USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 874 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 7 ASN : amide:sc= -2.65 K(o=-1.6,f=-7.9!) USER MOD Set 1.2: A 113 THR OG1 : rot -22:sc= 1.02 USER MOD Set 2.1: A 93 MET CE :methyl 170:sc= -2.15 (180deg=-2.14) USER MOD Set 2.2: A 96 SER OG : rot 180:sc= 0.0467 USER MOD Set 3.1: A 34 MET CE :methyl 159:sc= -1.74 (180deg=-3.23!) USER MOD Set 3.2: A 58 HIS : no HD1:sc= -0.339 K(o=-2.1,f=-4.4) USER MOD Single : A 2 ASN : amide:sc= -0.508 K(o=-0.51,f=0.54) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.499 USER MOD Single : A 8 GLN : amide:sc= -8.39! C(o=-8.4!,f=-3.2!) USER MOD Single : A 9 GLN : amide:sc= 0.724 K(o=0.72,f=-0.017) USER MOD Single : A 10 LYS NZ :NH3+ 149:sc= 1.73 (180deg=0.742) USER MOD Single : A 15 SER OG : rot 8:sc= 0.247 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 36 SER OG : rot 42:sc= 0.416 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 83:sc= 0.0253 USER MOD Single : A 42 THR OG1 : rot 22:sc= -1.78 USER MOD Single : A 45 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.2) USER MOD Single : A 47 SER OG : rot -150:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 30:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.308) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -165:sc= 1.02 (180deg=0.598) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0136 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot -160:sc= -0.947 USER MOD Single : A 81 LYS NZ :NH3+ 157:sc= -0.52! (180deg=-1.77!) USER MOD Single : A 82 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.512) USER MOD Single : A 84 LYS NZ :NH3+ -136:sc= 0.66 (180deg=0.363) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -1.84 K(o=-1.8,f=-0.35) USER MOD Single : A 89 GLN : amide:sc= -10.9! C(o=-11!,f=-3.6!) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 95 THR OG1 : rot 70:sc= 1.27 USER MOD Single : A 98 MET CE :methyl 164:sc= -0.395 (180deg=-0.891) USER MOD Single : A 103 HIS : no HD1:sc= -0.877 K(o=-0.88,f=-3.6!) USER MOD Single : A 105 THR OG1 : rot 32:sc= 0.0324 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -119:sc= 0.0257 USER MOD Single : A 114 ASN : amide:sc= -4.9! C(o=-4.9!,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 18 N ASN A 2 -0.967 4.714 8.036 1.00 0.00 N ATOM 19 CA ASN A 2 -1.936 5.472 7.234 1.00 0.00 C ATOM 20 C ASN A 2 -2.712 6.356 8.179 1.00 0.00 C ATOM 21 O ASN A 2 -3.577 5.893 8.884 1.00 0.00 O ATOM 22 CB ASN A 2 -2.925 4.532 6.519 1.00 0.00 C ATOM 23 CG ASN A 2 -2.284 3.582 5.525 1.00 0.00 C ATOM 24 OD1 ASN A 2 -1.140 3.179 5.671 1.00 0.00 O ATOM 25 ND2 ASN A 2 -3.026 3.201 4.516 1.00 0.00 N ATOM 0 HA ASN A 2 -1.405 6.050 6.477 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.458 3.948 7.269 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.668 5.136 5.998 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.652 2.550 3.825 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.978 3.555 4.421 1.00 0.00 H new ATOM 32 N THR A 3 -2.404 7.611 8.205 1.00 0.00 N ATOM 33 CA THR A 3 -2.913 8.430 9.264 1.00 0.00 C ATOM 34 C THR A 3 -3.794 9.606 8.774 1.00 0.00 C ATOM 35 O THR A 3 -4.204 9.676 7.576 1.00 0.00 O ATOM 36 CB THR A 3 -1.695 8.897 10.107 1.00 0.00 C ATOM 37 OG1 THR A 3 -2.097 9.560 11.313 1.00 0.00 O ATOM 38 CG2 THR A 3 -0.806 9.810 9.286 1.00 0.00 C ATOM 0 H THR A 3 -1.815 8.088 7.522 1.00 0.00 H new ATOM 0 HA THR A 3 -3.597 7.845 9.879 1.00 0.00 H new ATOM 0 HB THR A 3 -1.137 8.005 10.391 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.302 9.836 11.815 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.044 10.130 9.890 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.446 9.274 8.408 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.375 10.684 8.970 1.00 0.00 H new ATOM 46 N ASP A 4 -4.094 10.489 9.723 1.00 0.00 N ATOM 47 CA ASP A 4 -4.929 11.681 9.582 1.00 0.00 C ATOM 48 C ASP A 4 -4.325 12.699 8.639 1.00 0.00 C ATOM 49 O ASP A 4 -3.751 13.693 9.068 1.00 0.00 O ATOM 50 CB ASP A 4 -5.210 12.355 10.939 1.00 0.00 C ATOM 51 CG ASP A 4 -6.176 11.604 11.828 1.00 0.00 C ATOM 52 OD1 ASP A 4 -5.864 10.484 12.255 1.00 0.00 O ATOM 53 OD2 ASP A 4 -7.273 12.131 12.110 1.00 0.00 O ATOM 0 H ASP A 4 -3.738 10.385 10.673 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.870 11.329 9.159 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.267 12.477 11.471 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.605 13.355 10.758 1.00 0.00 H new ATOM 58 N VAL A 5 -4.406 12.421 7.349 1.00 0.00 N ATOM 59 CA VAL A 5 -3.892 13.252 6.319 1.00 0.00 C ATOM 60 C VAL A 5 -4.342 12.626 5.025 1.00 0.00 C ATOM 61 O VAL A 5 -5.019 13.239 4.222 1.00 0.00 O ATOM 62 CB VAL A 5 -2.334 13.378 6.397 1.00 0.00 C ATOM 63 CG1 VAL A 5 -1.605 12.040 6.313 1.00 0.00 C ATOM 64 CG2 VAL A 5 -1.806 14.376 5.382 1.00 0.00 C ATOM 0 H VAL A 5 -4.852 11.574 6.996 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.263 14.273 6.412 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.115 13.764 7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.530 12.207 6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.920 11.401 7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.844 11.554 5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.721 14.439 5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.076 14.051 4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.242 15.356 5.575 1.00 0.00 H new ATOM 74 N LEU A 6 -4.119 11.338 4.939 1.00 0.00 N ATOM 75 CA LEU A 6 -4.392 10.628 3.747 1.00 0.00 C ATOM 76 C LEU A 6 -5.580 9.719 3.876 1.00 0.00 C ATOM 77 O LEU A 6 -6.456 9.750 3.049 1.00 0.00 O ATOM 78 CB LEU A 6 -3.118 9.902 3.260 1.00 0.00 C ATOM 79 CG LEU A 6 -2.399 8.945 4.226 1.00 0.00 C ATOM 80 CD1 LEU A 6 -3.033 7.575 4.233 1.00 0.00 C ATOM 81 CD2 LEU A 6 -0.917 8.869 3.911 1.00 0.00 C ATOM 0 H LEU A 6 -3.745 10.768 5.698 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.676 11.346 2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.382 9.334 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.400 10.663 2.953 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.507 9.351 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.496 6.929 4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.074 7.657 4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.987 7.148 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.431 8.186 4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.780 8.506 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.474 9.860 4.006 1.00 0.00 H new ATOM 93 N ASN A 7 -5.654 8.940 4.925 1.00 0.00 N ATOM 94 CA ASN A 7 -6.679 7.924 4.929 1.00 0.00 C ATOM 95 C ASN A 7 -8.012 8.382 5.388 1.00 0.00 C ATOM 96 O ASN A 7 -8.964 8.171 4.736 1.00 0.00 O ATOM 97 CB ASN A 7 -6.250 6.708 5.661 1.00 0.00 C ATOM 98 CG ASN A 7 -6.771 5.466 4.938 1.00 0.00 C ATOM 99 OD1 ASN A 7 -7.837 4.933 5.242 1.00 0.00 O ATOM 100 ND2 ASN A 7 -6.042 5.031 3.925 1.00 0.00 N ATOM 0 H ASN A 7 -5.053 8.981 5.748 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.811 7.671 3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.162 6.675 5.726 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.629 6.733 6.683 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.360 4.234 3.373 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.162 5.492 3.695 1.00 0.00 H new ATOM 107 N GLN A 8 -8.095 9.124 6.418 1.00 0.00 N ATOM 108 CA GLN A 8 -9.421 9.533 6.819 1.00 0.00 C ATOM 109 C GLN A 8 -9.905 10.702 5.980 1.00 0.00 C ATOM 110 O GLN A 8 -11.053 10.786 5.583 1.00 0.00 O ATOM 111 CB GLN A 8 -9.551 9.725 8.342 1.00 0.00 C ATOM 112 CG GLN A 8 -8.381 10.426 9.032 1.00 0.00 C ATOM 113 CD GLN A 8 -8.103 11.803 8.491 1.00 0.00 C ATOM 114 OE1 GLN A 8 -8.658 12.791 8.934 1.00 0.00 O ATOM 115 NE2 GLN A 8 -7.201 11.880 7.531 1.00 0.00 N ATOM 0 H GLN A 8 -7.319 9.459 6.989 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.110 8.715 6.607 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.458 10.296 8.540 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.684 8.746 8.802 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.590 10.499 10.099 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.486 9.814 8.923 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.754 11.032 7.182 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.951 12.787 7.138 1.00 0.00 H new ATOM 124 N GLN A 9 -8.967 11.493 5.556 1.00 0.00 N ATOM 125 CA GLN A 9 -9.278 12.677 4.866 1.00 0.00 C ATOM 126 C GLN A 9 -9.364 12.400 3.403 1.00 0.00 C ATOM 127 O GLN A 9 -10.436 12.385 2.808 1.00 0.00 O ATOM 128 CB GLN A 9 -8.195 13.733 5.119 1.00 0.00 C ATOM 129 CG GLN A 9 -8.473 15.017 4.386 1.00 0.00 C ATOM 130 CD GLN A 9 -7.419 16.095 4.551 1.00 0.00 C ATOM 131 OE1 GLN A 9 -7.743 17.277 4.574 1.00 0.00 O ATOM 132 NE2 GLN A 9 -6.160 15.723 4.579 1.00 0.00 N ATOM 0 H GLN A 9 -7.970 11.324 5.686 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.237 13.052 5.224 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.128 13.934 6.188 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.227 13.341 4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.580 14.795 3.324 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.430 15.412 4.727 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.921 14.732 4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.422 16.425 4.621 1.00 0.00 H new ATOM 141 N LYS A 10 -8.229 12.048 2.867 1.00 0.00 N ATOM 142 CA LYS A 10 -8.057 11.976 1.473 1.00 0.00 C ATOM 143 C LYS A 10 -8.542 10.654 0.885 1.00 0.00 C ATOM 144 O LYS A 10 -8.553 10.488 -0.332 1.00 0.00 O ATOM 145 CB LYS A 10 -6.632 12.277 1.112 1.00 0.00 C ATOM 146 CG LYS A 10 -6.525 13.063 -0.178 1.00 0.00 C ATOM 147 CD LYS A 10 -5.283 12.715 -0.927 1.00 0.00 C ATOM 148 CE LYS A 10 -5.355 11.276 -1.377 1.00 0.00 C ATOM 149 NZ LYS A 10 -6.518 11.062 -2.287 1.00 0.00 N ATOM 0 H LYS A 10 -7.398 11.804 3.406 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.690 12.739 1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.165 12.841 1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.078 11.343 1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.396 12.862 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.531 14.130 0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.169 13.372 -1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.409 12.866 -0.294 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.432 11.004 -1.889 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.442 10.623 -0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.291 10.311 -2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.349 10.783 -1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.725 11.943 -2.799 1.00 0.00 H new ATOM 163 N ILE A 11 -8.926 9.703 1.727 1.00 0.00 N ATOM 164 CA ILE A 11 -9.538 8.529 1.199 1.00 0.00 C ATOM 165 C ILE A 11 -10.971 8.728 1.266 1.00 0.00 C ATOM 166 O ILE A 11 -11.650 8.353 0.396 1.00 0.00 O ATOM 167 CB ILE A 11 -9.128 7.192 1.899 1.00 0.00 C ATOM 168 CG1 ILE A 11 -8.860 6.166 0.864 1.00 0.00 C ATOM 169 CG2 ILE A 11 -10.237 6.613 2.818 1.00 0.00 C ATOM 170 CD1 ILE A 11 -8.177 4.922 1.416 1.00 0.00 C ATOM 0 H ILE A 11 -8.822 9.733 2.741 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.185 8.403 0.175 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.254 7.423 2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.801 5.878 0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.234 6.600 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.886 5.686 3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.473 7.333 3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.131 6.413 2.227 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.009 4.210 0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.221 5.199 1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.812 4.465 2.176 1.00 0.00 H new ATOM 182 N GLU A 12 -11.427 9.440 2.232 1.00 0.00 N ATOM 183 CA GLU A 12 -12.816 9.568 2.324 1.00 0.00 C ATOM 184 C GLU A 12 -13.381 10.459 1.232 1.00 0.00 C ATOM 185 O GLU A 12 -14.514 10.267 0.779 1.00 0.00 O ATOM 186 CB GLU A 12 -13.155 9.901 3.731 1.00 0.00 C ATOM 187 CG GLU A 12 -13.412 8.645 4.547 1.00 0.00 C ATOM 188 CD GLU A 12 -14.517 7.804 3.952 1.00 0.00 C ATOM 189 OE1 GLU A 12 -15.703 8.183 4.078 1.00 0.00 O ATOM 190 OE2 GLU A 12 -14.220 6.749 3.342 1.00 0.00 O ATOM 0 H GLU A 12 -10.875 9.923 2.941 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.329 8.630 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.340 10.469 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.038 10.539 3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.497 8.055 4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.676 8.923 5.567 1.00 0.00 H new ATOM 197 N GLU A 13 -12.537 11.350 0.751 1.00 0.00 N ATOM 198 CA GLU A 13 -12.860 12.228 -0.345 1.00 0.00 C ATOM 199 C GLU A 13 -12.594 11.570 -1.715 1.00 0.00 C ATOM 200 O GLU A 13 -13.364 11.782 -2.651 1.00 0.00 O ATOM 201 CB GLU A 13 -12.105 13.544 -0.192 1.00 0.00 C ATOM 202 CG GLU A 13 -10.599 13.410 -0.129 1.00 0.00 C ATOM 203 CD GLU A 13 -9.898 13.834 -1.397 1.00 0.00 C ATOM 204 OE1 GLU A 13 -9.803 15.048 -1.651 1.00 0.00 O ATOM 205 OE2 GLU A 13 -9.430 12.976 -2.153 1.00 0.00 O ATOM 0 H GLU A 13 -11.595 11.483 1.119 