USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 559 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -55:sc= 0.642 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 46:sc= 0.402 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 14:sc= 0.27! USER MOD Single : A 12 SER OG : rot 115:sc= 1.43 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -1.37 F(o=-2.7,f=-1.4) USER MOD Single : A 21 THR OG1 : rot 150:sc= 0 USER MOD Single : A 22 MET CE :methyl 167:sc=-0.00483 (180deg=-0.223) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0217) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.331 K(o=0.33,f=-5.5!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.13) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 32:sc= 0.326 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.169 -7.080 -12.448 1.00 0.00 N ATOM 2 CA GLY A 1 20.743 -8.347 -13.014 1.00 0.00 C ATOM 3 C GLY A 1 20.335 -8.224 -14.469 1.00 0.00 C ATOM 4 O GLY A 1 20.806 -8.980 -15.319 1.00 0.00 O ATOM 0 H1 GLY A 1 21.437 -7.217 -11.453 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.986 -6.719 -12.980 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.389 -6.395 -12.505 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.553 -9.071 -12.927 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.904 -8.736 -12.436 1.00 0.00 H new ATOM 8 N SER A 2 19.455 -7.270 -14.756 1.00 0.00 N ATOM 9 CA SER A 2 18.979 -7.054 -16.118 1.00 0.00 C ATOM 10 C SER A 2 18.394 -8.338 -16.699 1.00 0.00 C ATOM 11 O SER A 2 18.647 -8.680 -17.854 1.00 0.00 O ATOM 12 CB SER A 2 20.119 -6.552 -17.006 1.00 0.00 C ATOM 13 OG SER A 2 19.653 -6.243 -18.308 1.00 0.00 O ATOM 0 H SER A 2 19.057 -6.635 -14.064 1.00 0.00 H new ATOM 0 HA SER A 2 18.193 -6.299 -16.086 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.570 -5.667 -16.558 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.899 -7.311 -17.066 1.00 0.00 H new ATOM 0 HG SER A 2 19.199 -7.024 -18.687 1.00 0.00 H new ATOM 19 N SER A 3 17.612 -9.044 -15.889 1.00 0.00 N ATOM 20 CA SER A 3 16.994 -10.292 -16.320 1.00 0.00 C ATOM 21 C SER A 3 16.003 -10.796 -15.275 1.00 0.00 C ATOM 22 O SER A 3 16.246 -10.697 -14.073 1.00 0.00 O ATOM 23 CB SER A 3 18.065 -11.354 -16.578 1.00 0.00 C ATOM 24 OG SER A 3 17.629 -12.293 -17.545 1.00 0.00 O ATOM 0 H SER A 3 17.391 -8.773 -14.931 1.00 0.00 H new ATOM 0 HA SER A 3 16.453 -10.100 -17.246 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.982 -10.874 -16.920 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.302 -11.869 -15.647 1.00 0.00 H new ATOM 0 HG SER A 3 18.332 -12.960 -17.693 1.00 0.00 H new ATOM 30 N GLY A 4 14.883 -11.339 -15.744 1.00 0.00 N ATOM 31 CA GLY A 4 13.871 -11.851 -14.838 1.00 0.00 C ATOM 32 C GLY A 4 12.954 -12.858 -15.503 1.00 0.00 C ATOM 33 O GLY A 4 12.458 -12.623 -16.605 1.00 0.00 O ATOM 0 H GLY A 4 14.659 -11.433 -16.735 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.357 -12.317 -13.981 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.277 -11.021 -14.455 1.00 0.00 H new ATOM 37 N SER A 5 12.730 -13.984 -14.834 1.00 0.00 N ATOM 38 CA SER A 5 11.870 -15.034 -15.369 1.00 0.00 C ATOM 39 C SER A 5 10.709 -14.435 -16.157 1.00 0.00 C ATOM 40 O SER A 5 9.818 -13.805 -15.589 1.00 0.00 O ATOM 41 CB SER A 5 11.334 -15.911 -14.236 1.00 0.00 C ATOM 42 OG SER A 5 10.679 -15.130 -13.252 1.00 0.00 O ATOM 0 H SER A 5 13.132 -14.193 -13.920 1.00 0.00 H new ATOM 0 HA SER A 5 12.466 -15.649 -16.043 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.641 -16.649 -14.640 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.156 -16.463 -13.779 1.00 0.00 H new ATOM 0 HG SER A 5 10.080 -14.489 -13.689 1.00 0.00 H new ATOM 48 N SER A 6 10.727 -14.637 -17.471 1.00 0.00 N ATOM 49 CA SER A 6 9.679 -14.115 -18.339 1.00 0.00 C ATOM 50 C SER A 6 8.298 -14.414 -17.764 1.00 0.00 C ATOM 51 O SER A 6 7.765 -15.509 -17.936 1.00 0.00 O ATOM 52 CB SER A 6 9.801 -14.717 -19.741 1.00 0.00 C ATOM 53 OG SER A 6 8.714 -14.325 -20.561 1.00 0.00 O ATOM 0 H SER A 6 11.456 -15.159 -17.957 1.00 0.00 H new ATOM 0 HA SER A 6 9.801 -13.034 -18.404 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.738 -14.398 -20.197 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.835 -15.804 -19.672 1.00 0.00 H new ATOM 0 HG SER A 6 8.816 -14.721 -21.451 1.00 0.00 H new ATOM 59 N GLY A 7 7.723 -13.430 -17.078 1.00 0.00 N ATOM 60 CA GLY A 7 6.410 -13.606 -16.487 1.00 0.00 C ATOM 61 C GLY A 7 6.103 -12.560 -15.433 1.00 0.00 C ATOM 62 O GLY A 7 6.509 -12.694 -14.279 1.00 0.00 O ATOM 0 H GLY A 7 8.144 -12.514 -16.921 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.653 -13.561 -17.270 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.347 -14.598 -16.039 1.00 0.00 H new ATOM 66 N ASP A 8 5.387 -11.514 -15.831 1.00 0.00 N ATOM 67 CA ASP A 8 5.027 -10.440 -14.913 1.00 0.00 C ATOM 68 C ASP A 8 3.526 -10.173 -14.951 1.00 0.00 C ATOM 69 O ASP A 8 3.070 -9.224 -15.590 1.00 0.00 O ATOM 70 CB ASP A 8 5.794 -9.164 -15.262 1.00 0.00 C ATOM 71 CG ASP A 8 7.294 -9.381 -15.296 1.00 0.00 C ATOM 72 OD1 ASP A 8 7.883 -9.623 -14.222 1.00 0.00 O ATOM 73 OD2 ASP A 8 7.879 -9.308 -16.398 1.00 0.00 O ATOM 0 H ASP A 8 5.045 -11.387 -16.783 1.00 0.00 H new ATOM 0 HA ASP A 8 5.296 -10.752 -13.904 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.461 -8.797 -16.233 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.558 -8.390 -14.531 1.00 0.00 H new ATOM 78 N SER A 9 2.762 -11.016 -14.265 1.00 0.00 N ATOM 79 CA SER A 9 1.311 -10.874 -14.225 1.00 0.00 C ATOM 80 C SER A 9 0.900 -9.764 -13.262 1.00 0.00 C ATOM 81 O SER A 9 1.335 -9.734 -12.110 1.00 0.00 O ATOM 82 CB SER A 9 0.659 -12.194 -13.806 1.00 0.00 C ATOM 83 OG SER A 9 0.793 -12.409 -12.412 1.00 0.00 O ATOM 0 H SER A 9 3.123 -11.805 -13.729 1.00 0.00 H new ATOM 0 HA SER A 9 0.969 -10.609 -15.226 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.397 -12.183 -14.076 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.119 -13.019 -14.350 1.00 0.00 H new ATOM 0 HG SER A 9 1.072 -11.576 -11.978 1.00 0.00 H new ATOM 89 N ILE A 10 0.061 -8.853 -13.743 1.00 0.00 N ATOM 90 CA ILE A 10 -0.409 -7.741 -12.926 1.00 0.00 C ATOM 91 C ILE A 10 -1.579 -8.164 -12.044 1.00 0.00 C ATOM 92 O ILE A 10 -2.642 -8.538 -12.540 1.00 0.00 O ATOM 93 CB ILE A 10 -0.843 -6.547 -13.797 1.00 0.00 C ATOM 94 CG1 ILE A 10 0.342 -6.028 -14.615 1.00 0.00 C ATOM 95 CG2 ILE A 10 -1.419 -5.439 -12.927 1.00 0.00 C ATOM 96 CD1 ILE A 10 0.635 -6.857 -15.846 1.00 0.00 C ATOM 0 H ILE A 10 -0.307 -8.863 -14.694 1.00 0.00 H new ATOM 0 HA ILE A 10 0.427 -7.436 -12.296 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.618 -6.881 -14.487 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.142 -5.000 -14.918 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.229 -6.007 -13.982 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.721 -4.602 -13.557 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.286 -5.816 -12.384 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.663 -5.104 -12.217 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.486 -6.431 -16.377 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.867 -7.880 -15.549 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.237 -6.858 -16.500 1.00 0.00 H new ATOM 108 N VAL A 11 -1.377 -8.100 -10.732 1.00 0.00 N ATOM 109 CA VAL A 11 -2.416 -8.473 -9.779 1.00 0.00 C ATOM 110 C VAL A 11 -3.010 -7.242 -9.104 1.00 0.00 C ATOM 111 O VAL A 11 -2.292 -6.303 -8.759 1.00 0.00 O ATOM 112 CB VAL A 11 -1.871 -9.425 -8.698 1.00 0.00 C ATOM 113 CG1 VAL A 11 -2.975 -9.823 -7.731 1.00 0.00 C ATOM 114 CG2 VAL A 11 -1.243 -10.654 -9.339 1.00 0.00 C ATOM 0 H VAL A 11 -0.503 -7.793 -10.304 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.195 -8.985 -10.344 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.098 -8.903 -8.134 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.571 -10.496 -6.974 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.374 -8.931 -7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.772 -10.328 -8.277 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.863 -11.316 -8.561 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.993 -11.180 -9.929 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.422 -10.347 -9.987 1.00 0.00 H new ATOM 124 N SER A 12 -4.326 -7.253 -8.916 1.00 0.00 N ATOM 125 CA SER A 12 -5.018 -6.136 -8.284 1.00 0.00 C ATOM 126 C SER A 12 -5.794 -6.602 -7.056 1.00 0.00 C ATOM 127 O SER A 12 -6.581 -7.545 -7.127 1.00 0.00 O ATOM 128 CB SER A 12 -5.969 -5.469 -9.280 1.00 0.00 C ATOM 129 OG SER A 12 -6.782 -6.430 -9.930 1.00 0.00 O ATOM 0 H SER A 12 -4.934 -8.024 -9.193 1.00 0.00 H new ATOM 0 HA SER A 12 -4.270 -5.410 -7.965 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.599 -4.748 -8.759 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.394 -4.914 -10.021 1.00 0.00 H new ATOM 0 HG SER A 12 -7.718 -6.294 -9.674 1.00 0.00 H new ATOM 135 N ALA A 13 -5.565 -5.933 -5.931 1.00 0.00 N ATOM 136 CA ALA A 13 -6.243 -6.277 -4.687 