USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 367 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 Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 27 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.34) USER MOD Single : A 32 THR OG1 : rot -59:sc= 0.989 USER MOD Single : A 35 GLN : amide:sc= 0.568 K(o=0.57,f=-3) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -2.05 K(o=-2,f=-3.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 84:sc= 0.395 USER MOD Single : A 48 ASN : amide:sc= -0.075 K(o=-0.075,f=-2!) USER MOD Single : A 52 THR OG1 : rot 96:sc= 0.173 USER MOD Single : A 53 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.14) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -1:sc= 0.775 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 109 SER OG : rot 86:sc= 0.952 USER MOD ----------------------------------------------------------------- ATOM 18 N MET A 23 0.430 -2.466 -2.062 1.00 0.00 N ATOM 19 CA MET A 23 -0.265 -3.349 -3.031 1.00 0.00 C ATOM 20 C MET A 23 -1.093 -2.572 -4.072 1.00 0.00 C ATOM 21 O MET A 23 -1.206 -3.016 -5.201 1.00 0.00 O ATOM 22 CB MET A 23 -1.186 -4.360 -2.287 1.00 0.00 C ATOM 23 CG MET A 23 -2.349 -3.717 -1.515 1.00 0.00 C ATOM 24 SD MET A 23 -3.472 -4.917 -0.776 1.00 0.00 S ATOM 25 CE MET A 23 -4.690 -3.848 -0.007 1.00 0.00 C ATOM 0 HA MET A 23 0.518 -3.882 -3.570 1.00 0.00 H new ATOM 0 HB2 MET A 23 -1.594 -5.063 -3.014 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.580 -4.938 -1.590 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.944 -3.078 -0.730 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.912 -3.073 -2.191 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.447 -4.456 0.488 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.201 -3.208 0.728 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.164 -3.229 -0.769 1.00 0.00 H new ATOM 35 N LEU A 24 -1.659 -1.413 -3.671 1.00 0.00 N ATOM 36 CA LEU A 24 -2.506 -0.581 -4.553 1.00 0.00 C ATOM 37 C LEU A 24 -1.714 -0.095 -5.786 1.00 0.00 C ATOM 38 O LEU A 24 -2.173 -0.237 -6.943 1.00 0.00 O ATOM 39 CB LEU A 24 -3.137 0.627 -3.764 1.00 0.00 C ATOM 40 CG LEU A 24 -2.196 1.834 -3.336 1.00 0.00 C ATOM 41 CD1 LEU A 24 -3.009 3.045 -2.823 1.00 0.00 C ATOM 42 CD2 LEU A 24 -1.126 1.417 -2.300 1.00 0.00 C ATOM 0 H LEU A 24 -1.543 -1.030 -2.733 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.326 -1.203 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.942 1.036 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.595 0.228 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.670 2.138 -4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.328 3.848 -2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.676 3.395 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.597 2.747 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.512 2.280 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.616 1.041 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.495 0.635 -2.723 1.00 0.00 H new ATOM 54 N LEU A 25 -0.487 0.406 -5.529 1.00 0.00 N ATOM 55 CA LEU A 25 0.385 0.960 -6.561 1.00 0.00 C ATOM 56 C LEU A 25 0.976 -0.167 -7.397 1.00 0.00 C ATOM 57 O LEU A 25 1.019 -0.062 -8.605 1.00 0.00 O ATOM 58 CB LEU A 25 1.536 1.816 -5.959 1.00 0.00 C ATOM 59 CG LEU A 25 1.119 3.062 -5.111 1.00 0.00 C ATOM 60 CD1 LEU A 25 2.344 3.929 -4.743 1.00 0.00 C ATOM 61 CD2 LEU A 25 0.036 3.902 -5.823 1.00 0.00 C ATOM 0 H LEU A 25 -0.081 0.433 -4.594 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.224 1.613 -7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.149 1.168 -5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.169 2.159 -6.778 1.00 0.00 H new ATOM 0 HG LEU A 25 0.685 2.688 -4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.019 4.787 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.049 3.335 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.830 4.278 -5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.227 4.758 -5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.419 4.253 -6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.850 3.289 -5.989 1.00 0.00 H new ATOM 73 N ASN A 26 1.401 -1.247 -6.720 1.00 0.00 N ATOM 74 CA ASN A 26 2.039 -2.414 -7.363 1.00 0.00 C ATOM 75 C ASN A 26 1.069 -3.114 -8.342 1.00 0.00 C ATOM 76 O ASN A 26 1.461 -3.470 -9.467 1.00 0.00 O ATOM 77 CB ASN A 26 2.540 -3.417 -6.292 1.00 0.00 C ATOM 78 CG ASN A 26 3.567 -2.820 -5.320 1.00 0.00 C ATOM 79 OD1 ASN A 26 4.299 -1.887 -5.653 1.00 0.00 O ATOM 80 ND2 ASN A 26 3.631 -3.367 -4.112 1.00 0.00 N ATOM 0 H ASN A 26 1.313 -1.338 -5.708 1.00 0.00 H new ATOM 0 HA ASN A 26 2.894 -2.054 -7.935 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.686 -3.785 -5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.984 -4.278 -6.792 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.301 -3.016 -3.428 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.010 -4.139 -3.868 1.00 0.00 H new ATOM 87 N GLN A 27 -0.207 -3.262 -7.909 1.00 0.00 N ATOM 88 CA GLN A 27 -1.270 -3.876 -8.725 1.00 0.00 C ATOM 89 C GLN A 27 -1.525 -3.037 -9.977 1.00 0.00 C ATOM 90 O GLN A 27 -1.355 -3.560 -11.089 1.00 0.00 O ATOM 91 CB GLN A 27 -2.594 -4.072 -7.925 1.00 0.00 C ATOM 92 CG GLN A 27 -2.601 -5.304 -6.993 1.00 0.00 C ATOM 93 CD GLN A 27 -2.464 -6.631 -7.747 1.00 0.00 C ATOM 94 OE1 GLN A 27 -1.360 -7.141 -7.947 1.00 0.00 O ATOM 95 NE2 GLN A 27 -3.586 -7.199 -8.164 1.00 0.00 N ATOM 0 H GLN A 27 -0.522 -2.959 -6.987 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.922 -4.867 -9.017 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.779 -3.179 -7.328 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.420 -4.161 -8.630 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.784 -5.214 -6.277 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.528 -5.313 -6.420 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.483 -6.750 -7.982 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.552 -8.086 -8.667 1.00 0.00 H new ATOM 104 N LEU A 28 -1.884 -1.724 -9.793 1.00 0.00 N ATOM 105 CA LEU A 28 -2.082 -0.808 -10.941 1.00 0.00 C ATOM 106 C LEU A 28 -0.871 -0.834 -11.897 1.00 0.00 C ATOM 107 O LEU A 28 -1.028 -1.140 -13.061 1.00 0.00 O ATOM 108 CB LEU A 28 -2.337 0.658 -10.486 1.00 0.00 C ATOM 109 CG LEU A 28 -3.741 0.999 -9.933 1.00 0.00 C ATOM 110 CD1 LEU A 28 -3.889 2.518 -9.755 1.00 0.00 C ATOM 111 CD2 LEU A 28 -4.868 0.441 -10.819 1.00 0.00 C ATOM 0 H LEU A 28 -2.036 -1.296 -8.880 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.967 -1.168 -11.466 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.604 0.904 -9.718 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.142 1.313 -11.335 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.835 0.517 -8.960 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.882 2.744 -9.365 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.134 2.878 -9.056 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.756 3.012 -10.718 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.834 0.706 -10.389 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.787 0.865 -11.820 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.782 -0.644 -10.876 1.00 0.00 H new ATOM 123 N ARG A 29 0.325 -0.612 -11.338 1.00 0.00 N ATOM 124 CA ARG A 29 1.598 -0.499 -12.091 1.00 0.00 C ATOM 125 C ARG A 29 1.834 -1.702 -13.012 1.00 0.00 C ATOM 126 O ARG A 29 2.309 -1.550 -14.142 1.00 0.00 O ATOM 127 CB ARG A 29 2.761 -0.391 -11.080 1.00 0.00 C ATOM 128 CG ARG A 29 4.174 -0.192 -11.661 1.00 0.00 C ATOM 129 CD ARG A 29 5.231 -0.140 -10.553 1.00 0.00 C ATOM 130 NE ARG A 29 6.562 0.226 -11.059 1.00 0.00 N ATOM 131 CZ ARG A 29 7.418 1.053 -10.444 1.00 0.00 C ATOM 132 NH1 ARG A 29 7.094 1.665 -9.313 1.00 0.00 N ATOM 133 NH2 ARG A 29 8.599 1.284 -10.978 1.00 0.00 N ATOM 0 H ARG A 29 0.446 -0.503 -10.331 1.00 0.00 H new ATOM 0 HA ARG A 29 1.543 0.389 -12.721 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.550 0.441 -10.408 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.768 -1.297 -10.473 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.405 -1.006 -12.348 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.205 0.732 -12.239 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.923 0.581 -9.796 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.287 -1.112 -10.063 1.00 0.00 H new ATOM 0 HE ARG A 29 6.856 -0.181 -11.947 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.177 1.510 -8.894 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.762 2.290 -8.862 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.859 0.834 -11.856 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.254 1.913 -10.514 1.00 0.00 H new ATOM 147 N GLU A 30 1.471 -2.899 -12.520 1.00 0.00 N ATOM 148 CA GLU A 30 1.581 -4.141 -13.275 1.00 0.00 C ATOM 149 C GLU A 30 0.557 -4.172 -14.438 1.00 0.00 C ATOM 150 O GLU A 30 0.928 -4.370 -15.599 1.00 0.00 O ATOM 151 CB GLU A 30 1.397 -5.361 -12.325 1.00 0.00 C ATOM 152 CG GLU A 30 1.768 -6.725 -12.942 1.00 0.00 C ATOM 153 CD GLU A 30 3.239 -6.779 -13.403 1.00 0.00 C ATOM 154 OE1 GLU A 30 4.134 -6.984 -12.550 1.00 0.00 O ATOM 155 OE2 GLU A 30 3.513 -6.595 -14.612 1.00 0.00 O ATOM 0 H GLU A 30 1.092 -3.024 -11.581 1.00 0.00 H new ATOM 0 HA GLU A 30 2.577 -4.198 -13.715 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.005 -5.204 -11.434 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.357 -5.396 -12.000 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.590 -7.513 -12.210 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.116 -6.926 -13.792 1.00 0.00 H new ATOM 162 N ILE A 31 -0.724 -3.912 -14.119 1.00 0.00 N ATOM 163 CA ILE A 31 -1.848 -4.069 -15.084 1.00 0.00 C ATOM 164 C ILE A 31 -2.167 -2.774 -15.882 1.00 0.00 C ATOM 165 O ILE A 31 -3.118 -2.747 -16.675 1.00 0.00 O ATOM 166 CB ILE A 31 -3.135 -4.636 -14.361 1.00 0.00 C ATOM 167 CG1 ILE A 31 -3.610 -3.686 -13.209 1.00 0.00 C ATOM 168 CG2 ILE A 31 -2.875 -6.083 -13.856 1.00 0.00 C ATOM 169 CD1 ILE A 31 -4.600 -4.294 -12.218 1.00 0.00 C ATOM 0 H ILE A 31 -1.016 -3.590 -13.196 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.516 -4.796 -15.825 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.949 -4.677 -15.085 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.733 -3.347 -12.657 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.067 -2.803 -13.656 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.769 -6.461 -13.360 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.630 -6.725 -14.702 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.044 -6.078 -13.151 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.862 -3.552 -11.464 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.500 -4.606 -12.748 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.146 -5.159 -11.734 1.00 0.00 H new ATOM 181 N THR A 32 -1.365 -1.704 -15.687 1.00 0.00 N ATOM 182 CA THR A 32 -1.489 -0.436 -16.455 1.00 0.00 C ATOM 183 C THR A 32 -0.167 -0.115 -17.175 1.00 0.00 C ATOM 184 O THR A 32 -0.162 0.376 -18.312 1.00 0.00 O ATOM 185 CB THR A 32 -1.906 0.781 -15.549 1.00 0.00 C ATOM 186 OG1 THR A 32 -0.859 1.095 -14.612 1.00 0.00 O ATOM 187 CG2 THR A 32 -3.234 0.495 -14.797 1.00 0.00 C ATOM 0 H THR A 32 -0.615 -1.690 -14.996 1.00 0.00 H new ATOM 0 HA THR A 32 -2.283 -0.588 -17.187 1.00 0.00 H new ATOM 0 HB THR A 32 -2.065 1.641 -16.199 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.681 0.315 -14.046 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.495 1.355 -14.180 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.029 0.312 -15.520 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.111 -0.383 -14.163 1.00 0.00 H new ATOM 195 N GLY A 33 0.953 -0.393 -16.483 1.00 0.00 N ATOM 196 CA GLY A 33 2.303 -0.176 -17.037 1.00 0.00 C ATOM 197 C GLY A 33 2.899 1.163 -16.614 1.00 0.00 C ATOM 198 O GLY A 33 4.040 1.482 -16.972 1.00 0.00 O ATOM 0 H GLY A 33 0.950 -0.770 -15.535 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.960 -0.982 -16.711 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.258 -0.223 -18.125 1.00 0.00 H new ATOM 202 N ILE A 34 2.116 1.945 -15.849 1.00 0.00 N ATOM 203 CA ILE A 34 2.507 3.276 -15.377 1.00 0.00 C ATOM 204 C ILE A 34 3.435 3.148 -14.161 1.00 0.00 C ATOM 205 O ILE A 34 3.034 2.613 -13.124 1.00 0.00 O ATOM 206 CB ILE A 34 1.230 4.119 -15.018 1.00 0.00 C ATOM 207 CG1 ILE A 34 0.323 4.281 -16.276 1.00 0.00 C ATOM 208 CG2 ILE A 34 1.599 5.492 -14.399 1.00 0.00 C ATOM 209 CD1 ILE A 34 -1.009 4.944 -16.006 1.00 0.00 C ATOM 0 H ILE A 34 1.185 1.663 -15.541 1.00 0.00 H new ATOM 0 HA ILE A 34 3.046 3.793 -16.170 1.00 0.00 H new ATOM 0 HB ILE A 34 0.669 3.577 -14.257 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.860 4.865 -17.023 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.144 3.297 -16.709 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.688 6.043 -14.166 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.173 5.337 -13.486 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.196 6.063 -15.110 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.575 5.016 -16.935 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.571 4.351 -15.284 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.843 5.943 -15.604 1.00 0.00 H new ATOM 221 N GLN A 35 4.677 3.632 -14.318 1.00 0.00 N ATOM 222 CA GLN A 35 5.686 3.620 -13.245 1.00 0.00 C ATOM 223 C GLN A 35 5.481 4.810 -12.293 1.00 0.00 C ATOM 224 O GLN A 35 5.991 4.795 -11.175 1.00 0.00 O ATOM 225 CB GLN A 35 7.119 3.644 -13.843 1.00 0.00 C ATOM 226 CG GLN A 35 7.408 2.524 -14.868 1.00 0.00 C ATOM 227 CD GLN A 35 7.069 1.115 -14.365 1.00 0.00 C ATOM 228 OE1 GLN A 35 7.891 0.448 -13.733 1.00 0.00 O ATOM 229 NE2 GLN A 35 5.857 0.645 -14.643 1.00 0.00 N ATOM 0 H GLN A 35 5.011 4.042 -15.190 1.00 0.00 H new ATOM 0 HA GLN A 35 5.565 2.699 -12.674 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.282 4.609 -14.323 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.840 3.568 -13.029 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.839 2.721 -15.776 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.463 2.558 -15.140 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.196 1.218 -15.168 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.588 -0.288 -14.332 1.00 0.00 H new ATOM 238 N ASP A 36 4.736 5.836 -12.768 1.00 0.00 N ATOM 239 CA ASP A 36 4.442 7.069 -12.003 1.00 0.00 C ATOM 240 C ASP A 36 3.498 6.739 -10.822 1.00 0.00 C ATOM 241 O ASP A 36 2.295 6.570 -11.052 1.00 0.00 O ATOM 242 CB ASP A 36 3.763 8.132 -12.915 1.00 0.00 C ATOM 243 CG ASP A 36 4.537 8.401 -14.205 1.00 0.00 C ATOM 244 OD1 ASP A 36 4.335 7.655 -15.194 1.00 0.00 O ATOM 245 OD2 ASP A 36 5.365 9.342 -14.239 1.00 0.00 O ATOM 0 H ASP A 36 4.320 5.830 -13.699 1.00 0.00 H new ATOM 0 HA ASP A 36 5.382 7.472 -11.626 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.757 7.797 -13.166 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.659 9.064 -12.360 1.00 0.00 H new ATOM 250 N PRO A 37 4.005 6.689 -9.543 1.00 0.00 N ATOM 251 CA PRO A 37 3.194 6.258 -8.376 1.00 0.00 C ATOM 252 C PRO A 37 2.090 7.280 -8.037 1.00 0.00 C ATOM 253 O PRO A 37 1.053 6.921 -7.482 1.00 0.00 O ATOM 254 CB PRO A 37 4.241 6.129 -7.239 1.00 0.00 C ATOM 255 CG PRO A 37 5.313 7.106 -7.611 1.00 0.00 C ATOM 256 CD PRO A 37 5.387 7.081 -9.131 1.00 0.00 C ATOM 0 HA PRO A 37 2.654 5.328 -8.555 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.806 6.367 -6.268 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.633 5.114 -7.173 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.074 8.106 -7.247 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.269 6.825 -7.168 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.665 8.054 -9.535 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.129 6.365 -9.485 1.00 0.00 H new ATOM 264 N SER A 38 2.334 8.550 -8.425 1.00 0.00 N ATOM 265 CA SER A 38 1.384 9.657 -8.251 1.00 0.00 C ATOM 266 C SER A 38 0.134 9.449 -9.129 1.00 0.00 C ATOM 267 O SER A 38 -0.980 9.640 -8.656 1.00 0.00 O ATOM 268 CB SER A 38 2.073 10.994 -8.595 1.00 0.00 C ATOM 269 OG SER A 38 3.226 11.195 -7.797 1.00 0.00 O ATOM 0 H SER A 38 3.206 8.833 -8.872 1.00 0.00 H new ATOM 0 HA SER A 38 1.061 9.682 -7.210 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.351 11.003 -9.649 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.374 11.816 -8.443 1.00 0.00 H new ATOM 0 HG SER A 38 3.645 12.048 -8.036 1.00 0.00 H new ATOM 275 N PHE A 39 0.349 9.009 -10.394 1.00 0.00 N ATOM 276 CA PHE A 39 -0.736 8.760 -11.381 1.00 0.00 C ATOM 277 C PHE A 39 -1.612 7.582 -10.909 1.00 0.00 C ATOM 278 O PHE A 39 -2.853 7.608 -11.011 1.00 0.00 O ATOM 279 CB PHE A 39 -0.120 8.505 -12.802 1.00 0.00 C ATOM 280 CG PHE A 39 -0.919 9.136 -13.954 1.00 0.00 C ATOM 281 CD1 PHE A 39 -0.905 10.524 -14.156 1.00 0.00 C ATOM 282 CD2 PHE A 39 -1.654 8.361 -14.845 1.00 0.00 C ATOM 283 CE1 PHE A 39 -1.628 11.100 -15.189 1.00 0.00 