.875 -4.753 1.00 0.00 C ATOM 798 O VAL A 60 -10.739 6.172 -5.263 1.00 0.00 O ATOM 799 CB VAL A 60 -13.665 7.315 -3.852 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.345 7.810 -2.583 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.460 8.462 -4.827 1.00 0.00 C ATOM 0 H VAL A 60 -10.870 8.097 -3.905 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.479 5.955 -2.694 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.315 6.573 -4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.293 8.283 -2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.528 6.968 -1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.701 8.535 -2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.420 8.930 -5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.789 9.199 -4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.023 8.081 -5.750 1.00 0.00 H new ATOM 811 N LYS A 61 -12.601 4.902 -5.218 1.00 0.00 N ATOM 812 CA LYS A 61 -12.236 4.095 -6.384 1.00 0.00 C ATOM 813 C LYS A 61 -10.947 3.310 -6.140 1.00 0.00 C ATOM 814 O LYS A 61 -10.148 3.123 -7.056 1.00 0.00 O ATOM 815 CB LYS A 61 -12.074 4.960 -7.645 1.00 0.00 C ATOM 816 CG LYS A 61 -13.375 5.325 -8.347 1.00 0.00 C ATOM 817 CD LYS A 61 -14.123 6.446 -7.647 1.00 0.00 C ATOM 818 CE LYS A 61 -15.292 6.928 -8.491 1.00 0.00 C ATOM 819 NZ LYS A 61 -16.034 8.040 -7.845 1.00 0.00 N ATOM 0 H LYS A 61 -13.498 4.651 -4.802 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.054 3.393 -6.543 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.556 5.879 -7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.434 4.430 -8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.158 5.623 -9.373 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.015 4.444 -8.399 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.487 6.098 -6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.444 7.276 -7.452 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.924 7.256 -9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.973 6.097 -8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.821 8.334 -8.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.409 7.721 -6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.392 8.845 -7.695 1.00 0.00 H new ATOM 829 N THR A 62 -10.744 2.862 -4.905 1.00 0.00 N ATOM 830 CA THR A 62 -9.552 2.094 -4.564 1.00 0.00 C ATOM 831 C THR A 62 -9.519 0.766 -5.313 1.00 0.00 C ATOM 832 O THR A 62 -10.456 -0.034 -5.231 1.00 0.00 O ATOM 833 CB THR A 62 -9.467 1.818 -3.051 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.750 1.424 -2.551 1.00 0.00 O ATOM 835 CG2 THR A 62 -8.978 3.033 -2.284 1.00 0.00 C ATOM 0 H THR A 62 -11.386 3.017 -4.127 1.00 0.00 H new ATOM 0 HA THR A 62 -8.696 2.699 -4.862 1.00 0.00 H new ATOM 0 HB THR A 62 -8.748 1.012 -2.905 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.812 1.645 -1.598 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.932 2.798 -1.221 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.985 3.311 -2.638 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.665 3.864 -2.442 1.00 0.00 H new ATOM 843 N ALA A 63 -8.439 0.546 -6.047 1.00 0.00 N ATOM 844 CA ALA A 63 -8.254 -0.675 -6.819 1.00 0.00 C ATOM 845 C ALA A 63 -6.770 -0.958 -6.989 1.00 0.00 C ATOM 846 O ALA A 63 -5.964 -0.032 -7.040 1.00 0.00 O ATOM 847 CB ALA A 63 -8.927 -0.557 -8.179 1.00 0.00 C ATOM 0 H ALA A 63 -7.666 1.207 -6.125 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.715 -1.502 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.777 -1.479 -8.740 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.995 -0.384 -8.043 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.492 0.277 -8.729 1.00 0.00 H new ATOM 853 N LEU A 64 -6.407 -2.224 -7.069 1.00 0.00 N ATOM 854 CA LEU A 64 -5.012 -2.608 -7.232 1.00 0.00 C ATOM 855 C LEU A 64 -4.752 -3.114 -8.650 1.00 0.00 C ATOM 856 O LEU A 64 -5.262 -4.163 -9.041 1.00 0.00 O ATOM 857 CB LEU A 64 -4.645 -3.689 -6.206 1.00 0.00 C ATOM 858 CG LEU A 64 -3.577 -3.290 -5.179 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.204 -3.260 -5.819 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.899 -1.935 -4.572 1.00 0.00 C ATOM 0 H LEU A 64 -7.058 -3.008 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.388 -1.730 -7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.549 -3.979 -5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.296 -4.571 -6.743 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.575 -4.037 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.461 -2.975 -5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.964 -4.248 -6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.198 -2.535 -6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.130 -1.669 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.930 -1.182 -5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.868 -1.980 -4.074 1.00 0.00 H new ATOM 871 N ASN A 65 -3.954 -2.373 -9.415 1.00 0.00 N ATOM 872 CA ASN A 65 -3.634 -2.759 -10.781 1.00 0.00 C ATOM 873 C ASN A 65 -2.559 -3.819 -10.758 1.00 0.00 C ATOM 874 O ASN A 65 -1.517 -3.642 -10.123 1.00 0.00 O ATOM 875 CB ASN A 65 -3.137 -1.562 -11.589 1.00 0.00 C ATOM 876 CG ASN A 65 -3.141 -1.810 -13.093 1.00 0.00 C ATOM 877 OD1 ASN A 65 -3.006 -2.944 -13.554 1.00 0.00 O ATOM 878 ND2 ASN A 65 -3.279 -0.745 -13.869 1.00 0.00 N ATOM 0 H ASN A 65 -3.519 -1.503 -9.109 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.539 -3.143 -11.252 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.763 -0.697 -11.368 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.125 -1.312 -11.271 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.276 -0.849 -14.884 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.389 0.179 -13.452 1.00 0.00 H new ATOM 884 N ASP A 66 -2.851 -4.927 -11.420 1.00 0.00 N ATOM 885 CA ASP A 66 -1.939 -6.069 -11.530 1.00 0.00 C ATOM 886 C ASP A 66 -1.457 -6.556 -10.156 1.00 0.00 C ATOM 887 O ASP A 66 -0.462 -7.268 -10.046 1.00 0.00 O ATOM 888 CB ASP A 66 -0.763 -5.689 -12.433 1.00 0.00 C ATOM 889 CG ASP A 66 0.093 -6.874 -12.837 1.00 0.00 C ATOM 890 OD1 ASP A 66 -0.455 -7.852 -13.393 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.316 -6.831 -12.607 1.00 0.00 O ATOM 0 H ASP A 66 -3.738 -5.067 -11.904 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.480 -6.904 -11.977 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.146 -5.204 -13.331 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.139 -4.959 -11.917 1.00 0.00 H new ATOM 895 N GLY A 67 -2.187 -6.173 -9.115 1.00 0.00 N ATOM 896 CA GLY A 67 -1.847 -6.570 -7.763 1.00 0.00 C ATOM 897 C GLY A 67 -0.501 -6.046 -7.286 1.00 0.00 C ATOM 898 O GLY A 67 0.177 -6.713 -6.512 1.00 0.00 O ATOM 0 H GLY A 67 -3.019 -5.587 -9.186 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.624 -6.217 -7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.843 -7.658 -7.705 1.00 0.00 H new ATOM 902 N HIS A 68 -0.113 -4.852 -7.730 1.00 0.00 N ATOM 903 CA HIS A 68 1.168 -4.275 -7.310 1.00 0.00 C ATOM 904 C HIS A 68 1.101 -2.747 -7.236 1.00 0.00 C ATOM 905 O HIS A 68 1.850 -2.121 -6.488 1.00 0.00 O ATOM 906 CB HIS A 68 2.327 -4.731 -8.228 1.00 0.00 C ATOM 907 CG HIS A 68 2.349 -4.142 -9.615 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.519 -3.882 -10.296 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.349 -3.786 -10.452 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.232 -3.387 -11.485 1.00 0.00 C ATOM 911 NE2 HIS A 68 1.922 -3.320 -11.606 1.00 0.00 N ATOM 0 H HIS A 68 -0.655 -4.271 -8.370 1.00 0.00 H new ATOM 0 HA HIS A 68 1.371 -4.649 -6.306 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.269 -4.487 -7.737 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.286 -5.817 -8.317 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.291 -3.856 -10.248 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.951 -3.087 -12.233 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.418 -2.978 -12.424 1.00 0.00 H new ATOM 919 N THR A 69 0.198 -2.161 -8.006 1.00 0.00 N ATOM 920 CA THR A 69 0.026 -0.724 -8.039 1.00 0.00 C ATOM 921 C THR A 69 -1.362 -0.322 -7.543 1.00 0.00 C ATOM 922 O THR A 69 -2.359 -0.884 -7.971 1.00 0.00 O ATOM 923 CB THR A 69 0.215 -0.227 -9.476 1.00 0.00 C ATOM 924 OG1 THR A 69 1.574 -0.421 -9.888 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.193 1.227 -9.617 1.00 0.00 C ATOM 0 H THR A 69 -0.434 -2.671 -8.624 1.00 0.00 H new ATOM 0 HA THR A 69 0.769 -0.272 -7.381 1.00 0.00 H new ATOM 0 HB THR A 69 -0.435 -0.811 -10.128 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.079 0.408 -9.752 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.046 1.548 -10.648 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.244 1.338 -9.348 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.417 1.842 -8.956 1.00 0.00 H new ATOM 933 N LEU A 70 -1.424 0.637 -6.637 1.00 0.00 N ATOM 934 CA LEU A 70 -2.703 1.108 -6.117 1.00 0.00 C ATOM 935 C LEU A 70 -3.220 2.271 -6.950 1.00 0.00 C ATOM 936 O LEU A 70 -2.473 3.182 -7.287 1.00 0.00 O ATOM 937 CB LEU A 70 -2.577 1.520 -4.642 1.00 0.00 C ATOM 938 CG LEU A 70 -3.682 2.440 -4.100 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.034 1.747 -4.120 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.342 2.897 -2.689 1.00 0.00 C ATOM 0 H LEU A 70 -0.608 1.106 -6.244 