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.930 12.435 -0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.363 14.194 -1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.449 14.041 0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.224 14.010 0.701 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.344 12.372 0.087 1.00 0.00 H new ATOM 212 N LEU A 14 -11.518 10.787 -1.835 1.00 0.00 N ATOM 213 CA LEU A 14 -11.171 10.158 -3.105 1.00 0.00 C ATOM 214 C LEU A 14 -11.980 8.886 -3.255 1.00 0.00 C ATOM 215 O LEU A 14 -12.392 8.549 -4.347 1.00 0.00 O ATOM 216 CB LEU A 14 -9.665 9.853 -3.165 1.00 0.00 C ATOM 217 CG LEU A 14 -8.980 9.816 -4.552 1.00 0.00 C ATOM 218 CD1 LEU A 14 -9.546 8.762 -5.483 1.00 0.00 C ATOM 219 CD2 LEU A 14 -9.019 11.179 -5.209 1.00 0.00 C ATOM 0 H LEU A 14 -10.877 10.576 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.403 10.838 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.150 10.599 -2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.502 8.887 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.944 9.534 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.017 8.796 -6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.423 7.776 -5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.606 8.955 -5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.531 11.128 -6.183 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.055 11.491 -5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.498 11.901 -4.580 1.00 0.00 H new ATOM 231 N SER A 15 -12.115 8.137 -2.168 1.00 0.00 N ATOM 232 CA SER A 15 -13.028 7.028 -2.123 1.00 0.00 C ATOM 233 C SER A 15 -14.428 7.562 -2.396 1.00 0.00 C ATOM 234 O SER A 15 -14.799 7.645 -3.555 1.00 0.00 O ATOM 235 CB SER A 15 -12.900 6.196 -0.815 1.00 0.00 C ATOM 236 OG SER A 15 -11.751 5.379 -0.839 1.00 0.00 O ATOM 0 H SER A 15 -11.594 8.288 -1.304 1.00 0.00 H new ATOM 0 HA SER A 15 -12.780 6.304 -2.899 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.854 6.867 0.043 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.787 5.576 -0.687 1.00 0.00 H new ATOM 0 HG SER A 15 -11.208 5.601 -1.624 1.00 0.00 H new ATOM 242 N ALA A 16 -15.189 7.950 -1.380 1.00 0.00 N ATOM 243 CA ALA A 16 -16.473 8.609 -1.620 1.00 0.00 C ATOM 244 C ALA A 16 -17.375 7.848 -2.629 1.00 0.00 C ATOM 245 O ALA A 16 -17.512 6.633 -2.562 1.00 0.00 O ATOM 246 CB ALA A 16 -16.180 10.021 -2.101 1.00 0.00 C ATOM 0 H ALA A 16 -14.948 7.824 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.041 8.623 -0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.118 10.543 -2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.615 10.556 -1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.597 9.978 -3.021 1.00 0.00 H new ATOM 252 N GLU A 17 -17.946 8.590 -3.582 1.00 0.00 N ATOM 253 CA GLU A 17 -18.777 8.067 -4.676 1.00 0.00 C ATOM 254 C GLU A 17 -17.991 7.169 -5.613 1.00 0.00 C ATOM 255 O GLU A 17 -18.559 6.482 -6.452 1.00 0.00 O ATOM 256 CB GLU A 17 -19.357 9.202 -5.494 1.00 0.00 C ATOM 257 CG GLU A 17 -20.326 10.090 -4.749 1.00 0.00 C ATOM 258 CD GLU A 17 -20.896 11.155 -5.647 1.00 0.00 C ATOM 259 OE1 GLU A 17 -21.681 10.822 -6.550 1.00 0.00 O ATOM 260 OE2 GLU A 17 -20.549 12.341 -5.484 1.00 0.00 O ATOM 0 H GLU A 17 -17.841 9.604 -3.617 1.00 0.00 H new ATOM 0 HA GLU A 17 -19.571 7.485 -4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.538 9.816 -5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.865 8.783 -6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.135 9.485 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.819 10.557 -3.905 1.00 0.00 H new ATOM 267 N ILE A 18 -16.700 7.160 -5.443 1.00 0.00 N ATOM 268 CA ILE A 18 -15.849 6.311 -6.191 1.00 0.00 C ATOM 269 C ILE A 18 -15.342 5.150 -5.371 1.00 0.00 C ATOM 270 O ILE A 18 -16.074 4.159 -5.282 1.00 0.00 O ATOM 271 CB ILE A 18 -14.844 7.028 -7.155 1.00 0.00 C ATOM 272 CG1 ILE A 18 -13.693 6.116 -7.578 1.00 0.00 C ATOM 273 CG2 ILE A 18 -14.364 8.368 -6.624 1.00 0.00 C ATOM 274 CD1 ILE A 18 -12.746 6.721 -8.594 1.00 0.00 C ATOM 0 H ILE A 18 -16.213 7.753 -4.771 1.00 0.00 H new ATOM 0 HA ILE A 18 -16.473 5.834 -6.947 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.407 7.255 -8.061 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.123 5.838 -6.691 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -14.109 5.197 -7.991 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.671 8.815 -7.337 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.218 9.031 -6.484 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.859 8.221 -5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.962 6.002 -8.834 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.297 6.973 -9.500 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.296 7.624 -8.180 1.00 0.00 H new ATOM 286 N GLY A 19 -14.150 5.150 -4.759 1.00 0.00 N ATOM 287 CA GLY A 19 -13.566 4.102 -3.965 1.00 0.00 C ATOM 288 C GLY A 19 -14.406 3.410 -2.939 1.00 0.00 C ATOM 289 O GLY A 19 -14.025 2.331 -2.548 1.00 0.00 O ATOM 0 H GLY A 19 -13.531 5.958 -4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.192 3.341 -4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.701 4.522 -3.452 1.00 0.00 H new ATOM 293 N SER A 20 -15.539 3.945 -2.518 1.00 0.00 N ATOM 294 CA SER A 20 -16.369 3.213 -1.576 1.00 0.00 C ATOM 295 C SER A 20 -16.839 1.908 -2.259 1.00 0.00 C ATOM 296 O SER A 20 -17.158 0.916 -1.609 1.00 0.00 O ATOM 297 CB SER A 20 -17.528 4.099 -1.120 1.00 0.00 C ATOM 298 OG SER A 20 -18.290 3.506 -0.084 1.00 0.00 O ATOM 0 H SER A 20 -15.898 4.856 -2.803 1.00 0.00 H new ATOM 0 HA SER A 20 -15.812 2.942 -0.679 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.136 5.056 -0.776 1.00 0.00 H new ATOM 0 HB3 SER A 20 -18.177 4.308 -1.970 1.00 0.00 H new ATOM 0 HG SER A 20 -19.017 4.110 0.174 1.00 0.00 H new ATOM 304 N ASP A 21 -16.842 1.943 -3.591 1.00 0.00 N ATOM 305 CA ASP A 21 -17.061 0.758 -4.403 1.00 0.00 C ATOM 306 C ASP A 21 -15.772 0.226 -5.011 1.00 0.00 C ATOM 307 O ASP A 21 -15.618 -0.980 -5.152 1.00 0.00 O ATOM 308 CB ASP A 21 -18.018 1.088 -5.540 1.00 0.00 C ATOM 309 CG ASP A 21 -18.320 -0.081 -6.459 1.00 0.00 C ATOM 310 OD1 ASP A 21 -19.242 -0.882 -6.164 1.00 0.00 O ATOM 311 OD2 ASP A 21 -17.663 -0.209 -7.508 1.00 0.00 O ATOM 0 H ASP A 21 -16.692 2.795 -4.132 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.475 -0.006 -3.745 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -18.954 1.454 -5.117 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -17.595 1.900 -6.131 1.00 0.00 H new ATOM 316 N ASN A 22 -14.801 1.094 -5.287 1.00 0.00 N ATOM 317 CA ASN A 22 -13.654 0.654 -6.089 1.00 0.00 C ATOM 318 C ASN A 22 -12.485 0.151 -5.233 1.00 0.00 C ATOM 319 O ASN A 22 -11.859 -0.854 -5.569 1.00 0.00 O ATOM 320 CB ASN A 22 -13.182 1.760 -7.057 1.00 0.00 C ATOM 321 CG ASN A 22 -12.029 1.323 -7.962 1.00 0.00 C ATOM 322 OD1 ASN A 22 -12.240 0.762 -9.029 1.00 0.00 O ATOM 323 ND2 ASN A 22 -10.801 1.615 -7.572 1.00 0.00 N ATOM 0 H ASN A 22 -14.779 2.068 -4.984 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.006 -0.193 -6.677 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -14.022 2.073 -7.677 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.871 2.630 -6.479 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.007 1.373 -8.164 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.647 2.083 -6.679 1.00 0.00 H new ATOM 330 N VAL A 23 -12.173 0.844 -4.136 1.00 0.00 N ATOM 331 CA VAL A 23 -11.046 0.423 -3.307 1.00 0.00 C ATOM 332 C VAL A 23 -11.201 -0.964 -2.650 1.00 0.00 C ATOM 333 O VAL A 23 -10.231 -1.708 -2.650 1.00 0.00 O ATOM 334 CB VAL A 23 -10.427 1.516 -2.367 1.00 0.00 C ATOM 335 CG1 VAL A 23 -11.357 1.979 -1.266 1.00 0.00 C ATOM 336 CG2 VAL A 23 -9.090 1.072 -1.783 1.00 0.00 C ATOM 0 H VAL A 23 -12.668 1.674 -3.809 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.266 0.283 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.260 2.378 -3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.856 2.734 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.258 2.406 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.628 1.130 -0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.696 1.857 -1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.232 0.162 -1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.386 0.879 -2.592 1.00 0.00 H new ATOM 346 N PRO A 24 -12.397 -1.380 -2.110 1.00 0.00 N ATOM 347 CA PRO A 24 -12.564 -2.749 -1.603 1.00 0.00 C ATOM 348 C PRO A 24 -12.300 -3.763 -2.714 1.00 0.00 C ATOM 349 O PRO A 24 -11.783 -4.846 -2.469 1.00 0.00 O ATOM 350 CB PRO A 24 -14.031 -2.817 -1.148 1.00 0.00 C ATOM 351 CG PRO A 24 -14.689 -1.642 -1.777 1.00 0.00 C ATOM 352 CD PRO A 24 -13.623 -0.595 -1.886 1.00 0.00 C ATOM 0 HA PRO A 24 -11.870 -2.981 -0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.499 -3.748 -1.467 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.109 -2.777 -0.062 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.091 -1.896 -2.758 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.524 -1.290 -1.172 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.817 0.092 -2.710 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.556 0.006 -0.979 1.00 0.00 H new ATOM 360 N VAL A 25 -12.713 -3.406 -3.929 1.00 0.00 N ATOM 361 CA VAL A 25 -12.386 -4.250 -5.076 1.00 0.00 C ATOM 362 C VAL A 25 -10.867 -4.409 -5.218 1.00 0.00 C ATOM 363 O VAL A 25 -10.338 -5.510 -5.075 1.00 0.00 O ATOM 364 CB VAL A 25 -13.000 -3.726 -6.405 1.00 0.00 C ATOM 365 CG1 VAL A 25 -12.581 -4.594 -7.590 1.00 0.00 C ATOM 366 CG2 VAL A 25 -14.515 -3.694 -6.303 1.00 0.00 C ATOM 0 H VAL A 25 -13.256 -2.569 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 25 -12.833 -5.225 -4.881 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.625 -2.716 -6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.027 -4.201 -8.504 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.495 -4.584 -7.682 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.922 -5.617 -7.430 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.935 -3.326 -7.239 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -14.888 -4.700 -6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.811 -3.034 -5.488 1.00 0.00 H new ATOM 376 N LEU A 26 -10.188 -3.297 -5.399 1.00 0.00 N ATOM 377 CA LEU A 26 -8.764 -3.201 -5.700 1.00 0.00 C ATOM 378 C LEU A 26 -7.905 -3.795 -4.556 1.00 0.00 C ATOM 379 O LEU A 26 -7.162 -4.762 -4.738 1.00 0.00 O ATOM 380 CB LEU A 26 -8.494 -1.682 -5.895 1.00 0.00 C ATOM 381 CG LEU A 26 -7.260 -1.221 -6.669 1.00 0.00 C ATOM 382 CD1 LEU A 26 -7.184 -1.964 -7.984 1.00 0.00 C ATOM 383 CD2 LEU A 26 -7.409 0.264 -6.957 1.00 0.00 C ATOM 0 H LEU A 26 -10.634 -2.381 -5.338 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.495 -3.773 -6.588 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.366 -1.258 -6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.443 -1.232 -4.904 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.359 -1.415 -6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.304 -1.636 -8.537 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.114 -3.035 -7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.079 -1.758 -8.571 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.538 0.617 -7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.308 0.431 -7.551 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.488 0.811 -6.017 1.00 0.00 H new ATOM 395 N LEU A 27 -7.978 -3.091 -3.453 1.00 0.00 N ATOM 396 CA LEU A 27 -7.267 -3.511 -2.241 1.00 0.00 C ATOM 397 C LEU A 27 -7.388 -5.037 -1.985 1.00 0.00 C ATOM 398 O LEU A 27 -6.391 -5.713 -1.783 1.00 0.00 O ATOM 399 CB LEU A 27 -7.827 -2.768 -1.026 1.00 0.00 C ATOM 400 CG LEU A 27 -7.383 -3.303 0.333 1.00 0.00 C ATOM 401 CD1 LEU A 27 -5.905 -3.045 0.586 1.00 0.00 C ATOM 402 CD2 LEU A 27 -8.253 -2.755 1.448 1.00 0.00 C ATOM 0 H LEU A 27 -8.515 -2.229 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.214 -3.271 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.536 -1.720 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.916 -2.801 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.514 -4.385 0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.629 -3.441 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.313 -3.537 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.714 -1.972 0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.913 -3.153 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.183 -1.667 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.289 -3.050 1.280 1.00 0.00 H new ATOM 414 N ASP A 28 -8.594 -5.580 -2.036 1.00 0.00 N ATOM 415 CA ASP A 28 -8.797 -7.009 -1.756 1.00 0.00 C ATOM 416 C ASP A 28 -8.203 -7.932 -2.827 1.00 0.00 C ATOM 417 O ASP A 28 -7.670 -9.005 -2.513 1.00 0.00 O ATOM 418 CB ASP A 28 -10.283 -7.312 -1.560 1.00 0.00 C ATOM 419 CG ASP A 28 -10.586 -8.788 -1.430 1.00 0.00 C ATOM 420 OD1 ASP A 28 -10.353 -9.361 -0.347 1.00 0.00 O ATOM 421 OD2 ASP A 28 -11.075 -9.393 -2.418 1.00 0.00 O ATOM 0 H ASP A 28 -9.445 -5.066 -2.265 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.256 -7.218 -0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.636 -6.797 -0.667 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.842 -6.907 -2.403 1.00 0.00 H new ATOM 426 N ILE A 29 -8.240 -7.508 -4.076 1.00 0.00 N ATOM 427 CA ILE A 29 -7.800 -8.376 -5.166 1.00 0.00 C ATOM 428 C ILE A 29 -6.297 -8.464 -5.199 1.00 0.00 C ATOM 429 O ILE A 29 -5.716 -9.535 -5.044 1.00 0.00 O ATOM 430 CB ILE A 29 -8.365 -7.982 -6.576 1.00 0.00 C ATOM 431 CG1 ILE A 29 -8.017 -6.531 -6.946 1.00 0.00 C ATOM 432 CG2 ILE A 29 -9.864 -8.207 -6.620 1.00 0.00 C ATOM 433 CD1 ILE A 29 -8.468 -6.060 -8.309 1.00 0.00 C ATOM 0 H ILE A 29 -8.563 -6.585 -4.364 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.220 -9.358 -4.948 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.891 -8.624 -7.318 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.454 -5.873 -6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.935 -6.412 -6.884 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.245 -7.930 -7.603 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.080 -9.258 -6.430 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.346 -7.594 -5.858 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.165 -5.023 -8.454 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.011 -6.682 -9.079 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.553 -6.134 -8.379 1.00 0.00 H new ATOM 445 N PHE A 30 -5.685 -7.315 -5.273 1.00 0.00 N ATOM 446 CA PHE A 30 -4.279 -7.192 -5.435 1.00 0.00 C ATOM 447 C PHE A 30 -3.524 -7.616 -4.210 1.00 0.00 C ATOM 448 O PHE A 30 -2.382 -7.941 -4.287 1.00 0.00 O ATOM 449 CB PHE A 30 -3.961 -5.774 -5.859 1.00 0.00 C ATOM 450 CG PHE A 30 -4.246 -5.452 -7.317 1.00 0.00 C ATOM 451 CD1 PHE A 30 -4.509 -6.453 -8.255 1.00 0.00 C ATOM 452 CD2 PHE A 30 -4.218 -4.139 -7.756 1.00 0.00 C ATOM 453 CE1 PHE A 30 -4.738 -6.140 -9.584 1.00 0.00 C ATOM 454 CE2 PHE A 30 -4.449 -3.823 -9.083 1.00 0.00 C ATOM 455 CZ PHE A 30 -4.709 -4.824 -9.997 1.00 0.00 C ATOM 0 H PHE A 30 -6.171 -6.420 -5.220 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.947 -7.874 -6.217 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.534 -5.089 -5.234 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.907 -5.581 -5.661 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.534 -7.485 -7.939 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.012 -3.348 -7.050 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.939 -6.926 -10.297 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.426 -2.792 -9.404 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.889 -4.578 -11.033 1.00 0.00 H new ATOM 465 N LEU A 31 -4.197 -7.671 -3.101 1.00 0.00 N ATOM 466 CA LEU A 31 -3.575 -8.117 -1.926 1.00 0.00 C ATOM 467 C LEU A 31 -3.859 -9.561 -1.631 1.00 0.00 C ATOM 468 O LEU A 31 -2.957 -10.268 -1.274 1.00 0.00 O ATOM 469 CB LEU A 31 -3.828 -7.163 -0.770 1.00 0.00 C ATOM 470 CG LEU A 31 -3.047 -5.832 -0.788 1.00 0.00 C ATOM 471 CD1 LEU A 31 -1.541 -6.063 -0.769 1.00 0.00 C ATOM 472 CD2 LEU A 31 -3.430 -4.897 -1.935 1.00 0.00 C ATOM 0 H LEU A 31 -5.178 -7.409 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.497 -8.095 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.893 -6.933 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.593 -7.683 0.159 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.340 -5.323 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.025 -5.103 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.268 -6.609 0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.251 -6.643 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.836 -3.985 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.240 -5.392 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.488 -4.646 -1.862 1.00 0.00 H new ATOM 484 N GLY A 32 -5.093 -10.021 -1.815 1.00 0.00 N ATOM 485 CA GLY A 32 -5.427 -11.415 -1.568 1.00 0.00 C ATOM 486 C GLY A 32 -4.792 -12.358 -2.586 1.00 0.00 C ATOM 487 O GLY A 32 -4.444 -13.495 -2.264 1.00 0.00 O ATOM 0 H GLY A 32 -5.875 -9.448 -2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.098 -11.692 -0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.510 -11.535 -1.592 1.00 0.00 H new ATOM 491 N GLU A 33 -4.634 -11.895 -3.810 1.00 0.00 N ATOM 492 CA GLU A 33 -4.009 -12.705 -4.845 1.00 0.00 C ATOM 493 C GLU A 33 -2.490 -12.546 -4.787 1.00 0.00 C ATOM 494 O GLU A 33 -1.735 -13.456 -5.139 1.00 0.00 O ATOM 495 CB GLU A 33 -4.613 -12.370 -6.198 1.00 0.00 C ATOM 496 CG GLU A 33 -6.127 -12.485 -6.132 1.00 0.00 C ATOM 497 CD GLU A 33 -6.830 -12.291 -7.443 1.00 0.00 C ATOM 498 OE1 GLU A 33 -6.867 -13.244 -8.245 1.00 0.00 O ATOM 499 OE2 GLU A 33 -7.418 -11.220 -7.664 1.00 0.00 O ATOM 0 H GLU A 33 -4.927 -10.967 -4.115 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.209 -13.763 -4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.329 -11.360 -6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.221 -13.046 -6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.386 -13.468 -5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.503 -11.749 -5.422 1.00 0.00 H new ATOM 506 N MET A 34 -2.074 -11.376 -4.320 1.00 0.00 N ATOM 507 CA MET A 34 -0.653 -11.213 -3.986 1.00 0.00 C ATOM 508 C MET A 34 -0.308 -12.206 -2.928 1.00 0.00 C ATOM 509 O MET A 34 0.605 -13.001 -3.079 1.00 0.00 O ATOM 510 CB MET A 34 -0.390 -9.878 -3.396 1.00 0.00 C ATOM 511 CG MET A 34 0.470 -8.995 -4.274 1.00 0.00 C ATOM 512 SD MET A 34 -0.039 -9.072 -6.008 1.00 0.00 S ATOM 513 CE MET A 34 1.203 -8.041 -6.744 1.00 0.00 C ATOM 0 H MET A 34 -2.663 -10.557 -4.167 1.00 0.00 H new ATOM 0 HA MET A 34 -0.073 -11.341 -4.900 1.00 0.00 H new ATOM 0 HB2 MET A 34 -1.340 -9.378 -3.209 1.00 0.00 H new ATOM 0 HB3 MET A 34 0.099 -10.005 -2.430 1.00 0.00 H new ATOM 0 HG2 MET A 34 0.410 -7.965 -3.923 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.513 -9.301 -4.187 1.00 0.00 H new ATOM 0 HE1 MET A 34 1.278 -8.265 -7.808 1.00 0.00 H new ATOM 0 HE2 MET A 34 0.931 -6.994 -6.612 1.00 0.00 H new ATOM 0 HE3 MET A 34 2.163 -8.230 -6.264 1.00 0.00 H new ATOM 523 N ASP A 35 -1.150 -12.220 -1.912 1.00 0.00 N ATOM 524 CA ASP A 35 -1.130 -13.097 -0.755 1.00 0.00 C ATOM 525 C ASP A 35 -1.041 -14.547 -1.213 1.00 0.00 C ATOM 526 O ASP A 35 -0.373 -15.376 -0.595 1.00 0.00 O ATOM 527 CB ASP A 35 -2.462 -12.837 -0.025 1.00 0.00 C ATOM 528 CG ASP A 35 -2.748 -13.720 1.190 1.00 0.00 C ATOM 529 OD1 ASP A 35 -2.955 -14.942 1.025 1.00 0.00 O ATOM 530 OD2 ASP A 35 -2.864 -13.195 2.319 1.00 0.00 O ATOM 0 H ASP A 35 -1.930 -11.564 -1.871 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.275 -12.910 -0.105 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.479 -11.796 0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.275 -12.964 -0.740 1.00 0.00 H new ATOM 535 N SER A 36 -1.652 -14.809 -2.358 1.00 0.00 N ATOM 536 CA SER A 36 -1.683 -16.139 -2.907 1.00 0.00 C ATOM 537 C SER A 36 -0.288 -16.609 -3.341 1.00 0.00 C ATOM 538 O SER A 36 0.060 -17.789 -3.249 1.00 0.00 O ATOM 539 CB SER A 36 -2.683 -16.255 -4.049 1.00 0.00 C ATOM 540 OG SER A 36 -3.987 -15.852 -3.640 1.00 0.00 O ATOM 0 H SER A 36 -2.133 -14.108 -2.921 1.00 0.00 H new ATOM 0 HA SER A 36 -2.018 -16.802 -2.109 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.355 -15.638 -4.886 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.714 -17.285 -4.405 1.00 0.00 H new ATOM 0 HG SER A 36 -3.922 -15.045 -3.087 1.00 0.00 H new ATOM 546 N TYR A 37 0.511 -15.668 -3.787 1.00 0.00 N ATOM 547 CA TYR A 37 1.875 -15.936 -4.214 1.00 0.00 C ATOM 548 C TYR A 37 2.759 -16.174 -3.055 1.00 0.00 C ATOM 549 O TYR A 37 3.653 -16.975 -3.067 1.00 0.00 O ATOM 550 CB TYR A 37 2.402 -14.806 -5.058 1.00 0.00 C ATOM 551 CG TYR A 37 1.975 -14.972 -6.457 1.00 0.00 C ATOM 552 CD1 TYR A 37 0.725 -15.444 -6.726 1.00 0.00 C ATOM 553 CD2 TYR A 37 2.858 -14.796 -7.479 1.00 0.00 C ATOM 554 CE1 TYR A 37 0.334 -15.731 -7.994 1.00 0.00 C ATOM 555 CE2 TYR A 37 2.504 -15.089 -8.770 1.00 0.00 C ATOM 556 CZ TYR A 37 1.238 -15.558 -9.034 1.00 0.00 C ATOM 557 OH TYR A 37 0.880 -15.863 -10.325 1.00 0.00 O ATOM 0 H TYR A 37 0.237 -14.689 -3.866 1.00 0.00 H new ATOM 0 HA TYR A 37 1.863 -16.842 -4.820 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.040 -13.854 -4.670 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.490 -14.779 -5.003 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.030 -15.593 -5.913 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.849 -14.421 -7.269 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.666 -16.089 -8.191 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.213 -14.953 -9.573 1.00 0.00 H new ATOM 0 HH TYR A 37 1.633 -15.681 -10.925 1.00 0.00 H new ATOM 567 N ILE A 38 2.454 -15.512 -2.051 1.00 0.00 N ATOM 568 CA ILE A 38 3.178 -15.655 -0.831 1.00 0.00 C ATOM 569 C ILE A 38 2.915 -17.045 -0.273 1.00 0.00 C ATOM 570 O ILE A 38 3.830 -17.739 0.122 1.00 0.00 O ATOM 571 CB ILE A 38 2.913 -14.490 0.158 1.00 0.00 C ATOM 572 CG1 ILE A 38 3.640 -13.232 -0.339 1.00 0.00 C ATOM 573 CG2 ILE A 38 3.348 -14.827 1.578 1.00 0.00 C ATOM 574 CD1 ILE A 38 3.126 -12.652 -1.633 1.00 0.00 C ATOM 0 H ILE A 38 1.690 -14.837 -2.017 1.00 0.00 H new ATOM 0 HA ILE A 38 4.249 -15.576 -1.018 1.00 0.00 H new ATOM 0 HB ILE A 38 1.838 -14.313 0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.573 -12.466 0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.697 -13.469 -0.462 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.142 -13.980 2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.798 -15.700 1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.416 -15.043 1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.709 -11.768 -1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.219 -13.394 -2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.078 -12.375 -1.517 1.00 0.00 H new ATOM 586 N GLY A 39 1.685 -17.487 -0.350 1.00 0.00 N ATOM 587 CA GLY A 39 1.378 -18.836 0.021 1.00 0.00 C ATOM 588 C GLY A 39 2.061 -19.861 -0.897 1.00 0.00 C ATOM 589 O GLY A 39 2.928 -20.614 -0.466 1.00 0.00 O ATOM 0 H GLY A 39 0.888 -16.933 -0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.691 -19.008 1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.299 -18.983 -0.013 1.00 0.00 H new ATOM 593 N THR A 40 1.757 -19.802 -2.177 1.00 0.00 N ATOM 594 CA THR A 40 2.169 -20.796 -3.124 1.00 0.00 C ATOM 595 C THR A 40 3.613 -20.566 -3.560 1.00 0.00 C ATOM 596 O THR A 40 4.508 -21.350 -3.257 1.00 0.00 O ATOM 597 CB THR A 40 1.230 -20.707 -4.340 1.00 0.00 C ATOM 598 OG1 THR A 40 -0.127 -20.871 -3.920 1.00 0.00 O ATOM 599 CG2 THR A 40 1.574 -21.715 -5.422 1.00 0.00 C ATOM 0 H THR A 40 1.208 -19.047 -2.587 1.00 0.00 H new ATOM 0 HA THR A 40 2.116 -21.785 -2.669 1.00 0.00 H new ATOM 0 HB THR A 40 1.363 -19.718 -4.779 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.475 -20.014 -3.596 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.879 -21.606 -6.255 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.591 -21.539 -5.773 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.499 -22.724 -5.016 1.00 0.00 H new ATOM 607 N LEU A 41 3.840 -19.465 -4.243 1.00 0.00 N ATOM 608 CA LEU A 41 5.100 -19.076 -4.824 1.00 0.00 C ATOM 609 C LEU A 41 6.233 -18.917 -3.781 1.00 0.00 C ATOM 610 O LEU A 41 7.382 -19.066 -4.110 1.00 0.00 O ATOM 611 CB LEU A 41 4.882 -17.753 -5.492 1.00 0.00 C ATOM 612 CG LEU A 41 4.035 -17.611 -6.742 1.00 0.00 C ATOM 613 CD1 LEU A 41 4.890 -17.817 -7.979 1.00 0.00 C ATOM 614 CD2 LEU A 41 2.831 -18.536 -6.812 1.00 0.00 C ATOM 0 H LEU A 41 3.105 -18.780 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 41 5.415 -19.859 -5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.449 -17.091 -4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.868 -17.358 -5.735 1.00 0.00 H new ATOM 0 HG LEU A 41 3.636 -16.598 -6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.271 -17.713 -8.870 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.685 -17.072 -8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.328 -18.815 -7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.290 -18.359 -7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.166 -19.573 -6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.172 -18.341 -5.966 1.00 0.00 H new ATOM 626 N THR A 42 5.923 -18.596 -2.535 1.00 0.00 N ATOM 627 CA THR A 42 6.992 -18.565 -1.542 1.00 0.00 C ATOM 628 C THR A 42 7.417 -19.961 -1.194 1.00 0.00 C ATOM 629 O THR A 42 8.603 -20.285 -1.175 1.00 0.00 O ATOM 630 CB THR A 42 6.559 -17.834 -0.305 1.00 0.00 C ATOM 631 OG1 THR A 42 6.318 -16.470 -0.643 1.00 0.00 O ATOM 632 CG2 THR A 42 7.581 -17.958 0.802 1.00 0.00 C ATOM 0 H THR A 42 4.990 -18.363 -2.195 1.00 0.00 H new ATOM 0 HA THR A 42 7.839 -18.032 -1.973 1.00 0.00 H new ATOM 0 HB THR A 42 5.641 -18.281 0.075 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.146 -16.397 -1.605 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.233 -17.416 1.681 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.718 -19.009 1.055 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.530 -17.538 0.469 1.00 0.00 H new ATOM 640 N GLU A 43 6.421 -20.782 -1.030 1.00 0.00 N ATOM 641 CA GLU A 43 6.610 -22.208 -0.787 1.00 0.00 C ATOM 642 C GLU A 43 7.272 -22.898 -1.978 1.00 0.00 C ATOM 643 O GLU A 43 7.621 -24.085 -1.911 1.00 0.00 O ATOM 644 CB GLU A 43 5.292 -22.874 -0.460 1.00 0.00 C ATOM 645 CG GLU A 43 4.783 -22.507 0.905 1.00 0.00 C ATOM 646 CD GLU A 43 5.695 -22.984 2.001 1.00 0.00 C ATOM 647 OE1 GLU A 43 5.878 -24.218 2.138 1.00 0.00 O ATOM 648 OE2 GLU A 43 