C ATOM 284 CE2 PHE A 39 -2.374 8.939 -15.877 1.00 0.00 C ATOM 285 CZ PHE A 39 -2.348 10.308 -16.060 1.00 0.00 C ATOM 0 H PHE A 39 1.281 8.816 -10.761 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.377 9.639 -11.455 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.897 8.897 -12.821 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.050 7.430 -12.968 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.323 11.152 -13.498 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.663 7.287 -14.730 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.628 12.173 -15.313 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.957 8.318 -16.541 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.888 10.756 -16.881 1.00 0.00 H new ATOM 295 N LEU A 40 -0.925 6.573 -10.333 1.00 0.00 N ATOM 296 CA LEU A 40 -1.556 5.394 -9.729 1.00 0.00 C ATOM 297 C LEU A 40 -2.408 5.801 -8.499 1.00 0.00 C ATOM 298 O LEU A 40 -3.527 5.303 -8.317 1.00 0.00 O ATOM 299 CB LEU A 40 -0.463 4.367 -9.320 1.00 0.00 C ATOM 300 CG LEU A 40 0.567 3.955 -10.421 1.00 0.00 C ATOM 301 CD1 LEU A 40 1.617 2.967 -9.877 1.00 0.00 C ATOM 302 CD2 LEU A 40 -0.135 3.407 -11.678 1.00 0.00 C ATOM 0 H LEU A 40 0.093 6.560 -10.277 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.219 4.934 -10.461 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.090 4.778 -8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.961 3.464 -8.966 1.00 0.00 H new ATOM 0 HG LEU A 40 1.100 4.858 -10.718 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.315 2.704 -10.672 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.161 3.431 -9.054 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.118 2.066 -9.520 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.613 3.131 -12.421 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.724 2.529 -11.412 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.792 4.173 -12.091 1.00 0.00 H new ATOM 314 N HIS A 41 -1.871 6.731 -7.674 1.00 0.00 N ATOM 315 CA HIS A 41 -2.593 7.277 -6.506 1.00 0.00 C ATOM 316 C HIS A 41 -3.863 8.021 -6.947 1.00 0.00 C ATOM 317 O HIS A 41 -4.917 7.817 -6.357 1.00 0.00 O ATOM 318 CB HIS A 41 -1.696 8.222 -5.649 1.00 0.00 C ATOM 319 CG HIS A 41 -0.751 7.522 -4.699 1.00 0.00 C ATOM 320 ND1 HIS A 41 -1.188 6.627 -3.750 1.00 0.00 N ATOM 321 CD2 HIS A 41 0.593 7.600 -4.539 1.00 0.00 C ATOM 322 CE1 HIS A 41 -0.161 6.202 -3.036 1.00 0.00 C ATOM 323 NE2 HIS A 41 0.928 6.770 -3.500 1.00 0.00 N ATOM 0 H HIS A 41 -0.936 7.119 -7.799 1.00 0.00 H new ATOM 0 HA HIS A 41 -2.873 6.427 -5.883 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -1.111 8.850 -6.321 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -2.341 8.885 -5.072 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.273 8.204 -5.121 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -0.209 5.506 -2.211 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.872 6.618 -3.145 1.00 0.00 H new ATOM 332 N GLU A 42 -3.747 8.856 -8.004 1.00 0.00 N ATOM 333 CA GLU A 42 -4.871 9.673 -8.515 1.00 0.00 C ATOM 334 C GLU A 42 -6.028 8.793 -8.989 1.00 0.00 C ATOM 335 O GLU A 42 -7.190 9.140 -8.785 1.00 0.00 O ATOM 336 CB GLU A 42 -4.421 10.590 -9.677 1.00 0.00 C ATOM 337 CG GLU A 42 -3.377 11.640 -9.285 1.00 0.00 C ATOM 338 CD GLU A 42 -3.031 12.607 -10.427 1.00 0.00 C ATOM 339 OE1 GLU A 42 -2.480 12.152 -11.450 1.00 0.00 O ATOM 340 OE2 GLU A 42 -3.325 13.819 -10.311 1.00 0.00 O ATOM 0 H GLU A 42 -2.878 8.982 -8.524 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.211 10.293 -7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.014 9.971 -10.476 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.296 11.098 -10.082 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.748 12.211 -8.434 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.468 11.135 -8.958 1.00 0.00 H new ATOM 347 N ALA A 43 -5.688 7.656 -9.613 1.00 0.00 N ATOM 348 CA ALA A 43 -6.683 6.692 -10.112 1.00 0.00 C ATOM 349 C ALA A 43 -7.400 5.988 -8.948 1.00 0.00 C ATOM 350 O ALA A 43 -8.632 5.889 -8.929 1.00 0.00 O ATOM 351 CB ALA A 43 -6.001 5.663 -11.010 1.00 0.00 C ATOM 0 H ALA A 43 -4.722 7.379 -9.786 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.430 7.236 -10.690 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.742 4.952 -11.376 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.535 6.170 -11.855 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.239 5.131 -10.440 1.00 0.00 H new ATOM 357 N LEU A 44 -6.584 5.502 -7.986 1.00 0.00 N ATOM 358 CA LEU A 44 -7.052 4.801 -6.766 1.00 0.00 C ATOM 359 C LEU A 44 -8.024 5.703 -5.966 1.00 0.00 C ATOM 360 O LEU A 44 -9.064 5.249 -5.505 1.00 0.00 O ATOM 361 CB LEU A 44 -5.808 4.348 -5.897 1.00 0.00 C ATOM 362 CG LEU A 44 -5.672 2.806 -5.586 1.00 0.00 C ATOM 363 CD1 LEU A 44 -6.712 2.315 -4.561 1.00 0.00 C ATOM 364 CD2 LEU A 44 -5.731 1.955 -6.863 1.00 0.00 C ATOM 0 H LEU A 44 -5.569 5.586 -8.034 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.604 3.905 -7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.902 4.671 -6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.846 4.883 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.686 2.678 -5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.573 1.248 -4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.584 2.858 -3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.716 2.491 -4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.634 0.901 -6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.685 2.118 -7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.917 2.241 -7.529 1.00 0.00 H new ATOM 376 N LYS A 45 -7.680 6.997 -5.896 