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.418 0.288 -6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.555 0.616 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.618 2.019 -4.506 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.743 3.313 -4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.795 2.423 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.285 1.469 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.993 0.851 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.133 3.548 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.251 2.028 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.398 3.443 -2.701 1.00 0.00 H new ATOM 951 N THR A 71 -4.490 2.222 -7.294 1.00 0.00 N ATOM 952 CA THR A 71 -5.123 3.275 -8.066 1.00 0.00 C ATOM 953 C THR A 71 -6.348 3.789 -7.334 1.00 0.00 C ATOM 954 O THR A 71 -7.162 3.000 -6.856 1.00 0.00 O ATOM 955 CB THR A 71 -5.531 2.792 -9.468 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.757 1.374 -9.461 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.469 3.147 -10.492 1.00 0.00 C ATOM 0 H THR A 71 -5.113 1.453 -7.048 1.00 0.00 H new ATOM 0 HA THR A 71 -4.394 4.077 -8.184 1.00 0.00 H new ATOM 0 HB THR A 71 -6.457 3.296 -9.745 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.209 1.119 -8.630 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.780 2.795 -11.476 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.336 4.229 -10.519 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.527 2.673 -10.218 1.00 0.00 H new ATOM 965 N ALA A 72 -6.455 5.103 -7.218 1.00 0.00 N ATOM 966 CA ALA A 72 -7.592 5.712 -6.540 1.00 0.00 C ATOM 967 C ALA A 72 -7.756 7.178 -6.928 1.00 0.00 C ATOM 968 O ALA A 72 -6.844 7.798 -7.477 1.00 0.00 O ATOM 969 CB ALA A 72 -7.442 5.583 -5.029 1.00 0.00 C ATOM 0 H ALA A 72 -5.772 5.767 -7.582 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.489 5.179 -6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.299 6.043 -4.538 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.390 4.529 -4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.529 6.085 -4.710 1.00 0.00 H new ATOM 975 N SER A 73 -8.930 7.714 -6.638 1.00 0.00 N ATOM 976 CA SER A 73 -9.252 9.100 -6.924 1.00 0.00 C ATOM 977 C SER A 73 -9.360 9.840 -5.599 1.00 0.00 C ATOM 978 O SER A 73 -10.205 9.508 -4.765 1.00 0.00 O ATOM 979 CB SER A 73 -10.567 9.180 -7.711 1.00 0.00 C ATOM 980 OG SER A 73 -10.834 10.499 -8.152 1.00 0.00 O ATOM 0 H SER A 73 -9.689 7.196 -6.195 1.00 0.00 H new ATOM 0 HA SER A 73 -8.475 9.559 -7.535 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.518 8.512 -8.571 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.388 8.833 -7.084 1.00 0.00 H new ATOM 0 HG SER A 73 -11.796 10.675 -8.093 1.00 0.00 H new ATOM 985 N CYS A 74 -8.508 10.828 -5.394 1.00 0.00 N ATOM 986 CA CYS A 74 -8.501 11.553 -4.133 1.00 0.00 C ATOM 987 C CYS A 74 -8.800 13.032 -4.301 1.00 0.00 C ATOM 988 O CYS A 74 -8.465 13.641 -5.314 1.00 0.00 O ATOM 989 CB CYS A 74 -7.144 11.393 -3.469 1.00 0.00 C ATOM 990 SG CYS A 74 -6.608 9.670 -3.318 1.00 0.00 S ATOM 0 H CYS A 74 -7.818 11.146 -6.075 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.292 11.129 -3.515 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.401 11.947 -4.043 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.180 11.842 -2.476 1.00 0.00 H new ATOM 994 N LYS A 75 -9.450 13.591 -3.294 1.00 0.00 N ATOM 995 CA LYS A 75 -9.781 15.002 -3.269 1.00 0.00 C ATOM 996 C LYS A 75 -8.774 15.746 -2.393 1.00 0.00 C ATOM 997 O LYS A 75 -8.327 15.222 -1.373 1.00 0.00 O ATOM 998 CB LYS A 75 -11.216 15.202 -2.753 1.00 0.00 C ATOM 999 CG LYS A 75 -11.584 16.654 -2.467 1.00 0.00 C ATOM 1000 CD LYS A 75 -11.308 17.022 -1.016 1.00 0.00 C ATOM 1001 CE LYS A 75 -11.300 18.522 -0.808 1.00 0.00 C ATOM 1002 NZ LYS A 75 -11.287 18.885 0.635 1.00 0.00 N ATOM 0 H LYS A 75 -9.763 13.077 -2.471 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.729 15.406 -4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.913 14.801 -3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.346 14.620 -1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.016 17.311 -3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.639 16.814 -2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.066 16.570 -0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.347 16.608 -0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.426 18.951 -1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.178 18.959 -1.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.282 19.920 0.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.134 18.498 1.