6.258 -22.144 2.731 1.00 0.00 O ATOM 0 H GLU A 43 5.443 -20.493 -1.059 1.00 0.00 H new ATOM 0 HA GLU A 43 7.276 -22.308 0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.551 -22.592 -1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.411 -23.956 -0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.675 -21.424 0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.791 -22.936 1.048 1.00 0.00 H new ATOM 655 N LEU A 44 7.483 -22.147 -3.043 1.00 0.00 N ATOM 656 CA LEU A 44 8.057 -22.597 -4.257 1.00 0.00 C ATOM 657 C LEU A 44 9.366 -21.875 -4.652 1.00 0.00 C ATOM 658 O LEU A 44 10.259 -22.518 -5.202 1.00 0.00 O ATOM 659 CB LEU A 44 6.985 -22.448 -5.346 1.00 0.00 C ATOM 660 CG LEU A 44 5.844 -23.461 -5.320 1.00 0.00 C ATOM 661 CD1 LEU A 44 4.882 -23.190 -6.458 1.00 0.00 C ATOM 662 CD2 LEU A 44 6.375 -24.885 -5.389 1.00 0.00 C ATOM 0 H LEU A 44 7.239 -21.157 -3.066 1.00 0.00 H new ATOM 0 HA LEU A 44 8.360 -23.636 -4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.556 -21.449 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.475 -22.510 -6.318 1.00 0.00 H new ATOM 0 HG LEU A 44 5.309 -23.353 -4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.072 -23.918 -6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.471 -22.186 -6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.410 -23.271 -7.408 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.540 -25.586 -5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.939 -25.019 -6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.027 -25.072 -4.536 1.00 0.00 H new ATOM 674 N GLN A 45 9.527 -20.577 -4.340 1.00 0.00 N ATOM 675 CA GLN A 45 10.663 -19.816 -4.923 1.00 0.00 C ATOM 676 C GLN A 45 10.974 -18.442 -4.257 1.00 0.00 C ATOM 677 O GLN A 45 11.656 -17.612 -4.858 1.00 0.00 O ATOM 678 CB GLN A 45 10.293 -19.528 -6.373 1.00 0.00 C ATOM 679 CG GLN A 45 9.133 -18.556 -6.507 1.00 0.00 C ATOM 680 CD GLN A 45 8.852 -18.163 -7.937 1.00 0.00 C ATOM 681 OE1 GLN A 45 8.065 -18.794 -8.633 1.00 0.00 O ATOM 682 NE2 GLN A 45 9.503 -17.113 -8.389 1.00 0.00 N ATOM 0 H GLN A 45 8.919 -20.046 -3.717 1.00 0.00 H new ATOM 0 HA GLN A 45 11.551 -20.431 -4.778 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.162 -19.122 -6.890 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.035 -20.464 -6.869 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.238 -19.006 -6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.349 -17.660 -5.926 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.150 -16.613 -7.780 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.360 -16.799 -9.349 1.00 0.00 H new ATOM 691 N GLY A 46 10.508 -18.208 -3.034 1.00 0.00 N ATOM 692 CA GLY A 46 10.664 -16.915 -2.372 1.00 0.00 C ATOM 693 C GLY A 46 10.044 -15.782 -3.121 1.00 0.00 C ATOM 694 O GLY A 46 10.402 -14.665 -2.912 1.00 0.00 O ATOM 0 H GLY A 46 10.014 -18.904 -2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.220 -16.969 -1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.726 -16.712 -2.236 1.00 0.00 H new ATOM 698 N SER A 47 9.179 -16.128 -4.053 1.00 0.00 N ATOM 699 CA SER A 47 8.455 -15.180 -4.871 1.00 0.00 C ATOM 700 C SER A 47 7.960 -13.974 -4.097 1.00 0.00 C ATOM 701 O SER A 47 7.874 -12.914 -4.683 1.00 0.00 O ATOM 702 CB SER A 47 7.325 -15.848 -5.548 1.00 0.00 C ATOM 703 OG SER A 47 6.734 -15.034 -6.541 1.00 0.00 O ATOM 0 H SER A 47 8.956 -17.100 -4.267 1.00 0.00 H new ATOM 0 HA SER A 47 9.163 -14.806 -5.611 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.674 -16.775 -6.003 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.571 -16.120 -4.809 1.00 0.00 H new ATOM 0 HG SER A 47 5.783 -15.255 -6.622 1.00 0.00 H new ATOM 709 N GLU A 48 7.524 -14.173 -2.838 1.00 0.00 N ATOM 710 CA GLU A 48 7.209 -13.056 -1.907 1.00 0.00 C ATOM 711 C GLU A 48 8.171 -11.859 -2.124 1.00 0.00 C ATOM 712 O GLU A 48 7.769 -10.706 -2.051 1.00 0.00 O ATOM 713 CB GLU A 48 7.341 -13.533 -0.455 1.00 0.00 C ATOM 714 CG GLU A 48 8.522 -14.471 -0.207 1.00 0.00 C ATOM 715 CD GLU A 48 8.821 -14.675 1.252 1.00 0.00 C ATOM 716 OE1 GLU A 48 7.950 -15.179 1.976 1.00 0.00 O ATOM 717 OE2 GLU A 48 9.929 -14.339 1.703 1.00 0.00 O ATOM 0 H GLU A 48 7.379 -15.099 -2.435 1.00 0.00 H new ATOM 0 HA GLU A 48 6.187 -12.733 -2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.441 -12.663 0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.421 -14.042 -0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.313 -15.437 -0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.407 -14.068 -0.700 1.00 0.00 H new ATOM 724 N GLN A 49 9.429 -12.191 -2.427 1.00 0.00 N ATOM 725 CA GLN A 49 10.482 -11.273 -2.806 1.00 0.00 C ATOM 726 C GLN A 49 10.002 -10.377 -3.971 1.00 0.00 C ATOM 727 O GLN A 49 9.861 -9.169 -3.826 1.00 0.00 O ATOM 728 CB GLN A 49 11.693 -12.103 -3.258 1.00 0.00 C ATOM 729 CG GLN A 49 12.930 -11.271 -3.527 1.00 0.00 C ATOM 730 CD GLN A 49 13.974 -12.018 -4.317 1.00 0.00 C ATOM 731 OE1 GLN A 49 14.830 -12.704 -3.764 1.00 0.00 O ATOM 732 NE2 GLN A 49 13.932 -11.847 -5.617 1.00 0.00 N ATOM 0 H GLN A 49 9.747 -13.160 -2.411 1.00 0.00 H new ATOM 0 HA GLN A 49 10.750 -10.635 -1.964 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.922 -12.843 -2.492 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.430 -12.652 -4.162 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.645 -10.370 -4.070 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.360 -10.949 -2.578 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.202 -11.268 -6.032 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.629 -12.293 -6.213 1.00 0.00 H new ATOM 741 N LEU A 50 9.780 -10.986 -5.141 1.00 0.00 N ATOM 742 CA LEU A 50 9.218 -10.387 -6.336 1.00 0.00 C ATOM 743 C LEU A 50 7.967 -9.633 -6.023 1.00 0.00 C ATOM 744 O LEU A 50 7.706 -8.574 -6.594 1.00 0.00 O ATOM 745 CB LEU A 50 8.820 -11.466 -7.340 1.00 0.00 C ATOM 746 CG LEU A 50 9.880 -12.043 -8.255 1.00 0.00 C ATOM 747 CD1 LEU A 50 10.831 -12.959 -7.513 1.00 0.00 C ATOM 748 CD2 LEU A 50 9.196 -12.751 -9.405 1.00 0.00 C ATOM 0 H LEU A 50 10.005 -11.971 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 50 9.983 -9.725 -6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.384 -12.293 -6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.030 -11.055 -7.969 1.00 0.00 H new ATOM 0 HG LEU A 50 10.494 -11.232 -8.647 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.575 -13.351 -8.207 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.331 -12.400 -6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.272 -13.786 -7.075 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.948 -13.172 -10.072 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.567 -13.552 -9.017 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.580 -12.040 -9.955 1.00 0.00 H new ATOM 760 N LEU A 51 7.212 -10.178 -5.099 1.00 0.00 N ATOM 761 CA LEU A 51 5.923 -9.660 -4.717 1.00 0.00 C ATOM 762 C LEU A 51 5.970 -8.290 -4.124 1.00 0.00 C ATOM 763 O LEU A 51 4.974 -7.634 -4.040 1.00 0.00 O ATOM 764 CB LEU A 51 5.187 -10.612 -3.832 1.00 0.00 C ATOM 765 CG LEU A 51 4.397 -11.712 -4.521 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.065 -11.194 -5.009 1.00 0.00 C ATOM 767 CD2 LEU A 51 5.125 -12.345 -5.679 1.00 0.00 C ATOM 0 H LEU A 51 7.485 -11.013 -4.581 1.00 0.00 H new ATOM 0 HA LEU A 51 5.366 -9.558 -5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.908 -11.080 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.500 -10.037 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 51 4.253 -12.481 -3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.518 -12.000 -5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.486 -10.825 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.228 -10.383 -5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.500 -13.121 -6.121 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.346 -11.585 -6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.056 -12.787 -5.325 1.00 0.00 H new ATOM 779 N TYR A 52 7.139 -7.819 -3.879 1.00 0.00 N ATOM 780 CA TYR A 52 7.368 -6.531 -3.324 1.00 0.00 C ATOM 781 C TYR A 52 7.498 -5.544 -4.434 1.00 0.00 C ATOM 782 O TYR A 52 6.804 -4.553 -4.454 1.00 0.00 O ATOM 783 CB TYR A 52 8.645 -6.651 -2.592 1.00 0.00 C ATOM 784 CG TYR A 52 9.170 -5.399 -1.915 1.00 0.00 C ATOM 785 CD1 TYR A 52 8.553 -4.876 -0.789 1.00 0.00 C ATOM 786 CD2 TYR A 52 10.293 -4.743 -2.407 1.00 0.00 C ATOM 787 CE1 TYR A 52 9.041 -3.741 -0.167 1.00 0.00 C ATOM 788 CE2 TYR A 52 10.789 -3.610 -1.790 1.00 0.00 C ATOM 789 CZ TYR A 52 10.157 -3.114 -0.671 1.00 0.00 C ATOM 790 OH TYR A 52 10.645 -1.987 -0.057 1.00 0.00 O ATOM 0 H TYR A 52 7.996 -8.339 -4.066 1.00 0.00 H new ATOM 0 HA TYR A 52 6.561 -6.199 -2.671 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.529 -7.424 -1.832 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.404 -7.002 -3.291 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.676 -5.364 -0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.787 -5.126 -3.288 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.548 -3.349 0.710 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.666 -3.117 -2.183 1.00 0.00 H new ATOM 0 HH TYR A 52 10.444 -2.024 0.901 1.00 0.00 H new ATOM 800 N LEU A 53 8.326 -5.918 -5.403 1.00 0.00 N ATOM 801 CA LEU A 53 8.419 -4.948 -6.492 1.00 0.00 C ATOM 802 C LEU A 53 7.087 -4.837 -7.217 1.00 0.00 C ATOM 803 O LEU A 53 6.704 -3.773 -7.709 1.00 0.00 O ATOM 804 CB LEU A 53 9.700 -4.949 -7.395 1.00 0.00 C ATOM 805 CG LEU A 53 10.106 -6.163 -8.255 1.00 0.00 C ATOM 806 CD1 LEU A 53 10.458 -7.367 -7.425 1.00 0.00 C ATOM 807 CD2 LEU A 53 9.080 -6.492 -9.326 1.00 0.00 C ATOM 0 H LEU A 53 8.880 -6.772 -5.466 1.00 0.00 H new ATOM 0 HA LEU A 53 8.616 -3.997 -5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.603 -4.103 -8.076 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.544 -4.735 -6.739 1.00 0.00 H new ATOM 0 HG LEU A 53 11.016 -5.866 -8.777 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.736 -8.192 -8.081 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.295 -7.125 -6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.598 -7.657 -6.822 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.418 -7.354 -9.901 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.124 -6.721 -8.856 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.961 -5.637 -9.991 1.00 0.00 H new ATOM 819 N LYS A 54 6.361 -5.942 -7.221 1.00 0.00 N ATOM 820 CA LYS A 54 5.010 -5.877 -7.721 1.00 0.00 C ATOM 821 C LYS A 54 4.016 -5.197 -6.827 1.00 0.00 C ATOM 822 O LYS A 54 3.541 -4.169 -7.183 1.00 0.00 O ATOM 823 CB LYS A 54 4.410 -7.146 -8.249 1.00 0.00 C ATOM 824 CG LYS A 54 4.858 -8.383 -7.552 1.00 0.00 C ATOM 825 CD LYS A 54 5.250 -9.389 -8.557 1.00 0.00 C ATOM 826 CE LYS A 54 6.374 -8.839 -9.421 1.00 0.00 C ATOM 827 NZ LYS A 54 6.831 -9.781 -10.461 1.00 0.00 N ATOM 0 H LYS A 54 6.672 -6.858 -6.897 1.00 0.00 H new ATOM 0 HA LYS A 54 5.194 -5.237 -8.584 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.325 -7.077 -8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.653 -7.234 -9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.699 -8.161 -6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.057 -8.772 -6.924 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.573 -10.305 -8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.394 -9.648 -9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.038 -7.918 -9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.218 -8.577 -8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.783 -9.510 -10.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.858 -10.744 -10.