1.00 0.00 C ATOM 137 C ALA A 13 -7.311 -5.245 -4.341 1.00 0.00 C ATOM 138 O ALA A 13 -7.269 -4.112 -4.820 1.00 0.00 O ATOM 139 CB ALA A 13 -5.236 -6.397 -3.553 1.00 0.00 C ATOM 0 H ALA A 13 -4.916 -5.150 -5.855 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.735 -7.240 -4.824 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.756 -6.654 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.512 -7.176 -3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.718 -5.447 -3.425 1.00 0.00 H new ATOM 145 N GLU A 14 -8.267 -5.645 -3.508 1.00 0.00 N ATOM 146 CA GLU A 14 -9.346 -4.754 -3.101 1.00 0.00 C ATOM 147 C GLU A 14 -9.372 -4.588 -1.584 1.00 0.00 C ATOM 148 O GLU A 14 -9.553 -5.557 -0.846 1.00 0.00 O ATOM 149 CB GLU A 14 -10.693 -5.291 -3.589 1.00 0.00 C ATOM 150 CG GLU A 14 -11.882 -4.467 -3.124 1.00 0.00 C ATOM 151 CD GLU A 14 -13.148 -5.292 -2.992 1.00 0.00 C ATOM 152 OE1 GLU A 14 -13.171 -6.209 -2.146 1.00 0.00 O ATOM 153 OE2 GLU A 14 -14.114 -5.020 -3.735 1.00 0.00 O ATOM 0 H GLU A 14 -8.316 -6.580 -3.102 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.167 -3.779 -3.553 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.688 -5.324 -4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.814 -6.316 -3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.649 -4.010 -2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.054 -3.654 -3.830 1.00 0.00 H new ATOM 160 N ALA A 15 -9.189 -3.354 -1.126 1.00 0.00 N ATOM 161 CA ALA A 15 -9.193 -3.061 0.302 1.00 0.00 C ATOM 162 C ALA A 15 -10.528 -3.436 0.936 1.00 0.00 C ATOM 163 O ALA A 15 -11.535 -2.758 0.734 1.00 0.00 O ATOM 164 CB ALA A 15 -8.889 -1.589 0.539 1.00 0.00 C ATOM 0 H ALA A 15 -9.036 -2.541 -1.723 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.416 -3.662 0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.895 -1.384 1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.908 -1.350 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.646 -0.977 0.048 1.00 0.00 H new ATOM 170 N VAL A 16 -10.529 -4.521 1.704 1.00 0.00 N ATOM 171 CA VAL A 16 -11.740 -4.986 2.368 1.00 0.00 C ATOM 172 C VAL A 16 -11.906 -4.328 3.733 1.00 0.00 C ATOM 173 O VAL A 16 -13.025 -4.064 4.174 1.00 0.00 O ATOM 174 CB VAL A 16 -11.730 -6.516 2.547 1.00 0.00 C ATOM 175 CG1 VAL A 16 -12.068 -7.209 1.236 1.00 0.00 C ATOM 176 CG2 VAL A 16 -10.381 -6.982 3.073 1.00 0.00 C ATOM 0 H VAL A 16 -9.704 -5.094 1.881 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.578 -4.707 1.729 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.492 -6.784 3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.056 -8.289 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.059 -6.898 0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.331 -6.937 0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.392 -8.065 3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.599 -6.703 2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.184 -6.512 4.036 1.00 0.00 H new ATOM 186 N TRP A 17 -10.786 -4.064 4.396 1.00 0.00 N ATOM 187 CA TRP A 17 -10.808 -3.435 5.712 1.00 0.00 C ATOM 188 C TRP A 17 -9.953 -2.172 5.726 1.00 0.00 C ATOM 189 O TRP A 17 -8.790 -2.195 5.323 1.00 0.00 O ATOM 190 CB TRP A 17 -10.309 -4.414 6.777 1.00 0.00 C ATOM 191 CG TRP A 17 -11.267 -5.535 7.048 1.00 0.00 C ATOM 192 CD1 TRP A 17 -11.825 -6.376 6.128 1.00 0.00 C ATOM 193 CD2 TRP A 17 -11.780 -5.934 8.323 1.00 0.00 C ATOM 194 NE1 TRP A 17 -12.654 -7.275 6.755 1.00 0.00 N ATOM 195 CE2 TRP A 17 -12.643 -7.025 8.102 1.00 0.00 C ATOM 196 CE3 TRP A 17 -11.593 -5.478 9.631 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -13.317 -7.663 9.140 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -12.262 -6.112 10.660 1.00 0.00 C ATOM 199 CH2 TRP A 17 -13.115 -7.196 10.410 1.00 0.00 C ATOM 0 H TRP A 17 -9.852 -4.275 4.045 1.00 0.00 H new ATOM 0 HA TRP A 17 -11.838 -3.158 5.937 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -9.354 -4.831 6.458 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.126 -3.870 7.704 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -11.642 -6.340 5.064 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -13.190 -8.009 6.293 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -10.937 -4.644 9.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -13.976 -8.497 8.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -12.126 -5.767 11.674 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -13.623 -7.672 11.236 1.00 0.00 H new ATOM 210 N ASP A 18 -10.537 -1.073 6.190 1.00 0.00 N ATOM 211 CA ASP A 18 -9.828 0.199 6.257 1.00 0.00 C ATOM 212 C ASP A 18 -8.531 0.058 7.049 1.00 0.00 C ATOM 213 O ASP A 18 -8.549 -0.257 8.239 1.00 0.00 O ATOM 214 CB ASP A 18 -10.715 1.269 6.896 1.00 0.00 C ATOM 215 CG ASP A 18 -11.723 1.843 5.919 1.00 0.00 C ATOM 216 OD1 ASP A 18 -12.654 1.109 5.527 1.00 0.00 O ATOM 217 OD2 ASP A 18 -11.581 3.027 5.549 1.00 0.00 O ATOM 0 H ASP A 18 -11.500 -1.037 6.525 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.581 0.502 5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.242 0.839 7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.089 2.073 7.282 1.00 0.00 H new ATOM 222 N HIS A 19 -7.407 0.291 6.379 1.00 0.00 N ATOM 223 CA HIS A 19 -6.100 0.190 7.020 1.00 0.00 C ATOM 224 C HIS A 19 -5.624 1.556 7.503 1.00 0.00 C ATOM 225 O HIS A 19 -4.580 2.048 7.075 1.00 0.00 O ATOM 226 CB HIS A 19 -5.079 -0.406 6.051 1.00 0.00 C ATOM 227 CG HIS A 19 -3.743 -0.670 6.675 1.00 0.00 C ATOM 228 ND1 HIS A 19 -3.403 -1.406 7.759 1.00 0.00 N flip ATOM 229 CD2 HIS A 19 -2.566 -0.146 6.184 1.00 0.00 C flip ATOM 230 CE1 HIS A 19 -2.040 -1.315 7.901 1.00 0.00 C flip ATOM 231 NE2 HIS A 19 -1.559 -0.549 6.938 1.00 0.00 N flip ATOM 0 H HIS A 19 -7.374 0.551 5.393 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.196 -0.467 7.884 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.474 -1.339 5.649 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -4.949 0.274 5.209 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.481 0.494 5.318 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.456 -1.792 8.674 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.577 -0.310 6.800 1.00 0.00 H new ATOM 240 N VAL A 20 -6.397 2.165 8.396 1.00 0.00 N ATOM 241 CA VAL A 20 -6.055 3.474 8.938 1.00 0.00 C ATOM 242 C VAL A 20 -4.663 3.465 9.561 1.00 0.00 C ATOM 243 O VAL A 20 -4.428 2.804 10.574 1.00 0.00 O ATOM 244 CB VAL A 20 -7.076 3.928 9.998 1.00 0.00 C ATOM 245 CG1 VAL A 20 -6.851 5.387 10.366 1.00 0.00 C ATOM 246 CG2 VAL A 20 -8.496 3.710 9.497 1.00 0.00 C ATOM 0 H VAL A 20 -7.265 1.772 8.760 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.072 4.175 8.104 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.934 3.325 10.895 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.582 5.690 11.116 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.846 5.510 10.769 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.964 6.008 9.477 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.205 4.036 10.258 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.653 4.286 8.585 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.650 2.651 9.288 1.00 0.00 H new ATOM 256 N THR A 21 -3.741 4.202 8.949 1.00 0.00 N ATOM 257 CA THR A 21 -2.372 4.278 9.442 1.00 0.00 C ATOM 258 C THR A 21 -1.872 5.718 9.458 1.00 0.00 C ATOM 259 O THR A 21 -2.087 6.469 8.507 1.00 0.00 O ATOM 260 CB THR A 21 -1.418 3.425 8.585 1.00 0.00 C ATOM 261 OG1 THR A 21 -0.058 3.723 8.921 1.00 0.00 O ATOM 262 CG2 THR A 21 -1.647 3.680 7.103 1.00 0.00 C ATOM 0 H THR A 21 -3.918 4.755 8.110 1.00 0.00 H new ATOM 0 HA THR A 21 -2.381 3.888 10.460 1.00 0.00 H new ATOM 0 HB THR A 21 -1.621 2.374 8.792 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.496 2.927 8.779 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.962 3.066 6.518 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.674 3.424 6.844 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.469 4.733 6.883 1.00 0.00 H new ATOM 270 N MET A 22 -1.204 6.096 10.543 1.00 0.00 N ATOM 271 CA MET A 22 -0.672 7.447 10.680 1.00 0.00 C ATOM 272 C MET A 22 0.805 7.490 10.303 1.00 0.00 C ATOM 273 O MET A 22 1.640 7.949 11.081 1.00 0.00 O ATOM 274 CB MET A 22 -0.860 7.949 12.113 1.00 0.00 C ATOM 275 CG MET A 22 -1.029 9.456 12.212 1.00 0.00 C ATOM 276 SD MET A 22 -2.521 10.043 11.386 1.00 0.00 S ATOM 277 CE MET A 22 -3.785 9.447 12.506 1.00 0.00 C ATOM 0 H MET A 22 -1.018 5.486 11.339 1.00 0.00 H new ATOM 0 HA MET A 22 -1.221 8.098 10.000 1.00 0.00 H new ATOM 0 HB2 MET A 22 -1.734 7.464 12.547 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.001 7.648 12.710 1.00 0.00 H new ATOM 0 HG2 MET A 22 -1.062 9.746 13.262 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.159 9.945 11.773 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.737 9.920 12.265 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.881 8.366 12.405 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.508 9.692 13.531 1.00 0.00 H new ATOM 287 N ALA A 