USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 550 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 116 TYR OH : rot 15:sc= 0.664 USER MOD Set 1.2: A 141 ASN : amide:sc= 0.542 K(o=1.2,f=-5.6!) USER MOD Set 2.1: A 111 ASN : amide:sc= 0.615 X(o=0.92,f=0.75) USER MOD Set 2.2: A 115 THR OG1 : rot 180:sc= 0.305 USER MOD Set 3.1: A 92 GLN : amide:sc= 0.331 X(o=0.64,f=0.33) USER MOD Set 3.2: A 121 TYR OH : rot 30:sc= 0.312 USER MOD Single : A 88 GLN : amide:sc= -0.351 K(o=-0.35,f=-1.6) USER MOD Single : A 90 ASN : amide:sc= -0.16 K(o=-0.16,f=-3.3!) USER MOD Single : A 96 SER OG : rot 24:sc= 0.0742 USER MOD Single : A 98 SER OG : rot 92:sc= 0.017 USER MOD Single : A 100 SER OG : rot 68:sc= 1.27 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0409 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= 0.758 K(o=0.76,f=-0.38) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.0061) USER MOD Single : A 132 HIS : no HD1:sc= 0.792 K(o=0.79,f=-4.4!) USER MOD Single : A 134 LYS NZ :NH3+ 157:sc= 0.988 (180deg=0.673) USER MOD Single : A 137 SER OG : rot 81:sc= 0.455 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= 1.22 K(o=1.2,f=0) USER MOD Single : A 145 ASN : amide:sc= 1.23 K(o=1.2,f=-6.5!) USER MOD Single : A 201 SER OG : rot 180:sc= 0 USER MOD Single : A 365 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 366 SER OG : rot 87:sc= 1.21 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 368 HIS : no HD1:sc= -0.417 K(o=-0.42,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 86 0.663 1.689 -4.265 1.00 0.00 N ATOM 24 CA GLU A 86 1.596 2.648 -4.869 1.00 0.00 C ATOM 25 C GLU A 86 1.016 3.336 -6.118 1.00 0.00 C ATOM 26 O GLU A 86 1.753 4.010 -6.841 1.00 0.00 O ATOM 27 CB GLU A 86 2.916 1.908 -5.136 1.00 0.00 C ATOM 28 CG GLU A 86 3.746 1.808 -3.849 1.00 0.00 C ATOM 29 CD GLU A 86 4.801 0.692 -3.933 1.00 0.00 C ATOM 30 OE1 GLU A 86 5.823 0.855 -4.643 1.00 0.00 O ATOM 31 OE2 GLU A 86 4.601 -0.360 -3.274 1.00 0.00 O ATOM 0 HA GLU A 86 1.780 3.473 -4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.709 0.909 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.485 2.433 -5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.240 2.761 -3.660 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.084 1.619 -3.004 1.00 0.00 H new ATOM 38 N PHE A 87 -0.298 3.208 -6.345 1.00 0.00 N ATOM 39 CA PHE A 87 -1.080 3.944 -7.342 1.00 0.00 C ATOM 40 C PHE A 87 -0.816 3.496 -8.783 1.00 0.00 C ATOM 41 O PHE A 87 -0.222 4.212 -9.590 1.00 0.00 O ATOM 42 CB PHE A 87 -0.998 5.466 -7.118 1.00 0.00 C ATOM 43 CG PHE A 87 -0.963 5.888 -5.659 1.00 0.00 C ATOM 44 CD1 PHE A 87 -2.087 5.700 -4.832 1.00 0.00 C ATOM 45 CD2 PHE A 87 0.204 6.466 -5.123 1.00 0.00 C ATOM 46 CE1 PHE A 87 -2.053 6.116 -3.490 1.00 0.00 C ATOM 47 CE2 PHE A 87 0.232 6.892 -3.785 1.00 0.00 C ATOM 48 CZ PHE A 87 -0.903 6.734 -2.970 1.00 0.00 C ATOM 0 H PHE A 87 -0.871 2.555 -5.810 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.125 3.678 -7.184 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.105 5.846 -7.614 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.855 5.938 -7.599 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.977 5.235 -5.230 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.081 6.582 -5.743 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.914 5.960 -2.856 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.127 7.342 -3.381 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.891 7.086 -1.949 1.00 0.00 H new ATOM 58 N GLN A 88 -1.304 2.295 -9.109 1.00 0.00 N ATOM 59 CA GLN A 88 -1.273 1.694 -10.440 1.00 0.00 C ATOM 60 C GLN A 88 -2.705 1.372 -10.894 1.00 0.00 C ATOM 61 O GLN A 88 -3.674 1.746 -10.233 1.00 0.00 O ATOM 62 CB GLN A 88 -0.353 0.451 -10.423 1.00 0.00 C ATOM 63 CG GLN A 88 1.140 0.796 -10.282 1.00 0.00 C ATOM 64 CD GLN A 88 1.605 1.175 -8.874 1.00 0.00 C ATOM 65 OE1 GLN A 88 1.089 0.703 -7.863 1.00 0.00 O ATOM 66 NE2 GLN A 88 2.596 2.048 -8.785 1.00 0.00 N ATOM 0 H GLN A 88 -1.751 1.691 -8.419 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.857 2.392 -11.167 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.647 -0.198 -9.598 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.502 -0.114 -11.343 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.725 -0.060 -10.620 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.368 1.623 -10.955 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.015 2.432 -9.632 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.941 2.337 -7.869 1.00 0.00 H new ATOM 75 N ILE A 89 -2.857 0.708 -12.045 1.00 0.00 N ATOM 76 CA ILE A 89 -4.151 0.206 -12.507 1.00 0.00 C ATOM 77 C ILE A 89 -4.763 -0.653 -11.387 1.00 0.00 C ATOM 78 O ILE A 89 -4.049 -1.391 -10.700 1.00 0.00 O ATOM 79 CB ILE A 89 -4.003 -0.542 -13.854 1.00 0.00 C ATOM 80 CG1 ILE A 89 -3.386 0.402 -14.920 1.00 0.00 C ATOM 81 CG2 ILE A 89 -5.364 -1.087 -14.330 1.00 0.00 C ATOM 82 CD1 ILE A 89 -3.150 -0.239 -16.294 1.00 0.00 C ATOM 0 H ILE A 89 -2.086 0.505 -12.681 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.837 1.028 -12.711 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.335 -1.391 -13.710 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.043 1.263 -15.045 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.435 0.779 -14.543 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.235 -1.609 -15.278 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.759 -1.779 -13.586 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.061 -0.260 -14.463 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.717 0.498 -16.970 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.466 -1.081 -16.190 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.099 -0.590 -16.700 1.00 0.00 H new ATOM 94 N ASN A 90 -6.086 -0.553 -11.224 1.00 0.00 N ATOM 95 CA ASN A 90 -6.866 -1.186 -10.160 1.00 0.00 C ATOM 96 C ASN A 90 -6.449 -0.730 -8.749 1.00 0.00 C ATOM 97 O ASN A 90 -6.711 -1.434 -7.774 1.00 0.00 O ATOM 98 CB ASN A 90 -6.930 -2.725 -10.306 1.00 0.00 C ATOM 99 CG ASN A 90 -7.621 -3.182 -11.585 1.00 0.00 C ATOM 100 OD1 ASN A 90 -8.678 -2.673 -11.944 1.00 0.00 O ATOM 101 ND2 ASN A 90 -7.055 -4.141 -12.300 1.00 0.00 N ATOM 0 H ASN A 90 -6.666 -0.004 -11.859 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.888 -0.829 -10.287 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -5.917 -3.127 -10.285 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -7.457 -3.143 -9.448 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -7.498 -4.465 -13.160 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.176 -4.556 -11.991 1.00 0.00 H new ATOM 108 N GLU A 91 -5.850 0.457 -8.613 1.00 0.00 N ATOM 109 CA GLU A 91 -5.580 1.111 -7.333 1.00 0.00 C ATOM 110 C GLU A 91 -6.158 2.537 -7.392 1.00 0.00 C ATOM 111 O GLU A 91 -6.624 2.978 -8.448 1.00 0.00 O ATOM 112 CB GLU A 91 -4.064 1.042 -7.047 1.00 0.00 C ATOM 113 CG GLU A 91 -3.607 1.527 -5.666 1.00 0.00 C ATOM 114 CD GLU A 91 -4.408 0.865 -4.533 1.00 0.00 C ATOM 115 OE1 GLU A 91 -4.095 -0.287 -4.152 1.00 0.00 O ATOM 116 OE2 GLU A 91 -5.354 1.518 -4.036 1.00 0.00 O ATOM 0 H GLU A 91 -5.532 1.003 -9.414 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.065 0.611 -6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.740 0.009 -7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.547 1.631 -7.804 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.547 1.309 -5.537 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.719 2.610 -5.606 1.00 0.00 H new ATOM 123 N GLN A 92 -6.203 3.232 -6.254 1.00 0.00 N ATOM 124 CA GLN A 92 -6.810 4.556 -6.132 1.00 0.00 C ATOM 125 C GLN A 92 -5.969 5.652 -6.792 1.00 0.00 C ATOM 126 O GLN A 92 -4.744 5.568 -6.862 1.00 0.00 O ATOM 127 CB GLN A 92 -7.009 4.936 -4.652 1.00 0.00 C ATOM 128 CG GLN A 92 -8.064 4.066 -3.970 1.00 0.00 C ATOM 129 CD GLN A 92 -8.497 4.648 -2.619 1.00 0.00 C ATOM 130 OE1 GLN A 92 -7.786 4.542 -1.622 1.00 0.00 O ATOM 131 NE2 GLN A 92 -9.667 5.273 -2.554 1.00 0.00 N ATOM 0 H GLN A 92 -5.812 2.884 -5.378 1.00 0.00 H new ATOM 0 HA GLN A 92 -7.770 4.491 -6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.061 4.837 -4.123 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -7.304 5.983 -4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.933 3.972 -4.621 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -7.667 3.062 -3.822 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -10.249 5.355 -3.388 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -9.984 5.671 -1.670 1.00 0.00 H new ATOM 140 N VAL A 93 -6.654 6.728 -7.175 1.00 0.00 N ATOM 141 CA VAL A 93 -6.116 7.998 -7.624 1.00 0.00 C ATOM 142 C VAL A 93 -7.116 9.090 -7.250 