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.436 18.491 1.084 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.413 16.958 -2.795 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.475 17.744 -2.015 1.00 0.00 C ATOM 1014 C GLY A 76 -6.755 18.767 -2.859 1.00 0.00 C ATOM 1015 O GLY A 76 -6.316 19.798 -2.355 1.00 0.00 O ATOM 0 H GLY A 76 -8.751 17.410 -3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.008 18.249 -1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.746 17.081 -1.549 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.628 18.462 -4.144 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.979 19.346 -5.106 1.00 0.00 C ATOM 1021 C ALA A 77 -6.512 20.777 -5.033 1.00 0.00 C ATOM 1022 O ALA A 77 -5.742 21.731 -5.115 1.00 0.00 O ATOM 1023 CB ALA A 77 -6.148 18.781 -6.503 1.00 0.00 C ATOM 0 H ALA A 77 -6.973 17.592 -4.550 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.919 19.396 -4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.664 19.440 -7.223 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.693 17.792 -6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.209 18.704 -6.738 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.826 20.908 -4.878 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.483 22.216 -4.782 1.00 0.00 C ATOM 1031 C ASP A 78 -9.980 22.003 -4.594 1.00 0.00 C ATOM 1032 O ASP A 78 -10.802 22.536 -5.332 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.223 23.057 -6.043 1.00 0.00 C ATOM 1034 CG ASP A 78 -8.646 24.506 -5.885 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -7.946 25.257 -5.175 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -9.676 24.903 -6.472 1.00 0.00 O ATOM 0 H ASP A 78 -8.467 20.117 -4.815 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.074 22.758 -3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.161 23.018 -6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.759 22.617 -6.884 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.326 21.177 -3.615 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.724 20.869 -3.366 1.00 0.00 C ATOM 1042 C GLY A 79 -12.256 19.874 -4.379 1.00 0.00 C ATOM 1043 O GLY A 79 -13.392 19.416 -4.292 1.00 0.00 O ATOM 0 H GLY A 79 -9.666 20.715 -2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.836 20.463 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.314 21.785 -3.408 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.402 19.534 -5.329 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.733 18.603 -6.388 1.00 0.00 C ATOM 1049 C GLN A 80 -10.904 17.337 -6.238 1.00 0.00 C ATOM 1050 O GLN A 80 -9.873 17.338 -5.553 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.478 19.240 -7.759 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.089 19.852 -7.909 1.00 0.00 C ATOM 1053 CD GLN A 80 -9.795 20.306 -9.328 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -10.272 19.713 -10.293 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.013 21.366 -9.461 1.00 0.00 N ATOM 0 H GLN A 80 -10.452 19.901 -5.385 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.791 18.349 -6.315 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.616 18.483 -8.531 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.226 20.014 -7.934 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.997 20.703 -7.234 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.340 19.121 -7.604 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.637 21.830 -8.634 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.786 21.719 -10.391 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.358 16.269 -6.872 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.675 14.988 -6.816 1.00 0.00 C ATOM 1064 C TYR A 81 -9.917 14.729 -8.114 1.00 0.00 C ATOM 1065 O TYR A 81 -10.107 15.440 -9.100 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.686 13.865 -6.561 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.765 13.779 -7.615 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.538 13.109 -8.807 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -14.004 14.377 -7.425 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.506 13.037 -9.779 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -14.983 14.306 -8.395 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.727 13.636 -9.572 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.695 13.570 -10.548 1.00 0.00 O ATOM 0 H TYR A 81 -12.207 16.265 -7.438 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.957 15.012 -5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.157 12.913 -6.515 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.151 14.019 -5.587 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.582 