USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 GLN : amide:sc= 0.953 K(o=0.78,f=-0.22) USER MOD Set 1.2: A 77 MET CE :methyl -146:sc= -0.17 (180deg=-2.01!) USER MOD Set 2.1: A 47 MET CE :methyl 180:sc= -0.4 (180deg=-0.399) USER MOD Set 2.2: A 56 HIS : no HD1:sc= 1.38 K(o=0.97,f=-7.7!) USER MOD Set 3.1: A 1 GLY N :NH3+ -148:sc= 0.129 (180deg=0) USER MOD Set 3.2: A 3 SER OG : rot 180:sc= 0.123 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.00158 USER MOD Single : A 13 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 14 GLN : amide:sc= 0.963 K(o=0.96,f=-0.11) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -146:sc= 1.3 (180deg=1.05) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.729 K(o=0.73,f=-0.84) USER MOD Single : A 45 THR OG1 : rot -78:sc= 0.175 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 49 LYS NZ :NH3+ -150:sc= 2.43 (180deg=1.53) USER MOD Single : A 53 THR OG1 : rot -55:sc= 0.708 USER MOD Single : A 55 GLN : amide:sc= 0.798 K(o=0.8,f=-0.011) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -170:sc= 0 (180deg=-0.112) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 164:sc= 1.25 (180deg=1.19) USER MOD Single : A 90 ASN : amide:sc= 0.203 K(o=0.2,f=-1.6!) USER MOD Single : A 91 LYS NZ :NH3+ -148:sc= 1.32 (180deg=0.93) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= 0.254 K(o=0.25,f=-2.8!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -101:sc= 0.885 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.210 -0.606 28.345 1.00 0.00 N ATOM 2 CA GLY A 1 23.248 0.504 27.368 1.00 0.00 C ATOM 3 C GLY A 1 23.423 -0.028 25.957 1.00 0.00 C ATOM 4 O GLY A 1 24.306 -0.853 25.716 1.00 0.00 O ATOM 0 H1 GLY A 1 22.591 -0.348 29.140 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.842 -1.462 27.883 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.170 -0.789 28.700 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.327 1.083 27.432 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.067 1.181 27.611 1.00 0.00 H new ATOM 10 N SER A 2 22.577 0.422 25.018 1.00 0.00 N ATOM 11 CA SER A 2 22.519 -0.067 23.622 1.00 0.00 C ATOM 12 C SER A 2 22.371 -1.599 23.514 1.00 0.00 C ATOM 13 O SER A 2 22.980 -2.250 22.662 1.00 0.00 O ATOM 14 CB SER A 2 23.690 0.482 22.788 1.00 0.00 C ATOM 15 OG SER A 2 23.717 1.904 22.837 1.00 0.00 O ATOM 0 H SER A 2 21.894 1.155 25.208 1.00 0.00 H new ATOM 0 HA SER A 2 21.601 0.332 23.190 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.631 0.082 23.165 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.594 0.150 21.754 1.00 0.00 H new ATOM 0 HG SER A 2 24.469 2.236 22.303 1.00 0.00 H new ATOM 21 N SER A 3 21.580 -2.180 24.422 1.00 0.00 N ATOM 22 CA SER A 3 21.421 -3.625 24.647 1.00 0.00 C ATOM 23 C SER A 3 19.960 -4.007 24.932 1.00 0.00 C ATOM 24 O SER A 3 19.125 -3.147 25.229 1.00 0.00 O ATOM 25 CB SER A 3 22.339 -4.071 25.797 1.00 0.00 C ATOM 26 OG SER A 3 22.088 -3.332 26.989 1.00 0.00 O ATOM 0 H SER A 3 21.002 -1.627 25.055 1.00 0.00 H new ATOM 0 HA SER A 3 21.709 -4.145 23.733 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.191 -5.134 25.990 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.380 -3.943 25.502 1.00 0.00 H new ATOM 0 HG SER A 3 22.688 -3.643 27.699 1.00 0.00 H new ATOM 32 N GLY A 4 19.624 -5.298 24.807 1.00 0.00 N ATOM 33 CA GLY A 4 18.276 -5.827 25.080 1.00 0.00 C ATOM 34 C GLY A 4 17.167 -5.251 24.183 1.00 0.00 C ATOM 35 O GLY A 4 16.012 -5.172 24.607 1.00 0.00 O ATOM 0 H GLY A 4 20.286 -6.015 24.510 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.295 -6.910 24.962 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.025 -5.624 26.121 1.00 0.00 H new ATOM 39 N SER A 5 17.522 -4.784 22.979 1.00 0.00 N ATOM 40 CA SER A 5 16.664 -4.014 22.055 1.00 0.00 C ATOM 41 C SER A 5 16.076 -2.715 22.647 1.00 0.00 C ATOM 42 O SER A 5 15.067 -2.201 22.156 1.00 0.00 O ATOM 43 CB SER A 5 15.595 -4.909 21.402 1.00 0.00 C ATOM 44 OG SER A 5 16.197 -6.025 20.758 1.00 0.00 O ATOM 0 H SER A 5 18.457 -4.937 22.601 1.00 0.00 H new ATOM 0 HA SER A 5 17.330 -3.662 21.267 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.892 -5.256 22.160 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.023 -4.330 20.677 1.00 0.00 H new ATOM 0 HG SER A 5 15.501 -6.582 20.351 1.00 0.00 H new ATOM 50 N SER A 6 16.702 -2.163 23.694 1.00 0.00 N ATOM 51 CA SER A 6 16.343 -0.873 24.301 1.00 0.00 C ATOM 52 C SER A 6 16.896 0.320 23.498 1.00 0.00 C ATOM 53 O SER A 6 17.808 0.170 22.679 1.00 0.00 O ATOM 54 CB SER A 6 16.823 -0.838 25.757 1.00 0.00 C ATOM 55 OG SER A 6 16.209 0.234 26.456 1.00 0.00 O ATOM 0 H SER A 6 17.493 -2.612 24.155 1.00 0.00 H new ATOM 0 HA SER A 6 15.257 -0.778 24.283 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.587 -1.783 26.247 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.907 -0.726 25.786 1.00 0.00 H new ATOM 0 HG SER A 6 16.524 0.242 27.384 1.00 0.00 H new ATOM 61 N GLY A 7 16.353 1.519 23.733 1.00 0.00 N ATOM 62 CA GLY A 7 16.710 2.744 23.009 1.00 0.00 C ATOM 63 C GLY A 7 16.060 2.818 21.612 1.00 0.00 C ATOM 64 O GLY A 7 14.834 2.674 21.521 1.00 0.00 O ATOM 0 H GLY A 7 15.639 1.668 24.446 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.403 3.610 23.595 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.794 2.797 22.905 1.00 0.00 H new ATOM 68 N PRO A 8 16.821 3.076 20.527 1.00 0.00 N ATOM 69 CA PRO A 8 16.272 3.263 19.181 1.00 0.00 C ATOM 70 C PRO A 8 15.686 1.975 18.572 1.00 0.00 C ATOM 71 O PRO A 8 16.046 0.855 18.946 1.00 0.00 O ATOM 72 CB PRO A 8 17.431 3.816 18.344 1.00 0.00 C ATOM 73 CG PRO A 8 18.663 3.217 19.019 1.00 0.00 C ATOM 74 CD PRO A 8 18.272 3.214 20.496 1.00 0.00 C ATOM 0 HA PRO A 8 15.423 3.946 19.207 1.00 0.00 H new ATOM 0 HB2 PRO A 8 17.355 3.512 17.300 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.454 4.906 18.357 1.00 0.00 H new ATOM 0 HG2 PRO A 8 18.875 2.212 18.655 1.00 0.00 H new ATOM 0 HG3 PRO A 8 19.555 3.817 18.838 1.00 0.00 H new ATOM 0 HD2 PRO A 8 18.754 2.392 21.025 1.00 0.00 H new ATOM 0 HD3 PRO A 8 18.587 4.136 20.985 1.00 0.00 H new ATOM 82 N ILE A 9 14.789 2.148 17.597 1.00 0.00 N ATOM 83 CA ILE A 9 14.113 1.063 16.866 1.00 0.00 C ATOM 84 C ILE A 9 15.052 0.279 15.928 1.00 0.00 C ATOM 85 O ILE A 9 16.054 0.805 15.435 1.00 0.00 O ATOM 86 CB ILE A 9 12.845 1.553 16.140 1.00 0.00 C ATOM 87 CG1 ILE A 9 13.093 2.484 14.936 1.00 0.00 C ATOM 88 CG2 ILE A 9 11.831 2.151 17.132 1.00 0.00 C ATOM 89 CD1 ILE A 9 13.616 3.903 15.206 1.00 0.00 C ATOM 0 H ILE A 9 14.502 3.075 17.282 1.00 0.00 H new ATOM 0 HA ILE A 9 13.793 0.351 17.627 1.00 0.00 H new ATOM 0 HB ILE A 9 12.413 0.657 15.695 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.803 1.989 14.274 1.00 0.00 H new ATOM 0 HG13 ILE A 9 12.155 2.574 14.387 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.947 2.488 16.590 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.543 1.392 17.860 1.00 0.00 H new ATOM 0 HG23 ILE A 9 12.284 2.997 17.649 1.00 0.00 H new ATOM 0 HD11 ILE A 9 13.739 4.432 14.261 1.00 0.00 H new ATOM 0 HD12 ILE A 9 12.904 4.440 15.832 1.00 0.00 H new ATOM 0 HD13 ILE A 9 14.577 3.845 15.717 1.00 0.00 H new ATOM 101 N SER A 10 14.709 -0.985 15.663 1.00 0.00 N ATOM 102 CA SER A 10 15.501 -1.940 14.864 1.00 0.00 C ATOM 103 C SER A 10 15.150 -1.983 13.363 1.00 0.00 C ATOM 104 O SER A 10 15.817 -2.679 12.594 1.00 0.00 O ATOM 105 CB SER A 10 15.373 -3.337 15.485 1.00 0.00 C ATOM 106 OG SER A 10 14.008 -3.726 15.567 1.00 0.00 O ATOM 0 H SER A 10 13.840 -1.392 16.010 1.00 0.00 H new ATOM 0 HA SER A 10 16.531 -1.586 14.897 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.927 -4.059 14.885 1.00 0.00 H new ATOM 0 HB3 SER A 10 15.818 -3.341 16.480 1.00 0.00 H new ATOM 0 HG SER A 10 13.946 -4.620 15.964 1.00 0.00 H new ATOM 112 N GLU A 11 14.127 -1.240 12.925 1.00 0.00 N ATOM 113 CA GLU A 11 13.640 -1.183 11.538 1.00 0.00 C ATOM 114 C GLU A 11 13.295 0.260 11.125 1.00 0.00 C ATOM 115 O GLU A 11 12.841 1.067 11.941 1.00 0.00 O ATOM 116 CB GLU A 11 12.434 -2.138 11.389 1.00 0.00 C ATOM 117 CG GLU A 11 11.622 -2.056 10.084 1.00 0.00 C ATOM 118 CD GLU A 11 12.386 -2.469 8.807 1.00 0.00 C ATOM 119 OE1 GLU A 11 11.830 -3.247 7.994 1.00 0.00 O ATOM 120 OE2 GLU A 11 13.518 -1.979 8.582 1.00 0.00 O ATOM 0 H GLU A 11 13.593 -0.637 13.551 1.00 0.00 H new ATOM 0 HA GLU A 11 14.429 -1.511 10.861 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.798 -3.160 11.495 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.754 -1.954 12.221 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.741 -2.691 10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.266 -1.033 9.960 1.00 0.00 H new ATOM 127 N ARG A 12 13.485 0.585 9.840 1.00 0.00 N ATOM 128 CA ARG A 12 13.162 1.889 9.238 1.00 0.00 C ATOM 129 C ARG A 12 11.656 1.986 8.963 1.00 0.00 C ATOM 130 O ARG A 12 11.185 1.653 7.875 1.00 0.00 O ATOM 131 CB ARG A 12 14.017 2.107 7.971 1.00 0.00 C ATOM 132 CG ARG A 12 15.541 2.052 8.197 1.00 0.00 C ATOM 133 CD ARG A 12 16.045 3.087 9.213 1.00 0.00 C ATOM 134 NE ARG A 12 17.517 3.042 9.348 1.00 0.00 N ATOM 135 CZ ARG A 12 18.413 3.684 8.618 1.00 0.00 C ATOM 136 NH1 ARG A 12 18.079 4.471 7.633 1.00 0.00 N ATOM 137 NH2 ARG A 12 19.683 3.545 8.868 1.00 0.00 N ATOM 0 H ARG A 12 13.880 -0.072 9.167 1.00 0.00 H new ATOM 0 HA ARG A 12 13.408 2.691 9.934 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.747 1.351 7.234 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.763 3.076 7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.814 1.054 8.540 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.048 2.211 7.245 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.738 4.085 8.900 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.584 2.901 10.183 1.00 0.00 H new ATOM 0 HE ARG A 12 17.884 2.446 10.091 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.095 4.609 7.402 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.802 4.948 7.094 1.00 0.00 H new ATOM 0 HH21 ARG A 12 19.990 2.939 9.629 1.00 0.00 H new ATOM 0 HH22 ARG A 12 20.371 4.042 8.303 1.00 0.00 H new ATOM 151 N ASN A 13 10.902 2.415 9.978 1.00 0.00 N ATOM 152 CA ASN A 13 9.435 2.427 10.026 1.00 0.00 C ATOM 153 C ASN A 13 8.795 1.047 9.773 1.00 0.00 C ATOM 154 O ASN A 13 8.622 0.278 10.720 1.00 0.00 O ATOM 155 CB ASN A 13 8.857 3.585 9.180 1.00 0.00 C ATOM 156 CG ASN A 13 8.862 4.898 9.940 1.00 0.00 C ATOM 157 OD1 ASN A 13 9.697 5.769 9.737 1.00 0.00 O ATOM 158 ND2 ASN A 13 7.933 5.067 10.853 1.00 0.00 N ATOM 0 H ASN A 13 11.318 2.783 10.834 1.00 0.00 H new ATOM 0 HA ASN A 13 9.144 2.640 11.055 1.00 0.00 H new ATOM 0 HB2 ASN A 13 9.440 3.693 8.265 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.837 3.342 8.881 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.904 5.929 11.398 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.240 4.337 11.017 1.00 0.00 H new ATOM 165 N GLN A 14 8.410 0.739 8.526 1.00 0.00 N ATOM 166 CA GLN A 14 7.615 -0.437 8.115 1.00 0.00 C ATOM 167 C GLN A 14 6.191 -0.519 8.726 1.00 0.00 C ATOM 168 O GLN A 14 5.395 -1.380 8.354 1.00 0.00 O ATOM 169 CB GLN A 14 8.449 -1.716 8.329 1.00 0.00 C ATOM 170 CG GLN A 14 