23 1.120 7.009 9.105 1.00 0.00 N ATOM 288 CA ALA A 23 2.496 6.995 8.625 1.00 0.00 C ATOM 289 C ALA A 23 2.578 7.468 7.178 1.00 0.00 C ATOM 290 O ALA A 23 1.609 7.369 6.427 1.00 0.00 O ATOM 291 CB ALA A 23 3.088 5.599 8.760 1.00 0.00 C ATOM 0 H ALA A 23 0.441 6.624 8.449 1.00 0.00 H new ATOM 0 HA ALA A 23 3.075 7.685 9.239 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.116 5.603 8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.074 5.297 9.807 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.499 4.896 8.172 1.00 0.00 H new ATOM 297 N ASN A 24 3.741 7.984 6.794 1.00 0.00 N ATOM 298 CA ASN A 24 3.949 8.475 5.436 1.00 0.00 C ATOM 299 C ASN A 24 4.326 7.333 4.497 1.00 0.00 C ATOM 300 O ASN A 24 3.688 7.129 3.464 1.00 0.00 O ATOM 301 CB ASN A 24 5.041 9.546 5.420 1.00 0.00 C ATOM 302 CG ASN A 24 4.758 10.675 6.391 1.00 0.00 C ATOM 303 OD1 ASN A 24 5.145 10.617 7.558 1.00 0.00 O ATOM 304 ND2 ASN A 24 4.079 11.711 5.912 1.00 0.00 N ATOM 0 H ASN A 24 4.554 8.073 7.404 1.00 0.00 H new ATOM 0 HA ASN A 24 3.014 8.915 5.088 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.999 9.088 5.668 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.133 9.952 4.413 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.859 12.501 6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.778 11.717 4.938 1.00 0.00 H new ATOM 311 N ARG A 25 5.366 6.592 4.864 1.00 0.00 N ATOM 312 CA ARG A 25 5.829 5.471 4.054 1.00 0.00 C ATOM 313 C ARG A 25 4.693 4.488 3.786 1.00 0.00 C ATOM 314 O ARG A 25 4.541 3.991 2.671 1.00 0.00 O ATOM 315 CB ARG A 25 6.985 4.753 4.753 1.00 0.00 C ATOM 316 CG ARG A 25 8.160 5.661 5.077 1.00 0.00 C ATOM 317 CD ARG A 25 9.087 5.820 3.882 1.00 0.00 C ATOM 318 NE ARG A 25 8.605 6.831 2.945 1.00 0.00 N ATOM 319 CZ ARG A 25 9.350 7.348 1.975 1.00 0.00 C ATOM 320 NH1 ARG A 25 10.605 6.951 1.815 1.00 0.00 N ATOM 321 NH2 ARG A 25 8.840 8.264 1.162 1.00 0.00 N ATOM 0 H ARG A 25 5.904 6.747 5.717 1.00 0.00 H new ATOM 0 HA ARG A 25 6.178 5.864 3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.618 4.305 5.676 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.331 3.937 4.119 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.791 6.639 5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.717 5.250 5.919 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.083 6.094 4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.181 4.864 3.367 1.00 0.00 H new ATOM 0 HE ARG A 25 7.644 7.158 3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.000 6.247 2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.175 7.350 1.069 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.875 8.572 1.282 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.413 8.661 0.417 1.00 0.00 H new ATOM 335 N GLU A 26 3.899 4.214 4.816 1.00 0.00 N ATOM 336 CA GLU A 26 2.779 3.289 4.691 1.00 0.00 C ATOM 337 C GLU A 26 1.783 3.780 3.644 1.00 0.00 C ATOM 338 O GLU A 26 1.866 4.917 3.177 1.00 0.00 O ATOM 339 CB GLU A 26 2.075 3.120 6.040 1.00 0.00 C ATOM 340 CG GLU A 26 2.958 2.507 7.114 1.00 0.00 C ATOM 341 CD GLU A 26 3.039 0.997 7.011 1.00 0.00 C ATOM 342 OE1 GLU A 26 2.015 0.371 6.663 1.00 0.00 O ATOM 343 OE2 GLU A 26 4.124 0.440 7.280 1.00 0.00 O ATOM 0 H GLU A 26 4.010 4.619 5.746 1.00 0.00 H new ATOM 0 HA GLU A 26 3.172 2.324 4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.724 4.094 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.194 2.493 5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.961 2.927 7.038 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.572 2.780 8.096 1.00 0.00 H new ATOM 350 N LEU A 27 0.843 2.915 3.280 1.00 0.00 N ATOM 351 CA LEU A 27 -0.170 3.259 2.287 1.00 0.00 C ATOM 352 C LEU A 27 -1.561 3.280 2.913 1.00 0.00 C ATOM 353 O LEU A 27 -2.162 2.233 3.149 1.00 0.00 O ATOM 354 CB LEU A 27 -0.135 2.262 1.128 1.00 0.00 C ATOM 355 CG LEU A 27 -1.009 2.605 -0.079 1.00 0.00 C ATOM 356 CD1 LEU A 27 -0.533 3.892 -0.735 1.00 0.00 C ATOM 357 CD2 LEU A 27 -1.007 1.460 -1.082 1.00 0.00 C ATOM 0 H LEU A 27 0.761 1.971 3.657 1.00 0.00 H new ATOM 0 HA LEU A 27 0.052 4.256 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.896 2.166 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.439 1.286 1.506 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.031 2.755 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.167 4.120 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.588 4.709 -0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.498 3.771 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.634 1.722 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.012 1.277 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.397 0.560 -0.607 1.00 0.00 H new ATOM 369 N ALA A 28 -2.066 4.481 3.177 1.00 0.00 N ATOM 370 CA ALA A 28 -3.388 4.639 3.771 1.00 0.00 C ATOM 371 C ALA A 28 -4.481 4.539 2.713 1.00 0.00 C ATOM 372 O ALA A 28 -4.325 5.034 1.596 1.00 0.00 O ATOM 373 CB ALA A 28 -3.481 5.968 4.506 1.00 0.00 C ATOM 0 H ALA A 28 -1.580 5.358 2.989 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.537 3.830 4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.473 6.073 4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.730 6.000 5.295 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.306 6.784 3.805 1.00 0.00 H new ATOM 379 N PHE A 29 -5.588 3.896 3.070 1.00 0.00 N ATOM 380 CA PHE A 29 -6.707 3.731 2.150 1.00 0.00 C ATOM 381 C PHE A 29 -7.966 3.301 2.897 1.00 0.00 C ATOM 382 O PHE A 29 -7.908 2.913 4.063 1.00 0.00 O ATOM 383 CB PHE A 29 -6.361 2.699 1.074 1.00 0.00 C ATOM 384 CG PHE A 29 -5.785 1.427 1.626 1.00 0.00 C ATOM 385 CD1 PHE A 29 -4.421 1.304 1.838 1.00 0.00 C ATOM 386 CD2 PHE A 29 -6.606 0.354 1.932 1.00 0.00 C ATOM 387 CE1 PHE A 29 -3.887 0.134 2.347 1.00 0.00 C ATOM 388 CE2 PHE A 29 -6.078 -0.817 2.441 1.00 0.00 C ATOM 389 CZ PHE A 29 -4.717 -0.928 2.647 1.00 0.00 C ATOM 0 H PHE A 29 -5.734 3.481 3.990 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.899 4.692 1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.260 2.464 0.505 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.648 3.138 0.376 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.768 2.131 1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.671 0.434 1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.823 0.051 2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.729 -1.645 2.678 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.303 -1.844 3.042 1.00 0.00 H new ATOM 399 N LYS A 30 -9.105 3.373 2.215 1.00 0.00 N ATOM 400 CA LYS A 30 -10.379 2.992 2.811 1.00 0.00 C ATOM 401 C LYS A 30 -10.978 1.788 2.091 1.00 0.00 C ATOM 402 O LYS A 30 -10.561 1.443 0.986 1.00 0.00 O ATOM 403 CB LYS A 30 -11.359 4.166 2.765 1.00 0.00 C ATOM 404 CG LYS A 30 -10.841 5.419 3.450 1.00 0.00 C ATOM 405 CD LYS A 30 -9.994 6.259 2.509 1.00 0.00 C ATOM 406 CE LYS A 30 -10.857 7.130 1.609 1.00 0.00 C ATOM 407 NZ LYS A 30 -11.390 8.317 2.333 1.00 0.00 N ATOM 0 H LYS A 30 -9.171 3.692 1.248 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.198 2.719 3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.586 4.398 1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.295 3.865 3.236 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.682 6.011 3.811 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.250 5.140 4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.320 6.889 3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.372 5.606 1.897 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.270 7.460 0.752 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.686 6.540 1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.902 8.929 1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.038 8.004 3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.602 8.848 2.756 1.00 0.00 H new ATOM 421 N ALA A 31 -11.958 1.153 2.725 1.00 0.00 N ATOM 422 CA ALA A 31 -12.616 -0.011 2.143 1.00 0.00 C ATOM 423 C ALA A 31 -13.200 0.317 0.773 1.00 0.00 C ATOM 424 O ALA A 31 -14.108 1.139 0.654 1.00 0.00 O ATOM 425 CB ALA A 31 -13.706 -0.522 3.074 1.00 0.00 C ATOM 0 H ALA A 31 -12.314 1.425 3.641 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.868 -0.793 2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.189 -1.391 2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.265 -0.804 4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.446 0.262 3.233 1.00 0.00 H new ATOM 431 N GLY A 32 -12.672 -0.331 -0.261 1.00 0.00 N ATOM 432 CA GLY A 32 -13.153 -0.094 -1.610 1.00 0.00 C ATOM 433 C GLY A 32 -12.047 0.341 -2.552 1.00 0.00 C ATOM 434 O GLY A 32 -12.084 0.039 -3.744 1.00 0.00 O ATOM 0 H GLY A 32 -11.920 -1.016 -0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.615 -1.004 -1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.928 0.672 -1.587 1.00 0.00 H new ATOM 438 N ASP A 33 -11.062 1.053 -2.016 1.00 0.00 N ATOM 439 CA ASP A 33 -9.941 1.530 -2.817 1.00 0.00 C ATOM 440 C ASP A 33 -9.221 0.367 -3.492 1.00 0.00 C ATOM 441 O ASP A 33 -8.959 -0.661 -2.868 1.00 0.00 O