12.635 -8.975 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.204 14.905 -6.505 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.309 12.512 -10.702 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -15.944 14.772 -8.233 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.498 14.042 -10.244 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.065 13.715 -8.101 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.277 13.340 -9.270 1.00 0.00 C ATOM 1084 C HIS A 82 -7.827 11.892 -9.162 1.00 0.00 C ATOM 1085 O HIS A 82 -7.430 11.433 -8.090 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.050 14.247 -9.438 1.00 0.00 C ATOM 1087 CG HIS A 82 -7.313 15.461 -10.272 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -6.979 16.738 -9.874 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -7.878 15.587 -11.496 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -7.330 17.594 -10.817 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -7.878 16.921 -11.811 1.00 0.00 N ATOM 0 H HIS A 82 -8.899 13.129 -7.283 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.914 13.460 -10.146 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.703 14.561 -8.454 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.243 13.672 -9.892 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -8.258 14.785 -12.111 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.192 18.664 -10.781 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.242 17.327 -12.673 1.00 0.00 H new ATOM 1099 N ASP A 83 -7.907 11.173 -10.270 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.502 9.776 -10.304 1.00 0.00 C ATOM 1101 C ASP A 83 -5.988 9.681 -10.425 1.00 0.00 C ATOM 1102 O ASP A 83 -5.391 10.291 -11.316 1.00 0.00 O ATOM 1103 CB ASP A 83 -8.161 9.043 -11.477 1.00 0.00 C ATOM 1104 CG ASP A 83 -9.677 9.051 -11.408 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -10.290 10.050 -11.844 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -10.266 8.058 -10.933 1.00 0.00 O ATOM 0 H ASP A 83 -8.250 11.534 -11.160 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.825 9.303 -9.377 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.843 9.506 -12.411 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.810 8.011 -11.497 1.00 0.00 H new ATOM 1110 N SER A 84 -5.372 8.927 -9.529 1.00 0.00 N ATOM 1111 CA SER A 84 -3.927 8.756 -9.529 1.00 0.00 C ATOM 1112 C SER A 84 -3.556 7.328 -9.146 1.00 0.00 C ATOM 1113 O SER A 84 -4.431 6.510 -8.852 1.00 0.00 O ATOM 1114 CB SER A 84 -3.284 9.746 -8.561 1.00 0.00 C ATOM 1115 OG SER A 84 -3.854 9.652 -7.267 1.00 0.00 O ATOM 0 H SER A 84 -5.854 8.420 -8.787 1.00 0.00 H new ATOM 0 HA SER A 84 -3.554 8.950 -10.535 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.212 9.555 -8.502 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.407 10.760 -8.941 1.00 0.00 H new ATOM 0 HG SER A 84 -4.643 10.231 -7.214 1.00 0.00 H new ATOM 1120 N SER A 85 -2.261 7.026 -9.152 1.00 0.00 N ATOM 1121 CA SER A 85 -1.801 5.692 -8.801 1.00 0.00 C ATOM 1122 C SER A 85 -0.552 5.757 -7.932 1.00 0.00 C ATOM 1123 O SER A 85 0.131 6.782 -7.878 1.00 0.00 O ATOM 1124 CB SER A 85 -1.507 4.878 -10.058 1.00 0.00 C ATOM 1125 OG SER A 85 -2.145 5.442 -11.197 1.00 0.00 O ATOM 0 H SER A 85 -1.519 7.683 -9.394 1.00 0.00 H new ATOM 0 HA SER A 85 -2.596 5.205 -8.237 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.431 4.837 -10.224 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.848 3.852 -9.918 1.00 0.00 H new ATOM 0 HG SER A 85 -1.939 4.902 -11.988 1.00 0.00 H new ATOM 1130 N MET A 86 -0.265 4.654 -7.263 1.00 0.00 N ATOM 1131 CA MET A 86 0.886 4.547 -6.389 1.00 0.00 C ATOM 1132 C MET A 86 1.452 3.134 -6.439 1.00 0.00 C ATOM 1133 O MET A 86 0.752 2.167 -6.140 1.00 0.00 O ATOM 1134 CB MET A 86 0.490 4.910 -4.952 1.00 0.00 C ATOM 1135 CG MET A 86 1.584 4.660 -3.922 1.00 0.00 C ATOM 1136 SD MET A 86 3.214 5.184 -4.497 1.00 0.00 S ATOM 1137 CE MET A 86 2.866 6.840 -5.086 1.00 0.00 C ATOM 0 H MET A 86 -0.827 3.805 -7.312 1.00 0.00 H new ATOM 0 HA MET A 86 1.653 5.243 -6.728 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.209 5.963 -4.919 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.394 4.335 -4.674 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.340 5.191 -3.002 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.613 3.598 -3.679 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.764 7.263 -5.536 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.071 6.802 -5.831 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.551 7.465 -4.250 1.00 0.00 H new ATOM 1145 N ASP A 87 2.711 3.013 -6.826 1.00 0.00 N ATOM 1146 