8.243 -2.800 7.263 1.00 0.00 C ATOM 171 CD GLN A 14 8.872 -2.415 5.926 1.00 0.00 C ATOM 172 OE1 GLN A 14 8.206 -1.981 4.995 1.00 0.00 O ATOM 173 NE2 GLN A 14 10.174 -2.539 5.782 1.00 0.00 N ATOM 0 H GLN A 14 8.655 1.331 7.733 1.00 0.00 H new ATOM 0 HA GLN A 14 7.404 -0.323 7.052 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.505 -1.445 8.354 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.204 -2.134 9.305 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.677 -3.738 7.611 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.176 -2.974 7.125 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.740 -2.899 6.550 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.617 -2.275 4.902 1.00 0.00 H new ATOM 182 N ASP A 15 5.842 0.409 9.620 1.00 0.00 N ATOM 183 CA ASP A 15 4.522 0.623 10.220 1.00 0.00 C ATOM 184 C ASP A 15 3.691 1.648 9.426 1.00 0.00 C ATOM 185 O ASP A 15 2.509 1.431 9.167 1.00 0.00 O ATOM 186 CB ASP A 15 4.712 1.054 11.688 1.00 0.00 C ATOM 187 CG ASP A 15 5.438 2.404 11.892 1.00 0.00 C ATOM 188 OD1 ASP A 15 5.166 3.082 12.908 1.00 0.00 O ATOM 189 OD2 ASP A 15 6.285 2.788 11.049 1.00 0.00 O ATOM 0 H ASP A 15 6.525 1.081 9.970 1.00 0.00 H new ATOM 0 HA ASP A 15 3.957 -0.309 10.188 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.732 1.112 12.162 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.272 0.277 12.208 1.00 0.00 H new ATOM 194 N ALA A 16 4.328 2.730 8.968 1.00 0.00 N ATOM 195 CA ALA A 16 3.761 3.691 8.022 1.00 0.00 C ATOM 196 C ALA A 16 3.830 3.207 6.555 1.00 0.00 C ATOM 197 O ALA A 16 3.315 3.872 5.655 1.00 0.00 O ATOM 198 CB ALA A 16 4.447 5.044 8.240 1.00 0.00 C ATOM 0 H ALA A 16 5.278 2.966 9.254 1.00 0.00 H new ATOM 0 HA ALA A 16 2.694 3.797 8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.038 5.776 7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.273 5.380 9.262 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.519 4.940 8.070 1.00 0.00 H new ATOM 204 N THR A 17 4.437 2.043 6.298 1.00 0.00 N ATOM 205 CA THR A 17 4.394 1.358 4.995 1.00 0.00 C ATOM 206 C THR A 17 3.232 0.365 4.972 1.00 0.00 C ATOM 207 O THR A 17 3.061 -0.420 5.908 1.00 0.00 O ATOM 208 CB THR A 17 5.724 0.658 4.653 1.00 0.00 C ATOM 209 OG1 THR A 17 6.816 1.501 4.950 1.00 0.00 O ATOM 210 CG2 THR A 17 5.832 0.300 3.165 1.00 0.00 C ATOM 0 H THR A 17 4.981 1.540 6.999 1.00 0.00 H new ATOM 0 HA THR A 17 4.238 2.115 4.227 1.00 0.00 H new ATOM 0 HB THR A 17 5.745 -0.253 5.251 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.653 1.042 4.729 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.787 -0.191 2.977 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.019 -0.373 2.893 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.767 1.209 2.567 1.00 0.00 H new ATOM 218 N VAL A 18 2.441 0.369 3.898 1.00 0.00 N ATOM 219 CA VAL A 18 1.372 -0.607 3.635 1.00 0.00 C ATOM 220 C VAL A 18 1.795 -1.594 2.549 1.00 0.00 C ATOM 221 O VAL A 18 2.517 -1.234 1.620 1.00 0.00 O ATOM 222 CB VAL A 18 0.015 0.053 3.302 1.00 0.00 C ATOM 223 CG1 VAL A 18 -0.406 1.026 4.406 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.008 0.827 1.982 1.00 0.00 C ATOM 0 H VAL A 18 2.526 1.071 3.163 1.00 0.00 H new ATOM 0 HA VAL A 18 1.216 -1.158 4.563 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.676 -0.786 3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.364 1.477 4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.501 0.487 5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.347 1.807 4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.998 1.256 1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.733 1.626 2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.225 0.151 1.160 1.00 0.00 H new ATOM 234 N TYR A 19 1.318 -2.830 2.659 1.00 0.00 N ATOM 235 CA TYR A 19 1.407 -3.883 1.647 1.00 0.00 C ATOM 236 C TYR A 19 0.120 -3.906 0.812 1.00 0.00 C ATOM 237 O TYR A 19 -0.971 -3.724 1.355 1.00 0.00 O ATOM 238 CB TYR A 19 1.632 -5.228 2.358 1.00 0.00 C ATOM 239 CG TYR A 19 1.352 -6.454 1.505 1.00 0.00 C ATOM 240 CD1 TYR A 19 2.343 -6.963 0.643 1.00 0.00 C ATOM 241 CD2 TYR A 19 0.088 -7.075 1.563 1.00 0.00 C ATOM 242 CE1 TYR A 19 2.077 -8.103 -0.140 1.00 0.00 C ATOM 243 CE2 TYR A 19 -0.186 -8.207 0.771 1.00 0.00 C ATOM 244 CZ TYR A 19 0.813 -8.728 -0.081 1.00 0.00 C ATOM 245 OH TYR A 19 0.570 -9.832 -0.839 1.00 0.00 O ATOM 0 H TYR A 19 0.833 -3.143 3.500 1.00 0.00 H new ATOM 0 HA TYR A 19 2.242 -3.695 0.972 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.665 -5.272 2.704 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.997 -5.266 3.243 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.307 -6.479 0.583 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.675 -6.681 2.218 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.844 -8.501 -0.788 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.158 -8.676 0.815 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.347 -10.141 -0.682 1.00 0.00 H new ATOM 255 N VAL A 20 0.247 -4.158 -0.492 1.00 0.00 N ATOM 256 CA VAL A 20 -0.855 -4.263 -1.459 1.00 0.00 C ATOM 257 C VAL A 20 -0.654 -5.508 -2.324 1.00 0.00 C ATOM 258 O VAL A 20 0.224 -5.531 -3.185 1.00 0.00 O ATOM 259 CB VAL A 20 -0.940 -3.007 -2.348 1.00 0.00 C ATOM 260 CG1 VAL A 20 -2.201 -3.096 -3.214 1.00 0.00 C ATOM 261 CG2 VAL A 20 -0.989 -1.697 -1.550 1.00 0.00 C ATOM 0 H VAL A 20 1.159 -4.301 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.792 -4.345 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.032 -2.985 -2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.271 -2.212 -3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.151 -3.987 -3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.080 -3.153 -2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.048 -0.854 -2.238 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.865 -1.698 -0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.088 -1.607 -0.943 1.00 0.00 H new ATOM 271 N GLY A 21 -1.472 -6.539 -2.120 1.00 0.00 N ATOM 272 CA GLY A 21 -1.469 -7.768 -2.919 1.00 0.00 C ATOM 273 C GLY A 21 -2.619 -7.827 -3.927 1.00 0.00 C ATOM 274 O GLY A 21 -3.696 -7.284 -3.684 1.00 0.00 O ATOM 0 H GLY A 21 -2.172 -6.545 -1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.521 -7.846 -3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.532 -8.628 -2.253 1.00 0.00 H new ATOM 278 N GLY A 22 -2.404 -8.523 -5.044 1.00 0.00 N ATOM 279 CA GLY A 22 -3.430 -8.812 -6.059 1.00 0.00 C ATOM 280 C GLY A 22 -3.506 -7.771 -7.181 1.00 0.00 C ATOM 281 O GLY A 22 -4.592 -7.463 -7.674 1.00 0.00 O ATOM 0 H GLY A 22 -1.491 -8.913 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.228 -9.789 -6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.402 -8.876 -5.570 1.00 0.00 H new ATOM 285 N LEU A 23 -2.360 -7.199 -7.558 1.00 0.00 N ATOM 286 CA LEU A 23 -2.238 -6.091 -8.501 1.00 0.00 C ATOM 287 C LEU A 23 -2.297 -6.573 -9.955 1.00 0.00 C ATOM 288 O LEU A 23 -1.783 -7.641 -10.297 1.00 0.00 O ATOM 289 CB LEU A 23 -0.931 -5.325 -8.212 1.00 0.00 C ATOM 290 CG LEU A 23 -0.892 -4.641 -6.834 1.00 0.00 C ATOM 291 CD1 LEU A 23 0.438 -3.928 -6.634 1.00 0.00 C ATOM 292 CD2 LEU A 23 -2.019 -3.618 -6.694 1.00 0.00 C ATOM 0 H LEU A 23 -1.457 -7.509 -7.199 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.085 -5.418 -8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.093 -6.018 -8.285 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.788 -4.569 -8.984 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.016 -5.418 -6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.450 -3.449 -5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.251 -4.651 -6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.566 -3.172 -7.409 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.966 -3.151 -5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.915 -2.854 -7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.981 -4.118 -6.807 1.00 0.00 H new ATOM 304 N ASP A 24 -2.899 -5.759 -10.821 1.00 0.00 N ATOM 305 CA ASP A 24 -3.001 -6.028 -12.257 1.00 0.00 C ATOM 306 C ASP A 24 -1.724 -5.619 -13.020 1.00 0.00 C ATOM 307 O ASP A 24 -0.983 -4.736 -12.585 1.00 0.00 O ATOM 308 CB ASP A 24 -4.248 -5.309 -12.796 1.00 0.00 C ATOM 309 CG ASP A 24 -4.484 -5.587 -14.281 1.00 0.00 C ATOM 310 OD1 ASP A 24 -4.003 -4.795 -15.122 1.00 0.00 O ATOM 311 OD2 ASP A 24 -5.132 -6.606 -14.609 1.00 0.00 O ATOM 0 H ASP A 24 -3.336 -4.881 -10.542 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.102 -7.102 -12.415 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.122 -5.626 -12.226 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.140 -4.235 -12.643 1.00 0.00 H new ATOM 316 N GLU A 25 -1.462 -6.214 -14.186 1.00 0.00 N ATOM 317 CA GLU A 25 -0.289 -5.901 -15.023 1.00 0.00 C ATOM 318 C GLU A 25 -0.191 -4.426 -15.477 1.00 0.00 C ATOM 319 O GLU A 25 0.905 -3.960 -15.800 1.00 0.00 O ATOM 320 CB GLU A 25 -0.242 -6.859 -16.227 1.00 0.00 C ATOM 321 CG GLU A 25 -1.413 -6.698 -17.209 1.00 0.00 C ATOM 322 CD GLU A 25 -1.291 -7.699 -18.375 1.00 0.00 C ATOM 323 OE1 GLU A 25 -1.798 -8.841 -18.259 1.00 0.00 O ATOM 324 OE2 GLU A 25 -0.692 -7.349 -19.423 1.00 0.00 O ATOM 0 H GLU A 25 -2.062 -6.936 -14.585 1.00 0.00 H new ATOM 0 HA GLU A 25 0.586 -6.050 -14.390 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.693 -6.702 -16.765 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.230 -7.885 -15.860 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.356 -6.855 -16.686 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.430 -5.680 -17.598 1.00 0.00 H new ATOM 331 N LYS A 26 -1.301 -3.670 -15.461 1.00 0.00 N ATOM 332 CA LYS A 26 -1.343 -2.225 -15.762 1.00 0.00 C ATOM 333 C LYS A 26 -0.959 -1.322 -14.575 1.00 0.00 C ATOM 334 O LYS A 26 -0.795 -0.114 -14.755 1.00 0.00 O ATOM 335 CB LYS A 26 -2.733 -1.865 -16.320 1.00 0.00 C ATOM 336 CG LYS A 26 -2.999 -2.556 -17.670 1.00 0.00 C ATOM 337 CD LYS A 26 -4.364 -2.195 -18.275 1.00 0.00 C ATOM 338 CE LYS A 26 -5.576 -2.626 -17.434 1.00 0.00 C ATOM 339 NZ LYS A 26 -5.632 -4.096 -17.228 1.00 0.00 N ATOM 0 H LYS A 26 -2.218 -4.054 -15.233 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.577 -2.031 -16.513 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.500 -2.158 -15.603 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.808 -0.785 -16.443 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.213 -2.281 -18.373 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.942 -3.636 -17.535 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.407 -1.116 -18.422 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.442 -2.654 -19.261 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.537 -2.128 -16.465 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.491 -2.296 -17.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.625 -4.405 -17.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.140 -4.575 -18.