1.00 0.00 C ATOM 143 O VAL A 93 -8.273 8.803 -6.940 1.00 0.00 O ATOM 144 CB VAL A 93 -5.876 8.028 -9.151 1.00 0.00 C ATOM 145 CG1 VAL A 93 -4.511 7.433 -9.514 1.00 0.00 C ATOM 146 CG2 VAL A 93 -7.018 7.399 -9.964 1.00 0.00 C ATOM 0 H VAL A 93 -7.674 6.728 -7.177 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.150 8.155 -7.143 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.866 9.080 -9.436 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.374 7.469 -10.595 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.723 8.008 -9.029 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.464 6.397 -9.177 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.782 7.455 -11.027 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.139 6.355 -9.674 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.944 7.940 -9.769 1.00 0.00 H new ATOM 156 N LEU A 94 -6.677 10.342 -7.277 1.00 0.00 N ATOM 157 CA LEU A 94 -7.541 11.501 -7.191 1.00 0.00 C ATOM 158 C LEU A 94 -7.771 11.890 -8.640 1.00 0.00 C ATOM 159 O LEU A 94 -6.803 12.061 -9.383 1.00 0.00 O ATOM 160 CB LEU A 94 -6.840 12.671 -6.483 1.00 0.00 C ATOM 161 CG LEU A 94 -6.841 12.622 -4.950 1.00 0.00 C ATOM 162 CD1 LEU A 94 -6.105 13.864 -4.438 1.00 0.00 C ATOM 163 CD2 LEU A 94 -8.249 12.573 -4.340 1.00 0.00 C ATOM 0 H LEU A 94 -5.689 10.580 -7.361 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.451 11.282 -6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.806 12.711 -6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.316 13.599 -6.798 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.345 11.700 -4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.091 13.855 -3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.082 13.862 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.618 14.760 -4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.174 12.540 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.806 13.461 -4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.769 11.683 -4.695 1.00 0.00 H new ATOM 175 N ALA A 95 -9.027 12.053 -9.042 1.00 0.00 N ATOM 176 CA ALA A 95 -9.398 12.410 -10.396 1.00 0.00 C ATOM 177 C ALA A 95 -10.444 13.517 -10.344 1.00 0.00 C ATOM 178 O ALA A 95 -11.316 13.506 -9.473 1.00 0.00 O ATOM 179 CB ALA A 95 -9.955 11.178 -11.108 1.00 0.00 C ATOM 0 H ALA A 95 -9.827 11.937 -8.420 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.528 12.767 -10.947 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.235 11.443 -12.128 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.195 10.397 -11.132 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.832 10.814 -10.573 1.00 0.00 H new ATOM 185 N SER A 96 -10.346 14.476 -11.259 1.00 0.00 N ATOM 186 CA SER A 96 -11.262 15.596 -11.336 1.00 0.00 C ATOM 187 C SER A 96 -12.636 15.107 -11.796 1.00 0.00 C ATOM 188 O SER A 96 -12.778 14.539 -12.884 1.00 0.00 O ATOM 189 CB SER A 96 -10.666 16.675 -12.246 1.00 0.00 C ATOM 190 OG SER A 96 -9.555 17.247 -11.571 1.00 0.00 O ATOM 0 H SER A 96 -9.618 14.493 -11.974 1.00 0.00 H new ATOM 0 HA SER A 96 -11.405 16.049 -10.355 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.354 16.243 -13.197 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.410 17.439 -12.471 1.00 0.00 H new ATOM 0 HG SER A 96 -9.204 16.606 -10.918 1.00 0.00 H new ATOM 196 N TRP A 97 -13.632 15.280 -10.928 1.00 0.00 N ATOM 197 CA TRP A 97 -15.027 14.980 -11.199 1.00 0.00 C ATOM 198 C TRP A 97 -15.672 16.167 -11.915 1.00 0.00 C ATOM 199 O TRP A 97 -15.148 17.286 -11.864 1.00 0.00 O ATOM 200 CB TRP A 97 -15.725 14.637 -9.888 1.00 0.00 C ATOM 201 CG TRP A 97 -17.082 14.005 -9.964 1.00 0.00 C ATOM 202 CD1 TRP A 97 -17.505 13.050 -10.824 1.00 0.00 C ATOM 203 CD2 TRP A 97 -18.229 14.281 -9.115 1.00 0.00 C ATOM 204 NE1 TRP A 97 -18.814 12.710 -10.545 1.00 0.00 N ATOM 205 CE2 TRP A 97 -19.299 13.407 -9.456 1.00 0.00 C ATOM 206 CE3 TRP A 97 -18.428 15.156 -8.037 1.00 0.00 C ATOM 207 CZ2 TRP A 97 -20.494 13.376 -8.719 1.00 0.00 C ATOM 208 CZ3 TRP A 97 -19.618 15.140 -7.290 1.00 0.00 C ATOM 209 CH2 TRP A 97 -20.644 14.240 -7.619 1.00 0.00 C ATOM 0 H TRP A 97 -13.479 15.645 -9.988 1.00 0.00 H new ATOM 0 HA TRP A 97 -15.119 14.117 -11.858 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -15.074 13.966 -9.327 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -15.815 15.554 -9.306 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.907 12.617 -11.612 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -19.355 12.029 -11.077 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -17.650 15.857 -7.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -21.288 12.697 -8.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -19.744 15.821 -6.461 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -21.548 14.211 -7.028 1.00 0.00 H new ATOM 220 N SER A 98 -16.824 15.930 -12.549 1.00 0.00 N ATOM 221 CA SER A 98 -17.600 16.929 -13.284 1.00 0.00 C ATOM 222 C SER A 98 -17.965 18.156 -12.428 1.00 0.00 C ATOM 223 O SER A 98 -18.255 19.224 -12.974 1.00 0.00 O ATOM 224 CB SER A 98 -18.865 16.258 -13.838 1.00 0.00 C ATOM 225 OG SER A 98 -18.555 15.005 -14.448 1.00 0.00 O ATOM 0 H SER A 98 -17.255 15.006 -12.564 1.00 0.00 H new ATOM 0 HA SER A 98 -16.981 17.306 -14.098 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.583 16.106 -13.032 1.00 0.00 H new ATOM 0 HB3 SER A 98 -19.339 16.914 -14.568 1.00 0.00 H new ATOM 0 HG SER A 98 -18.642 14.288 -13.785 1.00 0.00 H new ATOM 231 N ASP A 99 -17.927 18.014 -11.095 1.00 0.00 N ATOM 232 CA ASP A 99 -18.029 19.103 -10.125 1.00 0.00 C ATOM 233 C ASP A 99 -17.111 20.279 -10.481 1.00 0.00 C ATOM 234 O ASP A 99 -17.600 21.407 -10.560 1.00 0.00 O ATOM 235 CB ASP A 99 -17.670 18.570 -8.736 1.00 0.00 C ATOM 236 CG ASP A 99 -17.199 19.694 -7.799 1.00 0.00 C ATOM 237 OD1 ASP A 99 -18.053 20.403 -7.213 1.00 0.00 O ATOM 238 OD2 ASP A 99 -15.962 19.863 -7.660 1.00 0.00 O ATOM 0 H ASP A 99 -17.820 17.102 -10.651 1.00 0.00 H new ATOM 0 HA ASP A 99 -19.054 19.474 -10.139 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -18.538 18.074 -8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -16.885 17.819 -8.826 1.00 0.00 H new ATOM 243 N SER A 100 -15.817 20.003 -10.715 1.00 0.00 N ATOM 244 CA SER A 100 -14.716 20.932 -10.997 1.00 0.00 C ATOM 245 C SER A 100 -13.352 20.268 -10.757 1.00 0.00 C ATOM 246 O SER A 100 -12.461 20.420 -11.597 1.00 0.00 O ATOM 247 CB SER A 100 -14.757 22.228 -10.157 1.00 0.00 C ATOM 248 OG SER A 100 -15.694 23.162 -10.659 1.00 0.00 O ATOM 0 H SER A 100 -15.488 19.037 -10.711 1.00 0.00 H new ATOM 0 HA SER A 100 -14.847 21.198 -12.046 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.009 21.982 -9.125 1.00 0.00 H new ATOM 0 HB3 SER A 100 -13.766 22.682 -10.144 1.00 0.00 H new ATOM 0 HG SER A 100 -16.602 22.819 -10.525 1.00 0.00 H new ATOM 254 N ARG A 101 -13.159 19.561 -9.629 1.00 0.00 N ATOM 255 CA ARG A 101 -11.830 19.081 -9.218 1.00 0.00 C ATOM 256 C ARG A 101 -11.873 17.717 -8.534 1.00 0.00 C ATOM 257 O ARG A 101 -12.859 16.995 -8.657 1.00 0.00 O ATOM 258 CB ARG A 101 -11.063 20.155 -8.411 1.00 0.00 C ATOM 259 CG ARG A 101 -11.457 20.384 -6.935 1.00 0.00 C ATOM 260 CD ARG A 101 -12.926 20.777 -6.712 1.00 0.00 C ATOM 261 NE ARG A 101 -13.120 21.307 -5.348 1.00 0.00 N ATOM 262 CZ ARG A 101 -14.271 21.346 -4.658 1.00 0.00 C ATOM 263 NH1 ARG A 101 -15.407 20.903 -5.185 1.00 0.00 N ATOM 264 NH2 ARG A 101 -14.277 21.836 -3.420 1.00 0.00 N ATOM 0 H ARG A 101 -13.909 19.310 -8.985 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.255 18.914 -10.129 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.004 19.896 -8.436 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -11.171 21.105 -8.935 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.250 19.473 -6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.820 21.165 -6.521 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -13.223 21.527 -7.445 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.568 19.909 -6.866 1.00 0.00 H new ATOM 0 HE ARG A 101 -12.294 21.682 -4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -15.416 20.524 -6.132 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -16.270 20.942 -4.643 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -13.411 22.178 -3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.147 21.869 -2.889 1.00 0.00 H new ATOM 278 N PHE A 102 -10.750 17.341 -7.920 1.00 0.00 N ATOM 279 CA PHE A 102 -10.442 16.025 -7.385 1.00 0.00 C ATOM 280 C PHE A 102 -11.448 15.443 -6.396 1.00 0.00 C ATOM 281 O PHE A 102 -11.931 16.135 -5.498 1.00 0.00 O ATOM 282 CB PHE A 102 -9.058 16.082 -6.724 1.00 0.00 C ATOM 283 CG PHE A 102 -7.961 16.506 -7.678 1.00 0.00 