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.174 -9.754 -11.267 1.00 0.00 H new ATOM 841 N GLU A 55 3.840 -5.717 -5.624 1.00 0.00 N ATOM 842 CA GLU A 55 2.651 -5.226 -4.887 1.00 0.00 C ATOM 843 C GLU A 55 2.710 -3.739 -4.664 1.00 0.00 C ATOM 844 O GLU A 55 1.735 -3.029 -4.832 1.00 0.00 O ATOM 845 CB GLU A 55 2.344 -5.947 -3.570 1.00 0.00 C ATOM 846 CG GLU A 55 3.296 -5.672 -2.423 1.00 0.00 C ATOM 847 CD GLU A 55 2.717 -6.160 -1.116 1.00 0.00 C ATOM 848 OE1 GLU A 55 1.945 -5.396 -0.499 1.00 0.00 O ATOM 849 OE2 GLU A 55 3.017 -7.297 -0.713 1.00 0.00 O ATOM 0 H GLU A 55 4.428 -6.409 -5.159 1.00 0.00 H new ATOM 0 HA GLU A 55 1.820 -5.468 -5.549 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.338 -5.672 -3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.336 -7.020 -3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.250 -6.165 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.497 -4.603 -2.360 1.00 0.00 H new ATOM 856 N ILE A 56 3.875 -3.292 -4.354 1.00 0.00 N ATOM 857 CA ILE A 56 4.012 -1.891 -4.033 1.00 0.00 C ATOM 858 C ILE A 56 4.024 -0.961 -5.257 1.00 0.00 C ATOM 859 O ILE A 56 3.570 0.170 -5.151 1.00 0.00 O ATOM 860 CB ILE A 56 5.205 -1.575 -3.138 1.00 0.00 C ATOM 861 CG1 ILE A 56 6.499 -1.761 -3.921 1.00 0.00 C ATOM 862 CG2 ILE A 56 5.184 -2.444 -1.892 1.00 0.00 C ATOM 863 CD1 ILE A 56 7.754 -1.597 -3.105 1.00 0.00 C ATOM 0 H ILE A 56 4.731 -3.845 -4.312 1.00 0.00 H new ATOM 0 HA ILE A 56 3.103 -1.684 -3.469 1.00 0.00 H new ATOM 0 HB ILE A 56 5.144 -0.536 -2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.499 -2.756 -4.367 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.518 -1.044 -4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.043 -2.203 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.266 -2.259 -1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.228 -3.494 -2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.625 -1.746 -3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.783 -0.594 -2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.763 -2.332 -2.300 1.00 0.00 H new ATOM 875 N SER A 57 4.523 -1.403 -6.401 1.00 0.00 N ATOM 876 CA SER A 57 4.578 -0.502 -7.551 1.00 0.00 C ATOM 877 C SER A 57 3.356 -0.752 -8.428 1.00 0.00 C ATOM 878 O SER A 57 2.866 0.123 -9.144 1.00 0.00 O ATOM 879 CB SER A 57 5.887 -0.695 -8.334 1.00 0.00 C ATOM 880 OG SER A 57 6.079 0.328 -9.310 1.00 0.00 O ATOM 0 H SER A 57 4.884 -2.343 -6.561 1.00 0.00 H new ATOM 0 HA SER A 57 4.564 0.533 -7.211 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.728 -0.697 -7.640 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.876 -1.668 -8.825 1.00 0.00 H new ATOM 0 HG SER A 57 6.921 0.172 -9.786 1.00 0.00 H new ATOM 886 N HIS A 58 2.894 -1.956 -8.368 1.00 0.00 N ATOM 887 CA HIS A 58 1.713 -2.374 -9.048 1.00 0.00 C ATOM 888 C HIS A 58 0.440 -2.018 -8.272 1.00 0.00 C ATOM 889 O HIS A 58 -0.244 -1.068 -8.652 1.00 0.00 O ATOM 890 CB HIS A 58 1.859 -3.853 -9.476 1.00 0.00 C ATOM 891 CG HIS A 58 0.634 -4.697 -9.570 1.00 0.00 C ATOM 892 ND1 HIS A 58 0.259 -5.455 -8.502 1.00 0.00 N ATOM 893 CD2 HIS A 58 -0.164 -4.978 -10.621 1.00 0.00 C ATOM 894 CE1 HIS A 58 -0.739 -6.189 -8.916 1.00 0.00 C ATOM 895 NE2 HIS A 58 -1.036 -5.946 -10.196 1.00 0.00 N ATOM 0 H HIS A 58 3.340 -2.698 -7.829 1.00 0.00 H new ATOM 0 HA HIS A 58 1.592 -1.810 -9.973 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.346 -3.868 -10.451 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.539 -4.335 -8.773 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -0.124 -4.529 -11.602 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -1.261 -6.905 -8.299 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -1.768 -6.393 -10.748 1.00 0.00 H new ATOM 903 N ALA A 59 0.117 -2.646 -7.144 1.00 0.00 N ATOM 904 CA ALA A 59 -1.146 -2.547 -6.444 1.00 0.00 C ATOM 905 C ALA A 59 -1.191 -1.359 -5.529 1.00 0.00 C ATOM 906 O ALA A 59 -2.123 -0.552 -5.584 1.00 0.00 O ATOM 907 CB ALA A 59 -1.313 -3.794 -5.610 1.00 0.00 C ATOM 0 H ALA A 59 0.772 -3.271 -6.674 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.941 -2.436 -7.181 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.259 -3.747 -5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.309 -4.669 -6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.492 -3.868 -4.897 1.00 0.00 H new ATOM 913 N LEU A 60 -0.198 -1.247 -4.667 1.00 0.00 N ATOM 914 CA LEU A 60 -0.121 -0.182 -3.711 1.00 0.00 C ATOM 915 C LEU A 60 0.070 1.121 -4.413 1.00 0.00 C ATOM 916 O LEU A 60 -0.535 2.094 -4.065 1.00 0.00 O ATOM 917 CB LEU A 60 0.990 -0.452 -2.722 1.00 0.00 C ATOM 918 CG LEU A 60 0.641 -0.207 -1.268 1.00 0.00 C ATOM 919 CD1 LEU A 60 -0.462 -1.174 -0.827 1.00 0.00 C ATOM 920 CD2 LEU A 60 1.883 -0.355 -0.417 1.00 0.00 C ATOM 0 H LEU A 60 0.581 -1.904 -4.618 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.056 -0.126 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.307 -1.489 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.845 0.172 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 60 0.264 0.808 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.708 -0.992 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.349 -1.018 -1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.115 -2.200 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.631 -0.179 0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.283 -1.363 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.632 0.370 -0.737 1.00 0.00 H new ATOM 932 N LYS A 61 0.833 1.111 -5.465 1.00 0.00 N ATOM 933 CA LYS A 61 1.020 2.323 -6.219 1.00 0.00 C ATOM 934 C LYS A 61 -0.248 2.634 -7.031 1.00 0.00 C ATOM 935 O LYS A 61 -0.449 3.762 -7.449 1.00 0.00 O ATOM 936 CB LYS A 61 2.263 2.220 -7.092 1.00 0.00 C ATOM 937 CG LYS A 61 2.652 3.482 -7.868 1.00 0.00 C ATOM 938 CD LYS A 61 3.866 4.206 -7.276 1.00 0.00 C ATOM 939 CE LYS A 61 3.649 4.678 -5.846 1.00 0.00 C ATOM 940 NZ LYS A 61 4.832 5.407 -5.321 1.00 0.00 N ATOM 0 H LYS A 61 1.330 0.294 -5.820 1.00 0.00 H new ATOM 0 HA LYS A 61 1.183 3.158 -5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.103 1.935 -6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.113 1.411 -7.807 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.867 3.213 -8.902 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.803 4.165 -7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.727 3.538 -7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.108 5.065 -7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.775 5.327 -5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.438 3.820 -5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.758 5.490 -4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.698 4.885 -5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.870 6.357 -5.742 1.00 0.00 H new ATOM 954 N SER A 62 -1.145 1.660 -7.174 1.00 0.00 N ATOM 955 CA SER A 62 -2.395 1.895 -7.849 1.00 0.00 C ATOM 956 C SER A 62 -3.381 2.533 -6.878 1.00 0.00 C ATOM 957 O SER A 62 -3.796 3.692 -7.034 1.00 0.00 O ATOM 958 CB SER A 62 -2.975 0.597 -8.433 1.00 0.00 C ATOM 959 OG SER A 62 -4.146 0.845 -9.198 1.00 0.00 O ATOM 0 H SER A 62 -1.019 0.708 -6.829 1.00 0.00 H new ATOM 0 HA SER A 62 -2.215 2.572 -8.684 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.226 0.113 -9.060 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.208 -0.094 -7.623 1.00 0.00 H new ATOM 0 HG SER A 62 -4.488 -0.001 -9.556 1.00 0.00 H new ATOM 965 N SER A 63 -3.666 1.806 -5.818 1.00 0.00 N ATOM 966 CA SER A 63 -4.626 2.176 -4.845 1.00 0.00 C ATOM 967 C SER A 63 -4.141 3.387 -4.091 1.00 0.00 C ATOM 968 O SER A 63 -4.919 4.236 -3.766 1.00 0.00 O ATOM 969 CB SER A 63 -4.877 0.995 -3.896 1.00 0.00 C ATOM 970 OG SER A 63 -5.913 1.268 -2.968 1.00 0.00 O ATOM 0 H SER A 63 -3.211 0.915 -5.620 1.00 0.00 H new ATOM 0 HA SER A 63 -5.568 2.431 -5.331 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.136 0.111 -4.479 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.959 0.763 -3.356 1.00 0.00 H new ATOM 0 HG SER A 63 -6.042 0.492 -2.384 1.00 0.00 H new ATOM 976 N ALA A 64 -2.861 3.455 -3.806 1.00 0.00 N ATOM 977 CA ALA A 64 -2.382 4.607 -3.060 1.00 0.00 C ATOM 978 C ALA A 64 -2.331 5.844 -3.942 1.00 0.00 C ATOM 979 O ALA A 64 -2.544 6.906 -3.484 1.00 0.00 O ATOM 980 CB ALA A 64 -1.061 4.373 -2.347 1.00 0.00 C ATOM 0 H ALA A 64 -2.156 2.764 -4.063 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.111 4.776 -2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.770 5.278 -1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.171 3.553 -1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.293 4.120 -3.078 1.00 0.00 H new ATOM 986 N ALA A 65 -2.130 5.706 -5.227 1.00 0.00 N ATOM 987 CA ALA A 65 -2.077 6.865 -6.136 1.00 0.00 C ATOM 988 C ALA A 65 -3.418 7.590 -6.121 1.00 0.00 C ATOM 989 O ALA A 65 -3.505 8.778 -6.384 1.00 0.00 O ATOM 990 CB ALA A 65 -1.755 6.433 -7.549 1.00 0.00 C ATOM 0 H ALA A 65 -1.998 4.805 -5.687 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.289 7.534 -5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.722 7.308 -8.198 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.787 5.933 -7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.524 5.747 -7.904 1.00 0.00 H new ATOM 996 N SER A 66 -4.457 6.850 -5.820 1.00 0.00 N ATOM 997 CA SER A 66 -5.757 7.421 -5.667 1.00 0.00 C ATOM 998 C SER A 66 -6.110 7.583 -4.177 1.00 0.00 C ATOM 999 O SER A 66 -6.325 8.694 -3.687 1.00 0.00 O ATOM 1000 CB SER A 66 -6.778 6.524 -6.362 1.00 0.00 C ATOM 1001 OG SER A 66 -6.402 6.307 -7.710 1.00 0.00 O ATOM 0 H SER A 66 -4.418 5.841 -5.676 1.00 0.00 H new ATOM 0 HA SER A 66 -5.771 8.411 -6.122 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.850 5.570 -5.839 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.765 6.985 -6.322 1.00 0.00 H new ATOM 0 HG SER A 66 -7.063 5.729 -8.145 1.00 0.00 H new ATOM 1007 N PHE A 67 -6.036 6.506 -3.424 1.00 0.00 N ATOM 1008 CA PHE A 67 -6.622 6.493 -2.079 1.00 0.00 C ATOM 1009 C PHE A 67 -5.552 6.606 -0.963 1.00 0.00 C ATOM 1010 O PHE A 67 -5.757 6.248 0.176 1.00 0.00 O ATOM 1011 CB PHE A 67 -7.482 5.227 -1.923 1.00 0.00 C ATOM 1012 CG PHE A 67 -8.409 4.950 -3.088 1.00 0.00 C ATOM 1013 CD1 PHE A 67 -9.558 5.699 -3.267 1.00 0.00 C ATOM 1014 CD2 PHE A 67 -8.130 3.941 -4.003 1.00 0.00 C ATOM 1015 CE1 PHE A 67 -10.410 5.453 -4.327 1.00 0.00 C ATOM 1016 CE2 PHE A 67 -8.978 3.690 -5.063 1.00 0.00 C ATOM 1017 CZ PHE A 67 -10.117 4.448 -5.226 1.00 0.00 C ATOM 0 H PHE A 67 -5.585 5.635 -3.705 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.253 7.374 -1.966 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.823 4.370 -1.788 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.078 5.317 -1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -9.793 6.488 -2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.237 3.345 -3.883 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.304 6.046 -4.452 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.749 2.901 -5.764 1.00 0.00 H new ATOM 0 HZ PHE A 67 -10.780 4.256 -6.057 1.00 0.00 H new ATOM 1027 N GLY A 68 -4.439 7.156 -1.319 1.00 0.00 N ATOM 1028 CA GLY A 68 -3.348 7.384 -0.366 1.00 0.00 C ATOM 1029 C GLY A 68 -2.267 8.140 -1.064 1.00 0.00 C ATOM 1030 O GLY A 68 -1.081 7.926 -0.845 1.00 0.00 O ATOM 0 H GLY A 68 -4.238 7.467 -2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.708 7.945 0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.966 6.434 0.009 1.00 0.00 H new ATOM 1034 N ALA A 69 -2.758 9.079 -1.861 1.00 0.00 N ATOM 1035 CA ALA A 69 -1.932 9.864 -2.801 1.00 0.00 C ATOM 1036 C ALA A 69 -1.059 10.903 -2.100 1.00 0.00 C ATOM 1037 O ALA A 69 -0.645 11.909 -2.688 1.00 0.00 O ATOM 1038 CB ALA A 69 -2.822 10.541 -3.835 1.00 0.00 C ATOM 0 H ALA A 69 -3.747 9.328 -1.882 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.257 9.164 -3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.205 11.118 -4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.376 9.784 -4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.523 11.207 -3.332 1.00 0.00 H new ATOM 1044 N ASP A 70 -0.734 10.618 -0.875 1.00 0.00 N ATOM 1045 CA ASP A 70 0.014 11.500 -0.042 1.00 0.00 C ATOM 1046 C ASP A 70 1.297 10.745 0.246 1.00 0.00 C ATOM 1047 O ASP A 70 1.875 10.111 -0.665 1.00 0.00 O ATOM 1048 CB ASP A 70 -0.751 11.837 1.250 1.00 0.00 C ATOM 1049 CG ASP A 70 -2.061 12.547 1.000 1.00 0.00 C ATOM 1050 OD1 ASP A 70 -2.051 13.793 0.824 1.00 0.00 O ATOM 1051 OD2 ASP A 70 -3.097 11.879 0.977 1.00 0.00 O ATOM 0 H ASP A 70 -0.990 9.742 -0.419 1.00 0.00 H new ATOM 0 HA ASP A 70 0.202 12.462 -0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.944 10.916 1.801 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.122 12.462 1.884 1.00 0.00 H new ATOM 1056 N ARG A 71 1.732 10.703 1.471 1.00 0.00 N ATOM 1057 CA ARG A 71 2.909 10.142 2.037 1.00 0.00 C ATOM 1058 C ARG A 71 3.091 8.665 1.755 1.00 0.00 C ATOM 1059 O ARG A 71 4.019 8.322 1.085 1.00 0.00 O ATOM 1060 CB ARG A 71 2.721 10.423 3.512 1.00 0.00 C ATOM 1061 CG ARG A 71 3.753 9.977 4.503 1.00 0.00 C ATOM 1062 CD ARG A 71 3.334 10.556 5.848 1.00 0.00 C ATOM 1063 NE ARG A 71 4.204 10.218 6.955 1.00 0.00 N ATOM 1064 CZ ARG A 71 4.126 10.791 8.158 1.00 0.00 C ATOM 1065 NH1 ARG A 71 3.265 11.796 8.373 1.00 0.00 N ATOM 1066 NH2 ARG A 71 4.923 10.389 9.135 1.00 0.00 N ATOM 0 H ARG A 71 1.171 11.134 2.206 1.00 0.00 H new ATOM 0 HA ARG A 71 3.816 10.572 1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.611 11.502 3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.773 9.973 3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.805 8.889 4.547 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.744 10.332 4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.286 11.641 5.761 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.326 10.210 6.078 1.00 0.00 H new ATOM 0 HE ARG A 71 4.916 9.502 6.807 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.666 12.125 7.616 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.209 12.231 9.294 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.597 9.641 8.969 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.864 10.827 10.054 1.00 0.00 H new ATOM 1080 N LEU A 72 2.173 7.803 2.179 1.00 0.00 N ATOM 1081 CA LEU A 72 2.392 6.337 2.071 1.00 0.00 C ATOM 1082 C LEU A 72 2.644 5.945 0.606 1.00 0.00 C ATOM 1083 O LEU A 72 3.326 4.986 0.305 1.00 0.00 O ATOM 1084 CB LEU A 72 1.179 5.563 2.651 1.00 0.00 C ATOM 1085 CG LEU A 72 0.076 5.107 1.669 1.00 0.00 C ATOM 1086 CD1 LEU A 72 0.385 3.726 1.094 1.00 0.00 C ATOM 1087 CD2 LEU A 72 -1.275 5.106 2.337 1.00 0.00 C ATOM 0 H LEU A 72 1.281 8.072 2.595 1.00 0.00 H new ATOM 0 HA LEU A 72 3.273 6.069 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.560 4.678 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.713 6.192 3.409 1.00 0.00 H new ATOM 0 HG LEU A 72 0.053 5.822 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.408 3.432 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.334 3.759 