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.170 -4.338 -16.328 1.00 0.00 H new ATOM 353 N VAL A 27 -0.799 -1.876 -13.370 1.00 0.00 N ATOM 354 CA VAL A 27 -0.382 -1.148 -12.154 1.00 0.00 C ATOM 355 C VAL A 27 1.131 -0.894 -12.153 1.00 0.00 C ATOM 356 O VAL A 27 1.911 -1.777 -12.513 1.00 0.00 O ATOM 357 CB VAL A 27 -0.808 -1.916 -10.883 1.00 0.00 C ATOM 358 CG1 VAL A 27 -0.441 -1.175 -9.594 1.00 0.00 C ATOM 359 CG2 VAL A 27 -2.326 -2.139 -10.846 1.00 0.00 C ATOM 0 H VAL A 27 -0.959 -2.869 -13.202 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.884 -0.181 -12.154 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.271 -2.863 -10.932 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.764 -1.761 -8.733 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.639 -1.032 -9.551 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.936 -0.204 -9.579 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.592 -2.682 -9.939 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.836 -1.176 -10.855 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.630 -2.718 -11.718 1.00 0.00 H new ATOM 369 N SER A 28 1.559 0.295 -11.708 1.00 0.00 N ATOM 370 CA SER A 28 2.979 0.626 -11.479 1.00 0.00 C ATOM 371 C SER A 28 3.169 1.552 -10.266 1.00 0.00 C ATOM 372 O SER A 28 2.208 2.125 -9.758 1.00 0.00 O ATOM 373 CB SER A 28 3.568 1.242 -12.754 1.00 0.00 C ATOM 374 OG SER A 28 4.983 1.300 -12.664 1.00 0.00 O ATOM 0 H SER A 28 0.925 1.065 -11.493 1.00 0.00 H new ATOM 0 HA SER A 28 3.515 -0.294 -11.246 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.276 0.649 -13.621 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.165 2.244 -12.902 1.00 0.00 H new ATOM 0 HG SER A 28 5.347 1.693 -13.484 1.00 0.00 H new ATOM 380 N GLU A 29 4.402 1.725 -9.787 1.00 0.00 N ATOM 381 CA GLU A 29 4.730 2.570 -8.623 1.00 0.00 C ATOM 382 C GLU A 29 4.217 4.025 -8.734 1.00 0.00 C ATOM 383 O GLU A 29 3.607 4.494 -7.767 1.00 0.00 O ATOM 384 CB GLU A 29 6.256 2.540 -8.385 1.00 0.00 C ATOM 385 CG GLU A 29 6.695 1.291 -7.614 1.00 0.00 C ATOM 386 CD GLU A 29 8.141 0.879 -7.957 1.00 0.00 C ATOM 387 OE1 GLU A 29 9.038 1.008 -7.091 1.00 0.00 O ATOM 388 OE2 GLU A 29 8.381 0.373 -9.081 1.00 0.00 O ATOM 0 H GLU A 29 5.220 1.276 -10.200 1.00 0.00 H new ATOM 0 HA GLU A 29 4.204 2.148 -7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.773 2.574 -9.344 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.554 3.430 -7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.616 1.479 -6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.019 0.467 -7.843 1.00 0.00 H new ATOM 395 N PRO A 30 4.342 4.736 -9.879 1.00 0.00 N ATOM 396 CA PRO A 30 3.769 6.077 -10.033 1.00 0.00 C ATOM 397 C PRO A 30 2.238 6.102 -9.922 1.00 0.00 C ATOM 398 O PRO A 30 1.680 7.084 -9.428 1.00 0.00 O ATOM 399 CB PRO A 30 4.229 6.579 -11.408 1.00 0.00 C ATOM 400 CG PRO A 30 5.493 5.767 -11.678 1.00 0.00 C ATOM 401 CD PRO A 30 5.144 4.420 -11.055 1.00 0.00 C ATOM 0 HA PRO A 30 4.114 6.720 -9.224 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.471 6.408 -12.172 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.434 7.649 -11.397 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.703 5.681 -12.744 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.372 6.215 -11.215 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.588 3.796 -11.754 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.043 3.869 -10.781 1.00 0.00 H new ATOM 409 N LEU A 31 1.554 5.019 -10.327 1.00 0.00 N ATOM 410 CA LEU A 31 0.111 4.877 -10.133 1.00 0.00 C ATOM 411 C LEU A 31 -0.199 4.749 -8.645 1.00 0.00 C ATOM 412 O LEU A 31 -0.987 5.533 -8.128 1.00 0.00 O ATOM 413 CB LEU A 31 -0.439 3.661 -10.898 1.00 0.00 C ATOM 414 CG LEU A 31 -1.970 3.513 -10.793 1.00 0.00 C ATOM 415 CD1 LEU A 31 -2.663 4.531 -11.685 1.00 0.00 C ATOM 416 CD2 LEU A 31 -2.363 2.117 -11.260 1.00 0.00 C ATOM 0 H LEU A 31 1.988 4.224 -10.795 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.377 5.768 -10.529 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.161 3.746 -11.948 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.033 2.756 -10.515 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.271 3.675 -9.758 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.743 4.414 -11.600 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.382 5.537 -11.375 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.361 4.373 -12.720 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.445 2.001 -11.190 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.049 1.978 -12.295 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.877 1.372 -10.630 1.00 0.00 H new ATOM 428 N LEU A 32 0.438 3.789 -7.959 1.00 0.00 N ATOM 429 CA LEU A 32 0.183 3.531 -6.539 1.00 0.00 C ATOM 430 C LEU A 32 0.373 4.790 -5.697 1.00 0.00 C ATOM 431 O LEU A 32 -0.466 5.093 -4.858 1.00 0.00 O ATOM 432 CB LEU A 32 1.108 2.424 -5.997 1.00 0.00 C ATOM 433 CG LEU A 32 0.930 1.039 -6.627 1.00 0.00 C ATOM 434 CD1 LEU A 32 1.719 -0.004 -5.840 1.00 0.00 C ATOM 435 CD2 LEU A 32 -0.532 0.605 -6.625 1.00 0.00 C ATOM 0 H LEU A 32 1.140 3.174 -8.372 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.854 3.205 -6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.142 2.738 -6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.948 2.337 -4.922 1.00 0.00 H new ATOM 0 HG LEU A 32 1.290 1.110 -7.653 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.584 -0.984 -6.298 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.777 0.258 -5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.360 -0.032 -4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.619 -0.382 -7.080 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.898 0.566 -5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.125 1.321 -7.195 1.00 0.00 H new ATOM 447 N TRP A 33 1.430 5.554 -5.965 1.00 0.00 N ATOM 448 CA TRP A 33 1.721 6.798 -5.261 1.00 0.00 C ATOM 449 C TRP A 33 0.555 7.785 -5.368 1.00 0.00 C ATOM 450 O TRP A 33 -0.065 8.129 -4.363 1.00 0.00 O ATOM 451 CB TRP A 33 3.017 7.379 -5.834 1.00 0.00 C ATOM 452 CG TRP A 33 3.733 8.395 -5.004 1.00 0.00 C ATOM 453 CD1 TRP A 33 3.199 9.425 -4.307 1.00 0.00 C ATOM 454 CD2 TRP A 33 5.169 8.469 -4.790 1.00 0.00 C ATOM 455 NE1 TRP A 33 4.212 10.116 -3.662 1.00 0.00 N ATOM 456 CE2 TRP A 33 5.451 9.573 -3.935 1.00 0.00 C ATOM 457 CE3 TRP A 33 6.257 7.702 -5.252 1.00 0.00 C ATOM 458 CZ2 TRP A 33 6.758 9.900 -3.552 1.00 0.00 C ATOM 459 CZ3 TRP A 33 7.577 8.020 -4.873 1.00 0.00 C ATOM 460 CH2 TRP A 33 7.827 9.118 -4.027 1.00 0.00 C ATOM 0 H TRP A 33 2.115 5.323 -6.685 1.00 0.00 H new ATOM 0 HA TRP A 33 1.853 6.602 -4.197 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.703 6.553 -6.024 1.00 0.00 H new ATOM 0 HB3 TRP A 33 2.787 7.831 -6.799 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.148 9.670 -4.261 1.00 0.00 H new ATOM 0 HE1 TRP A 33 4.061 10.926 -3.060 1.00 0.00 H new ATOM 0 HE3 TRP A 33 6.077 6.860 -5.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 6.943 10.741 -2.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 8.400 7.420 -5.233 1.00 0.00 H new ATOM 0 HH2 TRP A 33 8.840 9.360 -3.743 1.00 0.00 H new ATOM 471 N GLU A 34 0.213 8.196 -6.590 1.00 0.00 N ATOM 472 CA GLU A 34 -0.852 9.175 -6.849 1.00 0.00 C ATOM 473 C GLU A 34 -2.257 8.678 -6.466 1.00 0.00 C ATOM 474 O GLU A 34 -3.105 9.476 -6.062 1.00 0.00 O ATOM 475 CB GLU A 34 -0.830 9.587 -8.329 1.00 0.00 C ATOM 476 CG GLU A 34 0.433 10.382 -8.671 1.00 0.00 C ATOM 477 CD GLU A 34 0.311 11.059 -10.050 1.00 0.00 C ATOM 478 OE1 GLU A 34 0.685 10.444 -11.079 1.00 0.00 O ATOM 479 OE2 GLU A 34 -0.156 12.223 -10.118 1.00 0.00 O ATOM 0 H GLU A 34 0.669 7.858 -7.437 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.645 10.033 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.882 8.697 -8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.711 10.188 -8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.608 11.139 -7.906 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.297 9.717 -8.665 1.00 0.00 H new ATOM 486 N LEU A 35 -2.501 7.369 -6.541 1.00 0.00 N ATOM 487 CA LEU A 35 -3.765 6.742 -6.138 1.00 0.00 C ATOM 488 C LEU A 35 -3.943 6.741 -4.607 1.00 0.00 C ATOM 489 O LEU A 35 -5.057 6.924 -4.120 1.00 0.00 O ATOM 490 CB LEU A 35 -3.813 5.307 -6.702 1.00 0.00 C ATOM 491 CG LEU A 35 -5.222 4.707 -6.792 1.00 0.00 C ATOM 492 CD1 LEU A 35 -5.977 5.204 -8.025 1.00 0.00 C ATOM 493 CD2 LEU A 35 -5.152 3.183 -6.827 1.00 0.00 C ATOM 0 H LEU A 35 -1.814 6.700 -6.890 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.591 7.324 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.367 5.306 -7.696 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.197 4.663 -6.075 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.764 5.032 -5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.970 4.754 -8.050 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.071 6.289 -7.981 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.429 4.923 -8.925 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.160 2.774 -6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.576 2.865 -7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.670 2.820 -5.919 1.00 0.00 H new ATOM 505 N PHE A 36 -2.862 6.561 -3.841 1.00 0.00 N ATOM 506 CA PHE A 36 -2.882 6.457 -2.376 1.00 0.00 C ATOM 507 C PHE A 36 -2.764 7.819 -1.667 1.00 0.00 C ATOM 508 O PHE A 36 -3.092 7.910 -0.483 1.00 0.00 O ATOM 509 CB PHE A 36 -1.814 5.450 -1.919 1.00 0.00 C ATOM 510 CG PHE A 36 -2.240 3.984 -1.956 1.00 0.00 C ATOM 511 CD1 PHE A 36 -2.332 3.243 -0.761 1.00 0.00 C ATOM 512 CD2 PHE A 36 -2.523 3.339 -3.178 1.00 0.00 C ATOM 513 CE1 PHE A 36 -2.723 1.891 -0.784 1.00 0.00 C ATOM 514 CE2 PHE A 36 -2.886 1.980 -3.206 1.00 0.00 C ATOM 515 CZ PHE A 36 -3.005 1.261 -2.007 1.00 0.00 C ATOM 0 H PHE A 36 -1.923 6.481 -4.232 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.861 6.083 -2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.932 5.571 -2.548 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.516 5.699 -0.901 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.100 3.717 0.181 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.460 3.894 -4.102 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.806 1.338 0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.073 1.490 -4.150 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.313 0.226 -2.025 1.00 0.00 H new ATOM 525 N LEU A 37 -2.418 8.897 -2.388 1.00 0.00 N ATOM 526 CA LEU A 37 -2.493 10.287 -1.894 1.00 0.00 C ATOM 527 C LEU A 37 -3.873 10.678 -1.321 1.00 0.00 C ATOM 528 O LEU A 37 -3.977 11.600 -0.510 1.00 0.00 O ATOM 529 CB LEU A 37 -2.134 11.257 -3.036 1.00 0.00 C ATOM 530 CG LEU A 37 -0.642 11.401 -3.374 1.00 0.00 C ATOM 531 CD1 LEU A 37 -0.461 12.441 -4.480 1.00 0.00 C ATOM 532 CD2 LEU A 37 0.190 11.840 -2.171 1.00 0.00 C ATOM 0 H LEU A 37 -2.073 8.830 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.781 10.355 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.657 10.932 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.522 12.243 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.296 10.418 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.598 12.540 -4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.003 12.123 -5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.849 13.402 -4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.236 11.926 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.168 12.806 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.096 11.102 -1.375 1.00 0.00 H new ATOM 544 N GLN A 38 -4.931 9.967 -1.721 1.00 0.00 N ATOM 545 CA GLN A 38 -6.305 10.131 -1.216 1.00 0.00 C ATOM 546 C GLN A 38 -6.428 9.808 0.282 1.00 0.00 C ATOM 547 O GLN A 38 -7.246 10.410 0.981 1.00 0.00 O ATOM 548 CB GLN A 38 -7.263 9.218 -1.998 1.00 0.00 C ATOM 549 CG GLN A 38 -7.177 9.443 -3.511 1.00 0.00 C ATOM 550 CD GLN A 38 -8.189 8.596 -4.276 1.00 0.00 C ATOM 551 OE1 GLN A 38 -9.325 8.988 -4.513 1.00 0.00 O ATOM 552 NE2 GLN A 38 -7.820 7.400 -4.681 1.00 0.00 N ATOM 0 H GLN A 38 -4.856 9.236 -2.429 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.568 11.179 -1.357 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.032 8.176 -1.774 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.285 9.397 -1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.348 10.497 -3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.171 9.204 -3.856 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.876 7.065 -4.488 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.478 6.808 -5.188 1.00 0.00 H new ATOM 561 N ALA A 39 -5.616 8.867 0.776 1.00 0.00 N ATOM 562 CA ALA A 39 -5.571 8.499 2.192 1.00 0.00 C ATOM 563 C ALA A 39 -4.750 9.490 3.037 1.00 0.00 C ATOM 564 O ALA A 39 -5.184 9.904 4.114 1.00 0.00 O ATOM 565 CB ALA A 39 -4.990 7.091 2.304 1.00 0.00 C ATOM 0 H ALA A 39 -4.966 8.335 0.197 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.586 8.530 2.589 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.948 6.797 3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.622 6.392 1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.985 7.078 1.883 1.00 0.00 H new ATOM 571 N GLY A 40 -3.576 9.880 2.536 1.00 0.00 N ATOM 572 CA GLY A 40 -2.669 10.828 3.184 1.00 0.00 C ATOM 573 C GLY A 40 -1.387 11.079 2.376 1.00 0.00 C ATOM 574 O GLY A 40 -1.264 10.592 1.252 1.00 0.00 O ATOM 0 H GLY A 40 -3.221 9.535 1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.188 11.774 3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.402 10.450 4.171 1.00 0.00 H new ATOM 578 N PRO A 41 -0.415 11.828 2.925 1.00 0.00 N ATOM 579 CA PRO A 41 0.838 12.154 2.246 1.00 0.00 C ATOM 580 C PRO A 41 1.708 10.905 2.029 1.00 0.00 C ATOM 581 O PRO A 41 2.239 10.318 2.979 1.00 0.00 O ATOM 582 CB PRO A 41 1.517 13.207 3.129 1.00 0.00 C ATOM 583 CG PRO A 41 0.954 12.924 4.522 1.00 0.00 C ATOM 584 CD PRO A 41 -0.471 12.458 4.231 1.00 0.00 C ATOM 0 HA PRO A 41 0.669 12.543 1.242 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.602 13.109 3.108 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.282 14.219 2.799 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.530 12.159 5.042 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.967 13.814 5.151 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.817 11.757 4.990 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.166 13.298 4.232 1.00 0.00 H new ATOM 592 N VAL A 42 1.865 10.515 0.761 1.00 0.00 N ATOM 593 CA VAL A 42 2.739 9.418 0.319 1.00 0.00 C ATOM 594 C VAL A 42 4.154 9.951 0.078 1.00 0.00 C ATOM 595 O VAL A 42 4.350 10.970 -0.589 1.00 0.00 O ATOM 596 CB VAL A 42 2.190 8.708 -0.935 1.00 0.00 C ATOM 597 CG1 VAL A 42 3.121 7.576 -1.389 1.00 0.00 C ATOM 598 CG2 VAL A 42 0.806 8.097 -0.688 1.00 0.00 C ATOM 0 H VAL A 42 1.374 10.965 -0.011 1.00 0.00 H new ATOM 0 HA VAL A 42 2.770 8.669 1.111 1.00 0.00 H new ATOM 0 HB VAL A 42 2.122 9.476 -1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.705 7.096 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.103 7.985 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.217 6.841 -0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.457 7.607 -1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.870 7.365 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.106 8.884 -0.408 1.00 0.00 H new ATOM 608 N VAL A 43 5.137 9.241 0.627 1.00 0.00 N ATOM 609 CA VAL A 43 6.560 9.613 0.692 1.00 0.00 C ATOM 610 C VAL A 43 7.407 8.790 -0.284 1.00 0.00 C ATOM 611 O VAL A 43 8.400 9.289 -0.816 1.00 0.00 O ATOM 612 CB VAL A 43 7.084 9.400 2.133 1.00 0.00 C ATOM 613 CG1 VAL A 43 8.444 10.064 2.371 1.00 0.00 C ATOM 614 CG2 VAL A 43 6.139 9.965 3.198 1.00 0.00 C ATOM 0 H VAL A 43 4.958 8.338 1.065 1.00 0.00 H new ATOM 0 HA VAL A 43 6.645 10.662 0.410 1.00 0.00 H new ATOM 0 HB VAL A 43 7.162 8.317 2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.763 9.882 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.179 9.645 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.359 11.137 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.558 9.786 4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.016 11.037 3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.169 9.474 3.121 1.00 0.00 H new ATOM 624 N ASN A 44 7.033 7.523 -0.495 1.00 0.00 N ATOM 625 CA ASN A 44 7.758 6.533 -1.299 1.00 0.00 C ATOM 626 C ASN A 44 6.821 5.365 -1.714 1.00 0.00 C ATOM 627 O ASN A 44 5.735 5.194 -1.158 1.00 0.00 O ATOM 628 CB ASN A 44 8.980 6.092 -0.460 1.00 0.00 C ATOM 629 CG ASN A 44 9.769 4.936 -1.045 1.00 0.00 C ATOM 630 OD1 ASN A 44 10.167 4.959 -2.202 1.00 0.00 O ATOM 631 ND2 ASN A 44 10.000 3.895 -0.279 1.00 0.00 N ATOM 0 H ASN A 44 6.177 7.143 -0.091 1.00 0.00 H new ATOM 0 HA ASN A 44 8.110 6.948 -2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.648 6.945 -0.340 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.637 5.812 0.536 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.516 3.095 -0.647 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.664 3.886 0.684 1.00 0.00 H new ATOM 638 N THR A 45 7.245 4.543 -2.676 1.00 0.00 N ATOM 639 CA THR A 45 6.577 3.301 -3.128 1.00 0.00 C ATOM 640 C THR A 45 7.603 2.192 -3.402 1.00 0.00 C ATOM 641 O THR A 45 8.788 2.470 -3.601 1.00 0.00 O ATOM 642 CB THR A 45 5.748 3.517 -4.410 1.00 0.00 C ATOM 643 OG1 THR A 45 6.456 4.298 -5.346 1.00 0.00 O ATOM 644 CG2 THR A 45 4.394 4.174 -4.174 1.00 0.00 C ATOM 0 H THR A 45 8.105 4.726 -3.192 1.00 0.00 H new ATOM 0 HA THR A 45 5.909 3.006 -2.319 1.00 0.00 H new ATOM 0 HB THR A 45 5.568 2.512 -4.793 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.416 5.241 -5.082 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.875 4.290 -5.125 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.798 3.549 -3.509 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.539 5.154 -3.718 1.00 0.00 H new ATOM 652 N HIS A 46 7.166 0.927 -3.424 1.00 0.00 N ATOM 653 CA HIS A 46 7.991 -0.212 -3.843 1.00 0.00 C ATOM 654 C HIS A 46 7.162 -1.231 -4.634 1.00 0.00 C ATOM 655 O HIS A 46 6.008 -1.484 -4.296 1.00 0.00 O ATOM 656 CB HIS A 46 8.646 -0.867 -2.615 1.00 0.00 C ATOM 657 CG HIS A 46 9.661 -1.936 -2.955 1.00 0.00 C ATOM 658 ND1 HIS A 46 10.463 -1.973 -4.100 1.00 0.00 N ATOM 659 CD2 HIS A 46 9.932 -3.035 -2.195 1.00 0.00 C ATOM 660 CE1 HIS A 46 11.204 -3.090 -3.999 1.00 0.00 C ATOM 661 NE2 HIS A 46 10.908 -3.744 -2.863 1.00 0.00 N ATOM 0 H HIS A 46 6.220 0.663 -3.149 1.00 0.00 H new ATOM 0 HA HIS A 46 8.778 0.153 -4.503 1.00 0.00 H new ATOM 0 HB2 HIS A 46 9.133 -0.094 -2.020 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.867 -1.305 -1.991 1.00 0.00 H new ATOM 0 HD2 HIS A 46 9.472 -3.299 -1.254 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.933 -3.415 -4.727 1.00 0.00 H new ATOM 0 HE2 HIS A 46 11.333 -4.616 -2.548 1.00 0.00 H new ATOM 669 N MET A 47 7.752 -1.849 -5.655 1.00 0.00 N ATOM 670 CA MET A 47 7.192 -2.985 -6.398 1.00 0.00 C ATOM 671 C MET A 47 8.327 -3.963 -6.729 1.00 0.00 C ATOM 672 O MET A 47 9.112 -3.679 -7.638 1.00 0.00 O ATOM 673 CB MET A 47 6.513 -2.505 -7.694 1.00 0.00 C ATOM 674 CG MET A 47 5.080 -2.015 -7.484 1.00 0.00 C ATOM 675 SD MET A 47 3.861 -3.345 -7.510 1.00 0.00 S ATOM 676 CE MET A 47 2.875 -2.774 -8.907 1.00 0.00 C ATOM 0 H MET A 47 8.667 -1.565 -6.004 1.00 0.00 H new ATOM 0 HA MET A 47 6.438 -3.481 -5.787 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.105 -1.699 -8.128 1.00 0.00 H new ATOM 0 HB3 MET A 47 6.508 -3.321 -8.416 1.00 0.00 H new ATOM 0 HG2 MET A 47 5.018 -1.493 -6.529 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.834 -1.290 -8.260 1.00 0.00 H new ATOM 0 HE1 MET A 47 2.058 -3.473 -9.085 1.00 0.00 H new ATOM 0 HE2 MET A 47 2.467 -1.788 -8.686 1.00 0.00 H new ATOM 0 HE3 MET A 47 3.503 -2.716 -9.796 1.00 0.00 H new ATOM 686 N PRO A 48 8.438 -5.106 -6.029 1.00 0.00 N ATOM 687 CA PRO A 48 9.368 -6.177 -6.387 1.00 0.00 C ATOM 688 C PRO A 48 9.153 -6.671 -7.829 1.00 0.00 C ATOM 689 O PRO A 48 8.010 -6.856 -8.260 1.00 0.00 O ATOM 690 CB PRO A 48 9.134 -7.276 -5.344 1.00 0.00 C ATOM 691 CG PRO A 48 8.648 -6.490 -4.126 1.00 0.00 C ATOM 692 CD PRO A 48 7.789 -5.398 -4.760 1.00 0.00 C ATOM 0 HA PRO A 48 10.403 -5.836 -6.374 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.392 -8.001 -5.680 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.047 -7.831 -5.129 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.072 -7.115 -3.443 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.477 -6.074 -3.554 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.764 -5.737 -4.909 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.743 -4.513 -4.126 1.00 0.00 H new ATOM 700 N LYS A 49 10.245 -6.851 -8.588 1.00 0.00 N ATOM 701 CA LYS A 49 10.227 -7.158 -10.033 1.00 0.00 C ATOM 702 C LYS A 49 10.690 -8.584 -10.353 1.00 0.00 C ATOM 703 O LYS A 49 11.596 -9.125 -9.717 1.00 0.00 O ATOM 704 CB LYS A 49 11.075 -6.146 -10.833 1.00 0.00 C ATOM 705 CG LYS A 49 10.744 -4.655 -10.646 1.00 0.00 C ATOM 706 CD LYS A 49 9.274 -4.291 -10.924 1.00 0.00 C ATOM 707 CE LYS A 49 9.032 -2.774 -11.032 1.00 0.00 C ATOM 708 NZ LYS A 49 9.555 -2.022 -9.863 1.00 0.00 N ATOM 0 H LYS A 49 11.189 -6.786 -8.208 1.00 0.00 H new ATOM 0 HA LYS A 49 9.183 -7.077 -10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.121 -6.297 -10.568 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.977 -6.384 -11.892 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.990 -4.366 -9.624 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.382 -4.068 -11.306 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.958 -4.769 -11.851 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.650 -4.696 -10.127 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.505 -2.399 -11.940 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.962 -2.588 -11.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.975 -1.173 -9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.517 -2.625 -9.