CA ASP A 87 3.354 1.718 -6.897 1.00 0.00 C ATOM 1147 C ASP A 87 3.740 1.269 -5.501 1.00 0.00 C ATOM 1148 O ASP A 87 4.700 1.766 -4.911 1.00 0.00 O ATOM 1149 CB ASP A 87 4.580 1.774 -7.804 1.00 0.00 C ATOM 1150 CG ASP A 87 4.213 2.069 -9.241 1.00 0.00 C ATOM 1151 OD1 ASP A 87 3.816 1.134 -9.963 1.00 0.00 O ATOM 1152 OD2 ASP A 87 4.304 3.243 -9.651 1.00 0.00 O ATOM 0 H ASP A 87 3.305 3.797 -7.095 1.00 0.00 H new ATOM 0 HA ASP A 87 2.657 0.997 -7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.264 2.541 -7.441 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.111 0.823 -7.754 1.00 0.00 H new ATOM 1156 N LEU A 88 2.988 0.309 -4.991 1.00 0.00 N ATOM 1157 CA LEU A 88 3.193 -0.218 -3.648 1.00 0.00 C ATOM 1158 C LEU A 88 4.436 -1.086 -3.585 1.00 0.00 C ATOM 1159 O LEU A 88 4.851 -1.513 -2.506 1.00 0.00 O ATOM 1160 CB LEU A 88 1.980 -1.030 -3.205 1.00 0.00 C ATOM 1161 CG LEU A 88 0.615 -0.409 -3.524 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.504 -1.289 -2.987 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.517 0.996 -2.941 1.00 0.00 C ATOM 0 H LEU A 88 2.217 -0.129 -5.495 1.00 0.00 H new ATOM 0 HA LEU A 88 3.326 0.629 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.031 -2.012 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.045 -1.188 -2.128 1.00 0.00 H new ATOM 0 HG LEU A 88 0.511 -0.338 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.467 -0.836 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.445 -2.275 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.402 -1.388 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.459 1.421 -3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.640 0.950 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.299 1.623 -3.369 1.00 0.00 H new ATOM 1174 N ASN A 89 5.001 -1.369 -4.748 1.00 0.00 N ATOM 1175 CA ASN A 89 6.209 -2.188 -4.848 1.00 0.00 C ATOM 1176 C ASN A 89 7.293 -1.722 -3.877 1.00 0.00 C ATOM 1177 O ASN A 89 8.047 -2.531 -3.348 1.00 0.00 O ATOM 1178 CB ASN A 89 6.758 -2.175 -6.277 1.00 0.00 C ATOM 1179 CG ASN A 89 5.939 -3.031 -7.224 1.00 0.00 C ATOM 1180 OD1 ASN A 89 4.993 -2.555 -7.850 1.00 0.00 O ATOM 1181 ND2 ASN A 89 6.308 -4.297 -7.339 1.00 0.00 N ATOM 0 H ASN A 89 4.642 -1.043 -5.645 1.00 0.00 H new ATOM 0 HA ASN A 89 5.927 -3.206 -4.580 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.778 -1.149 -6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.788 -2.531 -6.270 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.801 -4.921 -7.967 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.099 -4.649 -6.800 1.00 0.00 H new ATOM 1187 N TYR A 90 7.358 -0.426 -3.616 1.00 0.00 N ATOM 1188 CA TYR A 90 8.365 0.087 -2.703 1.00 0.00 C ATOM 1189 C TYR A 90 7.721 0.705 -1.469 1.00 0.00 C ATOM 1190 O TYR A 90 8.304 1.572 -0.815 1.00 0.00 O ATOM 1191 CB TYR A 90 9.305 1.076 -3.404 1.00 0.00 C ATOM 1192 CG TYR A 90 8.621 2.195 -4.159 1.00 0.00 C ATOM 1193 CD1 TYR A 90 8.271 2.041 -5.495 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.355 3.411 -3.549 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.673 3.068 -6.200 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.753 4.440 -4.244 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.415 4.266 -5.570 1.00 0.00 C ATOM 1198 OH TYR A 90 6.828 5.298 -6.266 1.00 0.00 O ATOM 0 H TYR A 90 6.737 0.278 -4.015 1.00 0.00 H new ATOM 0 HA TYR A 90 8.972 -0.755 -2.371 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.966 1.515 -2.657 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.935 0.522 -4.100 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.470 1.102 -5.991 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.623 3.555 -2.513 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.409 2.933 -7.239 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.547 5.379 -3.751 1.00 0.00 H new ATOM 0 HH TYR A 90 6.628 6.035 -5.652 1.00 0.00 H new ATOM 1207 N VAL A 91 6.504 0.259 -1.162 1.00 0.00 N ATOM 1208 CA VAL A 91 5.796 0.750 0.011 1.00 0.00 C ATOM 1209 C VAL A 91 5.294 -0.423 0.868 1.00 0.00 C ATOM 1210 O VAL A 91 4.879 -0.239 2.013 1.00 0.00 O ATOM 1211 CB VAL A 91 4.637 1.722 -0.352 1.00 0.00 C ATOM 1212 CG1 VAL A 91 4.985 2.554 -1.560 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.317 1.035 -0.577 1.00 0.00 C ATOM 0 H VAL A 91 5.994 -0.436 -1.707 1.00 0.00 H new ATOM 0 HA VAL A 91 6.509 1.329 0.598 1.00 0.00 H new ATOM 0 HB VAL A 91 4.517 2.365 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.157 3.224 -1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.880 3.141 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.170 1.899 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.558 