C ATOM 284 CD1 PHE A 102 -7.781 15.790 -8.873 1.00 0.00 C ATOM 285 CD2 PHE A 102 -7.128 17.608 -7.395 1.00 0.00 C ATOM 286 CE1 PHE A 102 -6.834 16.216 -9.810 1.00 0.00 C ATOM 287 CE2 PHE A 102 -6.156 18.015 -8.331 1.00 0.00 C ATOM 288 CZ PHE A 102 -6.016 17.318 -9.545 1.00 0.00 C ATOM 0 H PHE A 102 -9.983 17.997 -7.776 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.479 15.350 -8.240 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -9.091 16.778 -5.885 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -8.817 15.101 -6.315 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.375 14.909 -9.069 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.235 18.140 -6.461 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.734 15.689 -10.747 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.520 18.861 -8.117 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.279 17.633 -10.269 1.00 0.00 H new ATOM 298 N TYR A 103 -11.630 14.126 -6.544 1.00 0.00 N ATOM 299 CA TYR A 103 -12.318 13.171 -5.684 1.00 0.00 C ATOM 300 C TYR A 103 -11.586 11.833 -5.901 1.00 0.00 C ATOM 301 O TYR A 103 -10.904 11.691 -6.924 1.00 0.00 O ATOM 302 CB TYR A 103 -13.797 13.026 -6.078 1.00 0.00 C ATOM 303 CG TYR A 103 -14.672 14.228 -5.795 1.00 0.00 C ATOM 304 CD1 TYR A 103 -14.710 15.271 -6.729 1.00 0.00 C ATOM 305 CD2 TYR A 103 -15.448 14.314 -4.623 1.00 0.00 C ATOM 306 CE1 TYR A 103 -15.513 16.397 -6.513 1.00 0.00 C ATOM 307 CE2 TYR A 103 -16.290 15.423 -4.410 1.00 0.00 C ATOM 308 CZ TYR A 103 -16.316 16.480 -5.352 1.00 0.00 C ATOM 309 OH TYR A 103 -17.106 17.577 -5.154 1.00 0.00 O ATOM 0 H TYR A 103 -11.253 13.655 -7.366 1.00 0.00 H new ATOM 0 HA TYR A 103 -12.302 13.495 -4.644 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -13.850 12.804 -7.144 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -14.212 12.166 -5.552 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -14.113 15.206 -7.626 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -15.397 13.527 -3.885 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -15.519 17.202 -7.233 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -16.915 15.467 -3.530 1.00 0.00 H new ATOM 0 HH TYR A 103 -17.596 17.480 -4.311 1.00 0.00 H new ATOM 319 N PRO A 104 -11.684 10.837 -5.002 1.00 0.00 N ATOM 320 CA PRO A 104 -11.053 9.537 -5.230 1.00 0.00 C ATOM 321 C PRO A 104 -11.754 8.778 -6.370 1.00 0.00 C ATOM 322 O PRO A 104 -12.971 8.882 -6.543 1.00 0.00 O ATOM 323 CB PRO A 104 -11.114 8.817 -3.875 1.00 0.00 C ATOM 324 CG PRO A 104 -12.345 9.426 -3.203 1.00 0.00 C ATOM 325 CD PRO A 104 -12.350 10.869 -3.709 1.00 0.00 C ATOM 0 HA PRO A 104 -10.018 9.619 -5.562 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -11.216 7.739 -3.998 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.211 8.987 -3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -13.257 8.899 -3.483 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.272 9.382 -2.116 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.368 11.247 -3.803 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -11.827 11.528 -3.016 1.00 0.00 H new ATOM 333 N ALA A 105 -10.982 7.990 -7.117 1.00 0.00 N ATOM 334 CA ALA A 105 -11.415 7.139 -8.218 1.00 0.00 C ATOM 335 C ALA A 105 -10.451 5.954 -8.340 1.00 0.00 C ATOM 336 O ALA A 105 -9.334 6.001 -7.828 1.00 0.00 O ATOM 337 CB ALA A 105 -11.404 7.958 -9.516 1.00 0.00 C ATOM 0 H ALA A 105 -9.977 7.927 -6.958 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.423 6.767 -8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -11.727 7.329 -10.346 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -12.083 8.805 -9.417 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -10.395 8.322 -9.708 1.00 0.00 H new ATOM 343 N LYS A 106 -10.865 4.903 -9.042 1.00 0.00 N ATOM 344 CA LYS A 106 -10.052 3.727 -9.359 1.00 0.00 C ATOM 345 C LYS A 106 -9.373 3.984 -10.707 1.00 0.00 C ATOM 346 O LYS A 106 -10.048 4.409 -11.643 1.00 0.00 O ATOM 347 CB LYS A 106 -11.021 2.524 -9.398 1.00 0.00 C ATOM 348 CG LYS A 106 -10.380 1.166 -9.727 1.00 0.00 C ATOM 349 CD LYS A 106 -11.416 0.040 -9.558 1.00 0.00 C ATOM 350 CE LYS A 106 -10.811 -1.336 -9.886 1.00 0.00 C ATOM 351 NZ LYS A 106 -11.796 -2.444 -9.732 1.00 0.00 N ATOM 0 H LYS A 106 -11.810 4.842 -9.421 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.269 3.523 -8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.516 2.447 -8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.796 2.728 -10.137 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.000 1.172 -10.749 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.528 0.989 -9.071 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.791 0.039 -8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.269 0.228 -10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.434 -1.329 -10.909 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.958 -1.519 -9.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.340 -3.349 -9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.138 -2.471 -8.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.599 -2.286 -10.374 1.00 0.00 H new ATOM 365 N VAL A 107 -8.074 3.722 -10.845 1.00 0.00 N ATOM 366 CA VAL A 107 -7.406 3.750 -12.150 1.00 0.00 C ATOM 367 C VAL A 107 -7.925 2.573 -12.971 1.00 0.00 C ATOM 368 O VAL A 107 -7.917 1.441 -12.480 1.00 0.00 O ATOM 369 CB VAL A 107 -5.881 3.609 -11.993 1.00 0.00 C ATOM 370 CG1 VAL A 107 -5.150 3.664 -13.344 1.00 0.00 C ATOM 371 CG2 VAL A 107 -5.254 4.692 -11.127 1.00 0.00 C ATOM 0 H VAL A 107 -7.459 3.487 -10.066 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.616 4.701 -12.639 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.762 2.636 -11.516 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.077 3.560 -13.182 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.501 2.852 -13.981 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.353 4.619 -13.829 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.178 4.528 -11.061 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.446 5.669 -11.571 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.688 4.656 -10.128 1.00 0.00 H new ATOM 381 N THR A 108 -8.263 2.811 -14.236 1.00 0.00 N ATOM 382 CA THR A 108 -8.568 1.752 -15.187 1.00 0.00 C ATOM 383 C THR A 108 -7.463 1.683 -16.260 1.00 0.00 C ATOM 384 O THR A 108 -7.146 0.583 -16.715 1.00 0.00 O ATOM 385 CB THR A 108 -10.001 1.945 -15.708 1.00 0.00 C ATOM 386 OG1 THR A 108 -10.186 3.273 -16.151 1.00 0.00 O ATOM 387 CG2 THR A 108 -11.027 1.708 -14.594 1.00 0.00 C ATOM 0 H THR A 108 -8.333 3.750 -14.629 1.00 0.00 H new ATOM 0 HA THR A 108 -8.561 0.766 -14.722 1.00 0.00 H new ATOM 0 HB THR A 108 -10.144 1.232 -16.520 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.102 3.383 -16.482 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.033 1.851 -14.989 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.926 0.690 -14.217 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.852 2.414 -13.782 1.00 0.00 H new ATOM 395 N ALA A 109 -6.826 2.806 -16.629 1.00 0.00 N ATOM 396 CA ALA A 109 -5.615 2.830 -17.456 1.00 0.00 C ATOM 397 C ALA A 109 -4.784 4.076 -17.150 1.00 0.00 C ATOM 398 O ALA A 109 -5.307 5.075 -16.653 1.00 0.00 O ATOM 399 CB ALA A 109 -5.962 2.762 -18.950 1.00 0.00 C ATOM 0 H ALA A 109 -7.145 3.735 -16.355 1.00 0.00 H new ATOM 0 HA ALA A 109 -5.022 1.949 -17.212 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -5.044 2.782 -19.538 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.505 1.840 -19.156 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.583 3.616 -19.219 1.00 0.00 H new ATOM 405 N VAL A 110 -3.504 4.036 -17.515 1.00 0.00 N ATOM 406 CA VAL A 110 -2.589 5.166 -17.506 1.00 0.00 C ATOM 407 C VAL A 110 -1.891 5.133 -18.872 1.00 0.00 C ATOM 408 O VAL A 110 -1.553 4.049 -19.359 1.00 0.00 O ATOM 409 CB VAL A 110 -1.587 4.996 -16.348 1.00 0.00 C ATOM 410 CG1 VAL A 110 -0.652 6.207 -16.229 1.00 0.00 C ATOM 411 CG2 VAL A 110 -2.291 4.773 -15.004 1.00 0.00 C ATOM 0 H VAL A 110 -3.061 3.176 -17.838 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.090 6.122 -17.354 1.00 0.00 H new ATOM 0 HB VAL A 110 -0.999 4.110 -16.586 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.041 6.052 -15.402 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.090 6.325 -17.156 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.242 7.105 -16.045 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -1.545 4.658 -14.217 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -2.927 5.630 -14.780 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.902 3.872 -15.059 1.00 0.00 H new ATOM 421 N ASN A 111 -1.672 6.299 -19.490 1.00 0.00 