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.540 -1.741 -10.043 1.00 0.00 H new ATOM 722 N ASP A 50 10.097 -9.165 -11.390 1.00 0.00 N ATOM 723 CA ASP A 50 10.486 -10.441 -11.996 1.00 0.00 C ATOM 724 C ASP A 50 11.846 -10.354 -12.726 1.00 0.00 C ATOM 725 O ASP A 50 12.162 -9.339 -13.352 1.00 0.00 O ATOM 726 CB ASP A 50 9.376 -10.866 -12.966 1.00 0.00 C ATOM 727 CG ASP A 50 9.721 -12.182 -13.660 1.00 0.00 C ATOM 728 OD1 ASP A 50 9.579 -13.259 -13.037 1.00 0.00 O ATOM 729 OD2 ASP A 50 10.199 -12.110 -14.813 1.00 0.00 O ATOM 0 H ASP A 50 9.294 -8.742 -11.856 1.00 0.00 H new ATOM 0 HA ASP A 50 10.611 -11.183 -11.207 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.437 -10.974 -12.423 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.225 -10.087 -13.713 1.00 0.00 H new ATOM 734 N ARG A 51 12.641 -11.432 -12.688 1.00 0.00 N ATOM 735 CA ARG A 51 14.017 -11.479 -13.230 1.00 0.00 C ATOM 736 C ARG A 51 14.146 -11.884 -14.711 1.00 0.00 C ATOM 737 O ARG A 51 15.267 -12.080 -15.186 1.00 0.00 O ATOM 738 CB ARG A 51 14.920 -12.298 -12.288 1.00 0.00 C ATOM 739 CG ARG A 51 14.606 -13.804 -12.282 1.00 0.00 C ATOM 740 CD ARG A 51 15.554 -14.578 -11.357 1.00 0.00 C ATOM 741 NE ARG A 51 15.378 -14.220 -9.932 1.00 0.00 N ATOM 742 CZ ARG A 51 14.502 -14.723 -9.078 1.00 0.00 C ATOM 743 NH1 ARG A 51 13.638 -15.636 -9.421 1.00 0.00 N ATOM 744 NH2 ARG A 51 14.478 -14.309 -7.844 1.00 0.00 N ATOM 0 H ARG A 51 12.345 -12.316 -12.273 1.00 0.00 H new ATOM 0 HA ARG A 51 14.369 -10.448 -13.252 1.00 0.00 H new ATOM 0 HB2 ARG A 51 15.960 -12.154 -12.581 1.00 0.00 H new ATOM 0 HB3 ARG A 51 14.818 -11.911 -11.274 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.576 -13.960 -11.960 1.00 0.00 H new ATOM 0 HG3 ARG A 51 14.686 -14.196 -13.296 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.385 -15.647 -11.482 1.00 0.00 H new ATOM 0 HD3 ARG A 51 16.585 -14.381 -11.652 1.00 0.00 H new ATOM 0 HE ARG A 51 16.004 -13.503 -9.566 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.621 -15.988 -10.378 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.979 -15.999 -8.732 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.136 -13.594 -7.533 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.801 -14.699 -7.188 1.00 0.00 H new ATOM 758 N VAL A 52 13.034 -12.020 -15.443 1.00 0.00 N ATOM 759 CA VAL A 52 12.991 -12.510 -16.841 1.00 0.00 C ATOM 760 C VAL A 52 12.171 -11.573 -17.734 1.00 0.00 C ATOM 761 O VAL A 52 12.544 -11.324 -18.882 1.00 0.00 O ATOM 762 CB VAL A 52 12.413 -13.944 -16.903 1.00 0.00 C ATOM 763 CG1 VAL A 52 12.474 -14.525 -18.322 1.00 0.00 C ATOM 764 CG2 VAL A 52 13.166 -14.914 -15.981 1.00 0.00 C ATOM 0 H VAL A 52 12.111 -11.788 -15.077 1.00 0.00 H new ATOM 0 HA VAL A 52 14.015 -12.528 -17.214 1.00 0.00 H new ATOM 0 HB VAL A 52 11.377 -13.848 -16.577 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.058 -15.533 -18.321 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.896 -13.895 -18.998 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.511 -14.561 -18.656 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.724 -15.907 -16.059 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.214 -14.959 -16.278 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.095 -14.565 -14.951 1.00 0.00 H new ATOM 774 N THR A 53 11.081 -11.016 -17.201 1.00 0.00 N ATOM 775 CA THR A 53 10.130 -10.138 -17.902 1.00 0.00 C ATOM 776 C THR A 53 10.151 -8.708 -17.364 1.00 0.00 C ATOM 777 O THR A 53 9.626 -7.792 -18.003 1.00 0.00 O ATOM 778 CB THR A 53 8.697 -10.687 -17.808 1.00 0.00 C ATOM 779 OG1 THR A 53 8.264 -10.707 -16.463 1.00 0.00 O ATOM 780 CG2 THR A 53 8.552 -12.101 -18.374 1.00 0.00 C ATOM 0 H THR A 53 10.822 -11.169 -16.226 1.00 0.00 H new ATOM 0 HA THR A 53 10.449 -10.117 -18.944 1.00 0.00 H new ATOM 0 HB THR A 53 8.084 -10.016 -18.409 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.906 -11.211 -15.920 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.517 -12.428 -18.276 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.835 -12.102 -19.427 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.201 -12.782 -17.823 1.00 0.00 H new ATOM 788 N GLY A 54 10.742 -8.504 -16.181 1.00 0.00 N ATOM 789 CA GLY A 54 10.911 -7.201 -15.541 1.00 0.00 C ATOM 790 C GLY A 54 9.623 -6.559 -15.002 1.00 0.00 C ATOM 791 O GLY A 54 9.659 -5.426 -14.518 1.00 0.00 O ATOM 0 H GLY A 54 11.127 -9.269 -15.627 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.616 -7.309 -14.716 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.364 -6.518 -16.260 1.00 0.00 H new ATOM 795 N GLN A 55 8.488 -7.263 -15.076 1.00 0.00 N ATOM 796 CA GLN A 55 7.188 -6.811 -14.561 1.00 0.00 C ATOM 797 C GLN A 55 7.111 -6.984 -13.034 1.00 0.00 C ATOM 798 O GLN A 55 7.925 -7.700 -12.446 1.00 0.00 O ATOM 799 CB GLN A 55 6.050 -7.572 -15.269 1.00 0.00 C ATOM 800 CG GLN A 55 6.129 -7.573 -16.807 1.00 0.00 C ATOM 801 CD GLN A 55 6.291 -6.178 -17.413 1.00 0.00 C ATOM 802 OE1 GLN A 55 5.407 -5.335 -17.345 1.00 0.00 O ATOM 803 NE2 GLN A 55 7.423 -5.872 -18.014 1.00 0.00 N ATOM 0 H GLN A 55 8.446 -8.187 -15.507 1.00 0.00 H new ATOM 0 HA GLN A 55 7.076 -5.748 -14.773 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.050 -8.604 -14.919 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.098 -7.134 -14.969 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.968 -8.195 -17.119 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.225 -8.032 -17.209 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.169 -6.564 -18.079 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.553 -4.943 -18.415 1.00 0.00 H new ATOM 812 N HIS A 56 6.141 -6.353 -12.364 1.00 0.00 N ATOM 813 CA HIS A 56 5.943 -6.553 -10.920 1.00 0.00 C ATOM 814 C HIS A 56 5.449 -7.974 -10.588 1.00 0.00 C ATOM 815 O HIS A 56 4.829 -8.648 -11.416 1.00 0.00 O ATOM 816 CB HIS A 56 5.038 -5.462 -10.331 1.00 0.00 C ATOM 817 CG HIS A 56 3.583 -5.586 -10.706 1.00 0.00 C ATOM 818 ND1 HIS A 56 2.678 -6.477 -10.122 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.924 -4.828 -11.630 1.00 0.00 C ATOM 820 CE1 HIS A 56 1.497 -6.239 -10.715 1.00 0.00 C ATOM 821 NE2 HIS A 56 1.614 -5.249 -11.612 1.00 0.00 N ATOM 0 H HIS A 56 5.483 -5.703 -12.793 1.00 0.00 H new ATOM 0 HA HIS A 56 6.917 -6.458 -10.440 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.123 -5.485 -9.245 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.403 -4.489 -10.659 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.346 -4.052 -12.251 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.582 -6.770 -10.500 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.859 -4.872 -12.185 1.00 0.00 H new ATOM 829 N GLN A 57 5.723 -8.439 -9.366 1.00 0.00 N ATOM 830 CA GLN A 57 5.447 -9.814 -8.913 1.00 0.00 C ATOM 831 C GLN A 57 4.002 -10.041 -8.399 1.00 0.00 C ATOM 832 O GLN A 57 3.743 -10.990 -7.656 1.00 0.00 O ATOM 833 CB GLN A 57 6.532 -10.245 -7.905 1.00 0.00 C ATOM 834 CG GLN A 57 7.917 -10.359 -8.564 1.00 0.00 C ATOM 835 CD GLN A 57 8.986 -10.805 -7.569 1.00 0.00 C ATOM 836 OE1 GLN A 57 9.744 -10.012 -7.030 1.00 0.00 O ATOM 837 NE2 GLN A 57 9.083 -12.086 -7.275 1.00 0.00 N ATOM 0 H GLN A 57 6.153 -7.860 -8.644 1.00 0.00 H new ATOM 0 HA GLN A 57 5.500 -10.466 -9.785 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.577 -9.523 -7.090 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.259 -11.205 -7.466 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.869 -11.070 -9.389 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.197 -9.395 -8.990 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.457 -12.759 -7.717 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.784 -12.404 -6.606 1.00 0.00 H new ATOM 846 N GLY A 58 3.047 -9.183 -8.778 1.00 0.00 N ATOM 847 CA GLY A 58 1.634 -9.249 -8.369 1.00 0.00 C ATOM 848 C GLY A 58 1.309 -8.539 -7.048 1.00 0.00 C ATOM 849 O GLY A 58 0.145 -8.506 -6.637 1.00 0.00 O ATOM 0 H GLY A 58 3.240 -8.397 -9.398 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.022 -8.813 -9.159 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.345 -10.296 -8.282 1.00 0.00 H new ATOM 853 N TYR A 59 2.312 -7.958 -6.385 1.00 0.00 N ATOM 854 CA TYR A 59 2.173 -7.195 -5.142 1.00 0.00 C ATOM 855 C TYR A 59 3.159 -6.015 -5.078 1.00 0.00 C ATOM 856 O TYR A 59 4.243 -6.057 -5.665 1.00 0.00 O ATOM 857 CB TYR A 59 2.335 -8.120 -3.925 1.00 0.00 C ATOM 858 CG TYR A 59 3.727 -8.697 -3.731 1.00 0.00 C ATOM 859 CD1 TYR A 59 4.630 -8.082 -2.840 1.00 0.00 C ATOM 860 CD2 TYR A 59 4.113 -9.856 -4.433 1.00 0.00 C ATOM 861 CE1 TYR A 59 5.910 -8.634 -2.644 1.00 0.00 C ATOM 862 CE2 TYR A 59 5.403 -10.394 -4.260 1.00 0.00 C ATOM 863 CZ TYR A 59 6.306 -9.783 -3.361 1.00 0.00 C ATOM 864 OH TYR A 59 7.553 -10.298 -3.175 1.00 0.00 O ATOM 0 H TYR A 59 3.277 -8.008 -6.710 1.00 0.00 H new ATOM 0 HA TYR A 59 1.169 -6.770 -5.124 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.061 -7.565 -3.028 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.627 -8.944 -4.018 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.340 -7.188 -2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.417 -10.334 -5.106 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.592 -8.176 -1.942 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.702 -11.272 -4.813 1.00 0.00 H new ATOM 0 HH TYR A 59 7.668 -11.089 -3.742 1.00 0.00 H new ATOM 874 N GLY A 60 2.766 -4.974 -4.344 1.00 0.00 N ATOM 875 CA GLY A 60 3.474 -3.705 -4.171 1.00 0.00 C ATOM 876 C GLY A 60 3.352 -3.161 -2.742 1.00 0.00 C ATOM 877 O GLY A 60 2.715 -3.769 -1.878 1.00 0.00 O ATOM 0 H GLY A 60 1.890 -4.996 -3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.527 -3.843 -4.416 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.077 -2.971 -4.872 1.00 0.00 H new ATOM 881 N PHE A 61 3.949 -1.996 -2.499 1.00 0.00 N ATOM 882 CA PHE A 61 3.932 -1.287 -1.218 1.00 0.00 C ATOM 883 C PHE A 61 3.847 0.232 -1.412 1.00 0.00 C ATOM 884 O PHE A 61 4.347 0.774 -2.404 1.00 0.00 O ATOM 885 CB PHE A 61 5.193 -1.599 -0.397 1.00 0.00 C ATOM 886 CG PHE A 61 5.495 -3.061 -0.130 1.00 0.00 C ATOM 887 CD1 PHE A 61 5.130 -3.644 1.098 1.00 0.00 C ATOM 888 CD2 PHE A 61 6.190 -3.827 -1.087 1.00 0.00 C ATOM 889 CE1 PHE A 61 5.458 -4.984 1.370 1.00 0.00 C ATOM 890 CE2 PHE A 61 6.508 -5.171 -0.821 1.00 0.00 C ATOM 891 CZ PHE A 61 6.143 -5.749 0.409 1.00 0.00 C ATOM 0 H PHE A 61 4.479 -1.500 -3.216 1.00 0.00 H new ATOM 0 HA PHE A 61 3.046 -1.633 -0.685 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.049 -1.165 -0.913 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.107 -1.090 0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.596 -3.060 1.834 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.479 -3.381 -2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.184 -5.426 2.317 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.032 -5.759 -1.560 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.389 -6.780 0.615 1.00 0.00 H new ATOM 901 N VAL A 62 3.277 0.926 -0.424 1.00 0.00 N ATOM 902 CA VAL A 62 3.173 2.396 -0.382 1.00 0.00 C ATOM 903 C VAL A 62 3.588 2.899 1.000 1.00 0.00 C ATOM 904 O VAL A 62 3.169 2.346 2.012 1.00 0.00 O ATOM 905 CB VAL A 62 1.750 2.875 -0.742 1.00 0.00 C ATOM 906 CG1 VAL A 62 1.719 4.396 -0.892 1.00 0.00 C ATOM 907 CG2 VAL A 62 1.239 2.251 -2.048 1.00 0.00 C ATOM 0 H VAL A 62 2.863 0.475 0.392 1.00 0.00 H new ATOM 0 HA VAL A 62 3.848 2.812 -1.130 1.00 0.00 H new ATOM 0 HB VAL A 62 1.102 2.558 0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.708 4.716 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.022 4.860 0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.405 