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.450 3.000 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.033 4.781 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.260 4.424 3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.510 6.112 2.684 1.00 0.00 H new ATOM 1099 N CYS A 73 2.156 6.785 -0.263 1.00 0.00 N ATOM 1100 CA CYS A 73 2.230 6.436 -1.672 1.00 0.00 C ATOM 1101 C CYS A 73 3.678 6.490 -2.152 1.00 0.00 C ATOM 1102 O CYS A 73 4.249 5.490 -2.617 1.00 0.00 O ATOM 1103 CB CYS A 73 1.315 7.317 -2.527 1.00 0.00 C ATOM 1104 SG CYS A 73 1.286 6.931 -4.293 1.00 0.00 S ATOM 0 H CYS A 73 1.719 7.681 -0.045 1.00 0.00 H new ATOM 0 HA CYS A 73 1.870 5.414 -1.788 1.00 0.00 H new ATOM 0 HB2 CYS A 73 0.299 7.238 -2.140 1.00 0.00 H new ATOM 0 HB3 CYS A 73 1.623 8.355 -2.405 1.00 0.00 H new ATOM 0 HG CYS A 73 0.839 7.957 -4.954 1.00 0.00 H new ATOM 1110 N GLU A 74 4.328 7.590 -1.913 1.00 0.00 N ATOM 1111 CA GLU A 74 5.656 7.743 -2.486 1.00 0.00 C ATOM 1112 C GLU A 74 6.707 7.674 -1.417 1.00 0.00 C ATOM 1113 O GLU A 74 7.814 7.159 -1.636 1.00 0.00 O ATOM 1114 CB GLU A 74 5.761 9.037 -3.291 1.00 0.00 C ATOM 1115 CG GLU A 74 7.079 9.204 -4.019 1.00 0.00 C ATOM 1116 CD GLU A 74 7.242 8.218 -5.161 1.00 0.00 C ATOM 1117 OE1 GLU A 74 7.106 6.993 -4.954 1.00 0.00 O ATOM 1118 OE2 GLU A 74 7.446 8.658 -6.311 1.00 0.00 O ATOM 0 H GLU A 74 3.990 8.371 -1.351 1.00 0.00 H new ATOM 0 HA GLU A 74 5.827 6.916 -3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.950 9.067 -4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.619 9.883 -2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.149 10.220 -4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.899 9.076 -3.313 1.00 0.00 H new ATOM 1125 N ARG A 75 6.329 8.088 -0.241 1.00 0.00 N ATOM 1126 CA ARG A 75 7.234 8.099 0.864 1.00 0.00 C ATOM 1127 C ARG A 75 7.474 6.648 1.248 1.00 0.00 C ATOM 1128 O ARG A 75 8.479 6.323 1.786 1.00 0.00 O ATOM 1129 CB ARG A 75 6.640 8.947 2.029 1.00 0.00 C ATOM 1130 CG ARG A 75 7.345 8.901 3.380 1.00 0.00 C ATOM 1131 CD ARG A 75 7.099 7.579 4.100 1.00 0.00 C ATOM 1132 NE ARG A 75 8.081 7.293 5.153 1.00 0.00 N ATOM 1133 CZ ARG A 75 8.718 6.113 5.290 1.00 0.00 C ATOM 1134 NH1 ARG A 75 8.628 5.195 4.330 1.00 0.00 N ATOM 1135 NH2 ARG A 75 9.505 5.902 6.336 1.00 0.00 N ATOM 0 H ARG A 75 5.390 8.425 -0.026 1.00 0.00 H new ATOM 0 HA ARG A 75 8.187 8.564 0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.610 9.987 1.703 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.608 8.630 2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.416 9.043 3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.994 9.725 4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.101 7.594 4.539 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.114 6.769 3.371 1.00 0.00 H new ATOM 0 HE ARG A 75 8.294 8.033 5.822 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.078 5.385 3.492 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.109 4.302 4.432 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.628 6.633 7.037 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.987 5.009 6.440 1.00 0.00 H new ATOM 1149 N ALA A 76 6.586 5.746 0.921 1.00 0.00 N ATOM 1150 CA ALA A 76 6.861 4.399 1.301 1.00 0.00 C ATOM 1151 C ALA A 76 7.642 3.791 0.192 1.00 0.00 C ATOM 1152 O ALA A 76 8.767 3.403 0.366 1.00 0.00 O ATOM 1153 CB ALA A 76 5.596 3.622 1.586 1.00 0.00 C ATOM 0 H ALA A 76 5.713 5.911 0.419 1.00 0.00 H new ATOM 0 HA ALA A 76 7.430 4.375 2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.852 2.602 1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.051 4.100 2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.972 3.603 0.693 1.00 0.00 H new ATOM 1159 N ILE A 77 7.077 3.890 -0.986 1.00 0.00 N ATOM 1160 CA ILE A 77 7.664 3.176 -2.107 1.00 0.00 C ATOM 1161 C ILE A 77 9.167 3.432 -2.371 1.00 0.00 C ATOM 1162 O ILE A 77 9.971 2.491 -2.587 1.00 0.00 O ATOM 1163 CB ILE A 77 6.765 3.203 -3.353 1.00 0.00 C ATOM 1164 CG1 ILE A 77 5.366 2.643 -2.991 1.00 0.00 C ATOM 1165 CG2 ILE A 77 7.371 2.408 -4.504 1.00 0.00 C ATOM 1166 CD1 ILE A 77 5.367 1.652 -1.835 1.00 0.00 C ATOM 0 H ILE A 77 6.241 4.436 -1.197 1.00 0.00 H new ATOM 0 HA ILE A 77 7.691 2.136 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 77 6.673 4.237 -3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.708 3.475 -2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.944 2.157 -3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.706 2.451 -5.366 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.338 2.834 -4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.503 1.370 -4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.349 1.310 -1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.996 0.798 -2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.757 2.137 -0.940 1.00 0.00 H new ATOM 1178 N ALA A 78 9.581 4.633 -2.102 1.00 0.00 N ATOM 1179 CA ALA A 78 10.936 5.037 -2.379 1.00 0.00 C ATOM 1180 C ALA A 78 11.761 4.866 -1.115 1.00 0.00 C ATOM 1181 O ALA A 78 12.854 4.293 -1.119 1.00 0.00 O ATOM 1182 CB ALA A 78 10.973 6.479 -2.864 1.00 0.00 C ATOM 0 H ALA A 78 8.998 5.360 -1.687 1.00 0.00 H new ATOM 0 HA ALA A 78 11.354 4.415 -3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.004 6.768 -3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.383 6.572 -3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.559 7.132 -2.096 1.00 0.00 H new ATOM 1188 N ILE A 79 11.133 5.204 -0.013 1.00 0.00 N ATOM 1189 CA ILE A 79 11.807 5.344 1.264 1.00 0.00 C ATOM 1190 C ILE A 79 11.815 4.036 2.027 1.00 0.00 C ATOM 1191 O ILE A 79 12.599 3.848 2.990 1.00 0.00 O ATOM 1192 CB ILE A 79 11.180 6.478 2.069 1.00 0.00 C ATOM 1193 CG1 ILE A 79 11.082 7.717 1.170 1.00 0.00 C ATOM 1194 CG2 ILE A 79 11.941 6.792 3.362 1.00 0.00 C ATOM 1195 CD1 ILE A 79 12.412 8.297 0.718 1.00 0.00 C ATOM 0 H ILE A 79 10.131 5.392 0.026 1.00 0.00 H new ATOM 0 HA ILE A 79 12.850 5.604 1.083 1.00 0.00 H new ATOM 0 HB ILE A 79 10.187 6.161 2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.497 7.460 0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 79 10.529 8.490 1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.444 7.607 3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.958 5.907 3.998 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.963 7.085 3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.234 9.168 0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.995 8.593 1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.963 7.546 0.151 1.00 0.00 H new ATOM 1207 N ASP A 80 11.316 3.021 1.377 1.00 0.00 N ATOM 1208 CA ASP A 80 11.237 1.701 1.837 1.00 0.00 C ATOM 1209 C ASP A 80 12.256 0.939 1.250 1.00 0.00 C ATOM 1210 O ASP A 80 13.174 0.598 1.953 1.00 0.00 O ATOM 1211 CB ASP A 80 9.822 1.078 1.789 1.00 0.00 C ATOM 1212 CG ASP A 80 8.924 1.575 2.948 1.00 0.00 C ATOM 1213 OD1 ASP A 80 8.969 2.776 3.306 1.00 0.00 O ATOM 1214 OD2 ASP A 80 8.249 0.749 3.598 1.00 0.00 O ATOM 0 H ASP A 80 10.929 3.126 0.439 1.00 0.00 H new ATOM 0 HA ASP A 80 11.418 1.706 2.912 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.351 1.323 0.837 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.903 -0.008 1.835 1.00 0.00 H new ATOM 1219 N LYS A 81 12.211 0.831 -0.074 1.00 0.00 N ATOM 1220 CA LYS A 81 13.201 0.032 -0.748 1.00 0.00 C ATOM 1221 C LYS A 81 14.610 0.355 -0.301 1.00 0.00 C ATOM 1222 O LYS A 81 15.277 -0.521 0.266 1.00 0.00 O ATOM 1223 CB LYS A 81 13.046 0.075 -2.262 1.00 0.00 C ATOM 1224 CG LYS A 81 12.945 1.473 -2.841 1.00 0.00 C ATOM 1225 CD LYS A 81 12.895 1.410 -4.341 1.00 0.00 C ATOM 1226 CE LYS A 81 12.666 2.763 -4.972 1.00 0.00 C ATOM 1227 NZ LYS A 81 11.228 3.097 -5.028 1.00 0.00 N ATOM 0 H LYS A 81 11.519 1.275 -0.677 1.00 0.00 H new ATOM 0 HA LYS A 81 13.017 -1.000 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.896 -0.433 -2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.154 -0.486 -2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.052 1.969 -2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.800 2.069 -2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.830 0.993 -4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.098 0.731 -4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.196 3.526 -4.402 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.082 2.771 -5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.113 4.129 -5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.801 2.652 -5.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.756 2.746 -4.170 1.00 0.00 H new ATOM 1241 N LYS A 82 14.914 1.654 -0.187 1.00 0.00 N ATOM 1242 CA LYS A 82 16.286 2.069 -0.066 1.00 0.00 C ATOM 1243 C LYS A 82 16.769 1.874 1.378 1.00 0.00 C ATOM 1244 O LYS A 82 17.782 1.197 1.639 1.00 0.00 O ATOM 1245 CB LYS A 82 16.492 3.487 -0.631 1.00 0.00 C ATOM 1246 CG LYS A 82 15.649 4.569 0.003 1.00 0.00 C ATOM 1247 CD LYS A 82 16.238 5.065 1.285 1.00 0.00 C ATOM 1248 CE LYS A 82 15.433 6.201 1.885 1.00 0.00 C ATOM 1249 NZ LYS A 82 16.064 6.748 3.110 1.00 0.00 N ATOM 0 H LYS A 82 14.231 2.411 -0.178 1.00 0.00 H new ATOM 0 HA LYS A 82 16.922 1.433 -0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.542 3.756 -0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.282 3.467 -1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.545 5.401 -0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.647 4.183 0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.292 4.244 2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.260 5.401 1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.325 6.997 1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.430 5.847 2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.343 6.862 3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.801 6.094 3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.491 7.672 2.897 1.00 0.00 H new ATOM 1263 N ALA A 83 15.935 2.142 2.360 1.00 0.00 N ATOM 1264 CA ALA A 83 16.460 2.119 3.684 1.00 0.00 C ATOM 1265 C ALA A 83 15.492 1.525 4.554 1.00 0.00 C ATOM 1266 O ALA A 83 15.854 0.899 5.437 1.00 0.00 O ATOM 1267 CB ALA A 83 16.830 3.495 4.198 1.00 0.00 C ATOM 0 H ALA A 83 14.944 2.366 2.266 1.00 0.00 H new ATOM 0 HA ALA A 83 17.380 1.534 3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 83 17.224 3.411 5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.588 3.934 3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.945 4.131 4.204 1.00 0.00 H new ATOM 1273 N LYS A 84 14.268 1.870 4.368 1.00 0.00 N ATOM 1274 CA LYS A 84 13.371 1.090 5.187 1.00 0.00 C ATOM 1275 C LYS A 84 13.623 -0.446 5.023 1.00 0.00 C ATOM 1276 O LYS A 84 13.609 -1.160 6.022 1.00 0.00 O ATOM 1277 CB LYS A 84 11.920 1.496 5.106 1.00 0.00 C ATOM 1278 CG LYS A 84 10.962 0.318 5.008 1.00 0.00 C ATOM 1279 CD LYS A 84 10.547 -0.151 6.362 1.00 0.00 C ATOM 1280 CE LYS A 84 9.601 0.860 6.954 1.00 0.00 C ATOM 1281 NZ LYS A 84 8.282 0.853 6.254 1.00 0.00 N ATOM 0 H LYS A 84 13.885 2.585 3.749 1.00 0.00 H new ATOM 0 HA LYS A 84 13.626 1.334 6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.667 2.087 5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.780 2.141 4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.082 0.608 4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.440 -0.499 4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.064 -1.125 6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.420 -0.273 7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.453 0.645 8.012 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.043 1.854 6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.974 1.832 6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.374 0.356 5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.578 0.367 6.845 1.00 0.00 H new ATOM 1295 N ALA A 85 14.007 -0.945 3.828 1.00 0.00 N ATOM 1296 CA ALA A 85 14.292 -2.337 3.772 1.00 0.00 C ATOM 1297 C ALA A 85 15.723 -2.618 4.253 1.00 0.00 C ATOM 1298 O ALA A 85 15.950 -3.614 4.953 1.00 0.00 O ATOM 1299 CB ALA A 85 14.072 -2.854 2.360 1.00 0.00 C ATOM 0 H ALA A 85 14.113 -0.421 2.959 1.00 0.00 H new ATOM 0 HA ALA A 85 13.612 -2.865 4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 85 14.292 -3.921 2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.035 -2.688 2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 85 14.731 -2.325 1.672 1.00 0.00 H new ATOM 1305 N ASN A 86 16.700 -1.727 3.983 1.00 0.00 N ATOM 1306 CA ASN A 86 18.050 -2.016 4.481 1.00 0.00 C ATOM 1307 C ASN A 86 18.416 -1.484 5.865 1.00 0.00 C ATOM 1308 O ASN A 86 19.461 -1.847 6.402 1.00 0.00 O ATOM 1309 CB ASN A 86 19.088 -1.605 3.470 1.00 0.00 C ATOM 1310 CG ASN A 86 19.071 -2.500 2.243 1.00 0.00 C ATOM 1311 OD1 ASN A 86 18.358 -2.237 1.283 1.00 0.00 O ATOM 1312 ND2 ASN A 86 19.841 -3.580 2.268 1.00 0.00 N ATOM 0 H ASN A 86 16.590 -0.859 3.459 1.00 0.00 H new ATOM 0 HA ASN A 86 18.038 -3.097 4.619 1.00 0.00 H new ATOM 0 HB2 ASN A 86 18.912 -0.572 3.168 1.00 0.00 H new ATOM 0 HB3 ASN A 86 20.076 -1.639 3.930 1.00 0.00 H new ATOM 0 HD21 ASN A 86 19.850 -4.218 1.473 1.00 0.00 H new ATOM 0 HD22 ASN A 86 20.424 -3.772 3.083 1.00 0.00 H new ATOM 1319 N GLN A 87 17.611 -0.631 6.435 1.00 0.00 N ATOM 1320 CA GLN A 87 17.848 -0.091 7.765 1.00 0.00 C ATOM 1321 C GLN A 87 17.276 -1.048 8.730 1.00 0.00 C ATOM 1322 O GLN A 87 17.763 -1.153 9.842 1.00 