N ATOM 422 CA ASN A 111 -1.214 6.404 -20.875 1.00 0.00 C ATOM 423 C ASN A 111 -0.061 7.401 -20.894 1.00 0.00 C ATOM 424 O ASN A 111 -0.276 8.593 -20.668 1.00 0.00 O ATOM 425 CB ASN A 111 -2.348 6.890 -21.802 1.00 0.00 C ATOM 426 CG ASN A 111 -3.673 6.131 -21.694 1.00 0.00 C ATOM 427 OD1 ASN A 111 -3.711 4.908 -21.568 1.00 0.00 O ATOM 428 ND2 ASN A 111 -4.792 6.842 -21.741 1.00 0.00 N ATOM 0 H ASN A 111 -1.810 7.202 -19.037 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.896 5.427 -21.239 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.537 7.943 -21.592 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.000 6.828 -22.833 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.696 6.375 -21.672 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.748 7.856 -21.846 1.00 0.00 H new ATOM 435 N LYS A 112 1.164 6.939 -21.165 1.00 0.00 N ATOM 436 CA LYS A 112 2.374 7.771 -21.098 1.00 0.00 C ATOM 437 C LYS A 112 2.347 8.940 -22.096 1.00 0.00 C ATOM 438 O LYS A 112 3.095 9.901 -21.923 1.00 0.00 O ATOM 439 CB LYS A 112 3.613 6.863 -21.266 1.00 0.00 C ATOM 440 CG LYS A 112 4.980 7.535 -21.025 1.00 0.00 C ATOM 441 CD LYS A 112 5.108 8.206 -19.647 1.00 0.00 C ATOM 442 CE LYS A 112 6.533 8.709 -19.345 1.00 0.00 C ATOM 443 NZ LYS A 112 6.982 9.798 -20.256 1.00 0.00 N ATOM 0 H LYS A 112 1.347 5.973 -21.438 1.00 0.00 H new ATOM 0 HA LYS A 112 2.421 8.250 -20.120 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.518 6.021 -20.580 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.605 6.453 -22.276 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.766 6.786 -21.129 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.148 8.283 -21.800 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.415 9.045 -19.593 1.00 0.00 H new ATOM 0 HD3 LYS A 112 4.809 7.496 -18.876 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.574 9.067 -18.316 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.229 7.873 -19.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.947 10.090 -19.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.974 9.455 -21.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.339 10.611 -20.168 1.00 0.00 H new ATOM 457 N ASP A 113 1.461 8.894 -23.100 1.00 0.00 N ATOM 458 CA ASP A 113 1.177 10.026 -23.988 1.00 0.00 C ATOM 459 C ASP A 113 0.805 11.295 -23.205 1.00 0.00 C ATOM 460 O ASP A 113 1.132 12.403 -23.636 1.00 0.00 O ATOM 461 CB ASP A 113 0.039 9.658 -24.944 1.00 0.00 C ATOM 462 CG ASP A 113 -0.304 10.828 -25.883 1.00 0.00 C ATOM 463 OD1 ASP A 113 0.486 11.104 -26.820 1.00 0.00 O ATOM 464 OD2 ASP A 113 -1.365 11.472 -25.694 1.00 0.00 O ATOM 0 H ASP A 113 0.916 8.060 -23.320 1.00 0.00 H new ATOM 0 HA ASP A 113 2.085 10.240 -24.551 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.324 8.787 -25.534 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.845 9.379 -24.370 1.00 0.00 H new ATOM 469 N GLY A 114 0.170 11.133 -22.037 1.00 0.00 N ATOM 470 CA GLY A 114 -0.152 12.211 -21.106 1.00 0.00 C ATOM 471 C GLY A 114 -1.571 12.105 -20.548 1.00 0.00 C ATOM 472 O GLY A 114 -2.109 13.109 -20.074 1.00 0.00 O ATOM 0 H GLY A 114 -0.141 10.219 -21.708 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.560 12.198 -20.281 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -0.036 13.169 -21.612 1.00 0.00 H new ATOM 476 N THR A 115 -2.210 10.934 -20.635 1.00 0.00 N ATOM 477 CA THR A 115 -3.626 10.774 -20.331 1.00 0.00 C ATOM 478 C THR A 115 -3.831 9.610 -19.356 1.00 0.00 C ATOM 479 O THR A 115 -2.902 8.878 -19.002 1.00 0.00 O ATOM 480 CB THR A 115 -4.460 10.703 -21.631 1.00 0.00 C ATOM 481 OG1 THR A 115 -4.060 9.607 -22.431 1.00 0.00 O ATOM 482 CG2 THR A 115 -4.304 11.968 -22.479 1.00 0.00 C ATOM 0 H THR A 115 -1.752 10.068 -20.920 1.00 0.00 H new ATOM 0 HA THR A 115 -4.003 11.653 -19.809 1.00 0.00 H new ATOM 0 HB THR A 115 -5.498 10.593 -21.318 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.603 9.582 -23.247 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.906 11.877 -23.383 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.638 12.833 -21.906 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.257 12.096 -22.752 1.00 0.00 H new ATOM 490 N TYR A 116 -5.061 9.477 -18.885 1.00 0.00 N ATOM 491 CA TYR A 116 -5.484 8.613 -17.806 1.00 0.00 C ATOM 492 C TYR A 116 -6.886 8.133 -18.139 1.00 0.00 C ATOM 493 O TYR A 116 -7.643 8.857 -18.789 1.00 0.00 O ATOM 494 CB TYR A 116 -5.536 9.457 -16.519 1.00 0.00 C ATOM 495 CG TYR A 116 -4.401 9.201 -15.551 1.00 0.00 C ATOM 496 CD1 TYR A 116 -4.504 8.151 -14.616 1.00 0.00 C ATOM 497 CD2 TYR A 116 -3.246 10.006 -15.572 1.00 0.00 C ATOM 498 CE1 TYR A 116 -3.476 7.932 -13.681 1.00 0.00 C ATOM 499 CE2 TYR A 116 -2.220 9.799 -14.634 1.00 0.00 C ATOM 500 CZ TYR A 116 -2.332 8.760 -13.684 1.00 0.00 C ATOM 501 OH TYR A 116 -1.331 8.564 -12.778 1.00 0.00 O ATOM 0 H TYR A 116 -5.839 10.008 -19.276 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.808 7.768 -17.674 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.532 10.512 -16.792 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.480 9.263 -16.011 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -5.375 7.513 -14.618 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -3.148 10.786 -16.312 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -3.562 7.131 -12.961 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -1.346 10.434 -14.640 1.00 0.00 H new ATOM 0 HH TYR A 116 -1.436 7.684 -12.360 1.00 0.00 H new ATOM 511 N THR A 117 -7.262 6.981 -17.601 1.00 0.00 N ATOM 512 CA THR A 117 -8.622 6.489 -17.642 1.00 0.00 C ATOM 513 C THR A 117 -8.927 6.036 -16.221 1.00 0.00 C ATOM 514 O THR A 117 -8.087 5.395 -15.572 1.00 0.00 O ATOM 515 CB THR A 117 -8.771 5.362 -18.680 1.00 0.00 C ATOM 516 OG1 THR A 117 -8.052 5.667 -19.869 1.00 0.00 O ATOM 517 CG2 THR A 117 -10.240 5.151 -19.050 1.00 0.00 C ATOM 0 H THR A 117 -6.617 6.356 -17.118 1.00 0.00 H new ATOM 0 HA THR A 117 -9.333 7.252 -17.960 1.00 0.00 H new ATOM 0 HB THR A 117 -8.369 4.455 -18.228 1.00 0.00 H new ATOM 0 HG1 THR A 117 -8.160 4.936 -20.513 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.319 4.350 -19.785 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.805 4.882 -18.158 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.645 6.071 -19.472 1.00 0.00 H new ATOM 525 N VAL A 118 -10.090 6.419 -15.701 1.00 0.00 N ATOM 526 CA VAL A 118 -10.455 6.168 -14.317 1.00 0.00 C ATOM 527 C VAL A 118 -11.937 5.820 -14.256 1.00 0.00 C ATOM 528 O VAL A 118 -12.715 6.217 -15.128 1.00 0.00 O ATOM 529 CB VAL A 118 -10.130 7.396 -13.437 1.00 0.00 C ATOM 530 CG1 VAL A 118 -8.625 7.683 -13.333 1.00 0.00 C ATOM 531 CG2 VAL A 118 -10.822 8.679 -13.928 1.00 0.00 C ATOM 0 H VAL A 118 -10.806 6.914 -16.233 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.876 5.331 -13.928 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.513 7.125 -12.453 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.464 8.557 -12.702 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.120 6.822 -12.896 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.222 7.874 -14.327 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.558 9.509 -13.272 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.497 8.902 -14.944 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -11.903 8.537 -13.916 1.00 0.00 H new ATOM 541 N LYS A 119 -12.329 5.133 -13.186 1.00 0.00 N ATOM 542 CA LYS A 119 -13.704 4.794 -12.866 1.00 0.00 C ATOM 543 C LYS A 119 -14.001 5.356 -11.487 1.00 0.00 C ATOM 544 O LYS A 119 -13.268 5.069 -10.540 1.00 0.00 O ATOM 545 CB LYS A 119 -13.852 3.265 -12.929 1.00 0.00 C ATOM 546 CG LYS A 119 -15.222 2.757 -12.460 1.00 0.00 C ATOM 547 CD LYS A 119 -15.361 1.254 -12.747 1.00 0.00 C ATOM 548 CE LYS A 119 -16.771 0.779 -12.353 1.00 0.00 C ATOM 549 NZ LYS A 119 -16.986 -0.668 -12.630 1.00 0.00 N ATOM 0 H LYS A 119 -11.666 4.785 -12.493 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.418 5.220 -13.571 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.684 2.935 -13.954 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.076 2.808 -12.315 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.340 2.943 -11.392 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -16.014 3.306 -12.969 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.183 1.058 -13.804 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.609 0.696 -12.188 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.931 0.970 -11.292 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.513 1.363 -12.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -17.950 -0.936 -12.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.861 -0.849 -13.