4.698 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.235 2.619 -2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.904 2.525 -2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.215 1.166 -1.948 1.00 0.00 H new ATOM 917 N GLU A 63 4.420 3.935 1.062 1.00 0.00 N ATOM 918 CA GLU A 63 4.978 4.485 2.303 1.00 0.00 C ATOM 919 C GLU A 63 4.377 5.859 2.610 1.00 0.00 C ATOM 920 O GLU A 63 4.533 6.799 1.829 1.00 0.00 O ATOM 921 CB GLU A 63 6.501 4.555 2.161 1.00 0.00 C ATOM 922 CG GLU A 63 7.226 4.927 3.462 1.00 0.00 C ATOM 923 CD GLU A 63 8.761 4.946 3.287 1.00 0.00 C ATOM 924 OE1 GLU A 63 9.312 4.161 2.475 1.00 0.00 O ATOM 925 OE2 GLU A 63 9.431 5.764 3.961 1.00 0.00 O ATOM 0 H GLU A 63 4.736 4.432 0.229 1.00 0.00 H new ATOM 0 HA GLU A 63 4.725 3.838 3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.869 3.590 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.752 5.287 1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.888 5.907 3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.959 4.214 4.242 1.00 0.00 H new ATOM 932 N PHE A 64 3.713 5.987 3.756 1.00 0.00 N ATOM 933 CA PHE A 64 3.125 7.234 4.242 1.00 0.00 C ATOM 934 C PHE A 64 4.039 7.976 5.220 1.00 0.00 C ATOM 935 O PHE A 64 4.973 7.407 5.791 1.00 0.00 O ATOM 936 CB PHE A 64 1.763 6.938 4.878 1.00 0.00 C ATOM 937 CG PHE A 64 0.709 6.583 3.856 1.00 0.00 C ATOM 938 CD1 PHE A 64 -0.017 7.616 3.239 1.00 0.00 C ATOM 939 CD2 PHE A 64 0.489 5.244 3.485 1.00 0.00 C ATOM 940 CE1 PHE A 64 -0.984 7.308 2.269 1.00 0.00 C ATOM 941 CE2 PHE A 64 -0.477 4.938 2.512 1.00 0.00 C ATOM 942 CZ PHE A 64 -1.218 5.973 1.912 1.00 0.00 C ATOM 0 H PHE A 64 3.564 5.203 4.391 1.00 0.00 H new ATOM 0 HA PHE A 64 2.994 7.898 3.388 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.868 6.116 5.586 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.435 7.809 5.446 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.169 8.645 3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.061 4.453 3.947 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.548 8.100 1.798 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.650 3.911 2.225 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.970 5.738 1.173 1.00 0.00 H new ATOM 952 N LEU A 65 3.745 9.261 5.435 1.00 0.00 N ATOM 953 CA LEU A 65 4.474 10.103 6.385 1.00 0.00 C ATOM 954 C LEU A 65 4.312 9.623 7.840 1.00 0.00 C ATOM 955 O LEU A 65 5.263 9.703 8.622 1.00 0.00 O ATOM 956 CB LEU A 65 3.985 11.551 6.212 1.00 0.00 C ATOM 957 CG LEU A 65 4.909 12.597 6.857 1.00 0.00 C ATOM 958 CD1 LEU A 65 6.182 12.807 6.036 1.00 0.00 C ATOM 959 CD2 LEU A 65 4.183 13.940 6.946 1.00 0.00 C ATOM 0 H LEU A 65 2.990 9.748 4.952 1.00 0.00 H new ATOM 0 HA LEU A 65 5.541 10.040 6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.891 11.769 5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.989 11.643 6.645 1.00 0.00 H new ATOM 0 HG LEU A 65 5.177 12.228 7.847 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.810 13.553 6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.727 11.866 5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.918 13.152 5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.840 14.679 7.404 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.906 14.271 5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.285 13.828 7.553 1.00 0.00 H new ATOM 971 N SER A 66 3.131 9.092 8.182 1.00 0.00 N ATOM 972 CA SER A 66 2.777 8.645 9.537 1.00 0.00 C ATOM 973 C SER A 66 1.889 7.395 9.517 1.00 0.00 C ATOM 974 O SER A 66 1.175 7.127 8.550 1.00 0.00 O ATOM 975 CB SER A 66 2.058 9.766 10.307 1.00 0.00 C ATOM 976 OG SER A 66 2.796 10.980 10.309 1.00 0.00 O ATOM 0 H SER A 66 2.377 8.958 7.509 1.00 0.00 H new ATOM 0 HA SER A 66 3.710 8.393 10.040 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.079 9.940 9.861 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.887 9.446 11.335 1.00 0.00 H new ATOM 0 HG SER A 66 2.301 11.663 10.808 1.00 0.00 H new ATOM 982 N GLU A 67 1.894 6.635 10.613 1.00 0.00 N ATOM 983 CA GLU A 67 1.117 5.392 10.757 1.00 0.00 C ATOM 984 C GLU A 67 -0.403 5.619 10.673 1.00 0.00 C ATOM 985 O GLU A 67 -1.119 4.784 10.124 1.00 0.00 O ATOM 986 CB GLU A 67 1.508 4.735 12.090 1.00 0.00 C ATOM 987 CG GLU A 67 0.824 3.380 12.322 1.00 0.00 C ATOM 988 CD GLU A 67 1.256 2.693 13.634 1.00 0.00 C ATOM 989 OE1 GLU A 67 1.393 3.370 14.683 1.00 0.00 O ATOM 990 OE2 GLU A 67 1.391 1.446 13.630 1.00 0.00 O ATOM 0 H GLU A 67 2.444 6.865 11.441 1.00 0.00 H new ATOM 0 HA GLU A 67 1.357 4.734 9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.589 4.598 12.116 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.252 5.408 12.908 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.256 3.524 12.334 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.048 2.720 11.484 1.00 0.00 H new ATOM 997 N GLU A 68 -0.909 6.760 11.148 1.00 0.00 N ATOM 998 CA GLU A 68 -2.339 7.098 11.064 1.00 0.00 C ATOM 999 C GLU A 68 -2.824 7.363 9.624 1.00 0.00 C ATOM 1000 O GLU A 68 -3.999 7.160 9.317 1.00 0.00 O ATOM 1001 CB GLU A 68 -2.660 8.275 12.002 1.00 0.00 C ATOM 1002 CG GLU A 68 -1.975 9.596 11.619 1.00 0.00 C ATOM 1003 CD GLU A 68 -2.300 10.698 12.646 1.00 0.00 C ATOM 1004 OE1 GLU A 68 -1.510 10.895 13.601 1.00 0.00 O ATOM 1005 OE2 GLU A 68 -3.347 11.377 12.509 1.00 0.00 O ATOM 0 H GLU A 68 -0.343 7.477 11.602 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.895 6.221 11.395 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.739 8.430 12.015 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.364 8.007 13.016 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.896 9.449 11.565 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.304 9.908 10.628 1.00 0.00 H new ATOM 1012 N ASP A 69 -1.919 7.756 8.721 1.00 0.00 N ATOM 1013 CA ASP A 69 -2.201 7.893 7.287 1.00 0.00 C ATOM 1014 C ASP A 69 -2.157 6.530 6.574 1.00 0.00 C ATOM 1015 O ASP A 69 -2.962 6.276 5.674 1.00 0.00 O ATOM 1016 CB ASP A 69 -1.208 8.889 6.672 1.00 0.00 C ATOM 1017 CG ASP A 69 -1.412 10.313 7.212 1.00 0.00 C ATOM 1018 OD1 ASP A 69 -2.504 10.893 7.001 1.00 0.00 O ATOM 1019 OD2 ASP A 69 -0.467 10.865 7.823 1.00 0.00 O ATOM 0 H ASP A 69 -0.958 7.991 8.968 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.212 8.278 7.155 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.190 8.563 6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.322 8.892 5.588 1.00 0.00 H new ATOM 1024 N ALA A 70 -1.289 5.616 7.028 1.00 0.00 N ATOM 1025 CA ALA A 70 -1.248 4.237 6.543 1.00 0.00 C ATOM 1026 C ALA A 70 -2.498 3.449 6.975 1.00 0.00 C ATOM 1027 O ALA A 70 -3.133 2.795 6.150 1.00 0.00 O ATOM 1028 CB ALA A 70 0.047 3.591 7.047 1.00 0.00 C ATOM 0 H ALA A 70 -0.593 5.817 7.746 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.254 4.226 5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.100 2.560 6.697 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.903 4.148 6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.061 3.605 8.137 1.00 0.00 H new ATOM 1034 N ASP A 71 -2.915 3.573 8.239 1.00 0.00 N ATOM 1035 CA ASP A 71 -4.138 2.961 8.776 1.00 0.00 C ATOM 1036 C ASP A 71 -5.400 3.386 8.001 1.00 0.00 C ATOM 1037 O ASP A 71 -6.293 2.569 7.765 1.00 0.00 O ATOM 1038 CB ASP A 71 -4.254 3.327 10.260 1.00 0.00 C ATOM 1039 CG ASP A 71 -5.465 2.653 10.925 1.00 0.00 C ATOM 1040 OD1 ASP A 71 -6.463 3.352 11.223 1.00 0.00 O ATOM 1041 OD2 ASP A 71 -5.409 1.425 11.176 1.00 0.00 O ATOM 0 H ASP A 71 -2.401 4.114 8.934 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.066 1.880 8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.343 3.030 10.779 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.340 4.409 10.361 1.00 0.00 H new ATOM 1046 N TYR A 72 -5.446 4.636 7.525 1.00 0.00 N ATOM 1047 CA TYR A 72 -6.539 5.127 6.685 1.00 0.00 C ATOM 1048 C TYR A 72 -6.499 4.518 5.275 1.00 0.00 C ATOM 1049 O TYR A 72 -7.542 4.147 4.740 1.00 0.00 O ATOM 1050 CB TYR A 72 -6.522 6.661 6.644 1.00 0.00 C ATOM 1051 CG TYR A 72 -7.817 7.264 6.129 1.00 0.00 C ATOM 1052 CD1 TYR A 72 -8.789 7.729 7.037 1.00 0.00 C ATOM 1053 CD2 TYR A 72 -8.061 7.345 4.744 1.00 0.00 C ATOM 1054 CE1 TYR A 72 -9.995 8.283 6.564 1.00 0.00 C ATOM 1055 CE2 TYR A 72 -9.260 7.905 4.265 1.00 0.00 C ATOM 1056 CZ TYR A 72 -10.233 8.375 5.174 1.00 0.00 C ATOM 1057 OH TYR A 72 -11.393 8.910 4.704 1.00 0.00 O ATOM 0 H TYR A 72 -4.726 5.333 7.713 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.481 4.806 7.130 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.326 7.042 7.646 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.699 6.991 6.011 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.609 7.660 8.100 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.324 6.975 4.046 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.738 8.637 7.264 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.436 7.975 3.202 1.00 0.00 H new ATOM 0 HH TYR A 72 -11.387 8.895 3.724 1.00 0.00 H new ATOM 1067 N ALA A 73 -5.318 4.329 4.677 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.193 3.687 3.367 1.00 0.00 C ATOM 1069 C ALA A 73 -5.619 2.211 3.419 1.00 0.00 C ATOM 1070 O ALA A 73 -6.305 1.738 2.515 1.00 0.00 O ATOM 1071 CB ALA A 73 -3.756 3.857 2.874 1.00 0.00 C ATOM 0 H ALA A 73 -4.428 4.615 5.085 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.868 4.167 2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.648 3.383 1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.523 4.919 2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.071 3.390 3.582 1.00 0.00 H new ATOM 1077 N ILE A 74 -5.312 1.511 4.516 1.00 0.00 N ATOM 1078 CA ILE A 74 -5.787 0.142 4.782 1.00 0.00 C ATOM 1079 C ILE A 74 -7.321 0.108 4.916 1.00 0.00 C ATOM 1080 O ILE A 74 -7.957 -0.854 4.482 1.00 0.00 O ATOM 1081 CB ILE A 74 -5.081 -0.434 6.035 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -3.548 -0.463 5.835 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -5.587 -1.857 6.342 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -2.756 -0.629 7.132 1.00 0.00 C ATOM 0 H ILE A 74 -4.718 1.882 5.257 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.529 -0.493 3.934 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.317 0.216 6.877 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.295 -1.280 5.160 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.238 0.461 5.347 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.078 -2.242 7.226 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.661 -1.830 6.525 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.381 -2.508 5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.689 -0.640 6.908 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.977 0.201 7.802 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.036 -1.567 7.612 1.00 0.00 H new ATOM 1096 N LYS A 75 -7.936 1.173 5.450 1.00 0.00 N ATOM 1097 CA LYS A 75 -9.395 1.307 5.573 1.00 0.00 C ATOM 1098 C LYS A 75 -10.084 1.491 4.214 1.00 0.00 C ATOM 1099 O LYS A 75 -11.105 0.844 3.975 1.00 0.00 O ATOM 1100 CB LYS A 75 -9.724 2.438 6.565 1.00 0.00 C ATOM 1101 CG LYS A 75 -11.232 2.592 6.810 1.00 0.00 C ATOM 1102 CD LYS A 75 -11.502 3.635 7.906 1.00 0.00 C ATOM 1103 CE LYS A 75 -13.001 3.885 8.126 1.00 0.00 C ATOM 1104 NZ LYS A 75 -13.693 2.717 8.735 1.00 0.00 N ATOM 0 H LYS A 75 -7.426 1.978 5.814 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.798 0.375 5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.224 2.240 7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.324 3.378 6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.727 2.892 5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.658 1.632 7.102 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.052 3.300 8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.016 4.573 7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.130 4.755 8.770 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.470 4.123 7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.701 2.938 8.