1.777 -0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.412 0.324 -1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.023 0.506 0.329 1.00 0.00 H new ATOM 1223 N VAL A 92 5.349 -1.638 0.308 1.00 0.00 N ATOM 1224 CA VAL A 92 4.928 -2.843 1.026 1.00 0.00 C ATOM 1225 C VAL A 92 5.903 -3.980 0.755 1.00 0.00 C ATOM 1226 O VAL A 92 6.423 -4.108 -0.355 1.00 0.00 O ATOM 1227 CB VAL A 92 3.524 -3.352 0.615 1.00 0.00 C ATOM 1228 CG1 VAL A 92 2.886 -4.141 1.749 1.00 0.00 C ATOM 1229 CG2 VAL A 92 2.616 -2.231 0.165 1.00 0.00 C ATOM 0 H VAL A 92 5.681 -1.810 -0.641 1.00 0.00 H new ATOM 0 HA VAL A 92 4.904 -2.558 2.078 1.00 0.00 H new ATOM 0 HB VAL A 92 3.660 -4.014 -0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.901 -4.490 1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.514 -4.998 1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.786 -3.501 2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.644 -2.639 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.491 -1.516 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.057 -1.728 -0.696 1.00 0.00 H new ATOM 1239 N GLY A 93 6.137 -4.806 1.763 1.00 0.00 N ATOM 1240 CA GLY A 93 7.026 -5.940 1.609 1.00 0.00 C ATOM 1241 C GLY A 93 6.498 -7.169 2.325 1.00 0.00 C ATOM 1242 O GLY A 93 5.515 -7.085 3.066 1.00 0.00 O ATOM 0 H GLY A 93 5.725 -4.711 2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.152 -6.162 0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.011 -5.686 2.001 1.00 0.00 H new ATOM 1246 N ASN A 94 7.140 -8.306 2.107 1.00 0.00 N ATOM 1247 CA ASN A 94 6.726 -9.558 2.729 1.00 0.00 C ATOM 1248 C ASN A 94 7.860 -10.155 3.554 1.00 0.00 C ATOM 1249 O ASN A 94 9.030 -10.087 3.170 1.00 0.00 O ATOM 1250 CB ASN A 94 6.290 -10.561 1.653 1.00 0.00 C ATOM 1251 CG ASN A 94 5.982 -11.941 2.213 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.468 -12.087 3.322 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.316 -12.971 1.452 1.00 0.00 N ATOM 0 H ASN A 94 7.956 -8.389 1.500 1.00 0.00 H new ATOM 0 HA ASN A 94 5.886 -9.347 3.391 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.406 -10.177 1.143 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.078 -10.647 0.904 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.149 -13.922 1.780 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.740 -12.813 0.538 1.00 0.00 H new ATOM 1259 N SER A 95 7.512 -10.721 4.700 1.00 0.00 N ATOM 1260 CA SER A 95 8.476 -11.349 5.577 1.00 0.00 C ATOM 1261 C SER A 95 7.844 -12.535 6.297 1.00 0.00 C ATOM 1262 O SER A 95 6.985 -12.356 7.156 1.00 0.00 O ATOM 1263 CB SER A 95 8.992 -10.333 6.588 1.00 0.00 C ATOM 1264 OG SER A 95 9.742 -9.316 5.943 1.00 0.00 O ATOM 0 H SER A 95 6.552 -10.755 5.044 1.00 0.00 H new ATOM 0 HA SER A 95 9.312 -11.713 4.980 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.153 -9.888 7.124 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.614 -10.835 7.329 1.00 0.00 H new ATOM 0 HG SER A 95 10.063 -8.673 6.610 1.00 0.00 H new ATOM 1269 N TYR A 96 8.259 -13.748 5.925 1.00 0.00 N ATOM 1270 CA TYR A 96 7.742 -14.973 6.541 1.00 0.00 C ATOM 1271 C TYR A 96 6.225 -15.085 6.386 1.00 0.00 C ATOM 1272 O TYR A 96 5.526 -15.480 7.319 1.00 0.00 O ATOM 1273 CB TYR A 96 8.117 -15.035 8.027 1.00 0.00 C ATOM 1274 CG TYR A 96 9.589 -15.256 8.274 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.130 -16.532 8.249 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.438 -14.187 8.532 1.00 0.00 C ATOM 1277 CE1 TYR A 96 11.477 -16.741 8.475 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.786 -14.387 8.757 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.301 -15.666 8.728 1.00 0.00 C ATOM 1280 OH TYR A 96 13.648 -15.869 8.947 1.00 0.00 O ATOM 0 H TYR A 96 8.955 -13.909 5.197 1.00 0.00 H new ATOM 0 HA TYR A 96 8.201 -15.813 6.021 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.813 -14.105 8.508 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.554 -15.839 8.501 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.488 -17.377 8.050 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.038 -13.184 8.557 1.00 0.00 H new ATOM 0 HE1 TYR A 96 11.882 -17.742 8.453 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.434 -13.546 8.955 1.00 0.00 H new ATOM 0 HH TYR A 96 14.087 -15.008 9.109 1.00 0.00 H new ATOM 1289 N GLY A 97 5.722 -14.748 5.202 1.00 0.00 N ATOM 1290 CA GLY A 97 4.292 -14.817 4.954 1.00 0.00 C ATOM 1291 C GLY A 97 3.515 -13.788 5.752 1.00 0.00 C ATOM 1292 O GLY A 97 2.290 -13.863 5.857 1.00 0.00 O ATOM 0 H GLY A 97 6.279 -14.428 4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.103 -14.666 