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.298 -1.231 -12.091 1.00 0.00 H new ATOM 563 N PHE A 120 -15.043 6.171 -11.367 1.00 0.00 N ATOM 564 CA PHE A 120 -15.558 6.592 -10.074 1.00 0.00 C ATOM 565 C PHE A 120 -16.429 5.458 -9.530 1.00 0.00 C ATOM 566 O PHE A 120 -17.078 4.745 -10.295 1.00 0.00 O ATOM 567 CB PHE A 120 -16.371 7.886 -10.219 1.00 0.00 C ATOM 568 CG PHE A 120 -15.540 9.128 -10.484 1.00 0.00 C ATOM 569 CD1 PHE A 120 -14.759 9.689 -9.453 1.00 0.00 C ATOM 570 CD2 PHE A 120 -15.546 9.731 -11.756 1.00 0.00 C ATOM 571 CE1 PHE A 120 -14.018 10.859 -9.684 1.00 0.00 C ATOM 572 CE2 PHE A 120 -14.788 10.892 -11.989 1.00 0.00 C ATOM 573 CZ PHE A 120 -14.021 11.455 -10.954 1.00 0.00 C ATOM 0 H PHE A 120 -15.552 6.556 -12.163 1.00 0.00 H new ATOM 0 HA PHE A 120 -14.740 6.798 -9.384 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -17.085 7.762 -11.033 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -16.950 8.040 -9.308 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -14.731 9.217 -8.482 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -16.134 9.301 -12.554 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.445 11.301 -8.883 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -14.795 11.353 -12.966 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.436 12.344 -11.136 1.00 0.00 H new ATOM 583 N TYR A 121 -16.487 5.325 -8.203 1.00 0.00 N ATOM 584 CA TYR A 121 -17.102 4.172 -7.536 1.00 0.00 C ATOM 585 C TYR A 121 -18.614 4.073 -7.768 1.00 0.00 C ATOM 586 O TYR A 121 -19.182 2.982 -7.712 1.00 0.00 O ATOM 587 CB TYR A 121 -16.780 4.236 -6.037 1.00 0.00 C ATOM 588 CG TYR A 121 -15.307 4.482 -5.777 1.00 0.00 C ATOM 589 CD1 TYR A 121 -14.370 3.469 -6.053 1.00 0.00 C ATOM 590 CD2 TYR A 121 -14.869 5.722 -5.272 1.00 0.00 C ATOM 591 CE1 TYR A 121 -12.998 3.701 -5.861 1.00 0.00 C ATOM 592 CE2 TYR A 121 -13.499 5.957 -5.079 1.00 0.00 C ATOM 593 CZ TYR A 121 -12.557 4.954 -5.384 1.00 0.00 C ATOM 594 OH TYR A 121 -11.226 5.195 -5.220 1.00 0.00 O ATOM 0 H TYR A 121 -16.107 6.017 -7.557 1.00 0.00 H new ATOM 0 HA TYR A 121 -16.679 3.269 -7.975 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -17.366 5.030 -5.575 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -17.080 3.302 -5.563 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -14.707 2.509 -6.414 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -15.588 6.492 -5.033 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -12.282 2.922 -6.078 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -13.165 6.910 -4.695 1.00 0.00 H new ATOM 0 HH TYR A 121 -10.716 4.669 -5.871 1.00 0.00 H new ATOM 604 N ASP A 122 -19.264 5.212 -8.048 1.00 0.00 N ATOM 605 CA ASP A 122 -20.691 5.264 -8.381 1.00 0.00 C ATOM 606 C ASP A 122 -21.000 4.571 -9.719 1.00 0.00 C ATOM 607 O ASP A 122 -22.109 4.068 -9.904 1.00 0.00 O ATOM 608 CB ASP A 122 -21.150 6.722 -8.401 1.00 0.00 C ATOM 609 CG ASP A 122 -22.641 6.841 -8.766 1.00 0.00 C ATOM 610 OD1 ASP A 122 -23.503 6.519 -7.912 1.00 0.00 O ATOM 611 OD2 ASP A 122 -22.953 7.260 -9.905 1.00 0.00 O ATOM 0 H ASP A 122 -18.811 6.126 -8.049 1.00 0.00 H new ATOM 0 HA ASP A 122 -21.242 4.718 -7.615 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -20.977 7.172 -7.423 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -20.553 7.282 -9.120 1.00 0.00 H new ATOM 616 N GLY A 123 -20.018 4.493 -10.632 1.00 0.00 N ATOM 617 CA GLY A 123 -20.097 3.714 -11.868 1.00 0.00 C ATOM 618 C GLY A 123 -19.580 4.460 -13.102 1.00 0.00 C ATOM 619 O GLY A 123 -19.304 3.824 -14.117 1.00 0.00 O ATOM 0 H GLY A 123 -19.130 4.982 -10.524 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -19.525 2.795 -11.744 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -21.134 3.424 -12.038 1.00 0.00 H new ATOM 623 N VAL A 124 -19.468 5.794 -13.035 1.00 0.00 N ATOM 624 CA VAL A 124 -19.012 6.634 -14.147 1.00 0.00 C ATOM 625 C VAL A 124 -17.557 6.279 -14.493 1.00 0.00 C ATOM 626 O VAL A 124 -16.749 6.003 -13.605 1.00 0.00 O ATOM 627 CB VAL A 124 -19.191 8.126 -13.762 1.00 0.00 C ATOM 628 CG1 VAL A 124 -18.749 9.088 -14.878 1.00 0.00 C ATOM 629 CG2 VAL A 124 -20.659 8.447 -13.425 1.00 0.00 C ATOM 0 H VAL A 124 -19.695 6.325 -12.195 1.00 0.00 H new ATOM 0 HA VAL A 124 -19.608 6.453 -15.042 1.00 0.00 H new ATOM 0 HB VAL A 124 -18.555 8.274 -12.889 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -18.898 10.117 -14.551 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -17.694 8.927 -15.101 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -19.342 8.903 -15.774 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -20.749 9.500 -13.160 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -21.286 8.236 -14.291 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -20.982 7.832 -12.585 1.00 0.00 H new ATOM 639 N VAL A 125 -17.203 6.340 -15.779 1.00 0.00 N ATOM 640 CA VAL A 125 -15.858 6.101 -16.299 1.00 0.00 C ATOM 641 C VAL A 125 -15.536 7.275 -17.232 1.00 0.00 C ATOM 642 O VAL A 125 -16.432 7.767 -17.926 1.00 0.00 O ATOM 643 CB VAL A 125 -15.810 4.738 -17.035 1.00 0.00 C ATOM 644 CG1 VAL A 125 -14.403 4.411 -17.568 1.00 0.00 C ATOM 645 CG2 VAL A 125 -16.242 3.570 -16.133 1.00 0.00 C ATOM 0 H VAL A 125 -17.873 6.566 -16.514 1.00 0.00 H new ATOM 0 HA VAL A 125 -15.115 6.047 -15.503 1.00 0.00 H new ATOM 0 HB VAL A 125 -16.508 4.845 -17.865 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.421 3.447 -18.075 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -14.091 5.184 -18.270 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -13.699 4.370 -16.737 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -16.191 2.638 -16.695 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -15.577 3.511 -15.271 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -17.264 3.732 -15.792 1.00 0.00 H new ATOM 655 N GLN A 126 -14.278 7.727 -17.260 1.00 0.00 N ATOM 656 CA GLN A 126 -13.843 8.809 -18.145 1.00 0.00 C ATOM 657 C GLN A 126 -12.374 8.632 -18.540 1.00 0.00 C ATOM 658 O GLN A 126 -11.593 8.061 -17.772 1.00 0.00 O ATOM 659 CB GLN A 126 -14.082 10.180 -17.467 1.00 0.00 C ATOM 660 CG GLN A 126 -13.358 10.379 -16.116 1.00 0.00 C ATOM 661 CD GLN A 126 -13.533 11.784 -15.519 1.00 0.00 C ATOM 662 OE1 GLN A 126 -14.378 12.573 -15.936 1.00 0.00 O ATOM 663 NE2 GLN A 126 -12.733 12.130 -14.519 1.00 0.00 N ATOM 0 H GLN A 126 -13.535 7.353 -16.670 1.00 0.00 H new ATOM 0 HA GLN A 126 -14.435 8.773 -19.060 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -13.764 10.967 -18.151 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -15.153 10.308 -17.310 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -13.730 9.643 -15.403 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -12.295 10.182 -16.252 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -12.033 11.473 -14.175 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -12.818 13.053 -14.094 1.00 0.00 H new ATOM 672 N THR A 127 -11.997 9.196 -19.688 1.00 0.00 N ATOM 673 CA THR A 127 -10.615 9.332 -20.137 1.00 0.00 C ATOM 674 C THR A 127 -10.311 10.828 -20.034 1.00 0.00 C ATOM 675 O THR A 127 -11.093 11.659 -20.509 1.00 0.00 O ATOM 676 CB THR A 127 -10.437 8.801 -21.574 1.00 0.00 C ATOM 677 OG1 THR A 127 -11.127 7.568 -21.744 1.00 0.00 O ATOM 678 CG2 THR A 127 -8.955 8.607 -21.913 1.00 0.00 C ATOM 0 H THR A 127 -12.669 9.583 -20.351 1.00 0.00 H new ATOM 0 HA THR A 127 -9.926 8.744 -19.531 1.00 0.00 H new ATOM 0 HB THR A 127 -10.857 9.544 -22.251 1.00 0.00 H new ATOM 0 HG1 THR A 127 -11.004 7.248 -22.662 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.861 8.232 -22.932 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.434 9.561 -21.828 1.00 0.00 H new ATOM 0 HG23 THR A 127 -8.514 7.890 -21.220 1.00 0.00 H new ATOM 686 N VAL A 128 -9.208 11.174 -19.376 1.00 0.00 N ATOM 687 CA VAL A 128 -8.859 12.536 -18.977 1.00 0.00 C ATOM 688 C VAL A 128 -7.330 12.697 -19.013 1.00 0.00 C ATOM 689 O VAL A 128 -6.615 11.751 -19.346 1.00 0.00 O ATOM 690 CB VAL A 128 -9.484 12.828 -17.586 1.00 0.00 C ATOM 691 CG1 VAL A 128 -10.982 13.160 -17.667 1.00 0.00 C ATOM 692 CG2 VAL A 128 -9.295 11.678 -16.579 1.00 0.00 C ATOM 0 H VAL A 128 -8.506 10.489 -19.095 1.00 0.00 H new ATOM 0 HA VAL A 128 -9.266 13.273 -19.669 1.00 0.00 H new ATOM 0 HB VAL A 128 -8.938 13.701 -17.228 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.366 13.355 -16.666 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -11.126 14.043 -18.289 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -11.518 12.317 -18.103 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -9.755 11.948 -15.628 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.765 10.774 -16.966 