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.596 1.891 8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.266 2.504 9.659 1.00 0.00 H new ATOM 1118 N ILE A 76 -9.544 2.330 3.319 1.00 0.00 N ATOM 1119 CA ILE A 76 -10.190 2.636 2.033 1.00 0.00 C ATOM 1120 C ILE A 76 -9.808 1.688 0.887 1.00 0.00 C ATOM 1121 O ILE A 76 -10.693 1.270 0.146 1.00 0.00 O ATOM 1122 CB ILE A 76 -10.007 4.112 1.623 1.00 0.00 C ATOM 1123 CG1 ILE A 76 -8.541 4.577 1.514 1.00 0.00 C ATOM 1124 CG2 ILE A 76 -10.762 5.018 2.611 1.00 0.00 C ATOM 1125 CD1 ILE A 76 -8.394 5.827 0.648 1.00 0.00 C ATOM 0 H ILE A 76 -8.656 2.812 3.463 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.251 2.463 2.215 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.418 4.192 0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.151 4.780 2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.937 3.773 1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.632 6.061 2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.823 4.767 2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.367 4.869 3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.344 6.116 0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.758 5.618 -0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.975 6.641 1.082 1.00 0.00 H new ATOM 1137 N MET A 77 -8.532 1.316 0.734 1.00 0.00 N ATOM 1138 CA MET A 77 -8.019 0.601 -0.454 1.00 0.00 C ATOM 1139 C MET A 77 -8.151 -0.924 -0.392 1.00 0.00 C ATOM 1140 O MET A 77 -7.773 -1.625 -1.327 1.00 0.00 O ATOM 1141 CB MET A 77 -6.587 1.043 -0.774 1.00 0.00 C ATOM 1142 CG MET A 77 -6.506 2.479 -1.296 1.00 0.00 C ATOM 1143 SD MET A 77 -6.988 2.661 -3.031 1.00 0.00 S ATOM 1144 CE MET A 77 -6.413 4.355 -3.296 1.00 0.00 C ATOM 0 H MET A 77 -7.815 1.502 1.435 1.00 0.00 H new ATOM 0 HA MET A 77 -8.670 0.891 -1.279 1.00 0.00 H new ATOM 0 HB2 MET A 77 -5.976 0.954 0.124 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.162 0.368 -1.517 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.146 3.114 -0.683 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.486 2.842 -1.173 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.081 4.861 -3.993 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.406 4.890 -2.346 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.404 4.336 -3.709 1.00 0.00 H new ATOM 1154 N ASP A 78 -8.715 -1.454 0.687 1.00 0.00 N ATOM 1155 CA ASP A 78 -8.863 -2.898 0.874 1.00 0.00 C ATOM 1156 C ASP A 78 -10.124 -3.450 0.188 1.00 0.00 C ATOM 1157 O ASP A 78 -11.218 -2.895 0.312 1.00 0.00 O ATOM 1158 CB ASP A 78 -8.766 -3.280 2.357 1.00 0.00 C ATOM 1159 CG ASP A 78 -8.735 -4.802 2.530 1.00 0.00 C ATOM 1160 OD1 ASP A 78 -9.528 -5.363 3.321 1.00 0.00 O ATOM 1161 OD2 ASP A 78 -7.928 -5.462 1.838 1.00 0.00 O ATOM 0 H ASP A 78 -9.083 -0.898 1.458 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.025 -3.382 0.372 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.867 -2.843 2.791 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.616 -2.866 2.899 1.00 0.00 H new ATOM 1166 N MET A 79 -9.953 -4.547 -0.556 1.00 0.00 N ATOM 1167 CA MET A 79 -10.933 -5.149 -1.472 1.00 0.00 C ATOM 1168 C MET A 79 -11.411 -4.212 -2.609 1.00 0.00 C ATOM 1169 O MET A 79 -12.421 -4.480 -3.263 1.00 0.00 O ATOM 1170 CB MET A 79 -12.048 -5.850 -0.672 1.00 0.00 C ATOM 1171 CG MET A 79 -12.643 -7.052 -1.421 1.00 0.00 C ATOM 1172 SD MET A 79 -13.827 -8.041 -0.462 1.00 0.00 S ATOM 1173 CE MET A 79 -12.713 -8.837 0.731 1.00 0.00 C ATOM 0 H MET A 79 -9.078 -5.070 -0.536 1.00 0.00 H new ATOM 0 HA MET A 79 -10.424 -5.928 -2.040 1.00 0.00 H new ATOM 0 HB2 MET A 79 -11.649 -6.184 0.285 1.00 0.00 H new ATOM 0 HB3 MET A 79 -12.840 -5.133 -0.454 1.00 0.00 H new ATOM 0 HG2 MET A 79 -13.139 -6.691 -2.322 1.00 0.00 H new ATOM 0 HG3 MET A 79 -11.828 -7.700 -1.744 1.00 0.00 H new ATOM 0 HE1 MET A 79 -13.255 -9.610 1.276 1.00 0.00 H new ATOM 0 HE2 MET A 79 -11.874 -9.287 0.201 1.00 0.00 H new ATOM 0 HE3 MET A 79 -12.340 -8.092 1.434 1.00 0.00 H new ATOM 1183 N ILE A 80 -10.671 -3.130 -2.887 1.00 0.00 N ATOM 1184 CA ILE A 80 -10.892 -2.242 -4.040 1.00 0.00 C ATOM 1185 C ILE A 80 -10.439 -2.910 -5.346 1.00 0.00 C ATOM 1186 O ILE A 80 -9.408 -3.577 -5.401 1.00 0.00 O ATOM 1187 CB ILE A 80 -10.252 -0.851 -3.788 1.00 0.00 C ATOM 1188 CG1 ILE A 80 -11.257 0.033 -3.011 1.00 0.00 C ATOM 1189 CG2 ILE A 80 -9.737 -0.162 -5.058 1.00 0.00 C ATOM 1190 CD1 ILE A 80 -10.891 1.521 -2.913 1.00 0.00 C ATOM 0 H ILE A 80 -9.885 -2.840 -2.305 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.961 -2.065 -4.158 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.356 -1.004 -3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.233 -0.052 -3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.359 -0.365 -2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.305 0.804 -4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.976 -0.786 -5.527 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.564 -0.014 -5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.661 2.049 -2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.932 1.627 -2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.820 1.945 -3.915 1.00 0.00 H new ATOM 1202 N LYS A 81 -11.203 -2.715 -6.425 1.00 0.00 N ATOM 1203 CA LYS A 81 -11.021 -3.403 -7.712 1.00 0.00 C ATOM 1204 C LYS A 81 -10.235 -2.564 -8.722 1.00 0.00 C ATOM 1205 O LYS A 81 -10.749 -2.189 -9.778 1.00 0.00 O ATOM 1206 CB LYS A 81 -12.383 -3.876 -8.236 1.00 0.00 C ATOM 1207 CG LYS A 81 -13.019 -4.923 -7.304 1.00 0.00 C ATOM 1208 CD LYS A 81 -14.275 -5.574 -7.897 1.00 0.00 C ATOM 1209 CE LYS A 81 -13.915 -6.668 -8.913 1.00 0.00 C ATOM 1210 NZ LYS A 81 -15.122 -7.195 -9.603 1.00 0.00 N ATOM 0 H LYS A 81 -11.984 -2.059 -6.431 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.400 -4.285 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.052 -3.021 -8.333 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.262 -4.301 -9.232 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.285 -5.698 -7.084 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.276 -4.449 -6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.876 -6.004 -7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.887 -4.813 -8.382 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.221 -6.266 -9.651 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.402 -7.483 -8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.840 -7.931 -10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.773 -7.601 -8.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.598 -6.421 -10.110 1.00 0.00 H new ATOM 1224 N LEU A 82 -8.972 -2.282 -8.402 1.00 0.00 N ATOM 1225 CA LEU A 82 -8.035 -1.590 -9.297 1.00 0.00 C ATOM 1226 C LEU A 82 -7.895 -2.388 -10.609 1.00 0.00 C ATOM 1227 O LEU A 82 -7.582 -3.579 -10.567 1.00 0.00 O ATOM 1228 CB LEU A 82 -6.695 -1.401 -8.558 1.00 0.00 C ATOM 1229 CG LEU A 82 -5.632 -0.582 -9.315 1.00 0.00 C ATOM 1230 CD1 LEU A 82 -6.138 0.809 -9.709 1.00 0.00 C ATOM 1231 CD2 LEU A 82 -4.405 -0.408 -8.419 1.00 0.00 C ATOM 0 H LEU A 82 -8.562 -2.530 -7.502 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.403 -0.601 -9.569 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.892 -0.914 -7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.281 -2.384 -8.335 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.390 -1.127 -10.227 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.351 1.345 -10.240 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.009 0.709 -10.356 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.414 1.363 -8.812 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.648 0.171 -8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.692 0.116 -7.507 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.000 -1.387 -8.163 1.00 0.00 H new ATOM 1243 N TYR A 83 -8.191 -1.768 -11.762 1.00 0.00 N ATOM 1244 CA TYR A 83 -8.336 -2.472 -13.054 1.00 0.00 C ATOM 1245 C TYR A 83 -9.170 -3.790 -13.025 1.00 0.00 C ATOM 1246 O TYR A 83 -8.906 -4.713 -13.800 1.00 0.00 O ATOM 1247 CB TYR A 83 -6.960 -2.652 -13.716 1.00 0.00 C ATOM 1248 CG TYR A 83 -6.194 -1.371 -13.985 1.00 0.00 C ATOM 1249 CD1 TYR A 83 -4.967 -1.134 -13.337 1.00 0.00 C ATOM 1250 CD2 TYR A 83 -6.683 -0.440 -14.924 1.00 0.00 C ATOM 1251 CE1 TYR A 83 -4.217 0.019 -13.639 1.00 0.00 C ATOM 1252 CE2 TYR A 83 -5.938 0.717 -15.224 1.00 0.00 C ATOM 1253 CZ TYR A 83 -4.700 0.948 -14.587 1.00 0.00 C ATOM 1254 OH TYR A 83 -3.977 2.057 -14.902 1.00 0.00 O ATOM 0 H TYR A 83 -8.338 -0.761 -11.829 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.951 -1.820 -13.674 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.350 -3.293 -13.079 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.096 -3.179 -14.660 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.600 -1.839 -12.606 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.630 -0.614 -15.414 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.272 0.193 -13.146 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -6.315 1.429 -15.943 1.00 0.00 H new ATOM 0 HH TYR A 83 -4.461 2.583 -15.573 1.00 0.00 H new ATOM 1264 N GLY A 84 -10.185 -3.910 -12.153 1.00 0.00 N ATOM 1265 CA GLY A 84 -11.125 -5.046 -12.126 1.00 0.00 C ATOM 1266 C GLY A 84 -10.673 -6.309 -11.367 1.00 0.00 C ATOM 1267 O GLY A 84 -11.291 -7.363 -11.532 1.00 0.00 O ATOM 0 H GLY A 84 -10.379 -3.211 -11.436 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.060 -4.702 -11.684 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.344 -5.329 -13.156 1.00 0.00 H new ATOM 1271 N LYS A 85 -9.635 -6.224 -10.524 1.00 0.00 N ATOM 1272 CA LYS A 85 -9.090 -7.281 -9.664 1.00 0.00 C ATOM 1273 C LYS A 85 -9.036 -6.754 -8.219 1.00 0.00 C ATOM 1274 O LYS A 85 -8.416 -5.714 -7.992 1.00 0.00 O ATOM 1275 CB LYS A 85 -7.687 -7.698 -10.140 1.00 0.00 C ATOM 1276 CG LYS A 85 -7.750 -8.511 -11.440 1.00 0.00 C ATOM 1277 CD LYS A 85 -6.340 -8.872 -11.931 1.00 0.00 C ATOM 1278 CE LYS A 85 -6.361 -9.664 -13.246 1.00 0.00 C ATOM 1279 NZ LYS A 85 -6.774 -8.824 -14.402 1.00 0.00 N ATOM 0 H LYS A 85 -9.118 -5.351 -10.418 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.730 -8.162 -9.713 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.076 -6.809 -10.295 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.199 -8.288 -9.364 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.326 -9.422 -11.276 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.271 -7.938 -12.207 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.762 -7.958 -12.070 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.831 -9.458 -11.166 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.370 -10.077 -13.435 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.045 -10.507 -13.