1.00 0.00 N ATOM 377 CA LYS A 45 -8.456 8.026 -5.177 1.00 0.00 C ATOM 378 C LYS A 45 -9.718 8.433 -5.954 1.00 0.00 C ATOM 379 O LYS A 45 -10.770 8.664 -5.348 1.00 0.00 O ATOM 380 CB LYS A 45 -7.558 9.259 -4.919 1.00 0.00 C ATOM 381 CG LYS A 45 -6.479 9.049 -3.828 1.00 0.00 C ATOM 382 CD LYS A 45 -5.321 10.077 -3.906 1.00 0.00 C ATOM 383 CE LYS A 45 -5.803 11.530 -4.028 1.00 0.00 C ATOM 384 NZ LYS A 45 -6.649 11.955 -2.885 1.00 0.00 N ATOM 0 H LYS A 45 -6.842 7.367 -6.344 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.784 7.606 -4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.065 9.536 -5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.190 10.099 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.948 9.114 -2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.070 8.043 -3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.700 9.982 -3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.690 9.838 -4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.938 12.190 -4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.367 11.644 -4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.945 12.943 -3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.490 11.346 -2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.105 11.875 -2.002 1.00 0.00 H new ATOM 398 N ALA A 46 -9.612 8.494 -7.296 1.00 0.00 N ATOM 399 CA ALA A 46 -10.753 8.848 -8.174 1.00 0.00 C ATOM 400 C ALA A 46 -11.809 7.727 -8.209 1.00 0.00 C ATOM 401 O ALA A 46 -12.939 7.939 -8.657 1.00 0.00 O ATOM 402 CB ALA A 46 -10.263 9.157 -9.596 1.00 0.00 C ATOM 0 H ALA A 46 -8.746 8.303 -7.800 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.223 9.740 -7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.114 9.415 -10.226 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.566 9.995 -9.567 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.760 8.281 -10.006 1.00 0.00 H new ATOM 408 N SER A 47 -11.411 6.534 -7.749 1.00 0.00 N ATOM 409 CA SER A 47 -12.288 5.361 -7.652 1.00 0.00 C ATOM 410 C SER A 47 -12.658 5.067 -6.181 1.00 0.00 C ATOM 411 O SER A 47 -13.193 3.997 -5.878 1.00 0.00 O ATOM 412 CB SER A 47 -11.565 4.168 -8.294 1.00 0.00 C ATOM 413 OG SER A 47 -11.183 4.470 -9.622 1.00 0.00 O ATOM 0 H SER A 47 -10.459 6.354 -7.430 1.00 0.00 H new ATOM 0 HA SER A 47 -13.223 5.550 -8.180 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.684 3.912 -7.706 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.217 3.295 -8.288 1.00 0.00 H new ATOM 0 HG SER A 47 -10.334 4.959 -9.615 1.00 0.00 H new ATOM 419 N ASN A 48 -12.341 6.024 -5.272 1.00 0.00 N ATOM 420 CA ASN A 48 -12.703 5.968 -3.823 1.00 0.00 C ATOM 421 C ASN A 48 -11.990 4.813 -3.068 1.00 0.00 C ATOM 422 O ASN A 48 -12.371 4.460 -1.946 1.00 0.00 O ATOM 423 CB ASN A 48 -14.253 5.888 -3.631 1.00 0.00 C ATOM 424 CG ASN A 48 -15.027 7.102 -4.170 1.00 0.00 C ATOM 425 OD1 ASN A 48 -14.598 7.781 -5.106 1.00 0.00 O ATOM 426 ND2 ASN A 48 -16.195 7.362 -3.592 1.00 0.00 N ATOM 0 H ASN A 48 -11.822 6.866 -5.522 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.347 6.898 -3.380 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.622 4.989 -4.126 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.469 5.778 -2.568 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.764 8.142 -3.921 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.522 6.782 -2.820 1.00 0.00 H new ATOM 433 N GLY A 49 -10.940 4.254 -3.687 1.00 0.00 N ATOM 434 CA GLY A 49 -10.176 3.133 -3.127 1.00 0.00 C ATOM 435 C GLY A 49 -10.377 1.845 -3.914 1.00 0.00 C ATOM 436 O GLY A 49 -9.799 0.806 -3.569 1.00 0.00 O ATOM 0 H GLY A 49 -10.596 4.569 -4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.116 3.388 -3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.476 2.974 -2.091 1.00 0.00 H new ATOM 440 N ASP A 50 -11.206 1.909 -4.975 1.00 0.00 N ATOM 441 CA ASP A 50 -11.519 0.746 -5.826 1.00 0.00 C ATOM 442 C ASP A 50 -10.433 0.537 -6.901 1.00 0.00 C ATOM 443 O ASP A 50 -10.309 1.337 -7.849 1.00 0.00 O ATOM 444 CB ASP A 50 -12.918 0.922 -6.472 1.00 0.00 C ATOM 445 CG ASP A 50 -13.317 -0.217 -7.422 1.00 0.00 C ATOM 446 OD1 ASP A 50 -13.260 -1.397 -7.016 1.00 0.00 O ATOM 447 OD2 ASP A 50 -13.717 0.061 -8.575 1.00 0.00 O ATOM 0 H ASP A 50 -11.676 2.767 -5.265 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.536 -0.147 -5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.664 1.000 -5.681 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.937 1.863 -7.022 1.00 0.00 H new ATOM 452 N ILE A 51 -9.654 -0.559 -6.743 1.00 0.00 N ATOM 453 CA ILE A 51 -8.574 -0.927 -7.676 1.00 0.00 C ATOM 454 C ILE A 51 -9.121 -1.067 -9.120 1.00 0.00 C ATOM 455 O ILE A 51 -8.494 -0.594 -10.060 1.00 0.00 O ATOM 456 CB ILE A 51 -7.853 -2.265 -7.225 1.00 0.00 C ATOM 457 CG1 ILE A 51 -6.614 -2.592 -8.134 1.00 0.00 C ATOM 458 CG2 ILE A 51 -8.841 -3.464 -7.159 1.00 0.00 C ATOM 459 CD1 ILE A 51 -5.419 -1.673 -7.937 1.00 0.00 C ATOM 0 H ILE A 51 -9.760 -1.209 -5.964 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.835 -0.125 -7.660 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.481 -2.098 -6.214 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.301 -3.618 -7.942 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.924 -2.543 -9.178 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.305 -4.360 -6.846 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.632 -3.245 -6.442 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.280 -3.629 -8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.613 -1.975 -8.606 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.709 -0.646 -8.159 