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -8.231 11.497 -16.429 1.00 0.00 H new ATOM 702 N LYS A 129 -6.807 13.886 -18.710 1.00 0.00 N ATOM 703 CA LYS A 129 -5.381 14.206 -18.854 1.00 0.00 C ATOM 704 C LYS A 129 -4.652 14.052 -17.520 1.00 0.00 C ATOM 705 O LYS A 129 -5.282 13.979 -16.469 1.00 0.00 O ATOM 706 CB LYS A 129 -5.247 15.640 -19.402 1.00 0.00 C ATOM 707 CG LYS A 129 -5.884 15.760 -20.794 1.00 0.00 C ATOM 708 CD LYS A 129 -5.706 17.178 -21.364 1.00 0.00 C ATOM 709 CE LYS A 129 -6.446 17.401 -22.696 1.00 0.00 C ATOM 710 NZ LYS A 129 -5.833 16.683 -23.846 1.00 0.00 N ATOM 0 H LYS A 129 -7.364 14.663 -18.354 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.918 13.510 -19.554 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -5.726 16.341 -18.718 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -4.194 15.916 -19.455 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -5.431 15.034 -21.469 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -6.945 15.520 -20.734 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -6.064 17.903 -20.633 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -4.643 17.371 -21.511 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -7.481 17.076 -22.586 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -6.468 18.468 -22.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -6.381 16.877 -24.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -4.854 17.009 -23.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -5.835 15.660 -23.658 1.00 0.00 H new ATOM 724 N HIS A 130 -3.318 14.091 -17.543 1.00 0.00 N ATOM 725 CA HIS A 130 -2.498 14.176 -16.327 1.00 0.00 C ATOM 726 C HIS A 130 -2.898 15.390 -15.476 1.00 0.00 C ATOM 727 O HIS A 130 -3.011 15.271 -14.261 1.00 0.00 O ATOM 728 CB HIS A 130 -1.009 14.214 -16.713 1.00 0.00 C ATOM 729 CG HIS A 130 -0.068 14.640 -15.605 1.00 0.00 C ATOM 730 ND1 HIS A 130 1.035 15.480 -15.786 1.00 0.00 N ATOM 731 CD2 HIS A 130 -0.145 14.283 -14.286 1.00 0.00 C ATOM 732 CE1 HIS A 130 1.595 15.616 -14.571 1.00 0.00 C ATOM 733 NE2 HIS A 130 0.903 14.916 -13.652 1.00 0.00 N ATOM 0 H HIS A 130 -2.773 14.065 -18.405 1.00 0.00 H new ATOM 0 HA HIS A 130 -2.672 13.291 -15.715 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -0.714 13.223 -17.058 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -0.885 14.895 -17.555 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -0.880 13.635 -13.832 1.00 0.00 H new ATOM 0 HE1 HIS A 130 2.476 16.204 -14.362 1.00 0.00 H new ATOM 0 HE2 HIS A 130 1.118 14.863 -12.656 1.00 0.00 H new ATOM 741 N ILE A 131 -3.219 16.534 -16.088 1.00 0.00 N ATOM 742 CA ILE A 131 -3.703 17.708 -15.348 1.00 0.00 C ATOM 743 C ILE A 131 -5.045 17.472 -14.630 1.00 0.00 C ATOM 744 O ILE A 131 -5.482 18.338 -13.869 1.00 0.00 O ATOM 745 CB ILE A 131 -3.755 18.959 -16.249 1.00 0.00 C ATOM 746 CG1 ILE A 131 -4.641 18.768 -17.499 1.00 0.00 C ATOM 747 CG2 ILE A 131 -2.321 19.358 -16.622 1.00 0.00 C ATOM 748 CD1 ILE A 131 -4.991 20.085 -18.205 1.00 0.00 C ATOM 0 H ILE A 131 -3.153 16.674 -17.096 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.972 17.887 -14.559 1.00 0.00 H new ATOM 0 HB ILE A 131 -4.227 19.766 -15.688 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.128 18.113 -18.202 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -5.563 18.264 -17.208 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -2.343 20.242 -17.259 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.757 19.579 -15.716 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -1.842 18.537 -17.156 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -5.615 19.877 -19.074 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.532 20.734 -17.517 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.075 20.580 -18.526 1.00 0.00 H new ATOM 760 N HIS A 132 -5.696 16.321 -14.836 1.00 0.00 N ATOM 761 CA HIS A 132 -6.974 15.982 -14.227 1.00 0.00 C ATOM 762 C HIS A 132 -6.870 14.784 -13.276 1.00 0.00 C ATOM 763 O HIS A 132 -7.866 14.470 -12.624 1.00 0.00 O ATOM 764 CB HIS A 132 -8.000 15.641 -15.319 1.00 0.00 C ATOM 765 CG HIS A 132 -8.173 16.649 -16.428 1.00 0.00 C ATOM 766 ND1 HIS A 132 -8.336 16.318 -17.775 1.00 0.00 N ATOM 767 CD2 HIS A 132 -8.200 18.007 -16.296 1.00 0.00 C ATOM 768 CE1 HIS A 132 -8.470 17.487 -18.420 1.00 0.00 C ATOM 769 NE2 HIS A 132 -8.395 18.517 -17.558 1.00 0.00 N ATOM 0 H HIS A 132 -5.335 15.587 -15.446 1.00 0.00 H new ATOM 0 HA HIS A 132 -7.288 16.853 -13.652 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -7.716 14.689 -15.767 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -8.968 15.492 -14.841 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -8.090 18.570 -15.381 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -8.618 17.587 -19.485 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -8.470 19.505 -17.799 1.00 0.00 H new ATOM 777 N VAL A 133 -5.742 14.069 -13.210 1.00 0.00 N ATOM 778 CA VAL A 133 -5.592 12.873 -12.368 1.00 0.00 C ATOM 779 C VAL A 133 -4.195 12.807 -11.759 1.00 0.00 C ATOM 780 O VAL A 133 -3.196 13.042 -12.440 1.00 0.00 O ATOM 781 CB VAL A 133 -5.896 11.585 -13.164 1.00 0.00 C ATOM 782 CG1 VAL A 133 -5.930 10.348 -12.254 1.00 0.00 C ATOM 783 CG2 VAL A 133 -7.243 11.649 -13.889 1.00 0.00 C ATOM 0 H VAL A 133 -4.903 14.303 -13.741 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.317 12.948 -11.558 1.00 0.00 H new ATOM 0 HB VAL A 133 -5.088 11.504 -13.891 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -6.147 9.463 -12.852 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.963 10.229 -11.766 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.705 10.474 -11.498 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -7.408 10.719 -14.433 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -8.042 11.790 -13.161 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -7.240 12.484 -14.590 1.00 0.00 H new ATOM 793 N LYS A 134 -4.109 12.405 -10.488 1.00 0.00 N ATOM 794 CA LYS A 134 -2.849 12.140 -9.799 1.00 0.00 C ATOM 795 C LYS A 134 -3.046 11.043 -8.751 1.00 0.00 C ATOM 796 O LYS A 134 -4.175 10.641 -8.494 1.00 0.00 O ATOM 797 CB LYS A 134 -2.294 13.455 -9.208 1.00 0.00 C ATOM 798 CG LYS A 134 -3.223 14.158 -8.195 1.00 0.00 C ATOM 799 CD LYS A 134 -2.567 15.440 -7.660 1.00 0.00 C ATOM 800 CE LYS A 134 -3.457 16.127 -6.609 1.00 0.00 C ATOM 801 NZ LYS A 134 -2.820 17.347 -6.035 1.00 0.00 N ATOM 0 H LYS A 134 -4.929 12.253 -9.901 1.00 0.00 H new ATOM 0 HA LYS A 134 -2.103 11.768 -10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.343 13.243 -8.720 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -2.086 14.144 -10.026 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.173 14.401 -8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.445 13.484 -7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -1.600 15.199 -7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -2.379 16.127 -8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -4.410 16.398 -7.064 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -3.676 15.423 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -3.555 17.976 -5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -2.169 17.072 -5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -2.291 17.845 -6.779 1.00 0.00 H new ATOM 815 N ALA A 135 -1.962 10.573 -8.132 1.00 0.00 N ATOM 816 CA ALA A 135 -1.979 9.645 -7.001 1.00 0.00 C ATOM 817 C ALA A 135 -2.845 10.185 -5.853 1.00 0.00 C ATOM 818 O ALA A 135 -3.155 11.375 -5.808 1.00 0.00 O ATOM 819 CB ALA A 135 -0.528 9.468 -6.532 1.00 0.00 C ATOM 0 H ALA A 135 -1.018 10.837 -8.413 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.409 8.692 -7.307 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.500 8.780 -5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.071 9.065 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.124 10.433 -6.228 1.00 0.00 H new ATOM 825 N PHE A 136 -3.185 9.335 -4.869 1.00 0.00 N ATOM 826 CA PHE A 136 -3.818 9.825 -3.635 1.00 0.00 C ATOM 827 C PHE A 136 -2.841 10.692 -2.816 1.00 0.00 C ATOM 828 O PHE A 136 -3.262 11.394 -1.896 1.00 0.00 O ATOM 829 CB PHE A 136 -4.414 8.679 -2.801 1.00 0.00 C ATOM 830 CG PHE A 136 -5.432 9.139 -1.766 1.00 0.00 C ATOM 831 CD1 PHE A 136 -6.625 9.771 -2.175 1.00 0.00 C ATOM 832 CD2 PHE A 136 -5.189 8.939 -0.392 1.00 0.00 C ATOM 833 CE1 PHE A 136 -7.551 10.229 -1.219 1.00 0.00 C ATOM 834 CE2 PHE A 136 -6.126 9.375 0.561 1.00 0.00 C ATOM 835 CZ PHE A 136 -7.299 10.030 0.149 1.00 0.00 C ATOM 0 H PHE A 136 -3.036 8.327 -4.902 1.00 0.00 H new ATOM 0 HA PHE A 136 -4.653 10.462 -3.925 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -4.889 7.963 -3.471 