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.931 -15.815 5.204 1.00 0.00 H new ATOM 1296 N TYR A 98 4.235 -12.833 6.321 1.00 0.00 N ATOM 1297 CA TYR A 98 3.633 -11.782 7.111 1.00 0.00 C ATOM 1298 C TYR A 98 3.875 -10.444 6.432 1.00 0.00 C ATOM 1299 O TYR A 98 4.946 -10.210 5.865 1.00 0.00 O ATOM 1300 CB TYR A 98 4.224 -11.780 8.522 1.00 0.00 C ATOM 1301 CG TYR A 98 3.563 -10.797 9.462 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.244 -10.968 9.860 1.00 0.00 C ATOM 1303 CD2 TYR A 98 4.258 -9.699 9.950 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.636 -10.073 10.718 1.00 0.00 C ATOM 1305 CE2 TYR A 98 3.656 -8.800 10.810 1.00 0.00 C ATOM 1306 CZ TYR A 98 2.347 -8.992 11.192 1.00 0.00 C ATOM 1307 OH TYR A 98 1.747 -8.099 12.050 1.00 0.00 O ATOM 0 H TYR A 98 5.250 -12.769 6.245 1.00 0.00 H new ATOM 0 HA TYR A 98 2.560 -11.955 7.190 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.140 -12.782 8.942 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.287 -11.549 8.460 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.684 -11.815 9.492 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.285 -9.545 9.653 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.608 -10.220 11.016 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.210 -7.950 11.181 1.00 0.00 H new ATOM 0 HH TYR A 98 2.386 -7.396 12.290 1.00 0.00 H new ATOM 1316 N MET A 99 2.877 -9.580 6.482 1.00 0.00 N ATOM 1317 CA MET A 99 2.973 -8.272 5.861 1.00 0.00 C ATOM 1318 C MET A 99 3.970 -7.376 6.588 1.00 0.00 C ATOM 1319 O MET A 99 3.941 -7.245 7.812 1.00 0.00 O ATOM 1320 CB MET A 99 1.593 -7.607 5.800 1.00 0.00 C ATOM 1321 CG MET A 99 0.939 -7.359 7.153 1.00 0.00 C ATOM 1322 SD MET A 99 1.334 -5.740 7.842 1.00 0.00 S ATOM 1323 CE MET A 99 0.426 -5.807 9.382 1.00 0.00 C ATOM 0 H MET A 99 1.988 -9.762 6.948 1.00 0.00 H new ATOM 0 HA MET A 99 3.340 -8.413 4.844 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.688 -6.654 5.279 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.931 -8.233 5.202 1.00 0.00 H new ATOM 0 HG2 MET A 99 -0.142 -7.449 7.049 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.258 -8.132 7.852 1.00 0.00 H new ATOM 0 HE1 MET A 99 0.568 -4.875 9.929 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.635 -5.947 9.173 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.791 -6.640 9.983 1.00 0.00 H new ATOM 1331 N GLU A 100 4.868 -6.789 5.815 1.00 0.00 N ATOM 1332 CA GLU A 100 5.877 -5.884 6.335 1.00 0.00 C ATOM 1333 C GLU A 100 6.030 -4.711 5.387 1.00 0.00 C ATOM 1334 O GLU A 100 6.950 -4.666 4.576 1.00 0.00 O ATOM 1335 CB GLU A 100 7.213 -6.604 6.522 1.00 0.00 C ATOM 1336 CG GLU A 100 7.233 -7.526 7.728 1.00 0.00 C ATOM 1337 CD GLU A 100 7.256 -6.772 9.042 1.00 0.00 C ATOM 1338 OE1 GLU A 100 7.187 -5.522 9.026 1.00 0.00 O ATOM 1339 OE2 GLU A 100 7.366 -7.423 10.103 1.00 0.00 O ATOM 0 H GLU A 100 4.917 -6.928 4.806 1.00 0.00 H new ATOM 0 HA GLU A 100 5.560 -5.520 7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.434 -7.184 5.626 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.006 -5.863 6.626 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.356 -8.172 7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.108 -8.174 7.670 1.00 0.00 H new ATOM 1344 N PRO A 101 5.098 -3.755 5.466 1.00 0.00 N ATOM 1345 CA PRO A 101 5.102 -2.574 4.607 1.00 0.00 C ATOM 1346 C PRO A 101 6.303 -1.674 4.862 1.00 0.00 C ATOM 1347 O PRO A 101 6.310 -0.858 5.783 1.00 0.00 O ATOM 1348 CB PRO A 101 3.796 -1.859 4.959 1.00 0.00 C ATOM 1349 CG PRO A 101 3.428 -2.358 6.312 1.00 0.00 C ATOM 1350 CD PRO A 101 3.972 -3.754 6.411 1.00 0.00 C ATOM 0 HA PRO A 101 5.174 -2.841 3.553 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.928 -0.777 4.961 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.016 -2.083 4.231 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.850 -1.721 7.089 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.346 -2.352 6.447 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.299 -3.986 7.425 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.221 -4.497 6.141 1.00 0.00 H new ATOM 1355 N CYS A 102 7.322 -1.849 4.047 1.00 0.00 N ATOM 1356 CA CYS A 102 8.536 -1.062 4.149 1.00 0.00 C ATOM 1357 C CYS A 102 8.554 0.006 3.068 1.00 0.00 C ATOM 1358 O CYS A 102 8.289 -0.282 1.903 1.00 0.00 O ATOM 1359 CB CYS A 102 9.767 -1.966 4.034 1.00 0.00 C ATOM 1360 SG CYS A 102 9.498 -3.461 3.022 1.00 0.00 S ATOM 0 H CYS A 102 7.334 -2.539 3.296 1.00 0.00 H new ATOM 0 HA CYS A 102 8.560 -0.573 5.123 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.588 -1.392 3.604 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.078 -2.268 5.034 1.00 0.00 H new