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.077 -1.738 -6.904 1.00 0.00 H new ATOM 471 N THR A 52 -10.338 -1.633 -9.249 1.00 0.00 N ATOM 472 CA THR A 52 -10.968 -1.989 -10.535 1.00 0.00 C ATOM 473 C THR A 52 -11.126 -0.765 -11.470 1.00 0.00 C ATOM 474 O THR A 52 -10.557 -0.729 -12.571 1.00 0.00 O ATOM 475 CB THR A 52 -12.370 -2.630 -10.268 1.00 0.00 C ATOM 476 OG1 THR A 52 -12.302 -3.502 -9.127 1.00 0.00 O ATOM 477 CG2 THR A 52 -12.900 -3.410 -11.478 1.00 0.00 C ATOM 0 H THR A 52 -10.922 -1.860 -8.444 1.00 0.00 H new ATOM 0 HA THR A 52 -10.314 -2.702 -11.037 1.00 0.00 H new ATOM 0 HB THR A 52 -13.064 -1.812 -10.076 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.590 -3.016 -8.326 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.875 -3.834 -11.239 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.996 -2.738 -12.331 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.206 -4.213 -11.725 1.00 0.00 H new ATOM 485 N GLN A 53 -11.880 0.251 -10.997 1.00 0.00 N ATOM 486 CA GLN A 53 -12.109 1.496 -11.754 1.00 0.00 C ATOM 487 C GLN A 53 -10.821 2.298 -11.903 1.00 0.00 C ATOM 488 O GLN A 53 -10.680 3.028 -12.881 1.00 0.00 O ATOM 489 CB GLN A 53 -13.234 2.369 -11.116 1.00 0.00 C ATOM 490 CG GLN A 53 -14.669 1.928 -11.477 1.00 0.00 C ATOM 491 CD GLN A 53 -14.986 1.966 -12.983 1.00 0.00 C ATOM 492 OE1 GLN A 53 -15.769 1.155 -13.482 1.00 0.00 O ATOM 493 NE2 GLN A 53 -14.405 2.916 -13.720 1.00 0.00 N ATOM 0 H GLN A 53 -12.342 0.230 -10.088 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.446 1.205 -12.749 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -13.123 2.347 -10.032 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.096 3.404 -11.430 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -14.828 0.914 -11.110 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -15.376 2.571 -10.953 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.760 3.576 -13.285 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.606 2.982 -14.718 1.00 0.00 H new ATOM 502 N ALA A 54 -9.892 2.165 -10.940 1.00 0.00 N ATOM 503 CA ALA A 54 -8.565 2.786 -11.042 1.00 0.00 C ATOM 504 C ALA A 54 -7.809 2.279 -12.296 1.00 0.00 C ATOM 505 O ALA A 54 -7.227 3.086 -13.054 1.00 0.00 O ATOM 506 CB ALA A 54 -7.768 2.525 -9.771 1.00 0.00 C ATOM 0 H ALA A 54 -10.039 1.632 -10.083 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.691 3.863 -11.153 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.785 2.989 -9.856 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.297 2.948 -8.917 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.651 1.451 -9.629 1.00 0.00 H new ATOM 512 N VAL A 55 -7.868 0.937 -12.521 1.00 0.00 N ATOM 513 CA VAL A 55 -7.285 0.298 -13.723 1.00 0.00 C ATOM 514 C VAL A 55 -7.950 0.872 -14.973 1.00 0.00 C ATOM 515 O VAL A 55 -7.261 1.256 -15.914 1.00 0.00 O ATOM 516 CB VAL A 55 -7.453 -1.276 -13.758 1.00 0.00 C ATOM 517 CG1 VAL A 55 -6.643 -1.919 -14.919 1.00 0.00 C ATOM 518 CG2 VAL A 55 -7.094 -1.924 -12.418 1.00 0.00 C ATOM 0 H VAL A 55 -8.315 0.281 -11.881 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.217 0.512 -13.690 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.510 -1.469 -13.943 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.786 -3.000 -14.907 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.990 -1.517 -15.871 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.584 -1.691 -14.794 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.224 -3.004 -12.490 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.056 -1.699 -12.172 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.746 -1.531 -11.638 1.00 0.00 H new ATOM 528 N SER A 56 -9.302 0.941 -14.931 1.00 0.00 N ATOM 529 CA SER A 56 -10.129 1.457 -16.036 1.00 0.00 C ATOM 530 C SER A 56 -9.681 2.861 -16.473 1.00 0.00 C ATOM 531 O SER A 56 -9.438 3.082 -17.656 1.00 0.00 O ATOM 532 CB SER A 56 -11.615 1.469 -15.631 1.00 0.00 C ATOM 533 OG SER A 56 -12.452 1.868 -16.704 1.00 0.00 O ATOM 0 H SER A 56 -9.847 0.638 -14.124 1.00 0.00 H new ATOM 0 HA SER A 56 -9.998 0.790 -16.888 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.907 0.475 -15.293 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.756 2.146 -14.789 1.00 0.00 H new ATOM 0 HG SER A 56 -13.387 1.862 -16.409 1.00 0.00 H new ATOM 539 N LEU A 57 -9.538 3.777 -15.498 1.00 0.00 N ATOM 540 CA LEU A 57 -9.166 5.178 -15.759 1.00 0.00 C ATOM 541 C LEU A 57 -7.791 5.274 -16.446 1.00 0.00 C ATOM 542 O LEU A 57 -7.625 6.014 -17.423 1.00 0.00 O ATOM 543 CB LEU A 57 -9.164 5.987 -14.433 1.00 0.00 C ATOM 544 CG LEU A 57 -10.541 6.067 -13.689 1.00 0.00 C ATOM 545 CD1 LEU A 57 -10.407 6.741 -12.310 1.00 0.00 C ATOM 546 CD2 LEU A 57 -11.624 6.756 -14.560 1.00 0.00 C ATOM 0 H LEU A 57 -9.677 3.567 -14.510 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.908 5.603 -16.435 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.432 5.544 -13.758 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.827 7.001 -14.647 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.871 5.043 -13.515 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.383 6.777 -11.826 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.716 6.169 -11.691 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.027 7.755 -12.436 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.564 6.793 -14.010 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.305 7.770 -14.802 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.764 6.190 -15.481 1.00 0.00 H new ATOM 558 N LEU A 58 -6.819 4.487 -15.944 1.00 0.00 N ATOM 559 CA LEU A 58 -5.436 4.493 -16.468 1.00 0.00 C ATOM 560 C LEU A 58 -5.316 3.803 -17.843 1.00 0.00 C ATOM 561 O LEU A 58 -4.464 4.180 -18.661 1.00 0.00 O ATOM 562 CB LEU A 58 -4.485 3.840 -15.443 1.00 0.00 C ATOM 563 CG LEU A 58 -4.428 4.521 -14.042 1.00 0.00 C ATOM 564 CD1 LEU A 58 -3.389 3.847 -13.133 1.00 0.00 C ATOM 565 CD2 LEU A 58 -4.185 6.047 -14.152 1.00 0.00 C ATOM 0 H LEU A 58 -6.966 3.836 -15.173 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.149 5.534 -16.620 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.784 2.800 -15.309 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.479 3.831 -15.863 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.405 4.387 -13.578 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.375 4.346 -12.164 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.651 2.798 -12.997 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.403 3.918 -13.592 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.152 6.483 -13.154 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.237 6.229 -14.659 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.994 6.504 -14.721 1.00 0.00 H new ATOM 577 N THR A 59 -6.171 2.796 -18.094 1.00 0.00 N ATOM 578 CA THR A 59 -6.220 2.100 -19.391 1.00 0.00 C ATOM 579 C THR A 59 -6.978 2.961 -20.420 1.00 0.00 C ATOM 580 O THR A 59 -6.730 2.859 -21.621 1.00 0.00 O ATOM 581 CB THR A 59 -6.879 0.681 -19.272 1.00 0.00 C ATOM 582 OG1 THR A 59 -8.184 0.770 -18.670 1.00 0.00 O ATOM 583 CG2 THR A 59 -6.017 -0.296 -18.452 1.00 0.00 C ATOM 0 H THR A 59 -6.841 2.445 -17.410 1.00 0.00 H new ATOM 0 HA THR A 59 -5.194 1.952 -19.728 1.00 0.00 H new ATOM 0 HB THR A 59 -6.965 0.296 -20.288 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.380 1.705 -18.451 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.515 -1.264 -18.398 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.045 -0.414 -18.931 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.879 0.098 -17.445 1.00 0.00 H new ATOM 1203 N ASP A 101 -50.612 57.734 -53.887 1.00 0.00 N ATOM 1204 CA ASP A 101 -51.900 57.450 -54.565 1.00 0.00 C ATOM 1205 C ASP A 101 -52.984 58.465 -54.155 1.00 0.00 C ATOM 1206 O ASP A 101 -53.405 59.303 -54.964 1.00 0.00 O ATOM 1207 CB ASP A 101 -52.406 56.014 -54.255 1.00 0.00 C ATOM 1208 CG ASP A 101 -51.410 54.929 -54.669 1.00 0.00 C ATOM 1209 OD1 ASP A 101 -51.359 54.573 -55.860 1.00 0.00 O ATOM 1210 OD2 ASP A 101 -50.665 54.437 -53.800 1.00 0.00 O ATOM 0 HA ASP A 101 -51.713 57.536 -55.636 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -52.606 55.928 -53.187 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -53.352 55.848 -54.771 1.00 0.00 H new ATOM 1215 N LEU A 102 -53.394 58.403 -52.868 1.00 0.00 N ATOM 1216 CA LEU A 102 -54.470 59.261 -52.331 1.00 0.00 C ATOM 1217 C LEU A 102 -53.955 60.676 -51.990 1.00 0.00 C ATOM 1218 O LEU A 102 -54.750 61.619 -51.946 1.00 0.00 O ATOM 1219 CB LEU A 102 -55.231 58.575 -51.129 1.00 0.00 C ATOM 1220 CG LEU A 102 -54.554 58.440 -49.691 1.00 0.00 C ATOM 1221 CD1 LEU A 102 -53.081 57.966 -49.766 1.00 0.00 C ATOM 1222 CD2 LEU A 102 -54.705 59.737 -48.843 1.00 0.00 C ATOM 0 H LEU A 102 -52.993 57.764 -52.181 1.00 0.00 H new ATOM 0 HA LEU A 102 -55.211 59.387 -53.121 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -56.165 59.120 -50.991 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -55.494 57.568 -51.452 1.00 0.00 H new ATOM 0 HG LEU A 102 -55.105 57.656 -49.171 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -52.671 57.892 -48.759 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -53.037 56.990 -50.248 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -52.497 58.683 -50.344 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -54.228 59.595 -47.873 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -54.230 60.569 -49.363 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -55.763 59.956 -48.699 1.00 0.00 H new ATOM 1234 N GLN A 103 -52.627 60.812 -51.748 1.00 0.00 N ATOM 1235 CA GLN A 103 -51.976 62.128 -51.552 1.00 0.00 C ATOM 1236 C GLN A 103 -52.181 62.997 -52.812 1.00 0.00 C ATOM 1237 O GLN A 103 -52.743 64.089 -52.734 1.00 0.00 O ATOM 1238 CB GLN A 103 -50.442 61.986 -51.230 1.00 0.00 C ATOM 1239 CG GLN A 103 -50.060 61.918 -49.731 1.00 0.00 C ATOM 1240 CD GLN A 103 -50.550 60.659 -49.019 1.00 0.00 C ATOM 1241 OE1 GLN A 103 -51.635 60.637 -48.452 1.00 0.00 O ATOM 1242 NE2 GLN A 103 -49.761 59.592 -49.043 1.00 0.00 N ATOM 0 H GLN A 103 -51.986 60.022 -51.684 1.00 0.00 H new ATOM 0 HA GLN A 103 -52.442 62.609 -50.692 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -50.072 61.085 -51.719 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -49.918 62.830 -51.679 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -48.975 61.975 -49.641 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -50.468 62.792 -49.223 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -48.861 59.634 -49.522 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -50.054 58.730 -48.583 1.00 0.00 H new ATOM 1251 N ALA A 104 -51.756 62.455 -53.973 1.00 0.00 N ATOM 1252 CA ALA A 104 -51.870 63.138 -55.273 1.00 0.00 C ATOM 1253 C ALA A 104 -53.330 63.213 -55.738 1.00 0.00 C ATOM 1254 O ALA A 104 -53.700 64.166 -56.413 1.00 0.00 O ATOM 1255 CB ALA A 104 -50.990 62.444 -56.334 1.00 0.00 C ATOM 0 H ALA A 104 -51.325 61.532 -54.032 1.00 0.00 H new ATOM 0 HA ALA A 104 -51.511 64.159 -55.145 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -51.089 62.965 -57.286 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -49.948 62.468 -56.015 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -51.310 61.409 -56.452 1.00 0.00 H new ATOM 1261 N ALA A 105 -54.152 62.207 -55.373 1.00 