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.606 8.153 -2.293 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.829 9.904 -3.227 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.281 8.450 -0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.453 10.732 -1.536 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -5.944 9.206 1.612 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.008 10.381 0.885 1.00 0.00 H new ATOM 845 N SER A 137 -1.549 10.697 -3.167 1.00 0.00 N ATOM 846 CA SER A 137 -0.564 11.615 -2.631 1.00 0.00 C ATOM 847 C SER A 137 -0.945 13.045 -3.014 1.00 0.00 C ATOM 848 O SER A 137 -1.057 13.383 -4.194 1.00 0.00 O ATOM 849 CB SER A 137 0.811 11.262 -3.196 1.00 0.00 C ATOM 850 OG SER A 137 1.093 9.902 -2.923 1.00 0.00 O ATOM 0 H SER A 137 -1.161 10.044 -3.848 1.00 0.00 H new ATOM 0 HA SER A 137 -0.532 11.537 -1.544 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.832 11.441 -4.271 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.575 11.900 -2.751 1.00 0.00 H new ATOM 0 HG SER A 137 0.648 9.336 -3.588 1.00 0.00 H new ATOM 856 N LYS A 138 -1.135 13.888 -1.995 1.00 0.00 N ATOM 857 CA LYS A 138 -1.548 15.277 -2.164 1.00 0.00 C ATOM 858 C LYS A 138 -0.543 16.043 -3.029 1.00 0.00 C ATOM 859 O LYS A 138 -0.937 16.784 -3.928 1.00 0.00 O ATOM 860 CB LYS A 138 -1.672 15.904 -0.764 1.00 0.00 C ATOM 861 CG LYS A 138 -2.372 17.270 -0.746 1.00 0.00 C ATOM 862 CD LYS A 138 -2.282 17.947 0.634 1.00 0.00 C ATOM 863 CE LYS A 138 -2.789 17.056 1.786 1.00 0.00 C ATOM 864 NZ LYS A 138 -2.769 17.767 3.093 1.00 0.00 N ATOM 0 H LYS A 138 -1.004 13.618 -1.020 1.00 0.00 H new ATOM 0 HA LYS A 138 -2.508 15.327 -2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -2.221 15.218 -0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -0.675 16.014 -0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -1.921 17.918 -1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -3.419 17.144 -1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -1.246 18.224 0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -2.861 18.870 0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -3.805 16.726 1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -2.170 16.161 1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -3.117 17.132 3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -1.796 18.060 3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -3.380 18.607 3.041 1.00 0.00 H new ATOM 878 N ASP A 139 0.748 15.836 -2.744 1.00 0.00 N ATOM 879 CA ASP A 139 1.867 16.613 -3.280 1.00 0.00 C ATOM 880 C ASP A 139 1.932 16.618 -4.809 1.00 0.00 C ATOM 881 O ASP A 139 1.823 17.679 -5.427 1.00 0.00 O ATOM 882 CB ASP A 139 3.178 16.063 -2.700 1.00 0.00 C ATOM 883 CG ASP A 139 4.406 16.782 -3.286 1.00 0.00 C ATOM 884 OD1 ASP A 139 4.510 18.024 -3.143 1.00 0.00 O ATOM 885 OD2 ASP A 139 5.269 16.102 -3.888 1.00 0.00 O ATOM 0 H ASP A 139 1.051 15.096 -2.111 1.00 0.00 H new ATOM 0 HA ASP A 139 1.713 17.650 -2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 139 3.172 16.177 -1.616 1.00 0.00 H new ATOM 0 HB3 ASP A 139 3.248 14.995 -2.908 1.00 0.00 H new ATOM 890 N GLN A 140 2.094 15.441 -5.421 1.00 0.00 N ATOM 891 CA GLN A 140 2.382 15.263 -6.842 1.00 0.00 C ATOM 892 C GLN A 140 1.885 13.880 -7.265 1.00 0.00 C ATOM 893 O GLN A 140 1.645 13.011 -6.422 1.00 0.00 O ATOM 894 CB GLN A 140 3.907 15.339 -7.086 1.00 0.00 C ATOM 895 CG GLN A 140 4.491 16.758 -7.130 1.00 0.00 C ATOM 896 CD GLN A 140 6.011 16.716 -7.305 1.00 0.00 C ATOM 897 OE1 GLN A 140 6.536 16.877 -8.405 1.00 0.00 O ATOM 898 NE2 GLN A 140 6.748 16.497 -6.227 1.00 0.00 N ATOM 0 H GLN A 140 2.025 14.555 -4.920 1.00 0.00 H new ATOM 0 HA GLN A 140 1.887 16.046 -7.417 1.00 0.00 H new ATOM 0 HB2 GLN A 140 4.413 14.779 -6.300 1.00 0.00 H new ATOM 0 HB3 GLN A 140 4.133 14.841 -8.029 1.00 0.00 H new ATOM 0 HG2 GLN A 140 4.041 17.316 -7.951 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.241 17.288 -6.211 1.00 0.00 H new ATOM 0 HE21 GLN A 140 6.299 16.365 -5.321 1.00 0.00 H new ATOM 0 HE22 GLN A 140 7.764 16.460 -6.303 1.00 0.00 H new ATOM 907 N ASN A 141 1.774 13.658 -8.577 1.00 0.00 N ATOM 908 CA ASN A 141 1.523 12.322 -9.118 1.00 0.00 C ATOM 909 C ASN A 141 2.782 11.462 -9.005 1.00 0.00 C ATOM 910 O ASN A 141 3.860 11.993 -8.745 1.00 0.00 O ATOM 911 CB ASN A 141 1.092 12.418 -10.595 1.00 0.00 C ATOM 912 CG ASN A 141 0.426 11.138 -11.077 1.00 0.00 C ATOM 913 OD1 ASN A 141 0.022 10.320 -10.263 1.00 0.00 O ATOM 914 ND2 ASN A 141 0.297 10.932 -12.370 1.00 0.00 N ATOM 0 H ASN A 141 1.854 14.388 -9.285 1.00 0.00 H new ATOM 0 HA ASN A 141 0.722 11.860 -8.542 1.00 0.00 H new ATOM 0 HB2 ASN A 141 0.403 13.254 -10.718 1.00 0.00 H new ATOM 0 HB3 ASN A 141 1.964 12.629 -11.214 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -0.146 10.078 -12.709 1.00 0.00 H new ATOM 0 HD22 ASN A 141 0.640 11.626 -13.034 1.00 0.00 H new ATOM 921 N ILE A 142 2.680 10.157 -9.290 1.00 0.00 N ATOM 922 CA ILE A 142 3.830 9.258 -9.286 1.00 0.00 C ATOM 923 C ILE A 142 3.975 8.604 -10.658 1.00 0.00 C ATOM 924 O ILE A 142 4.893 8.982 -11.379 1.00 0.00 O ATOM 925 CB ILE A 142 3.798 8.316 -8.053 1.00 0.00 C ATOM 926 CG1 ILE A 142 3.707 9.158 -6.754 1.00 0.00 C ATOM 927 CG2 ILE A 142 5.061 7.444 -8.055 1.00 0.00 C ATOM 928 CD1 ILE A 142 3.861 8.394 -5.434 1.00 0.00 C ATOM 0 H ILE A 142 1.799 9.701 -9.528 1.00 0.00 H new ATOM 0 HA ILE A 142 4.762 9.806 -9.146 1.00 0.00 H new ATOM 0 HB ILE A 142 2.923 7.668 -8.100 1.00 0.00 H new ATOM 0 HG12 ILE A 142 4.475 9.930 -6.793 1.00 0.00 H new ATOM 0 HG13 ILE A 142 2.743 9.667 -6.744 1.00 0.00 H new ATOM 0 HG21 ILE A 142 5.046 6.779 -7.191 1.00 0.00 H new ATOM 0 HG22 ILE A 142 5.092 6.851 -8.969 1.00 0.00 H new ATOM 0 HG23 ILE A 142 5.944 8.082 -8.006 1.00 0.00 H new ATOM 0 HD11 ILE A 142 3.779 9.090 -4.599 1.00 0.00 H new ATOM 0 HD12 ILE A 142 3.078 7.640 -5.356 1.00 0.00 H new ATOM 0 HD13 ILE A 142 4.836 7.908 -5.407 1.00 0.00 H new ATOM 940 N VAL A 143 3.084 7.709 -11.093 1.00 0.00 N ATOM 941 CA VAL A 143 3.342 6.913 -12.312 1.00 0.00 C ATOM 942 C VAL A 143 3.433 7.744 -13.606 1.00 0.00 C ATOM 943 O VAL A 143 4.040 7.286 -14.572 1.00 0.00 O ATOM 944 CB VAL A 143 2.366 5.725 -12.463 1.00 0.00 C ATOM 945 CG1 VAL A 143 2.543 4.739 -11.302 1.00 0.00 C ATOM 946 CG2 VAL A 143 0.887 6.122 -12.584 1.00 0.00 C ATOM 0 H VAL A 143 2.193 7.514 -10.636 1.00 0.00 H new ATOM 0 HA VAL A 143 4.340 6.501 -12.161 1.00 0.00 H new ATOM 0 HB VAL A 143 2.629 5.256 -13.411 1.00 0.00 H new ATOM 0 HG11 VAL A 143 1.849 3.907 -11.422 1.00 0.00 H new ATOM 0 HG12 VAL A 143 3.565 4.361 -11.299 1.00 0.00 H new ATOM 0 HG13 VAL A 143 2.341 5.247 -10.359 1.00 0.00 H new ATOM 0 HG21 VAL A 143 0.277 5.225 -12.686 1.00 0.00 H new ATOM 0 HG22 VAL A 143 0.583 6.668 -11.691 1.00 0.00 H new ATOM 0 HG23 VAL A 143 0.751 6.755 -13.461 1.00 0.00 H new ATOM 956 N GLY A 144 2.893 8.970 -13.620 1.00 0.00 N ATOM 957 CA GLY A 144 2.947 9.866 -14.778 1.00 0.00 C ATOM 958 C GLY A 144 3.885 11.054 -14.553 1.00 0.00 C ATOM 959 O GLY A 144 3.714 12.081 -15.208 1.00 0.00 O ATOM 0 H GLY A 144 2.403 9.369 -12.820 1.00 0.00 H new ATOM 0 HA2 GLY A 144 3.278 9.306 -15.652 1.00 0.00 H new ATOM 0 HA3 GLY A 144 1.945 10.234 -14.996 1.00 0.00 H new ATOM 963 N ASN A 145 4.820 10.971 -13.589 1.00 0.00 N ATOM 964 CA ASN A 145 5.636 12.121 -13.165 1.00 0.00 C ATOM 965 C ASN A 145 7.005 11.720 -12.595 1.00 0.00 C ATOM 966 O ASN A 145 8.001 12.359 -12.922 1.00 0.00 O ATOM 967 CB ASN A 145 4.825 12.911 -12.115 1.00 0.00 C ATOM 968 CG ASN A 145 5.656 13.927 -11.337 1.00 0.00 C ATOM 969 OD1 ASN A 145 6.222 13.580 -10.311 1.00 0.00 O ATOM 970 ND2 ASN A 145 5.749 15.167 -11.784 1.00 0.00 N ATOM 0 H ASN A 145 5.030 10.109 -13.085 1.00 0.00 H new ATOM 0 HA ASN A 145 5.852 12.731 -14.042 1.00 0.00 H new ATOM 0 HB2 ASN A 145 4.008 13.430 -12.615 1.00 0.00 H new ATOM 0 HB3 ASN A 145 4.375 12.209 -11.413 1.00 0.00 H new ATOM 0 HD21 ASN A 145 6.301 15.854 -11.270 1.00 0.00 H new ATOM 0 HD22 ASN A 145 5.269 15.437 -12.643 1.00 0.00 H new ATOM 977 N ALA A 146 7.069 10.662 -11.781 1.00 0.00 N ATOM 978 CA ALA A 146 8.260 10.065 -11.164 1.00 0.00 C ATOM 979 C ALA A 146 9.091 10.979 -10.232 1.00 0.00 C ATOM 980 O ALA A 146 10.168 10.561 -9.801 1.00 0.00 O ATOM 981 CB ALA A 146 9.114 9.384 -12.246 1.00 0.00 C ATOM 0 H ALA A 146 6.222 10.160 -11.514 1.00 0.00 H new ATOM 0 HA ALA A 146 7.882 9.320 -10.463 1.00 0.00 H new ATOM 0 HB1 ALA A 146 9.998 8.941 -11.787 1.00 0.00 H new ATOM 0 HB2 ALA A 146 8.529 8.604 -12.734 1.00 0.00 H new ATOM 0 HB3 ALA A 146 9.421 10.123 -12.986 1.00 0.00 H new ATOM 987 N ARG A 147 8.621 12.186 -9.880 1.00 0.00 N ATOM 988 CA ARG A 147 9.261 13.066 -8.890 1.00 