ATOM 442 CB ASP A 33 -8.960 2.316 -1.944 1.00 0.00 C ATOM 443 CG ASP A 33 -9.482 3.692 -1.582 1.00 0.00 C ATOM 444 OD1 ASP A 33 -10.328 4.222 -2.332 1.00 0.00 O ATOM 445 OD2 ASP A 33 -9.044 4.241 -0.549 1.00 0.00 O ATOM 0 H ASP A 33 -11.017 1.312 -1.031 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.334 2.189 -3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.760 1.755 -1.031 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.011 2.417 -2.470 1.00 0.00 H new ATOM 450 N VAL A 34 -8.904 0.537 -4.772 1.00 0.00 N ATOM 451 CA VAL A 34 -8.214 -0.499 -5.532 1.00 0.00 C ATOM 452 C VAL A 34 -6.726 -0.191 -5.654 1.00 0.00 C ATOM 453 O VAL A 34 -6.337 0.825 -6.230 1.00 0.00 O ATOM 454 CB VAL A 34 -8.813 -0.652 -6.943 1.00 0.00 C ATOM 455 CG1 VAL A 34 -8.090 -1.745 -7.715 1.00 0.00 C ATOM 456 CG2 VAL A 34 -10.303 -0.943 -6.860 1.00 0.00 C ATOM 0 H VAL A 34 -9.114 1.382 -5.304 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.345 -1.433 -4.986 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.679 0.287 -7.479 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.527 -1.838 -8.709 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.034 -1.489 -7.805 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.190 -2.692 -7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.710 -1.048 -7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.463 -1.868 -6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.806 -0.122 -6.349 1.00 0.00 H new ATOM 466 N ILE A 35 -5.898 -1.076 -5.109 1.00 0.00 N ATOM 467 CA ILE A 35 -4.452 -0.901 -5.159 1.00 0.00 C ATOM 468 C ILE A 35 -3.818 -1.841 -6.178 1.00 0.00 C ATOM 469 O ILE A 35 -3.901 -3.062 -6.049 1.00 0.00 O ATOM 470 CB ILE A 35 -3.808 -1.146 -3.781 1.00 0.00 C ATOM 471 CG1 ILE A 35 -4.477 -0.273 -2.718 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.313 -0.867 -3.839 1.00 0.00 C ATOM 473 CD1 ILE A 35 -5.662 -0.936 -2.051 1.00 0.00 C ATOM 0 H ILE A 35 -6.204 -1.922 -4.628 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.270 0.131 -5.459 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.953 -2.191 -3.509 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.741 -0.012 -1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.804 0.659 -3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.871 -1.044 -2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.848 -1.527 -4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.147 0.171 -4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.087 -0.260 -1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.417 -1.172 -2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.337 -1.854 -1.562 1.00 0.00 H new ATOM 485 N LYS A 36 -3.183 -1.263 -7.193 1.00 0.00 N ATOM 486 CA LYS A 36 -2.532 -2.048 -8.235 1.00 0.00 C ATOM 487 C LYS A 36 -1.172 -2.555 -7.764 1.00 0.00 C ATOM 488 O LYS A 36 -0.202 -1.799 -7.706 1.00 0.00 O ATOM 489 CB LYS A 36 -2.364 -1.209 -9.504 1.00 0.00 C ATOM 490 CG LYS A 36 -1.941 -2.020 -10.717 1.00 0.00 C ATOM 491 CD LYS A 36 -2.249 -1.287 -12.012 1.00 0.00 C ATOM 492 CE LYS A 36 -2.328 -2.246 -13.189 1.00 0.00 C ATOM 493 NZ LYS A 36 -2.897 -1.592 -14.400 1.00 0.00 N ATOM 0 H LYS A 36 -3.106 -0.253 -7.316 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.164 -2.908 -8.456 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.305 -0.706 -9.724 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.622 -0.432 -9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.873 -2.229 -10.661 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.455 -2.981 -10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.194 -0.752 -11.913 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.478 -0.540 -12.201 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.332 -2.626 -13.416 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.942 -3.105 -12.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.934 -2.279 -15.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.858 -1.252 -14.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.297 -0.788 -14.675 1.00 0.00 H new ATOM 507 N VAL A 37 -1.108 -3.840 -7.429 1.00 0.00 N ATOM 508 CA VAL A 37 0.133 -4.448 -6.966 1.00 0.00 C ATOM 509 C VAL A 37 1.239 -4.299 -8.005 1.00 0.00 C ATOM 510 O VAL A 37 1.118 -4.785 -9.131 1.00 0.00 O ATOM 511 CB VAL A 37 -0.059 -5.943 -6.648 1.00 0.00 C ATOM 512 CG1 VAL A 37 1.234 -6.547 -6.121 1.00 0.00 C ATOM 513 CG2 VAL A 37 -1.191 -6.133 -5.651 1.00 0.00 C ATOM 0 H VAL A 37 -1.901 -4.480 -7.470 1.00 0.00 H new ATOM 0 HA VAL A 37 0.421 -3.924 -6.055 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.325 -6.462 -7.569 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.079 -7.603 -5.902 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.017 -6.443 -6.872 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.534 -6.028 -5.211 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.313 -7.195 -5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.956 -5.602 -4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.116 -5.739 -6.071 1.00 0.00 H new ATOM 523 N LEU A 38 2.317 -3.625 -7.621 1.00 0.00 N ATOM 524 CA LEU A 38 3.447 -3.412 -8.519 1.00 0.00 C ATOM 525 C LEU A 38 4.474 -4.531 -8.378 1.00 0.00 C ATOM 526 O LEU A 38 4.902 -5.123 -9.369 1.00 0.00 O ATOM 527 CB LEU A 38 4.105 -2.061 -8.231 1.00 0.00 C ATOM 528 CG LEU A 38 3.381 -0.831 -8.779 1.00 0.00 C ATOM 529 CD1 LEU A 38 3.960 0.441 -8.179 1.00 0.00 C ATOM 530 CD2 LEU A 38 3.467 -0.794 -10.298 1.00 0.00 C ATOM 0 H LEU A 38 2.433 -3.216 -6.694 1.00 0.00 H new ATOM 0 HA LEU A 38 3.072 -3.416 -9.542 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.202 -1.950 -7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.115 -2.076 -8.642 1.00 0.00 H new ATOM 0 HG LEU A 38 2.330 -0.896 -8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.432 1.306 -8.581 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.845 0.417 -7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.018 0.513 -8.430 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.946 0.088 -10.671 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.513 -0.754 -10.602 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.004 -1.690 -10.711 1.00 0.00 H new ATOM 542 N ASP A 39 4.863 -4.817 -7.140 1.00 0.00 N ATOM 543 CA ASP A 39 5.836 -5.868 -6.869 1.00 0.00 C ATOM 544 C ASP A 39 5.722 -6.356 -5.428 1.00 0.00 C ATOM 545 O ASP A 39 5.775 -5.564 -4.488 1.00 0.00 O ATOM 546 CB ASP A 39 7.254 -5.361 -7.137 1.00 0.00 C ATOM 547 CG ASP A 39 8.296 -6.092 -6.313 1.00 0.00 C ATOM 548 OD1 ASP A 39 8.385 -5.825 -5.097 1.00 0.00 O ATOM 549 OD2 ASP A 39 9.023 -6.931 -6.886 1.00 0.00 O ATOM 0 H ASP A 39 4.519 -4.336 -6.309 1.00 0.00 H new ATOM 0 HA ASP A 39 5.625 -6.705 -7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.485 -5.478 -8.196 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.303 -4.295 -6.916 1.00 0.00 H new ATOM 554 N ALA A 40 5.562 -7.665 -5.263 1.00 0.00 N ATOM 555 CA ALA A 40 5.441 -8.259 -3.937 1.00 0.00 C ATOM 556 C ALA A 40 6.778 -8.817 -3.461 1.00 0.00 C ATOM 557 O ALA A 40 6.842 -9.916 -2.911 1.00 0.00 O ATOM 558 CB ALA A 40 4.383 -9.352 -3.944 1.00 0.00 C ATOM 0 H ALA A 40 5.513 -8.334 -6.031 1.00 0.00 H new ATOM 0 HA ALA A 40 5.136 -7.477 -3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.303 -9.787 -2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.422 -8.926 -4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.665 -10.127 -4.657 1.00 0.00 H new ATOM 564 N SER A 41 7.843 -8.052 -3.676 1.00 0.00 N ATOM 565 CA SER A 41 9.180 -8.472 -3.272 1.00 0.00 C ATOM 566 C SER A 41 9.132 -9.250 -1.960 1.00 0.00 C ATOM 567 O SER A 41 9.459 -10.435 -1.916 1.00 0.00 O ATOM 568 CB SER A 41 10.097 -7.257 -3.125 1.00 0.00 C ATOM 569 OG SER A 41 11.386 -7.641 -2.680 1.00 0.00 O ATOM 0 H SER A 41 7.806 -7.138 -4.128 1.00 0.00 H new ATOM 0 HA SER A 41 9.578 -9.126 -4.048 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.178 -6.741 -4.082 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.660 -6.551 -2.418 1.00 0.00 H new ATOM 0 HG SER A 41 11.953 -6.846 -2.596 1.00 0.00 H new ATOM 575 N ASN A 42 8.722 -8.572 -0.893 1.00 0.00 N ATOM 576 CA ASN A 42 8.631 -9.198 0.421 1.00 0.00 C ATOM 577 C ASN A 42 7.371 -10.050 0.532 1.00 0.00 C ATOM 578 O ASN A 42 6.385 -9.815 -0.167 1.00 0.00 O ATOM 579 CB ASN A 42 8.637 -8.131 1.518 1.00 0.00 C ATOM 580 CG ASN A 42 9.242 -8.637 2.814 1.00 0.00 C ATOM 581 OD1 ASN A 42 8.629 -9.428 3.531 1.00 0.00 O ATOM 582 ND2 ASN A 42 10.452 -8.183 3.119 1.00 0.00 N ATOM 0 H ASN A 42 8.448 -7.590 -0.912 1.00 0.00 H new ATOM 0 HA ASN A 42 9.498 -9.846 0.548 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.198 -7.262 1.173 1.00 0.00 H new ATOM 0 HB3 ASN A 42 7.616 -7.798 1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.910 -8.489 3.977 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.923 -7.528 2.495 1.00 0.00 H new ATOM 589 N LYS A 43 7.409 -11.041 1.416 1.00 0.00 N ATOM 590 CA LYS A 43 6.271 -11.928 1.622 1.00 0.00 C ATOM 591 C LYS A 43 5.312 -11.352 2.659 1.00 0.00 C ATOM 592 O LYS A 43 4.219 -11.878 2.867 1.00 0.00 O ATOM 593 CB LYS A 43 6.750 -13.312 2.068 1.00 0.00 C ATOM 594 CG LYS A 43 5.788 -14.432 1.712 1.00 0.00 C ATOM 595 CD LYS A 43 6.023 -15.662 2.573 1.00 0.00 C ATOM 596 CE LYS A 43 7.225 -16.460 2.089 1.00 0.00 C ATOM 597 NZ LYS A 43 7.138 -17.892 2.488 1.00 0.00 N ATOM 0 H LYS A 43 8.217 -11.250 2.002 1.00 0.00 H new ATOM 0 HA LYS A 43 5.740 -12.022 0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.718 -13.517 1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.902 -13.304 3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.762 -14.087 1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.906 -14.694 0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.179 -15.358 3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.135 -16.294 2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.295 -16.389 1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.138 -16.025 2.