0.00 N ATOM 1262 CA ALA A 105 -55.585 62.183 -55.712 1.00 0.00 C ATOM 1263 C ALA A 105 -56.314 63.416 -55.136 1.00 0.00 C ATOM 1264 O ALA A 105 -56.898 64.201 -55.886 1.00 0.00 O ATOM 1265 CB ALA A 105 -56.241 60.883 -55.225 1.00 0.00 C ATOM 0 H ALA A 105 -53.841 61.395 -54.839 1.00 0.00 H new ATOM 0 HA ALA A 105 -55.672 62.220 -56.798 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -57.299 60.889 -55.487 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -55.755 60.030 -55.699 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -56.136 60.806 -54.143 1.00 0.00 H new ATOM 1271 N ILE A 106 -56.215 63.601 -53.806 1.00 0.00 N ATOM 1272 CA ILE A 106 -56.868 64.720 -53.099 1.00 0.00 C ATOM 1273 C ILE A 106 -56.232 66.067 -53.501 1.00 0.00 C ATOM 1274 O ILE A 106 -56.954 67.033 -53.762 1.00 0.00 O ATOM 1275 CB ILE A 106 -56.809 64.528 -51.530 1.00 0.00 C ATOM 1276 CG1 ILE A 106 -57.517 63.198 -51.108 1.00 0.00 C ATOM 1277 CG2 ILE A 106 -57.415 65.749 -50.767 1.00 0.00 C ATOM 1278 CD1 ILE A 106 -58.993 63.106 -51.488 1.00 0.00 C ATOM 0 H ILE A 106 -55.683 62.983 -53.194 1.00 0.00 H new ATOM 0 HA ILE A 106 -57.917 64.728 -53.396 1.00 0.00 H new ATOM 0 HB ILE A 106 -55.758 64.465 -51.250 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -56.987 62.361 -51.563 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -57.427 63.083 -50.028 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -57.354 65.574 -49.693 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -56.856 66.650 -51.020 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -58.459 65.876 -51.055 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -59.396 62.150 -51.154 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -59.543 63.918 -51.011 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -59.096 63.185 -52.570 1.00 0.00 H new ATOM 1290 N ALA A 107 -54.880 66.094 -53.574 1.00 0.00 N ATOM 1291 CA ALA A 107 -54.094 67.304 -53.914 1.00 0.00 C ATOM 1292 C ALA A 107 -54.496 67.875 -55.285 1.00 0.00 C ATOM 1293 O ALA A 107 -54.815 69.058 -55.391 1.00 0.00 O ATOM 1294 CB ALA A 107 -52.579 67.001 -53.887 1.00 0.00 C ATOM 0 H ALA A 107 -54.301 65.273 -53.398 1.00 0.00 H new ATOM 0 HA ALA A 107 -54.316 68.057 -53.158 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -52.023 67.904 -54.140 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -52.293 66.665 -52.890 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -52.351 66.220 -54.612 1.00 0.00 H new ATOM 1300 N LEU A 108 -54.501 67.001 -56.315 1.00 0.00 N ATOM 1301 CA LEU A 108 -54.816 67.386 -57.698 1.00 0.00 C ATOM 1302 C LEU A 108 -56.298 67.740 -57.854 1.00 0.00 C ATOM 1303 O LEU A 108 -56.609 68.717 -58.520 1.00 0.00 O ATOM 1304 CB LEU A 108 -54.408 66.265 -58.689 1.00 0.00 C ATOM 1305 CG LEU A 108 -52.867 66.005 -58.818 1.00 0.00 C ATOM 1306 CD1 LEU A 108 -52.571 64.793 -59.725 1.00 0.00 C ATOM 1307 CD2 LEU A 108 -52.115 67.272 -59.305 1.00 0.00 C ATOM 0 H LEU A 108 -54.286 66.010 -56.206 1.00 0.00 H new ATOM 0 HA LEU A 108 -54.236 68.278 -57.935 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -54.890 65.338 -58.380 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -54.800 66.515 -59.675 1.00 0.00 H new ATOM 0 HG LEU A 108 -52.495 65.766 -57.822 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -51.493 64.643 -59.791 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -53.037 63.902 -59.305 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -52.974 64.977 -60.721 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -51.050 67.055 -59.383 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -52.497 67.569 -60.282 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -52.269 68.083 -58.593 1.00 0.00 H new ATOM 1319 N SER A 109 -57.196 66.960 -57.216 1.00 0.00 N ATOM 1320 CA SER A 109 -58.654 67.211 -57.279 1.00 0.00 C ATOM 1321 C SER A 109 -59.026 68.559 -56.614 1.00 0.00 C ATOM 1322 O SER A 109 -59.990 69.214 -57.021 1.00 0.00 O ATOM 1323 CB SER A 109 -59.426 66.051 -56.613 1.00 0.00 C ATOM 1324 OG SER A 109 -59.221 64.817 -57.291 1.00 0.00 O ATOM 0 H SER A 109 -56.938 66.151 -56.651 1.00 0.00 H new ATOM 0 HA SER A 109 -58.938 67.269 -58.330 1.00 0.00 H new ATOM 0 HB2 SER A 109 -59.108 65.952 -55.575 1.00 0.00 H new ATOM 0 HB3 SER A 109 -60.491 66.285 -56.599 1.00 0.00 H new ATOM 0 HG SER A 109 -58.410 64.387 -56.949 1.00 0.00 H new ATOM 1330 N LEU A 110 -58.248 68.952 -55.594 1.00 0.00 N ATOM 1331 CA LEU A 110 -58.422 70.228 -54.872 1.00 0.00 C ATOM 1332 C LEU A 110 -57.766 71.378 -55.679 1.00 0.00 C ATOM 1333 O LEU A 110 -58.259 72.507 -55.682 1.00 0.00 O ATOM 1334 CB LEU A 110 -57.812 70.092 -53.431 1.00 0.00 C ATOM 1335 CG LEU A 110 -58.503 70.899 -52.272 1.00 0.00 C ATOM 1336 CD1 LEU A 110 -58.348 72.435 -52.419 1.00 0.00 C ATOM 1337 CD2 LEU A 110 -60.002 70.498 -52.136 1.00 0.00 C ATOM 0 H LEU A 110 -57.473 68.390 -55.242 1.00 0.00 H new ATOM 0 HA LEU A 110 -59.480 70.466 -54.767 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -57.823 69.037 -53.159 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -56.767 70.398 -53.478 1.00 0.00 H new ATOM 0 HG LEU A 110 -57.982 70.628 -51.354 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -58.847 72.932 -51.587 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -57.290 72.696 -52.415 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -58.798 72.758 -53.358 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -60.460 71.069 -51.328 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -60.522 70.711 -53.070 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -60.075 69.433 -51.914 1.00 0.00 H new