0.00 O ATOM 1323 CB GLN A 87 17.201 1.313 8.000 1.00 0.00 C ATOM 1324 CG GLN A 87 15.697 1.303 8.277 1.00 0.00 C ATOM 1325 CD GLN A 87 15.332 1.622 9.713 1.00 0.00 C ATOM 1326 OE1 GLN A 87 15.085 2.777 10.051 1.00 0.00 O ATOM 1327 NE2 GLN A 87 15.322 0.628 10.569 1.00 0.00 N ATOM 0 H GLN A 87 16.761 -0.281 5.993 1.00 0.00 H new ATOM 0 HA GLN A 87 18.923 0.045 7.887 1.00 0.00 H new ATOM 0 HB2 GLN A 87 17.705 1.791 8.840 1.00 0.00 H new ATOM 0 HB3 GLN A 87 17.388 1.932 7.122 1.00 0.00 H new ATOM 0 HG2 GLN A 87 15.212 2.026 7.621 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.297 0.322 8.021 1.00 0.00 H new ATOM 0 HE21 GLN A 87 15.532 -0.319 10.253 1.00 0.00 H new ATOM 0 HE22 GLN A 87 15.104 0.802 11.550 1.00 0.00 H new ATOM 1336 N LEU A 88 16.175 -1.722 8.339 1.00 0.00 N ATOM 1337 CA LEU A 88 15.574 -2.744 9.116 1.00 0.00 C ATOM 1338 C LEU A 88 16.670 -3.758 9.327 1.00 0.00 C ATOM 1339 O LEU A 88 17.088 -3.981 10.460 1.00 0.00 O ATOM 1340 CB LEU A 88 14.276 -3.289 8.416 1.00 0.00 C ATOM 1341 CG LEU A 88 12.928 -2.732 8.925 1.00 0.00 C ATOM 1342 CD1 LEU A 88 12.606 -3.300 10.292 1.00 0.00 C ATOM 1343 CD2 LEU A 88 12.934 -1.214 9.010 1.00 0.00 C ATOM 0 H LEU A 88 15.696 -1.544 7.456 1.00 0.00 H new ATOM 0 HA LEU A 88 15.205 -2.406 10.084 1.00 0.00 H new ATOM 0 HB2 LEU A 88 14.350 -3.078 7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 88 14.260 -4.373 8.526 1.00 0.00 H new ATOM 0 HG LEU A 88 12.167 -3.033 8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.653 -2.898 10.638 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.540 -4.386 10.228 1.00 0.00 H new ATOM 0 HD13 LEU A 88 13.392 -3.025 10.995 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.967 -0.866 9.372 1.00 0.00 H new ATOM 0 HD22 LEU A 88 13.716 -0.891 9.697 1.00 0.00 H new ATOM 0 HD23 LEU A 88 13.123 -0.795 8.022 1.00 0.00 H new ATOM 1355 N GLN A 89 17.139 -4.388 8.266 1.00 0.00 N ATOM 1356 CA GLN A 89 18.360 -5.158 8.292 1.00 0.00 C ATOM 1357 C GLN A 89 19.168 -5.021 7.004 1.00 0.00 C ATOM 1358 O GLN A 89 18.626 -4.689 5.942 1.00 0.00 O ATOM 1359 CB GLN A 89 18.142 -6.590 8.655 1.00 0.00 C ATOM 1360 CG GLN A 89 16.998 -7.197 7.967 1.00 0.00 C ATOM 1361 CD GLN A 89 17.442 -8.315 7.102 1.00 0.00 C ATOM 1362 OE1 GLN A 89 17.511 -9.461 7.515 1.00 0.00 O ATOM 1363 NE2 GLN A 89 17.764 -7.982 5.891 1.00 0.00 N ATOM 0 H GLN A 89 16.677 -4.377 7.357 1.00 0.00 H new ATOM 0 HA GLN A 89 18.958 -4.723 9.093 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.042 -7.158 8.419 1.00 0.00 H new ATOM 0 HB3 GLN A 89 17.991 -6.665 9.732 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.278 -7.561 8.700 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.488 -6.445 7.365 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.689 -7.010 5.592 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.092 -8.693 5.237 1.00 0.00 H new ATOM 1372 N GLU A 90 20.404 -5.467 7.107 1.00 0.00 N ATOM 1373 CA GLU A 90 21.484 -5.317 6.107 1.00 0.00 C ATOM 1374 C GLU A 90 21.236 -5.954 4.718 1.00 0.00 C ATOM 1375 O GLU A 90 22.120 -5.927 3.865 1.00 0.00 O ATOM 1376 CB GLU A 90 22.793 -5.843 6.704 1.00 0.00 C ATOM 1377 CG GLU A 90 22.684 -7.266 7.249 1.00 0.00 C ATOM 1378 CD GLU A 90 23.984 -7.802 7.793 1.00 0.00 C ATOM 1379 OE1 GLU A 90 24.780 -8.344 7.010 1.00 0.00 O ATOM 1380 OE2 GLU A 90 24.219 -7.732 9.014 1.00 0.00 O ATOM 0 H GLU A 90 20.717 -5.976 7.934 1.00 0.00 H new ATOM 0 HA GLU A 90 21.528 -4.248 5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 90 23.570 -5.813 5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 90 23.110 -5.178 7.507 1.00 0.00 H new ATOM 0 HG2 GLU A 90 21.932 -7.288 8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 90 22.332 -7.925 6.455 1.00 0.00 H new ATOM 1387 N GLN A 91 20.043 -6.462 4.468 1.00 0.00 N ATOM 1388 CA GLN A 91 19.768 -7.214 3.239 1.00 0.00 C ATOM 1389 C GLN A 91 18.393 -6.883 2.660 1.00 0.00 C ATOM 1390 O GLN A 91 17.871 -7.637 1.845 1.00 0.00 O ATOM 1391 CB GLN A 91 19.843 -8.714 3.533 1.00 0.00 C ATOM 1392 CG GLN A 91 21.211 -9.189 3.995 1.00 0.00 C ATOM 1393 CD GLN A 91 21.218 -10.623 4.472 1.00 0.00 C ATOM 1394 OE1 GLN A 91 20.220 -11.122 4.986 1.00 0.00 O ATOM 1395 NE2 GLN A 91 22.353 -11.270 4.360 1.00 0.00 N ATOM 0 H GLN A 91 19.243 -6.372 5.095 1.00 0.00 H new ATOM 0 HA GLN A 91 20.519 -6.930 2.502 1.00 0.00 H new ATOM 0 HB2 GLN A 91 19.107 -8.960 4.299 1.00 0.00 H new ATOM 0 HB3 GLN A 91 19.564 -9.264 2.634 1.00 0.00 H new ATOM 0 HG2 GLN A 91 21.921 -9.083 3.174 1.00 0.00 H new ATOM 0 HG3 GLN A 91 21.558 -8.544 4.802 1.00 0.00 H new ATOM 0 HE21 GLN A 91 23.157 -10.817 3.926 1.00 0.00 H new ATOM 0 HE22 GLN A 91 22.431 -12.226 4.707 1.00 0.00 H new ATOM 1404 N GLY A 92 17.789 -5.769 3.076 1.00 0.00 N ATOM 1405 CA GLY A 92 16.478 -5.424 2.535 1.00 0.00 C ATOM 1406 C GLY A 92 15.383 -6.238 3.183 1.00 0.00 C ATOM 1407 O GLY A 92 14.359 -6.448 2.615 1.00 0.00 O ATOM 0 H GLY A 92 18.169 -5.114 3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.286 -4.363 2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 92 16.471 -5.594 1.458 1.00 0.00 H new ATOM 1411 N MET A 93 15.715 -6.758 4.361 1.00 0.00 N ATOM 1412 CA MET A 93 14.889 -7.657 5.222 1.00 0.00 C ATOM 1413 C MET A 93 14.671 -9.016 4.587 1.00 0.00 C ATOM 1414 O MET A 93 14.358 -9.991 5.273 1.00 0.00 O ATOM 1415 CB MET A 93 13.584 -7.007 5.640 1.00 0.00 C ATOM 1416 CG MET A 93 13.788 -5.904 6.648 1.00 0.00 C ATOM 1417 SD MET A 93 13.868 -6.487 8.357 1.00 0.00 S ATOM 1418 CE MET A 93 12.131 -6.601 8.751 1.00 0.00 C ATOM 0 H MET A 93 16.622 -6.562 4.784 1.00 0.00 H new ATOM 0 HA MET A 93 15.461 -7.827 6.134 1.00 0.00 H new ATOM 0 HB2 MET A 93 13.084 -6.603 4.760 1.00 0.00 H new ATOM 0 HB3 MET A 93 12.923 -7.764 6.062 1.00 0.00 H new ATOM 0 HG2 MET A 93 14.710 -5.373 6.411 1.00 0.00 H new ATOM 0 HG3 MET A 93 12.974 -5.185 6.556 1.00 0.00 H new ATOM 0 HE1 MET A 93 12.007 -7.113 9.705 1.00 0.00 H new ATOM 0 HE2 MET A 93 11.707 -5.599 8.819 1.00 0.00 H new ATOM 0 HE3 MET A 93 11.617 -7.160 7.970 1.00 0.00 H new ATOM 1428 N GLU A 94 14.883 -9.029 3.280 1.00 0.00 N ATOM 1429 CA GLU A 94 14.782 -10.133 2.332 1.00 0.00 C ATOM 1430 C GLU A 94 13.514 -10.969 2.477 1.00 0.00 C ATOM 1431 O GLU A 94 13.418 -12.037 1.869 1.00 0.00 O ATOM 1432 CB GLU A 94 16.053 -10.995 2.296 1.00 0.00 C ATOM 1433 CG GLU A 94 16.415 -11.676 3.606 1.00 0.00 C ATOM 1434 CD GLU A 94 17.505 -12.698 3.452 1.00 0.00 C ATOM 1435 OE1 GLU A 94 18.439 -12.485 2.666 1.00 0.00 O ATOM 1436 OE2 GLU A 94 17.436 -13.757 4.105 1.00 0.00 O ATOM 0 H GLU A 94 15.161 -8.171 2.803 1.00 0.00 H new ATOM 0 HA GLU A 94 14.693 -9.656 1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.931 -11.760 1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.889 -10.367 1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 94 16.730 -10.922 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.528 -12.158 4.017 1.00 0.00 H new ATOM 1443 N THR A 95 12.504 -10.417 3.168 1.00 0.00 N ATOM 1444 CA THR A 95 11.279 -11.161 3.485 1.00 0.00 C ATOM 1445 C THR A 95 10.415 -10.456 4.569 1.00 0.00 C ATOM 1446 O THR A 95 9.205 -10.266 4.401 1.00 0.00 O ATOM 1447 CB THR A 95 11.593 -12.634 3.923 1.00 0.00 C ATOM 1448 OG1 THR A 95 10.402 -13.403 4.132 1.00 0.00 O ATOM 1449 CG2 THR A 95 12.502 -12.717 5.157 1.00 0.00 C ATOM 0 H THR A 95 12.513 -9.459 3.517 1.00 0.00 H new ATOM 0 HA THR A 95 10.698 -11.187 2.563 1.00 0.00 H new ATOM 0 HB THR A 95 12.141 -13.069 3.087 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.963 -13.566 3.271 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.681 -13.763 5.408 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.452 -12.228 4.943 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.020 -12.219 5.998 1.00 0.00 H new ATOM 1457 N SER A 96 11.018 -10.031 5.656 1.00 0.00 N ATOM 1458 CA SER A 96 10.251 -9.574 6.792 1.00 0.00 C ATOM 1459 C SER A 96 9.665 -8.158 6.663 1.00 0.00 C ATOM 1460 O SER A 96 8.780 -7.776 7.427 1.00 0.00 O ATOM 1461 CB SER A 96 11.093 -9.795 8.041 1.00 0.00 C ATOM 1462 OG SER A 96 12.462 -9.558 7.729 1.00 0.00 O ATOM 0 H SER A 96 12.030 -9.992 5.777 1.00 0.00 H new ATOM 0 HA SER A 96 9.340 -10.169 6.856 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.768 -9.125 8.837 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.962 -10.813 8.407 1.00 0.00 H new ATOM 0 HG SER A 96 13.009 -9.697 8.530 1.00 0.00 H new ATOM 1468 N GLU A 97 10.148 -7.400 5.705 1.00 0.00 N ATOM 1469 CA GLU A 97 9.607 -6.061 5.497 1.00 0.00 C ATOM 1470 C GLU A 97 8.489 -6.158 4.472 1.00 0.00 C ATOM 1471 O GLU A 97 7.427 -5.546 4.583 1.00 0.00 O ATOM 1472 CB GLU A 97 10.723 -5.089 5.049 1.00 0.00 C ATOM 1473 CG GLU A 97 11.020 -4.932 3.536 1.00 0.00 C ATOM 1474 CD GLU A 97 11.458 -6.197 2.792 1.00 0.00 C ATOM 1475 OE1 GLU A 97 11.476 -7.315 3.399 1.00 0.00 O ATOM 1476 OE2 GLU A 97 11.728 -6.090 1.589 1.00 0.00 O ATOM 0 H GLU A 97 10.896 -7.671 5.067 1.00 0.00 H new ATOM 0 HA GLU A 97 9.203 -5.661 6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.476 -4.102 5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.647 -5.402 5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.125 -4.543 3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.799 -4.179 3.417 1.00 0.00 H new ATOM 1483 N MET A 98 8.759 -6.977 3.503 1.00 0.00 N ATOM 1484 CA MET A 98 7.851 -7.259 2.385 1.00 0.00 C ATOM 1485 C MET A 98 6.582 -7.995 2.843 1.00 0.00 C ATOM 1486 O MET A 98 5.490 -7.578 2.525 1.00 0.00 O ATOM 1487 CB MET A 98 8.568 -7.972 1.214 1.00 0.00 C ATOM 1488 CG MET A 98 9.175 -9.313 1.548 1.00 0.00 C ATOM 1489 SD MET A 98 10.128 -10.046 0.206 1.00 0.00 S ATOM 1490 CE MET A 98 11.397 -8.803 -0.050 1.00 0.00 C ATOM 0 H MET A 98 9.637 -7.493 3.447 1.00 0.00 H new ATOM 0 HA MET A 98 7.521 -6.296 1.995 1.00 0.00 H new ATOM 0 HB2 MET A 98 7.854 -8.107 0.401 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.356 -7.318 0.840 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.821 -9.200 2.418 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.377 -10.000 1.830 1.00 0.00 H new ATOM 0 HE1 MET A 98 12.212 -9.230 -0.635 1.00 0.00 H new ATOM 0 HE2 MET A 98 10.972 -7.954 -0.585 1.00 0.00 H new ATOM 0 HE3 MET A 98 11.779 -8.469 0.915 1.00 0.00 H new ATOM 1500 N LEU A 99 6.720 -9.055 3.642 1.00 0.00 N ATOM 1501 CA LEU A 99 5.540 -9.760 4.191 1.00 0.00 C ATOM 1502 C LEU A 99 4.779 -8.848 5.142 1.00 0.00 C ATOM 1503 O LEU A 99 3.566 -8.976 5.335 1.00 0.00 O ATOM 1504 CB LEU A 99 5.954 -11.037 4.942 1.00 0.00 C ATOM 1505 CG LEU A 99 6.177 -12.318 4.122 1.00 0.00 C ATOM 1506 CD1 LEU A 99 7.123 -12.096 2.959 1.00 0.00 C ATOM 1507 CD2 LEU A 99 6.711 -13.414 5.029 1.00 0.00 C ATOM 0 H LEU A 99 7.618 -9.446 3.925 1.00 0.00 H new ATOM 0 HA LEU A 99 4.901 -10.037 3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 99 6.876 -10.822 5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.188 -11.248 5.689 1.00 0.00 H new ATOM 0 HG LEU A 99 5.216 -12.617 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.249 -13.029 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.711 -11.337 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.090 -11.763 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.869 -14.322 4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.656 -13.095 5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.991 -13.612 5.823 1.00 0.00 H new ATOM 1519 N ALA A 100 5.535 -7.945 5.734 1.00 0.00 N ATOM 1520 CA ALA A 100 4.983 -6.975 6.654 1.00 0.00 C ATOM 1521 C ALA A 100 3.938 -6.120 5.977 1.00 0.00 C ATOM 1522 O ALA A 100 2.943 -5.783 6.595 1.00 0.00 O ATOM 1523 CB ALA A 100 6.058 -6.119 7.297 1.00 0.00 C ATOM 0 H ALA A 100 6.542 -7.864 5.591 1.00 0.00 H new ATOM 0 HA ALA A 100 4.499 -7.533 7.456 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.596 -5.406 7.979 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.748 -6.756 7.851 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.604 -5.579 6.524 1.00 0.00 H new ATOM 1529 N LEU A 101 4.103 -5.850 4.681 1.00 0.00 N ATOM 1530 CA LEU A 101 3.198 -5.035 3.889 1.00 0.00 C ATOM 1531 C LEU A 101 1.806 -5.560 3.935 1.00 0.00 C ATOM 1532 O LEU A 101 0.853 -4.805 4.079 1.00 0.00 O ATOM 1533 CB LEU A 101 3.629 -5.028 2.455 1.00 0.00 C ATOM 1534 CG LEU A 101 5.002 -4.415 2.184 1.00 0.00 C ATOM 1535 CD1 LEU A 101 5.420 -4.663 0.759 1.00 0.00 C ATOM 1536 CD2 LEU A 101 5.006 -2.923 2.492 1.00 0.00 C ATOM 0 H LEU A 101 4.894 -6.205 4.144 1.00 0.00 H new ATOM 0 HA LEU A 101 3.225 -4.030 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.630 -6.055 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.886 -4.483 1.873 1.00 0.00 H new ATOM 0 HG LEU A 101 5.723 -4.897 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.400 -4.219 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.470 -5.736 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.693 -4.213 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.995 -2.512 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.270 -2.420 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.756 -2.767 3.541 1.00 0.00 H new ATOM 1548 N LEU A 102 1.666 -6.846 3.852 1.00 0.00 N ATOM 1549 CA LEU A 102 0.403 -7.481 3.831 1.00 0.00 C ATOM 1550 C LEU A 102 -0.328 -7.339 5.164 1.00 0.00 C ATOM 1551 O LEU A 102 -1.514 -6.997 5.187 1.00 0.00 O ATOM 1552 CB LEU A 102 