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.975 -18.401 2.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.097 -17.962 3.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.281 -18.315 2.079 1.00 0.00 H new ATOM 611 N ASP A 44 5.729 -10.269 3.306 1.00 0.00 N ATOM 612 CA ASP A 44 4.906 -9.620 4.320 1.00 0.00 C ATOM 613 C ASP A 44 4.453 -8.241 3.851 1.00 0.00 C ATOM 614 O ASP A 44 3.260 -7.936 3.849 1.00 0.00 O ATOM 615 CB ASP A 44 5.680 -9.497 5.633 1.00 0.00 C ATOM 616 CG ASP A 44 5.560 -10.739 6.494 1.00 0.00 C ATOM 617 OD1 ASP A 44 4.484 -11.373 6.476 1.00 0.00 O ATOM 618 OD2 ASP A 44 6.543 -11.078 7.186 1.00 0.00 O ATOM 0 H ASP A 44 6.632 -9.822 3.146 1.00 0.00 H new ATOM 0 HA ASP A 44 4.022 -10.236 4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.731 -9.309 5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.311 -8.635 6.190 1.00 0.00 H new ATOM 623 N TRP A 45 5.412 -7.412 3.456 1.00 0.00 N ATOM 624 CA TRP A 45 5.111 -6.064 2.986 1.00 0.00 C ATOM 625 C TRP A 45 4.883 -6.052 1.478 1.00 0.00 C ATOM 626 O TRP A 45 5.744 -6.477 0.708 1.00 0.00 O ATOM 627 CB TRP A 45 6.250 -5.109 3.350 1.00 0.00 C ATOM 628 CG TRP A 45 6.365 -4.856 4.822 1.00 0.00 C ATOM 629 CD1 TRP A 45 7.457 -5.082 5.610 1.00 0.00 C ATOM 630 CD2 TRP A 45 5.349 -4.330 5.683 1.00 0.00 C ATOM 631 NE1 TRP A 45 7.181 -4.728 6.909 1.00 0.00 N ATOM 632 CE2 TRP A 45 5.895 -4.263 6.980 1.00 0.00 C ATOM 633 CE3 TRP A 45 4.032 -3.906 5.484 1.00 0.00 C ATOM 634 CZ2 TRP A 45 5.168 -3.791 8.070 1.00 0.00 C ATOM 635 CZ3 TRP A 45 3.312 -3.439 6.567 1.00 0.00 C ATOM 636 CH2 TRP A 45 3.881 -3.384 7.846 1.00 0.00 C ATOM 0 H TRP A 45 6.404 -7.649 3.452 1.00 0.00 H new ATOM 0 HA TRP A 45 4.196 -5.730 3.476 1.00 0.00 H new ATOM 0 HB2 TRP A 45 7.191 -5.521 2.985 1.00 0.00 H new ATOM 0 HB3 TRP A 45 6.097 -4.160 2.836 1.00 0.00 H new ATOM 0 HD1 TRP A 45 8.399 -5.480 5.263 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.829 -4.800 7.693 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.585 -3.943 4.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.604 -3.748 9.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.293 -3.111 6.425 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.292 -3.013 8.672 1.00 0.00 H new ATOM 647 N TRP A 46 3.720 -5.562 1.065 1.00 0.00 N ATOM 648 CA TRP A 46 3.380 -5.495 -0.352 1.00 0.00 C ATOM 649 C TRP A 46 3.303 -4.047 -0.825 1.00 0.00 C ATOM 650 O TRP A 46 2.951 -3.152 -0.057 1.00 0.00 O ATOM 651 CB TRP A 46 2.047 -6.200 -0.612 1.00 0.00 C ATOM 652 CG TRP A 46 2.198 -7.659 -0.920 1.00 0.00 C ATOM 653 CD1 TRP A 46 3.295 -8.438 -0.683 1.00 0.00 C ATOM 654 CD2 TRP A 46 1.220 -8.513 -1.523 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.057 -9.724 -1.103 1.00 0.00 N ATOM 656 CE2 TRP A 46 1.791 -9.797 -1.621 1.00 0.00 C ATOM 657 CE3 TRP A 46 -0.084 -8.319 -1.988 1.00 0.00 C ATOM 658 CZ2 TRP A 46 1.103 -10.878 -2.166 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.765 -9.392 -2.529 1.00 0.00 C ATOM 660 CH2 TRP A 46 -0.171 -10.659 -2.614 1.00 0.00 C ATOM 0 H TRP A 46 2.997 -5.206 1.690 1.00 0.00 H new ATOM 0 HA TRP A 46 4.166 -6.000 -0.913 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.406 -6.085 0.262 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.541 -5.711 -1.444 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.214 -8.094 -0.232 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.717 -10.499 -1.039 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.551 -7.347 -1.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.559 -11.855 -2.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.772 -9.253 -2.893 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.730 -11.478 -3.042 1.00 0.00 H new ATOM 671 N TRP A 47 3.635 -3.826 -2.092 1.00 0.00 N ATOM 672 CA TRP A 47 3.604 -2.485 -2.666 1.00 0.00 C ATOM 673 C TRP A 47 2.508 -2.371 -3.720 1.00 0.00 C ATOM 674 O TRP A 47 2.098 -3.367 -4.314 1.00 0.00 O ATOM 675 CB TRP A 47 4.960 -2.141 -3.284 1.00 0.00 C ATOM 676 CG TRP A 47 5.125 -0.681 -3.579 1.00 0.00 C ATOM 677 CD1 TRP A 47 4.916 -0.058 -4.777 1.00 0.00 C ATOM 678 CD2 TRP A 47 5.534 0.338 -2.661 1.00 0.00 C ATOM 679 NE1 TRP A 47 5.171 1.287 -4.658 1.00 0.00 N ATOM 680 CE2 TRP A 47 5.551 1.556 -3.370 1.00 0.00 C ATOM 681 CE3 TRP A 47 5.885 0.342 -1.308 1.00 0.00 C ATOM 682 CZ2 TRP A 47 5.907 2.761 -2.770 1.00 0.00 C ATOM 683 CZ3 TRP A 47 6.239 1.539 -0.715 1.00 0.00 C ATOM 684 CH2 TRP A 47 6.247 2.735 -1.445 1.00 0.00 C ATOM 0 H TRP A 47 3.928 -4.556 -2.741 1.00 0.00 H new ATOM 0 HA TRP A 47 3.388 -1.778 -1.865 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.752 -2.459 -2.606 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.085 -2.707 -4.207 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.597 -0.550 -5.684 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.090 1.974 -5.408 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.880 -0.574 -0.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.914 3.684 -3.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 6.514 1.553 0.329 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.527 3.654 -0.952 1.00 0.00 H new ATOM 695 N GLY A 48 2.036 -1.148 -3.947 1.00 0.00 N ATOM 696 CA GLY A 48 0.992 -0.927 -4.930 1.00 0.00 C ATOM 697 C GLY A 48 0.994 0.490 -5.469 1.00 0.00 C ATOM 698 O GLY A 48 1.689 1.359 -4.944 1.00 0.00 O ATOM 0 H GLY A 48 2.358 -0.307 -3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.121 -1.627 -5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.022 -1.140 -4.480 1.00 0.00 H new ATOM 702 N GLN A 49 0.215 0.723 -6.520 1.00 0.00 N ATOM 703 CA GLN A 49 0.132 2.044 -7.132 1.00 0.00 C ATOM 704 C GLN A 49 -1.302 2.562 -7.115 1.00 0.00 C ATOM 705 O GLN A 49 -2.186 1.990 -7.754 1.00 0.00 O ATOM 706 CB GLN A 49 0.654 1.998 -8.569 1.00 0.00 C ATOM 707 CG GLN A 49 0.703 3.360 -9.242 1.00 0.00 C ATOM 708 CD GLN A 49 1.695 3.409 -10.387 1.00 0.00 C ATOM 709 OE1 GLN A 49 1.776 2.483 -11.194 1.00 0.00 O ATOM 710 NE2 GLN A 49 2.457 4.494 -10.464 1.00 0.00 N ATOM 0 H GLN A 49 -0.368 0.014 -6.966 1.00 0.00 H new ATOM 0 HA GLN A 49 0.752 2.726 -6.550 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.654 1.565 -8.570 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.019 1.334 -9.156 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.290 3.613 -9.615 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.968 4.117 -8.504 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.356 5.238 -9.773 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.143 4.583 -11.214 1.00 0.00 H new ATOM 719 N ILE A 50 -1.526 3.647 -6.381 1.00 0.00 N ATOM 720 CA ILE A 50 -2.853 4.242 -6.283 1.00 0.00 C ATOM 721 C ILE A 50 -2.952 5.507 -7.129 1.00 0.00 C ATOM 722 O ILE A 50 -1.947 6.165 -7.400 1.00 0.00 O ATOM 723 CB ILE A 50 -3.209 4.585 -4.824 1.00 0.00 C ATOM 724 CG1 ILE A 50 -3.324 3.306 -3.991 1.00 0.00 C ATOM 725 CG2 ILE A 50 -4.506 5.378 -4.769 1.00 0.00 C ATOM 726 CD1 ILE A 50 -3.472 3.564 -2.508 1.00 0.00 C ATOM 0 H ILE A 50 -0.806 4.132 -5.846 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.560 3.501 -6.657 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.412 5.199 -4.405 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.182 2.731 -4.339 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.439 2.692 -4.159 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.745 5.613 -3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.391 6.303 -5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.313 4.787 -5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.548 2.614 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.603 4.112 -2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.372 4.152 -2.329 1.00 0.00 H new ATOM 738 N ASP A 51 -4.169 5.842 -7.542 1.00 0.00 N ATOM 739 CA ASP A 51 -4.401 7.030 -8.355 1.00 0.00 C ATOM 740 C ASP A 51 -3.415 8.136 -7.994 1.00 0.00 C ATOM 741 O ASP A 51 -2.604 8.553 -8.822 1.00 0.00 O ATOM 742 CB ASP A 51 -5.835 7.529 -8.170 1.00 0.00 C ATOM 743 CG ASP A 51 -6.371 8.222 -9.407 1.00 0.00 C ATOM 744 OD1 ASP A 51 -5.847 9.301 -9.756 1.00 0.00 O ATOM 745 OD2 ASP A 51 -7.313 7.686 -10.027 1.00 0.00 O ATOM 0 H ASP A 51 -5.011 5.307 -7.327 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.250 6.760 -9.400 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.480 6.687 -7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.871 8.219 -7.327 1.00 0.00 H new ATOM 750 N ASP A 52 -3.490 8.608 -6.754 1.00 0.00 N ATOM 751 CA ASP A 52 -2.603 9.666 -6.284 1.00 0.00 C ATOM 752 C ASP A 52 -1.956 9.282 -4.957 1.00 0.00 C ATOM 753 O ASP A 52 -1.532 10.147 -4.190 1.00 0.00 O ATOM 754 CB ASP A 52 -3.376 10.977 -6.129 1.00 0.00 C ATOM 755 CG ASP A 52 -3.479 11.746 -7.431 1.00 0.00 C ATOM 756 OD1 ASP A 52 -2.450 11.874 -8.126 1.00 0.00 O ATOM 757 OD2 ASP A 52 -4.588 12.221 -7.754 1.00 0.00 O ATOM 0 H ASP A 52 -4.156 8.275 -6.057 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.816 9.803 -7.025 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.378 10.763 -5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.884 11.599 -5.381 1.00 0.00 H new ATOM 762 N GLU A 53 -1.885 7.982 -4.693 1.00 0.00 N ATOM 763 CA GLU A 53 -1.291 7.485 -3.457 1.00 0.00 C ATOM 764 C GLU A 53 -0.246 6.411 -3.749 1.00 0.00 C ATOM 765 O GLU A 53 -0.317 5.722 -4.766 1.00 0.00 O ATOM 766 CB GLU A 53 -2.374 6.921 -2.535 1.00 0.00 C ATOM 767 CG GLU A 53 -2.953 7.948 -1.577 1.00 0.00 C ATOM 768 CD GLU A 53 -4.103 7.397 -0.756 1.00 0.00 C ATOM 769 OE1 GLU A 53 -5.008 6.772 -1.348 1.00 0.00 O ATOM 770 OE2 GLU A 53 -4.098 7.591 0.477 1.00 0.00 O ATOM 0 H GLU A 53 -2.231 7.254 -5.318 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.799 8.320 -2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.179 6.510 -3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.956 6.095 -1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.168 8.297 -0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.297 8.814 -2.143 1.00 0.00 H new ATOM 777 N GLU A 54 0.723 6.277 -2.849 1.00 0.00 N ATOM 778 CA GLU A 54 1.783 5.289 -3.011 1.00 0.00 C ATOM 779 C GLU A 54 2.416 4.945 -1.665 1.00 0.00 C ATOM 780 O GLU A 54 2.633 5.819 -0.827 1.00 0.00 O ATOM 781 CB GLU A 54 2.854 5.809 -3.972 1.00 0.00 C ATOM 782 CG GLU A 54 2.307 6.215 -5.330 1.00 0.00 C ATOM 783 CD GLU A 54 3.398 6.626 -6.299 1.00 0.00 C ATOM 784 OE1 GLU A 54 4.499 6.039 -6.239 1.00 0.00 O ATOM 785 OE2 GLU A 54 3.151 7.536 -7.119 1.00 0.00 O ATOM 0 H GLU A 54 0.796 6.839 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 54 1.340 4.384 -3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.351 6.666 -3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.611 5.038 -4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.744 5.384 -5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.608 7.042 -5.204 1.00 0.00 H new ATOM 792 N GLY A 55 2.710 3.663 -1.467 1.00 0.00 N ATOM 793 CA GLY A 55 3.313 3.225 -0.222 1.00 0.00 C ATOM 794 C GLY A 55 3.154 1.735 0.007 1.00 0.00 C ATOM 795 O GLY A 55 2.845 0.987 -0.921 1.00 0.00 O ATOM 0 H GLY A 55 2.541 2.921 -2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.373 3.477 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.860 3.767 0.608 1.00 0.00 H new ATOM 799 N TRP A 56 3.367 1.302 1.244 1.00 0.00 N ATOM 800 CA TRP A 56 3.247 -0.109 1.591 1.00 0.00 C ATOM 801 C TRP A 56 1.886 -0.403 2.212 1.00 0.00 C ATOM 802 O TRP A 56 1.319 0.434 2.915 1.00 0.00 O ATOM 803 CB TRP A 56 4.361 -0.515 2.558 1.00 0.00 C ATOM 804 CG TRP A 56 5.605 -0.985 1.868 1.00 0.00 C ATOM 805 CD1 TRP A 56 5.732 -2.083 1.066 1.00 0.00 C ATOM 806 CD2 TRP A 56 6.898 -0.372 1.921 1.00 0.00 C ATOM 807 NE1 TRP A 56 7.026 -2.190 0.616 1.00 0.00 N ATOM 808 CE2 TRP A 56 7.761 -1.152 1.126 1.00 0.00 C ATOM 809 CE3 TRP A 56 7.410 0.760 2.560 1.00 0.00 C ATOM 810 CZ2 TRP A 56 9.106 -0.835 0.957 1.00 0.00 C ATOM 811 CZ3 TRP A 56 8.745 1.073 2.391 1.00 0.00 C ATOM 812 CH2 TRP A 56 9.581 0.279 1.594 1.00 0.00 C ATOM 0 H TRP A 56 3.624 1.908 2.024 1.00 0.00 H new ATOM 0 HA TRP A 56 3.341 -0.692 0.675 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.607 0.335 3.195 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.995 -1.307 3.211 1.00 0.00 H new ATOM 0 HD1 TRP A 56 4.933 -2.767 0.821 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.382 -2.923 0.002 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.774 1.379 3.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 9.752 -1.447 0.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 9.152 1.945 2.882 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.620 0.552 1.480 1.00 0.00 H new ATOM 823 N PHE A 57 1.366 -1.598 1.949 1.00 0.00 N ATOM 824 CA PHE A 57 0.070 -2.001 2.482 1.00 0.00 C ATOM 825 C PHE A 57 0.064 -3.486 2.833 1.00 0.00 C ATOM 826 O PHE A 57 0.757 -4.298 2.218 1.00 0.00 O ATOM 827 CB PHE A 57 -1.038 -1.701 1.470 1.00 0.00 C ATOM 828 CG PHE A 57 -1.012 -2.601 0.268 1.00 0.00 C ATOM 829 CD1 PHE A 57 -0.265 -2.264 -0.850 1.00 0.00 C ATOM 830 CD2 PHE A 57 -1.733 -3.783 0.255 1.00 0.00 C ATOM 831 CE1 PHE A 57 -0.240 -3.090 -1.957 1.00 0.00 C ATOM 832 CE2 PHE A 57 -1.711 -4.614 -0.849 1.00 0.00 C ATOM 833 CZ PHE A 57 -0.963 -4.267 -1.957 1.00 0.00 C ATOM 0 H PHE A 57 1.822 -2.303 1.370 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.114 -1.429 3.392 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.005 -1.795 1.964 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.948 -0.666 1.141 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.304 -1.346 -0.856 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.320 -4.059 1.119 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.345 -2.816 -2.822 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.278 -5.533 -0.845 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.943 -4.914 -2.821 1.00 0.00 H new ATOM 843 N PRO A 58 -0.735 -3.852 3.846 1.00 0.00 N ATOM 844 CA PRO A 58 -0.851 -5.240 4.302 1.00 0.00 C ATOM 845 C PRO A 58 -1.567 -6.126 3.288 1.00 0.00 C ATOM 846 O PRO A 58 -2.556 -5.716 2.682 1.00 0.00 O ATOM 847 CB PRO A 58 -1.675 -5.124 5.587 1.00 0.00 C ATOM 848 CG PRO A 58 -2.460 -3.868 5.421 1.00 0.00 C ATOM 849 CD PRO A 58 -1.589 -2.938 4.624 1.00 0.00 C ATOM 0 HA PRO A 58 0.125 -5.704 4.446 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.330 -5.986 5.717 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.033 -5.076 6.466 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.400 -4.061 4.904 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.711 -3.434 6.389 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.180 -2.291 3.976 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.998 -2.288 5.270 1.00 0.00 H new ATOM 857 N ALA A 59 -1.061 -7.341 3.110 1.00 0.00 N ATOM 858 CA ALA A 59 -1.654 -8.286 2.171 1.00 0.00 C ATOM 859 C ALA A 59 -2.799 -9.058 2.819 1.00 0.00 C ATOM 860 O ALA A 59 -3.551 -9.757 2.140 1.00 0.00 O ATOM 861 CB ALA A 59 -0.596 -9.246 1.649 1.00 0.00 C ATOM 0 H ALA A 59 -0.242 -7.695 3.604 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.060 -7.721 1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.053 -9.946 0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.187 -8.683 1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.162 -9.798 2.483 1.00 0.00 H new ATOM 867 N SER A 60 -2.924 -8.927 4.136 1.00 0.00 N ATOM 868 CA SER A 60 -3.975 -9.616 4.876 1.00 0.00 C ATOM 869 C SER A 60 -5.280 -8.828 4.826 1.00 0.00 C ATOM 870 O SER A 60 -6.365 -9.406 4.754 1.00 0.00 O ATOM 871 CB SER A 60 -3.549 -9.828 6.329 1.00 0.00 C ATOM 872 OG SER A 60 -4.481 -10.641 7.021 1.00 0.00 O ATOM 0 H SER A 60 -2.311 -8.350 4.712 1.00 0.00 H new ATOM 0 HA SER A 60 -4.139 -10.587 4.408 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.564 -10.294 6.358 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.461 -8.864 6.830 1.00 0.00 H new ATOM 0 HG SER A 60 -4.185 -10.763 7.947 1.00 0.00 H new ATOM 878 N PHE A 61 -5.167 -7.505 4.867 1.00 0.00 N ATOM 879 CA PHE A 61 -6.338 -6.636 4.828 1.00 0.00 C ATOM 880 C PHE A 61 -6.713 -6.293 3.390 1.00 0.00 C ATOM 881 O PHE A 61 -7.096 -5.162 3.089 1.00 0.00 O ATOM 882 CB PHE A 61 -6.073 -5.352 5.618 1.00 0.00 C ATOM 883 CG PHE A 61 -6.152 -5.537 7.107 1.00 0.00 C ATOM 884 CD1 PHE A 61 -6.053 -6.800 7.667 1.00 0.00 C ATOM 885 CD2 PHE A 61 -6.326 -4.447 7.945 1.00 0.00 C ATOM 886 CE1 PHE A 61 -6.126 -6.972 9.037 1.00 0.00 C ATOM 887 CE2 PHE A 61 -6.400 -4.614 9.315 1.00 0.00 C ATOM 888 CZ PHE A 61 -6.299 -5.878 9.862 1.00 0.00 C ATOM 0 H PHE A 61 -4.277 -7.011 4.927 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.171 -7.170 5.285 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.084 -4.973 5.359 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.795 -4.593 5.315 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.917 -7.659 7.027 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.405 -3.456 7.523 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.048 -7.962 9.462 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.537 -3.757 9.957 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.355 -6.011 10.932 1.00 0.00 H new ATOM 898 N VAL A 62 -6.600 -7.277 2.504 1.00 0.00 N ATOM 899 CA VAL A 62 -6.927 -7.081 1.097 1.00 0.00 C ATOM 900 C VAL A 62 -7.296 -8.401 0.430 1.00 0.00 C ATOM 901 O VAL A 62 -6.788 -9.460 0.800 1.00 0.00 O ATOM 902 CB VAL A 62 -5.754 -6.442 0.331 1.00 0.00 C ATOM 903 CG1 VAL A 62 -5.445 -5.060 0.884 1.00 0.00 C ATOM 904 CG2 VAL A 62 -4.526 -7.338 0.395 1.00 0.00 C ATOM 0 H VAL A 62 -6.284 -8.219 2.736 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.783 -6.407 1.062 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.042 -6.332 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.613 -4.624 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.323 -4.422 0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.177 -5.141 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.706 -6.871 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.234 -7.481 1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.757 -8.304 -0.053 1.00 0.00 H new ATOM 914 N ARG A 63 -8.184 -8.332 -0.557 1.00 0.00 N ATOM 915 CA ARG A 63 -8.622 -9.522 -1.276 1.00 0.00 C ATOM 916 C ARG A 63 -8.084 -9.523 -2.704 1.00 0.00 C ATOM 917 O ARG A 63 -8.222 -8.539 -3.432 1.00 0.00 O ATOM 918 CB ARG A 63 -10.150 -9.598 -1.296 1.00 0.00 C ATOM 919 CG ARG A 63 -10.743 -10.243 -0.054 1.00 0.00 C ATOM 920 CD ARG A 63 -10.426 -11.729 0.008 1.00 0.00 C ATOM 921 NE ARG A 63 -10.969 -12.453 -1.139 1.00 0.00 N ATOM 922 CZ ARG A 63 -10.851 -13.766 -1.302 1.00 0.00 C ATOM 923 NH1 ARG A 63 -10.213 -14.495 -0.397 1.00 0.00 N ATOM 924 NH2 ARG A 63 -11.372 -14.352 -2.373 1.00 0.00 N ATOM 0 H ARG A 63 -8.614 -7.464 -0.877 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.228 -10.395 -0.756 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.554 -8.591 -1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.466 -10.161 -2.174 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.352 -9.749 0.836 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.824 -10.100 -0.049 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.346 -11.868 0.046 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.834 -12.149 0.928 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.466 -11.921 -1.854 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.811 -14.048 0.427 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.124 -15.503 -0.525 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.863 -13.794 -3.071 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.281 -15.360 -2.498 1.00 0.00 H new ATOM 938 N LEU A 64 -7.470 -10.633 -3.098 1.00 0.00 N ATOM 939 CA LEU A 64 -6.910 -10.763 -4.439 1.00 0.00 C ATOM 940 C LEU A 64 -8.014 -10.946 -5.475 1.00 0.00 C ATOM 941 O LEU A 64 -9.015 -11.615 -5.217 1.00 0.00 O ATOM 942 CB LEU A 64 -5.940 -11.945 -4.496 1.00 0.00 C ATOM 943 CG LEU A 64 -4.526 -11.678 -3.980 1.00 0.00 C ATOM 944 CD1 LEU A 64 -3.719 -12.966 -3.945 1.00 0.00 C ATOM 945 CD2 LEU A 64 -3.832 -10.634 -4.843 1.00 0.00 C ATOM 0 H LEU A 64 -7.347 -11.456 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.369 -9.845 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.366 -12.767 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.870 -12.282 -5.530 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.597 -11.291 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.715 -12.757 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.207 -13.683 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.656 -13.383 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.827 -10.456 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.772 -10.993 -5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.400 -9.704 -4.816 1.00 0.00 H new ATOM 957 N TRP A 65 -7.824 -10.350 -6.646 1.00 0.00 N ATOM 958 CA TRP A 65 -8.804 -10.449 -7.722 1.00 0.00 C ATOM 959 C TRP A 65 -8.586 -11.717 -8.541 1.00 0.00 C ATOM 960 O TRP A 65 -9.010 -11.803 -9.693 1.00 0.00 O ATOM 961 CB TRP A 65 -8.722 -9.220 -8.629 1.00 0.00 C ATOM 962 CG TRP A 65 -9.617 -8.100 -8.193 1.00 0.00 C ATOM 963 CD1 TRP A 65 -10.211 -7.953 -6.972 1.00 0.00 C ATOM 964 CD2 TRP A 65 -10.020 -6.971 -8.976 1.00 0.00 C ATOM 965 NE1 TRP A 65 -10.959 -6.801 -6.949 1.00 0.00 N ATOM 966 CE2 TRP A 65 -10.858 -6.180 -8.166 1.00 0.00 C ATOM 967 CE3 TRP A 65 -9.754 -6.551 -10.282 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -11.430 -4.995 -8.621 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -10.322 -5.374 -10.732 1.00 0.00 C ATOM 970 CH2 TRP A 65 -11.152 -4.607 -9.904 1.00 0.00 C ATOM 0 H TRP A 65 -7.001 -9.793 -6.875 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.796 -10.495 -7.274 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.692 -8.864 -8.654 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.984 -9.510 -9.647 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -10.108 -8.641 -6.146 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -11.502 -6.463 -6.154 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -9.116 -7.136 -10.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -12.070 -4.403 -7.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -10.123 -5.040 -11.739 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -11.581 -3.692 -10.285 1.00 0.00 H new ATOM 981 N VAL A 66 -7.922 -12.698 -7.939 1.00 0.00 N ATOM 982 CA VAL A 66 -7.649 -13.962 -8.613 1.00 0.00 C ATOM 983 C VAL A 66 -7.941 -15.147 -7.699 1.00 0.00 C ATOM 984 O VAL A 66 -7.814 -15.049 -6.480 1.00 0.00 O ATOM 985 CB VAL A 66 -6.185 -14.041 -9.086 1.00 0.00 C ATOM 986 CG1 VAL A 66 -5.890 -15.409 -9.683 1.00 0.00 C ATOM 987 CG2 VAL A 66 -5.889 -12.937 -10.090 1.00 0.00 C ATOM 0 H VAL A 66 -7.563 -12.642 -6.986 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.307 -14.006 -9.481 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.534 -13.900 -8.223 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.851 -15.446 -10.012 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.060 -16.179 -8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.547 -15.583 -10.535 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.850 -13.008 -10.413 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.546 -13.044 -10.953 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.058 -11.966 -9.624 1.00 0.00 H new ATOM 997 N ASN A 67 -8.332 -16.267 -8.299 1.00 0.00 N ATOM 998 CA ASN A 67 -8.643 -17.472 -7.538 1.00 0.00 C ATOM 999 C ASN A 67 -7.704 -18.612 -7.919 1.00 0.00 C ATOM 1000 O ASN A 67 -7.889 -19.264 -8.947 1.00 0.00 O ATOM 1001 CB ASN A 67 -10.095 -17.890 -7.777 1.00 0.00 C ATOM 1002 CG ASN A 67 -10.529 -17.678 -9.214 1.00 0.00 C ATOM 1003 OD1 ASN A 67 -9.780 -17.960 -10.149 1.00 0.00 O ATOM 1004 ND2 ASN A 67 -11.746 -17.177 -9.397 1.00 0.00 N ATOM 0 H ASN A 67 -8.441 -16.365 -9.308 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.506 -17.250 -6.480 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -10.215 -18.941 -7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.748 -17.320 -7.115 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.093 -17.012 -10.342 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.333 -16.958 -8.593 1.00 0.00 H new ATOM 1011 N GLN A 68 -6.698 -18.848 -7.083 1.00 0.00 N ATOM 1012 CA GLN A 68 -5.731 -19.910 -7.332 1.00 0.00 C ATOM 1013 C GLN A 68 -6.379 -21.282 -7.185 1.00 0.00 C ATOM 1014 O GLN A 68 -7.358 -21.441 -6.456 1.00 0.00 O ATOM 1015 CB GLN A 68 -4.547 -19.786 -6.372 1.00 0.00 C ATOM 1016 CG GLN A 68 -3.308 -20.535 -6.833 1.00 0.00 C ATOM 1017 CD GLN A 68 -2.235 -20.605 -5.764 1.00 0.00 C ATOM 1018 OE1 GLN A 68 -1.895 -21.684 -5.279 1.00 0.00 O ATOM 1019 NE2 GLN A 68 -1.695 -19.450 -5.391 1.00 0.00 N ATOM 0 H GLN A 68 -6.532 -18.318 -6.228 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.372 -19.807 -8.356 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -4.299 -18.732 -6.249 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -4.844 -20.160 -5.392 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.588 -21.546 -7.127 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.902 -20.046 -7.719 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.007 -18.579 -5.820 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.968 -19.434 -4.676 1.00 0.00 H new ATOM 1028 N GLU A 69 -5.826 -22.271 -7.881 1.00 0.00 N ATOM 1029 CA GLU A 69 -6.352 -23.629 -7.827 1.00 0.00 C ATOM 1030 C GLU A 69 -5.492 -24.511 -6.926 1.00 0.00 C ATOM 1031 O GLU A 69 -4.427 -24.096 -6.467 1.00 0.00 O ATOM 1032 CB GLU A 69 -6.419 -24.230 -9.233 1.00 0.00 C ATOM 1033 CG GLU A 69 -7.385 -25.397 -9.351 1.00 0.00 C ATOM 1034 CD GLU A 69 -7.825 -25.647 -10.781 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -8.076 -24.661 -11.505 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -7.918 -26.828 -11.175 1.00 0.00 O ATOM 0 H GLU A 69 -5.014 -22.157 -8.488 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.358 -23.585 -7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.714 -23.452 -9.938 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.423 -24.563 -9.524 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.912 -26.297 -8.958 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.262 -25.202 -8.734 1.00 0.00 H new ATOM 1043 N ASP A 70 -5.961 -25.728 -6.677 1.00 0.00 N ATOM 1044 CA ASP A 70 -5.236 -26.669 -5.831 1.00 0.00 C ATOM 1045 C ASP A 70 -4.591 -25.952 -4.649 1.00 0.00 C ATOM 1046 O ASP A 70 -3.441 -26.218 -4.302 1.00 0.00 O ATOM 1047 CB ASP A 70 -4.167 -27.400 -6.645 1.00 0.00 C ATOM 1048 CG ASP A 70 -3.213 -26.446 -7.336 1.00 0.00 C ATOM 1049 OD1 ASP A 70 -2.347 -25.870 -6.646 1.00 0.00 O ATOM 1050 OD2 ASP A 70 -3.333 -26.275 -8.568 1.00 0.00 O ATOM 0 H ASP A 70 -6.840 -26.087 -7.049 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.950 -27.397 -5.445 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.602 -28.061 -5.987 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.650 -28.030 -7.392 1.00 0.00 H new ATOM 1055 N GLU A 71 -5.340 -25.041 -4.036 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.840 -24.284 -2.894 1.00 0.00 C ATOM 1057 C GLU A 71 -4.814 -25.149 -1.637 1.00 0.00 C ATOM 1058 O GLU A 71 -5.852 -25.407 -1.027 1.00 0.00 O ATOM 1059 CB GLU A 71 -5.705 -23.045 -2.657 1.00 0.00 C ATOM 1060 CG GLU A 71 -5.230 -21.816 -3.413 1.00 0.00 C ATOM 1061 CD GLU A 71 -6.142 -20.621 -3.217 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -7.339 -20.727 -3.558 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -5.660 -19.580 -2.724 1.00 0.00 O ATOM 0 H GLU A 71 -6.295 -24.809 -4.311 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.821 -23.969 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.731 -23.267 -2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.720 -22.822 -1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.224 -21.558 -3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.167 -22.050 -4.476 1.00 0.00 H new ATOM 1070 N VAL A 72 -3.621 -25.595 -1.257 1.00 0.00 N ATOM 1071 CA VAL A 72 -3.459 -26.431 -0.073 1.00 0.00 C ATOM 1072 C VAL A 72 -4.611 -27.420 0.063 1.00 0.00 C ATOM 1073 O VAL A 72 -5.007 -27.777 1.172 1.00 0.00 O ATOM 1074 CB VAL A 72 -3.374 -25.579 1.207 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.689 -24.857 1.457 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -2.998 -26.446 2.399 1.00 0.00 C ATOM 0 H VAL A 72 -2.752 -25.392 -1.752 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.526 -26.980 -0.198 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.595 -24.828 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.609 -24.260 2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.912 -24.205 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.489 -25.588 1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.942 -25.828 3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.753 -27.220 2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.029 -26.912 2.219 1.00 0.00 H new ATOM 1086 N GLU A 73 -5.145 -27.858 -1.073 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.253 -28.807 -1.079 1.00 0.00 C ATOM 1088 C GLU A 73 -5.839 -30.131 -0.444 1.00 0.00 C ATOM 1089 O GLU A 73 -4.745 -30.635 -0.693 1.00 0.00 O ATOM 1090 CB GLU A 73 -6.741 -29.045 -2.509 1.00 0.00 C ATOM 1091 CG GLU A 73 -8.136 -29.643 -2.585 1.00 0.00 C ATOM 1092 CD GLU A 73 -8.340 -30.494 -3.823 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -7.356 -31.105 -4.291 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -9.482 -30.548 -4.325 1.00 0.00 O ATOM 0 H GLU A 73 -4.829 -27.572 -2.000 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.066 -28.381 -0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.731 -28.099 -3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.042 -29.710 -3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.316 -30.250 -1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.873 -28.840 -2.576 1.00 0.00 H new ATOM 1101 N GLU A 74 -6.723 -30.688 0.379 1.00 0.00 N ATOM 1102 CA GLU A 74 -6.448 -31.952 1.051 1.00 0.00 C ATOM 1103 C GLU A 74 -7.452 -33.022 0.629 1.00 0.00 C ATOM 1104 O GLU A 74 -7.084 -34.167 0.373 1.00 0.00 O ATOM 1105 CB GLU A 74 -6.491 -31.768 2.569 1.00 0.00 C ATOM 1106 CG GLU A 74 -7.826 -31.256 3.083 1.00 0.00 C ATOM 1107 CD GLU A 74 -7.748 -30.756 4.512 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -7.590 -31.592 5.426 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -7.845 -29.528 4.717 1.00 0.00 O ATOM 0 H GLU A 74 -7.634 -30.284 0.596 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.450 -32.279 0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.268 -32.721 3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.706 -31.072 2.864 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.174 -30.449 2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.565 -32.055 3.021 1.00 0.00 H new ATOM 1116 N GLY A 75 -8.723 -32.638 0.559 1.00 0.00 N ATOM 1117 CA GLY A 75 -9.760 -33.574 0.169 1.00 0.00 C ATOM 1118 C GLY A 75 -11.012 -33.438 1.012 1.00 0.00 C ATOM 1119 O GLY A 75 -11.894 -32.638 0.701 1.00 0.00 O ATOM 0 H GLY A 75 -9.053 -31.695 0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.013 -33.415 -0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.377 -34.591 0.254 1.00 0.00 H new ATOM 1123 N SER A 76 -11.091 -34.221 2.083 1.00 0.00 N ATOM 1124 CA SER A 76 -12.247 -34.188 2.971 1.00 0.00 C ATOM 1125 C SER A 76 -11.866 -33.630 4.339 1.00 0.00 C ATOM 1126 O SER A 76 -11.251 -34.317 5.153 1.00 0.00 O ATOM 1127 CB SER A 76 -12.838 -35.591 3.127 1.00 0.00 C ATOM 1128 OG SER A 76 -13.890 -35.599 4.076 1.00 0.00 O ATOM 0 H SER A 76 -10.368 -34.886 2.357 1.00 0.00 H new ATOM 0 HA SER A 76 -12.996 -33.533 2.526 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.210 -35.941 2.164 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.058 -36.285 3.439 1.00 0.00 H new ATOM 0 HG SER A 76 -14.251 -36.506 4.156 1.00 0.00 H new ATOM 1134 N GLY A 77 -12.236 -32.376 4.583 1.00 0.00 N ATOM 1135 CA GLY A 77 -11.924 -31.745 5.852 1.00 0.00 C ATOM 1136 C GLY A 77 -13.126 -31.672 6.774 1.00 0.00 C ATOM 1137 O GLY A 77 -14.267 -31.539 6.331 1.00 0.00 O ATOM 0 H GLY A 77 -12.746 -31.787 3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.126 -32.301 6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.547 -30.738 5.671 1.00 0.00 H new ATOM 1141 N PRO A 78 -12.875 -31.762 8.088 1.00 0.00 N ATOM 1142 CA PRO A 78 -13.932 -31.709 9.102 1.00 0.00 C ATOM 1143 C PRO A 78 -14.556 -30.322 9.216 1.00 0.00 C ATOM 1144 O PRO A 78 -14.189 -29.403 8.484 1.00 0.00 O ATOM 1145 CB PRO A 78 -13.202 -32.075 10.396 1.00 0.00 C ATOM 1146 CG PRO A 78 -11.783 -31.691 10.152 1.00 0.00 C ATOM 1147 CD PRO A 78 -11.538 -31.921 8.686 1.00 0.00 C ATOM 0 HA PRO A 78 -14.761 -32.375 8.862 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.616 -31.538 11.250 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.292 -33.139 10.614 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.610 -30.648 10.418 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.106 -32.292 10.760 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -10.828 -31.201 8.279 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -11.129 -32.914 8.498 1.00 0.00 H new ATOM 1155 N SER A 79 -15.502 -30.178 10.139 1.00 0.00 N ATOM 1156 CA SER A 79 -16.179 -28.903 10.347 1.00 0.00 C ATOM 1157 C SER A 79 -16.273 -28.574 11.834 1.00 0.00 C ATOM 1158 O SER A 79 -16.805 -29.356 12.622 1.00 0.00 O ATOM 1159 CB SER A 79 -17.579 -28.940 9.732 1.00 0.00 C ATOM 1160 OG SER A 79 -18.399 -29.892 10.386 1.00 0.00 O ATOM 0 H SER A 79 -15.817 -30.928 10.754 1.00 0.00 H new ATOM 0 HA SER A 79 -15.594 -28.124 9.857 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.036 -27.953 9.802 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.508 -29.184 8.672 1.00 0.00 H new ATOM 0 HG SER A 79 -18.138 -29.956 11.328 1.00 0.00 H new ATOM 1166 N SER A 80 -15.752 -27.411 12.210 1.00 0.00 N ATOM 1167 CA SER A 80 -15.773 -26.979 13.603 1.00 0.00 C ATOM 1168 C SER A 80 -17.115 -26.345 13.955 1.00 0.00 C ATOM 1169 O SER A 80 -17.832 -25.856 13.082 1.00 0.00 O ATOM 1170 CB SER A 80 -14.641 -25.983 13.867 1.00 0.00 C ATOM 1171 OG SER A 80 -14.325 -25.926 15.247 1.00 0.00 O ATOM 0 H SER A 80 -15.310 -26.751 11.570 1.00 0.00 H new ATOM 0 HA SER A 80 -15.629 -27.857 14.232 1.00 0.00 H new ATOM 0 HB2 SER A 80 -13.757 -26.274 13.300 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.934 -24.993 13.516 1.00 0.00 H new ATOM 0 HG SER A 80 -13.598 -25.284 15.390 1.00 0.00 H new ATOM 1177 N GLY A 81 -17.450 -26.357 15.242 1.00 0.00 N ATOM 1178 CA GLY A 81 -18.705 -25.781 15.688 1.00 0.00 C ATOM 1179 C GLY A 81 -19.599 -26.797 16.370 1.00 0.00 C ATOM 1180 O GLY A 81 -19.471 -27.039 17.571 1.00 0.00 O ATOM 0 H GLY A 81 -16.874 -26.756 15.984 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -18.501 -24.961 16.377 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -19.230 -25.355 14.833 1.00 0.00 H new TER 1184 GLY A 81