0.00 C ATOM 989 C ARG A 147 8.445 13.124 -7.593 1.00 0.00 C ATOM 990 O ARG A 147 9.017 13.432 -6.544 1.00 0.00 O ATOM 991 CB ARG A 147 9.466 14.495 -9.438 1.00 0.00 C ATOM 992 CG ARG A 147 10.586 14.674 -10.480 1.00 0.00 C ATOM 993 CD ARG A 147 10.233 14.089 -11.851 1.00 0.00 C ATOM 994 NE ARG A 147 11.215 14.449 -12.889 1.00 0.00 N ATOM 995 CZ ARG A 147 11.147 14.069 -14.174 1.00 0.00 C ATOM 996 NH1 ARG A 147 10.141 13.306 -14.604 1.00 0.00 N ATOM 997 NH2 ARG A 147 12.093 14.458 -15.027 1.00 0.00 N ATOM 0 H ARG A 147 7.772 12.584 -10.282 1.00 0.00 H new ATOM 0 HA ARG A 147 10.240 12.638 -8.676 1.00 0.00 H new ATOM 0 HB2 ARG A 147 8.529 14.828 -9.883 1.00 0.00 H new ATOM 0 HB3 ARG A 147 9.672 15.157 -8.597 1.00 0.00 H new ATOM 0 HG2 ARG A 147 10.804 15.736 -10.591 1.00 0.00 H new ATOM 0 HG3 ARG A 147 11.495 14.198 -10.112 1.00 0.00 H new ATOM 0 HD2 ARG A 147 10.172 13.003 -11.774 1.00 0.00 H new ATOM 0 HD3 ARG A 147 9.247 14.443 -12.150 1.00 0.00 H new ATOM 0 HE ARG A 147 12.005 15.030 -12.610 1.00 0.00 H new ATOM 0 HH11 ARG A 147 9.414 13.006 -13.954 1.00 0.00 H new ATOM 0 HH12 ARG A 147 10.098 13.022 -15.583 1.00 0.00 H new ATOM 0 HH21 ARG A 147 12.864 15.042 -14.702 1.00 0.00 H new ATOM 0 HH22 ARG A 147 12.047 14.172 -16.005 1.00 0.00 H new ATOM 1011 N GLY A 200 7.138 12.842 -7.640 1.00 0.00 N ATOM 1012 CA GLY A 200 6.302 12.751 -6.452 1.00 0.00 C ATOM 1013 C GLY A 200 6.680 11.587 -5.544 1.00 0.00 C ATOM 1014 O GLY A 200 7.478 10.711 -5.896 1.00 0.00 O ATOM 0 H GLY A 200 6.634 12.671 -8.510 1.00 0.00 H new ATOM 0 HA2 GLY A 200 6.377 13.682 -5.890 1.00 0.00 H new ATOM 0 HA3 GLY A 200 5.260 12.645 -6.755 1.00 0.00 H new ATOM 1018 N SER A 201 6.041 11.597 -4.375 1.00 0.00 N ATOM 1019 CA SER A 201 6.347 10.755 -3.229 1.00 0.00 C ATOM 1020 C SER A 201 5.044 10.425 -2.489 1.00 0.00 C ATOM 1021 O SER A 201 4.033 11.107 -2.669 1.00 0.00 O ATOM 1022 CB SER A 201 7.303 11.558 -2.337 1.00 0.00 C ATOM 1023 OG SER A 201 8.582 11.693 -2.943 1.00 0.00 O ATOM 0 H SER A 201 5.258 12.225 -4.197 1.00 0.00 H new ATOM 0 HA SER A 201 6.811 9.813 -3.522 1.00 0.00 H new ATOM 0 HB2 SER A 201 6.883 12.545 -2.146 1.00 0.00 H new ATOM 0 HB3 SER A 201 7.406 11.063 -1.372 1.00 0.00 H new ATOM 0 HG SER A 201 9.170 12.210 -2.354 1.00 0.00 H new ATOM 1029 N ARG A 363 5.046 9.357 -1.683 1.00 0.00 N ATOM 1030 CA ARG A 363 3.855 8.881 -0.975 1.00 0.00 C ATOM 1031 C ARG A 363 3.356 9.961 -0.007 1.00 0.00 C ATOM 1032 O ARG A 363 4.134 10.472 0.801 1.00 0.00 O ATOM 1033 CB ARG A 363 4.207 7.570 -0.244 1.00 0.00 C ATOM 1034 CG ARG A 363 3.043 6.889 0.496 1.00 0.00 C ATOM 1035 CD ARG A 363 1.880 6.485 -0.422 1.00 0.00 C ATOM 1036 NE ARG A 363 0.923 5.613 0.290 1.00 0.00 N ATOM 1037 CZ ARG A 363 0.923 4.270 0.317 1.00 0.00 C ATOM 1038 NH1 ARG A 363 1.841 3.568 -0.348 1.00 0.00 N ATOM 1039 NH2 ARG A 363 -0.005 3.628 1.023 1.00 0.00 N ATOM 0 H ARG A 363 5.879 8.797 -1.504 1.00 0.00 H new ATOM 0 HA ARG A 363 3.046 8.679 -1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 363 4.613 6.867 -0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 363 5.000 7.777 0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 363 3.418 6.001 1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 363 2.669 7.564 1.266 1.00 0.00 H new ATOM 0 HD2 ARG A 363 1.367 7.378 -0.780 1.00 0.00 H new ATOM 0 HD3 ARG A 363 2.267 5.966 -1.299 1.00 0.00 H new ATOM 0 HE ARG A 363 0.185 6.080 0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 363 2.559 4.050 -0.889 1.00 0.00 H new ATOM 0 HH12 ARG A 363 1.825 2.549 -0.316 1.00 0.00 H new ATOM 0 HH21 ARG A 363 -0.709 4.156 1.538 1.00 0.00 H new ATOM 0 HH22 ARG A 363 -0.012 2.608 1.048 1.00 0.00 H new ATOM 1053 N ALA A 364 2.057 10.264 -0.061 1.00 0.00 N ATOM 1054 CA ALA A 364 1.324 11.105 0.884 1.00 0.00 C ATOM 1055 C ALA A 364 -0.147 10.649 0.862 1.00 0.00 C ATOM 1056 O ALA A 364 -0.464 9.619 0.259 1.00 0.00 O ATOM 1057 CB ALA A 364 1.493 12.586 0.495 1.00 0.00 C ATOM 0 H ALA A 364 1.457 9.909 -0.806 1.00 0.00 H new ATOM 0 HA ALA A 364 1.707 11.005 1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 364 0.946 13.212 1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 364 2.550 12.850 0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 364 1.102 12.745 -0.510 1.00 0.00 H new ATOM 1063 N HIS A 365 -1.055 11.417 1.468 1.00 0.00 N ATOM 1064 CA HIS A 365 -2.497 11.167 1.426 1.00 0.00 C ATOM 1065 C HIS A 365 -3.254 12.493 1.428 1.00 0.00 C ATOM 1066 O HIS A 365 -2.661 13.543 1.699 1.00 0.00 O ATOM 1067 CB HIS A 365 -2.911 10.283 2.618 1.00 0.00 C ATOM 1068 CG HIS A 365 -2.819 10.970 3.963 1.00 0.00 C ATOM 1069 ND1 HIS A 365 -1.656 11.109 4.732 1.00 0.00 N ATOM 1070 CD2 HIS A 365 -3.863 11.554 4.622 1.00 0.00 C ATOM 1071 CE1 HIS A 365 -2.038 11.772 5.840 1.00 0.00 C ATOM 1072 NE2 HIS A 365 -3.352 12.052 5.800 1.00 0.00 N ATOM 0 H HIS A 365 -0.805 12.244 2.011 1.00 0.00 H new ATOM 0 HA HIS A 365 -2.749 10.636 0.508 1.00 0.00 H new ATOM 0 HB2 HIS A 365 -3.936 9.944 2.465 1.00 0.00 H new ATOM 0 HB3 HIS A 365 -2.280 9.394 2.633 1.00 0.00 H new ATOM 0 HD2 HIS A 365 -4.888 11.614 4.286 1.00 0.00 H new ATOM 0 HE1 HIS A 365 -1.378 12.042 6.651 1.00 0.00 H new ATOM 0 HE2 HIS A 365 -3.880 12.548 6.518 1.00 0.00 H new ATOM 1080 N SER A 366 -4.554 12.447 1.131 1.00 0.00 N ATOM 1081 CA SER A 366 -5.392 13.619 0.880 1.00 0.00 C ATOM 1082 C SER A 366 -6.756 13.485 1.584 1.00 0.00 C ATOM 1083 O SER A 366 -7.007 12.493 2.278 1.00 0.00 O ATOM 1084 CB SER A 366 -5.552 13.780 -0.637 1.00 0.00 C ATOM 1085 OG SER A 366 -4.299 13.835 -1.287 1.00 0.00 O ATOM 0 H SER A 366 -5.066 11.568 1.057 1.00 0.00 H new ATOM 0 HA SER A 366 -4.918 14.511 1.290 1.00 0.00 H new ATOM 0 HB2 SER A 366 -6.132 12.947 -1.033 1.00 0.00 H new ATOM 0 HB3 SER A 366 -6.114 14.689 -0.850 1.00 0.00 H new ATOM 0 HG SER A 366 -3.994 12.925 -1.488 1.00 0.00 H new ATOM 1091 N SER A 367 -7.640 14.478 1.402 1.00 0.00 N ATOM 1092 CA SER A 367 -8.886 14.611 2.165 1.00 0.00 C ATOM 1093 C SER A 367 -10.115 14.888 1.279 1.00 0.00 C ATOM 1094 O SER A 367 -11.202 15.128 1.804 1.00 0.00 O ATOM 1095 CB SER A 367 -8.702 15.715 3.222 1.00 0.00 C ATOM 1096 OG SER A 367 -7.492 15.543 3.962 1.00 0.00 O ATOM 0 H SER A 367 -7.506 15.218 0.713 1.00 0.00 H new ATOM 0 HA SER A 367 -9.088 13.656 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 367 -8.694 16.689 2.733 1.00 0.00 H new ATOM 0 HB3 SER A 367 -9.551 15.709 3.906 1.00 0.00 H new ATOM 0 HG SER A 367 -7.407 16.262 4.622 1.00 0.00 H new ATOM 1102 N HIS A 368 -9.979 14.842 -0.054 1.00 0.00 N ATOM 1103 CA HIS A 368 -11.021 15.192 -1.031 1.00 0.00 C ATOM 1104 C HIS A 368 -12.095 14.090 -1.175 1.00 0.00 C ATOM 1105 O HIS A 368 -12.643 13.894 -2.261 1.00 0.00 O ATOM 1106 CB HIS A 368 -10.374 15.494 -2.399 1.00 0.00 C ATOM 1107 CG HIS A 368 -9.178 16.409 -2.363 1.00 0.00 C ATOM 1108 ND1 HIS A 368 -7.896 16.029 -1.962 1.00 0.00 N ATOM 1109 CD2 HIS A 368 -9.166 17.727 -2.715 1.00 0.00 C ATOM 1110 CE1 HIS A 368 -7.136 17.132 -2.090 1.00 0.00 C ATOM 1111 NE2 HIS A 368 -7.873 18.164 -2.535 1.00 0.00 N ATOM 0 H HIS A 368 -9.109 14.549 -0.498 1.00 0.00 H new ATOM 0 HA HIS A 368 -11.531 16.081 -0.660 1.00 0.00 H new ATOM 0 HB2 HIS A 368 -10.074 14.551 -2.856 1.00 0.00 H new ATOM 0 HB3 HIS A 368 -11.129 15.937 -3.049 1.00 0.00 H new ATOM 0 HD2 HIS A 368 -10.004 18.311 -3.065 1.00 0.00 H new ATOM 0 HE1 HIS A 368 -6.081 17.181 -1.866 1.00 0.00 H new ATOM 0 HE2 HIS A 368 -7.533 19.110 -2.710 1.00 0.00 H new ATOM 1119 N LEU A 369 -12.343 13.305 -0.121 1.00 0.00 N ATOM 1120 CA LEU A 369 -13.278 12.184 -0.144 1.00 0.00 C ATOM 1121 C LEU A 369 -14.700 12.686 -0.436 1.00 0.00 C ATOM 1122 O LEU A 369 -15.070 13.795 -0.041 1.00 0.00 O ATOM 1123 CB LEU A 369 -13.244 11.419 1.192 1.00 0.00 C ATOM 1124 CG LEU A 369 -11.868 10.868 1.619 1.00 0.00 C ATOM 1125 CD1 LEU A 369 -12.007 10.114 2.943 1.00 0.00 C ATOM 1126 CD2 LEU A 369 -11.248 9.930 0.574 1.00 0.00 C ATOM 0 H LEU A 369 -11.891 13.436 0.784 1.00 0.00 H new ATOM 0 HA LEU A 369 -12.977 11.500 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 369 -13.608 12.082 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 369 -13.944 10.586 1.129 1.00 0.00 H new ATOM 0 HG LEU A 369 -11.203 11.725 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 369 -11.034 9.725 3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 369 -12.380 10.792 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 369 -12.706 9.287 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 369 -10.281 9.575 0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 369 -11.909 9.079 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 369 -11.112 10.469 -0.364 1.00 0.00 H new