0.587 -8.934 3.467 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.683 -9.744 3.447 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -1.590 -9.298 2.299 1.00 0.00 C ATOM 1555 CD2 LEU A 102 -0.375 -11.230 3.378 1.00 0.00 C ATOM 0 H LEU A 102 2.453 -7.493 3.796 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.219 -6.993 3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.054 -8.992 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.280 -9.387 4.176 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.222 -9.567 4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.502 -9.895 2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.845 -8.246 2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.070 -9.434 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -1.307 -11.795 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.191 -11.443 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.213 -11.521 4.249 1.00 0.00 H new ATOM 1567 N HIS A 103 0.359 -7.612 6.277 1.00 0.00 N ATOM 1568 CA HIS A 103 -0.317 -7.477 7.557 1.00 0.00 C ATOM 1569 C HIS A 103 -0.688 -5.997 7.759 1.00 0.00 C ATOM 1570 O HIS A 103 -1.731 -5.690 8.294 1.00 0.00 O ATOM 1571 CB HIS A 103 0.520 -8.042 8.758 1.00 0.00 C ATOM 1572 CG HIS A 103 1.431 -7.058 9.458 1.00 0.00 C ATOM 1573 ND1 HIS A 103 2.760 -6.946 9.161 1.00 0.00 N ATOM 1574 CD2 HIS A 103 1.109 -6.132 10.389 1.00 0.00 C ATOM 1575 CE1 HIS A 103 3.212 -5.940 9.898 1.00 0.00 C ATOM 1576 NE2 HIS A 103 2.245 -5.425 10.662 1.00 0.00 N ATOM 0 H HIS A 103 1.333 -7.912 6.316 1.00 0.00 H new ATOM 0 HA HIS A 103 -1.222 -8.085 7.538 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -0.171 -8.453 9.494 1.00 0.00 H new ATOM 0 HB3 HIS A 103 1.127 -8.871 8.393 1.00 0.00 H new ATOM 0 HD2 HIS A 103 0.136 -5.980 10.833 1.00 0.00 H new ATOM 0 HE1 HIS A 103 4.231 -5.583 9.882 1.00 0.00 H new ATOM 0 HE2 HIS A 103 2.337 -4.653 11.322 1.00 0.00 H new ATOM 1584 N ILE A 104 0.149 -5.120 7.216 1.00 0.00 N ATOM 1585 CA ILE A 104 -0.075 -3.669 7.412 1.00 0.00 C ATOM 1586 C ILE A 104 -1.172 -3.144 6.506 1.00 0.00 C ATOM 1587 O ILE A 104 -1.962 -2.299 6.901 1.00 0.00 O ATOM 1588 CB ILE A 104 1.233 -2.772 7.416 1.00 0.00 C ATOM 1589 CG1 ILE A 104 0.970 -1.255 7.547 1.00 0.00 C ATOM 1590 CG2 ILE A 104 2.111 -3.006 6.217 1.00 0.00 C ATOM 1591 CD1 ILE A 104 0.662 -0.563 6.216 1.00 0.00 C ATOM 0 H ILE A 104 0.965 -5.363 6.654 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.431 -3.573 8.438 1.00 0.00 H new ATOM 0 HB ILE A 104 1.751 -3.101 8.317 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.134 -1.098 8.229 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.842 -0.782 7.998 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.989 -2.363 6.278 1.00 0.00 H new ATOM 0 HG22 ILE A 104 2.426 -4.049 6.195 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.555 -2.775 5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.489 0.499 6.390 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.506 -0.687 5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.229 -1.008 5.772 1.00 0.00 H new ATOM 1603 N THR A 105 -1.285 -3.743 5.355 1.00 0.00 N ATOM 1604 CA THR A 105 -2.304 -3.310 4.426 1.00 0.00 C ATOM 1605 C THR A 105 -3.679 -3.788 4.901 1.00 0.00 C ATOM 1606 O THR A 105 -4.680 -3.119 4.743 1.00 0.00 O ATOM 1607 CB THR A 105 -1.988 -3.739 2.962 1.00 0.00 C ATOM 1608 OG1 THR A 105 -2.800 -3.008 2.037 1.00 0.00 O ATOM 1609 CG2 THR A 105 -2.225 -5.221 2.742 1.00 0.00 C ATOM 0 H THR A 105 -0.701 -4.516 5.037 1.00 0.00 H new ATOM 0 HA THR A 105 -2.316 -2.220 4.410 1.00 0.00 H new ATOM 0 HB THR A 105 -0.933 -3.522 2.793 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.975 -2.112 2.393 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.993 -5.477 1.708 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.584 -5.795 3.411 1.00 0.00 H new ATOM 0 HG23 THR A 105 -3.269 -5.457 2.948 1.00 0.00 H new ATOM 1617 N ARG A 106 -3.704 -4.918 5.557 1.00 0.00 N ATOM 1618 CA ARG A 106 -4.985 -5.358 6.058 1.00 0.00 C ATOM 1619 C ARG A 106 -5.265 -4.759 7.434 1.00 0.00 C ATOM 1620 O ARG A 106 -6.386 -4.495 7.767 1.00 0.00 O ATOM 1621 CB ARG A 106 -5.191 -6.881 5.995 1.00 0.00 C ATOM 1622 CG ARG A 106 -4.184 -7.697 6.768 1.00 0.00 C ATOM 1623 CD ARG A 106 -4.440 -9.207 6.638 1.00 0.00 C ATOM 1624 NE ARG A 106 -4.499 -9.670 5.230 1.00 0.00 N ATOM 1625 CZ ARG A 106 -3.904 -10.778 4.729 1.00 0.00 C ATOM 1626 NH1 ARG A 106 -3.114 -11.530 5.481 1.00 0.00 N ATOM 1627 NH2 ARG A 106 -4.119 -11.123 3.468 1.00 0.00 N ATOM 0 H ARG A 106 -2.905 -5.522 5.751 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.741 -4.969 5.376 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.188 -7.113 6.370 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -5.163 -7.193 4.951 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.181 -7.468 6.409 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.219 -7.413 7.820 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -3.651 -9.749 7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -5.378 -9.454 7.135 1.00 0.00 H new ATOM 0 HE ARG A 106 -5.038 -9.100 4.578 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.946 -11.278 6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.674 -12.361 5.086 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.730 -10.555 2.881 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.674 -11.957 3.084 1.00 0.00 H new ATOM 1641 N ASP A 107 -4.231 -4.535 8.217 1.00 0.00 N ATOM 1642 CA ASP A 107 -4.372 -3.901 9.535 1.00 0.00 C ATOM 1643 C ASP A 107 -4.858 -2.459 9.396 1.00 0.00 C ATOM 1644 O ASP A 107 -5.938 -2.089 9.873 1.00 0.00 O ATOM 1645 CB ASP A 107 -3.017 -3.914 10.251 1.00 0.00 C ATOM 1646 CG ASP A 107 -3.078 -3.467 11.687 1.00 0.00 C ATOM 1647 OD1 ASP A 107 -3.353 -4.323 12.560 1.00 0.00 O ATOM 1648 OD2 ASP A 107 -2.820 -2.287 11.972 1.00 0.00 O ATOM 0 H ASP A 107 -3.272 -4.780 7.972 1.00 0.00 H new ATOM 0 HA ASP A 107 -5.107 -4.460 10.113 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.607 -4.923 10.213 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.325 -3.268 9.710 1.00 0.00 H new ATOM 1653 N ALA A 108 -4.079 -1.676 8.669 1.00 0.00 N ATOM 1654 CA ALA A 108 -4.341 -0.262 8.504 1.00 0.00 C ATOM 1655 C ALA A 108 -5.655 -0.023 7.779 1.00 0.00 C ATOM 1656 O ALA A 108 -6.526 0.630 8.296 1.00 0.00 O ATOM 1657 CB ALA A 108 -3.191 0.389 7.756 1.00 0.00 C ATOM 0 H ALA A 108 -3.248 -2.006 8.178 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.426 0.190 9.492 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -3.392 1.453 7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.268 0.257 8.321 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.086 -0.075 6.775 1.00 0.00 H new ATOM 1663 N TYR A 109 -5.853 -0.711 6.686 1.00 0.00 N ATOM 1664 CA TYR A 109 -7.018 -0.406 5.833 1.00 0.00 C ATOM 1665 C TYR A 109 -8.333 -0.771 6.527 1.00 0.00 C ATOM 1666 O TYR A 109 -9.382 -0.167 6.312 1.00 0.00 O ATOM 1667 CB TYR A 109 -6.862 -1.035 4.437 1.00 0.00 C ATOM 1668 CG TYR A 109 -5.749 -0.397 3.585 1.00 0.00 C ATOM 1669 CD1 TYR A 109 -4.462 -0.234 4.084 1.00 0.00 C ATOM 1670 CD2 TYR A 109 -5.985 0.022 2.282 1.00 0.00 C ATOM 1671 CE1 TYR A 109 -3.458 0.324 3.335 1.00 0.00 C ATOM 1672 CE2 TYR A 109 -4.980 0.585 1.517 1.00 0.00 C ATOM 1673 CZ TYR A 109 -3.717 0.734 2.051 1.00 0.00 C ATOM 1674 OH TYR A 109 -2.711 1.303 1.298 1.00 0.00 O ATOM 0 H TYR A 109 -5.255 -1.468 6.355 1.00 0.00 H new ATOM 0 HA TYR A 109 -7.058 0.672 5.676 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.654 -2.099 4.550 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.809 -0.950 3.903 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -4.246 -0.557 5.092 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -6.972 -0.094 1.858 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -2.469 0.440 3.753 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -5.183 0.907 0.506 1.00 0.00 H new ATOM 0 HH TYR A 109 -3.058 1.537 0.412 1.00 0.00 H new ATOM 1684 N ARG A 110 -8.203 -1.709 7.422 1.00 0.00 N ATOM 1685 CA ARG A 110 -9.398 -2.060 8.183 1.00 0.00 C ATOM 1686 C ARG A 110 -9.773 -0.998 9.225 1.00 0.00 C ATOM 1687 O ARG A 110 -10.849 -1.046 9.802 1.00 0.00 O ATOM 1688 CB ARG A 110 -9.332 -3.435 8.797 1.00 0.00 C ATOM 1689 CG ARG A 110 -9.240 -4.524 7.766 1.00 0.00 C ATOM 1690 CD ARG A 110 -10.356 -4.445 6.742 1.00 0.00 C ATOM 1691 NE ARG A 110 -10.515 -5.695 5.999 1.00 0.00 N ATOM 1692 CZ ARG A 110 -10.397 -5.877 4.678 1.00 0.00 C ATOM 1693 NH1 ARG A 110 -10.297 -4.848 3.849 1.00 0.00 N ATOM 1694 NH2 ARG A 110 -10.466 -7.111 4.186 1.00 0.00 N ATOM 0 H ARG A 110 -7.350 -2.222 7.644 1.00 0.00 H new ATOM 0 HA ARG A 110 -10.202 -2.087 7.448 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -8.468 -3.492 9.459 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -10.217 -3.597 9.413 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -8.278 -4.459 7.257 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -9.273 -5.494 8.262 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -11.292 -4.202 7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -10.149 -3.634 6.044 1.00 0.00 H new ATOM 0 HE ARG A 110 -10.742 -6.523 6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -10.309 -3.896 4.214 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -10.208 -5.008 2.846 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.607 -7.903 4.813 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.378 -7.265 3.182 1.00 0.00 H new ATOM 1708 N SER A 111 -8.895 -0.042 9.462 1.00 0.00 N ATOM 1709 CA SER A 111 -9.174 1.005 10.423 1.00 0.00 C ATOM 1710 C SER A 111 -9.754 2.312 9.801 1.00 0.00 C ATOM 1711 O SER A 111 -10.384 3.092 10.517 1.00 0.00 O ATOM 1712 CB SER A 111 -7.908 1.291 11.249 1.00 0.00 C ATOM 1713 OG SER A 111 -8.180 2.115 12.376 1.00 0.00 O ATOM 0 H SER A 111 -7.987 0.030 9.004 1.00 0.00 H new ATOM 0 HA SER A 111 -9.968 0.634 11.071 1.00 0.00 H new ATOM 0 HB2 SER A 111 -7.474 0.349 11.585 1.00 0.00 H new ATOM 0 HB3 SER A 111 -7.165 1.776 10.616 1.00 0.00 H new ATOM 0 HG SER A 111 -7.664 2.945 12.306 1.00 0.00 H new ATOM 1719 N TRP A 112 -9.575 2.566 8.488 1.00 0.00 N ATOM 1720 CA TRP A 112 -10.023 3.851 7.895 1.00 0.00 C ATOM 1721 C TRP A 112 -10.399 3.712 6.427 1.00 0.00 C ATOM 1722 O TRP A 112 -10.769 4.692 5.777 1.00 0.00 O ATOM 1723 CB TRP A 112 -8.904 4.924 8.031 1.00 0.00 C ATOM 1724 CG TRP A 112 -7.561 4.315 8.333 1.00 0.00 C ATOM 1725 CD1 TRP A 112 -6.830 3.503 7.515 1.00 0.00 C ATOM 1726 CD2 TRP A 112 -6.811 4.437 9.546 1.00 0.00 C ATOM 1727 NE1 TRP A 112 -5.696 3.105 8.145 1.00 0.00 N ATOM 1728 CE2 TRP A 112 -5.653 3.656 9.393 1.00 0.00 C ATOM 1729 CE3 TRP A 112 -7.008 5.119 10.750 1.00 0.00 C ATOM 1730 CZ2 TRP A 112 -4.698 3.529 10.392 1.00 0.00 C ATOM 1731 CZ3 TRP A 112 -6.055 4.997 11.742 1.00 0.00 C ATOM 1732 CH2 TRP A 112 -4.913 4.208 11.557 1.00 0.00 C ATOM 0 H TRP A 112 -9.136 1.921 7.831 1.00 0.00 H new ATOM 0 HA TRP A 112 -10.913 4.159 8.444 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -8.840 5.498 7.107 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -9.169 5.624 8.823 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -7.113 3.219 6.512 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -4.986 2.490 7.748 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.887 5.728 10.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -3.819 2.917 10.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -6.193 5.519 12.677 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -4.187 4.135 12.353 1.00 0.00 H new ATOM 1743 N THR A 113 -10.397 2.499 5.932 1.00 0.00 N ATOM 1744 CA THR A 113 -10.536 2.279 4.513 1.00 0.00 C ATOM 1745 C THR A 113 -11.736 1.374 4.216 1.00 0.00 C ATOM 1746 O THR A 113 -12.762 1.843 3.707 1.00 0.00 O ATOM 1747 CB THR A 113 -9.229 1.661 3.962 1.00 0.00 C ATOM 1748 OG1 THR A 113 -8.089 2.442 4.371 1.00 0.00 O ATOM 1749 CG2 THR A 113 -9.238 1.575 2.459 1.00 0.00 C ATOM 0 H THR A 113 -10.301 1.650 6.489 1.00 0.00 H new ATOM 0 HA THR A 113 -10.716 3.234 4.019 1.00 0.00 H new ATOM 0 HB THR A 113 -9.161 0.653 4.371 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.378 3.353 4.588 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.302 1.135 2.114 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.072 0.953 2.135 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.346 2.575 2.038 1.00 0.00 H new ATOM 1757 N ASN A 114 -11.596 0.098 4.542 1.00 0.00 N ATOM 1758 CA ASN A 114 -12.590 -0.955 4.340 1.00 0.00 C ATOM 1759 C ASN A 114 -11.908 -2.226 4.646 1.00 0.00 C ATOM 1760 O ASN A 114 -12.534 -3.087 5.275 1.00 0.00 O ATOM 1761 CB ASN A 114 -13.207 -1.017 2.924 1.00 0.00 C ATOM 1762 CG ASN A 114 -12.198 -1.248 1.819 1.00 0.00 C ATOM 1763 OD1 ASN A 114 -11.888 -2.380 1.448 1.00 0.00 O ATOM 1764 ND2 ASN A 114 -11.694 -0.169 1.262 1.00 0.00 N ATOM 1765 OXT ASN A 114 -10.689 -2.315 4.380 1.00 0.00 O ATOM 0 H ASN A 114 -10.743 -0.253 4.977 1.00 0.00 H new ATOM 0 HA ASN A 114 -13.439 -0.747 4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -13.948 -1.816 2.897 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -13.736 -0.084 2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -11.024 -0.255 0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -11.973 0.754 1.594 1.00 0.00 H new