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.519 -9.304 -15.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.803 -8.674 -14.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.289 -7.905 -14.354 1.00 0.00 H new ATOM 1293 N PRO A 86 -9.710 -7.403 -7.254 1.00 0.00 N ATOM 1294 CA PRO A 86 -9.826 -6.922 -5.879 1.00 0.00 C ATOM 1295 C PRO A 86 -8.489 -7.044 -5.131 1.00 0.00 C ATOM 1296 O PRO A 86 -8.044 -8.145 -4.795 1.00 0.00 O ATOM 1297 CB PRO A 86 -10.967 -7.735 -5.255 1.00 0.00 C ATOM 1298 CG PRO A 86 -11.011 -9.017 -6.085 1.00 0.00 C ATOM 1299 CD PRO A 86 -10.564 -8.554 -7.469 1.00 0.00 C ATOM 0 HA PRO A 86 -10.059 -5.858 -5.825 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.776 -7.948 -4.203 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.913 -7.196 -5.304 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.346 -9.780 -5.682 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.012 -9.447 -6.108 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.026 -9.346 -7.989 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.422 -8.292 -8.088 1.00 0.00 H new ATOM 1307 N ILE A 87 -7.850 -5.903 -4.865 1.00 0.00 N ATOM 1308 CA ILE A 87 -6.572 -5.808 -4.145 1.00 0.00 C ATOM 1309 C ILE A 87 -6.798 -5.976 -2.640 1.00 0.00 C ATOM 1310 O ILE A 87 -7.825 -5.543 -2.114 1.00 0.00 O ATOM 1311 CB ILE A 87 -5.797 -4.509 -4.483 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -6.372 -3.267 -3.768 1.00 0.00 C ATOM 1313 CG2 ILE A 87 -5.726 -4.325 -6.012 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -5.730 -1.940 -4.181 1.00 0.00 C ATOM 0 H ILE A 87 -8.214 -4.994 -5.151 1.00 0.00 H new ATOM 0 HA ILE A 87 -5.935 -6.625 -4.484 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.781 -4.614 -4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.443 -3.214 -3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.251 -3.395 -2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -5.180 -3.410 -6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -5.212 -5.177 -6.458 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.735 -4.258 -6.418 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.195 -1.123 -3.629 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -4.663 -1.967 -3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.874 -1.784 -5.250 1.00 0.00 H new ATOM 1326 N ARG A 88 -5.840 -6.568 -1.926 1.00 0.00 N ATOM 1327 CA ARG A 88 -5.872 -6.704 -0.459 1.00 0.00 C ATOM 1328 C ARG A 88 -4.770 -5.872 0.182 1.00 0.00 C ATOM 1329 O ARG A 88 -3.629 -5.908 -0.281 1.00 0.00 O ATOM 1330 CB ARG A 88 -5.819 -8.176 -0.017 1.00 0.00 C ATOM 1331 CG ARG A 88 -6.980 -9.054 -0.524 1.00 0.00 C ATOM 1332 CD ARG A 88 -8.396 -8.488 -0.309 1.00 0.00 C ATOM 1333 NE ARG A 88 -8.653 -8.051 1.078 1.00 0.00 N ATOM 1334 CZ ARG A 88 -9.143 -8.751 2.081 1.00 0.00 C ATOM 1335 NH1 ARG A 88 -9.373 -10.032 1.998 1.00 0.00 N ATOM 1336 NH2 ARG A 88 -9.421 -8.156 3.202 1.00 0.00 N ATOM 0 H ARG A 88 -5.006 -6.974 -2.351 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.827 -6.314 -0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.880 -8.609 -0.361 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.806 -8.212 1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.838 -9.230 -1.590 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.919 -10.024 -0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -8.547 -7.643 -0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.128 -9.248 -0.583 1.00 0.00 H new ATOM 0 HE ARG A 88 -8.421 -7.080 1.287 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -9.173 -10.531 1.131 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -9.753 -10.535 2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.260 -7.154 3.301 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.801 -8.691 3.983 1.00 0.00 H new ATOM 1350 N VAL A 89 -5.116 -5.118 1.225 1.00 0.00 N ATOM 1351 CA VAL A 89 -4.247 -4.093 1.831 1.00 0.00 C ATOM 1352 C VAL A 89 -4.132 -4.285 3.343 1.00 0.00 C ATOM 1353 O VAL A 89 -5.127 -4.546 4.021 1.00 0.00 O ATOM 1354 CB VAL A 89 -4.726 -2.667 1.475 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -3.738 -1.587 1.930 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -4.885 -2.497 -0.039 1.00 0.00 C ATOM 0 H VAL A 89 -6.023 -5.199 1.685 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.249 -4.216 1.410 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.678 -2.547 1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.122 -0.604 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.614 -1.640 3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.775 -1.748 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.223 -1.484 -0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.927 -2.673 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.619 -3.212 -0.410 1.00 0.00 H new ATOM 1366 N ASN A 90 -2.914 -4.154 3.879 1.00 0.00 N ATOM 1367 CA ASN A 90 -2.624 -4.170 5.321 1.00 0.00 C ATOM 1368 C ASN A 90 -1.273 -3.486 5.629 1.00 0.00 C ATOM 1369 O ASN A 90 -0.604 -2.993 4.721 1.00 0.00 O ATOM 1370 CB ASN A 90 -2.664 -5.624 5.835 1.00 0.00 C ATOM 1371 CG ASN A 90 -3.148 -5.682 7.273 1.00 0.00 C ATOM 1372 OD1 ASN A 90 -2.377 -5.584 8.215 1.00 0.00 O ATOM 1373 ND2 ASN A 90 -4.441 -5.759 7.483 1.00 0.00 N ATOM 0 H ASN A 90 -2.078 -4.030 3.308 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.388 -3.596 5.846 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.323 -6.219 5.202 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.670 -6.065 5.764 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.805 -5.737 8.436 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.082 -5.841 6.694 1.00 0.00 H new ATOM 1380 N LYS A 91 -0.851 -3.453 6.898 1.00 0.00 N ATOM 1381 CA LYS A 91 0.480 -2.980 7.324 1.00 0.00 C ATOM 1382 C LYS A 91 1.580 -3.847 6.687 1.00 0.00 C ATOM 1383 O LYS A 91 1.410 -5.063 6.571 1.00 0.00 O ATOM 1384 CB LYS A 91 0.592 -3.055 8.864 1.00 0.00 C ATOM 1385 CG LYS A 91 -0.535 -2.374 9.666 1.00 0.00 C ATOM 1386 CD LYS A 91 -0.471 -0.839 9.673 1.00 0.00 C ATOM 1387 CE LYS A 91 0.547 -0.261 10.664 1.00 0.00 C ATOM 1388 NZ LYS A 91 0.165 -0.486 12.084 1.00 0.00 N ATOM 0 H LYS A 91 -1.434 -3.760 7.677 1.00 0.00 H new ATOM 0 HA LYS A 91 0.607 -1.947 6.999 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.631 -4.105 9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.541 -2.607 9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.496 -2.684 9.254 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.499 -2.732 10.695 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.224 -0.491 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.459 -0.446 9.912 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.522 -0.712 10.480 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.652 0.809 10.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.507 0.306 12.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.870 -0.549 12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.591 -1.373 12.422 1.00 0.00 H new ATOM 1402 N ALA A 92 2.724 -3.261 6.319 1.00 0.00 N ATOM 1403 CA ALA A 92 3.871 -4.029 5.813 1.00 0.00 C ATOM 1404 C ALA A 92 4.513 -4.910 6.914 1.00 0.00 C ATOM 1405 O ALA A 92 5.015 -5.997 6.617 1.00 0.00 O ATOM 1406 CB ALA A 92 4.866 -3.068 5.157 1.00 0.00 C ATOM 0 H ALA A 92 2.882 -2.254 6.362 1.00 0.00 H new ATOM 0 HA ALA A 92 3.527 -4.733 5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.720 -3.630 4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.380 -2.548 4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.208 -2.340 5.893 1.00 0.00 H new ATOM 1412 N SER A 93 4.427 -4.478 8.180 1.00 0.00 N ATOM 1413 CA SER A 93 4.730 -5.272 9.382 1.00 0.00 C ATOM 1414 C SER A 93 3.463 -5.400 10.236 1.00 0.00 C ATOM 1415 O SER A 93 2.906 -4.393 10.678 1.00 0.00 O ATOM 1416 CB SER A 93 5.865 -4.647 10.202 1.00 0.00 C ATOM 1417 OG SER A 93 7.109 -4.859 9.557 1.00 0.00 O ATOM 0 H SER A 93 4.133 -3.528 8.405 1.00 0.00 H new ATOM 0 HA SER A 93 5.064 -6.260 9.067 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.689 -3.578 10.325 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.886 -5.084 11.200 1.00 0.00 H new ATOM 0 HG SER A 93 7.826 -4.454 10.088 1.00 0.00 H new ATOM 1423 N ALA A 94 2.997 -6.632 10.455 1.00 0.00 N ATOM 1424 CA ALA A 94 1.701 -6.953 11.068 1.00 0.00 C ATOM 1425 C ALA A 94 1.809 -8.061 12.142 1.00 0.00 C ATOM 1426 O ALA A 94 2.874 -8.654 12.341 1.00 0.00 O ATOM 1427 CB ALA A 94 0.735 -7.333 9.933 1.00 0.00 C ATOM 0 H ALA A 94 3.529 -7.465 10.202 1.00 0.00 H new ATOM 0 HA ALA A 94 1.323 -6.084 11.606 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.241 -7.578 10.352 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.634 -6.494 9.245 1.00 0.00 H new ATOM 0 HB3 ALA A 94 1.127 -8.197 9.396 1.00 0.00 H new ATOM 1433 N HIS A 95 0.692 -8.350 12.825 1.00 0.00 N ATOM 1434 CA HIS A 95 0.556 -9.390 13.868 1.00 0.00 C ATOM 1435 C HIS A 95 1.538 -9.240 15.050 1.00 0.00 C ATOM 1436 O HIS A 95 2.087 -10.221 15.560 1.00 0.00 O ATOM 1437 CB HIS A 95 0.531 -10.795 13.239 1.00 0.00 C ATOM 1438 CG HIS A 95 -0.567 -10.970 12.218 1.00 0.00 C ATOM 1439 ND1 HIS A 95 -1.903 -11.273 12.499 1.00 0.00 N ATOM 1440 CD2 HIS A 95 -0.423 -10.824 10.870 1.00 0.00 C ATOM 1441 CE1 HIS A 95 -2.531 -11.307 11.310 1.00 0.00 C ATOM 1442 NE2 HIS A 95 -1.666 -11.040 10.315 1.00 0.00 N ATOM 0 H HIS A 95 -0.181 -7.847 12.663 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.413 -9.237 14.342 1.00 0.00 H new ATOM 0 HB2 HIS A 95 1.493 -10.991 12.766 1.00 0.00 H new ATOM 0 HB3 HIS A 95 0.407 -11.537 14.028 1.00 0.00 H new ATOM 0 HD2 HIS A 95 0.488 -10.586 10.340 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -3.581 -11.519 11.173 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -1.891 -11.004 9.321 1.00 0.00 H new ATOM 1450 N ASN A 96 1.766 -7.997 15.490 1.00 0.00 N ATOM 1451 CA ASN A 96 2.598 -7.666 16.653 1.00 0.00 C ATOM 1452 C ASN A 96 1.942 -8.113 17.986 1.00 0.00 C ATOM 1453 O ASN A 96 0.725 -8.325 18.059 1.00 0.00 O ATOM 1454 CB ASN A 96 2.901 -6.153 16.609 1.00 0.00 C ATOM 1455 CG ASN A 96 4.022 -5.705 17.539 1.00 0.00 C ATOM 1456 OD1 ASN A 96 4.790 -6.492 18.076 1.00 0.00 O ATOM 1457 ND2 ASN A 96 4.166 -4.416 17.748 1.00 0.00 N ATOM 0 H ASN A 96 1.368 -7.174 15.037 1.00 0.00 H new ATOM 0 HA ASN A 96 3.537 -8.218 16.608 1.00 0.00 H new ATOM 0 HB2 ASN A 96 3.162 -5.877 15.587 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.994 -5.606 16.865 1.00 0.00 H new ATOM 0 HD21 ASN A 96 4.914 -4.078 18.354 1.00 0.00 H new ATOM 0 HD22 ASN A 96 3.530 -3.753 17.304 1.00 0.00 H new ATOM 1464 N LYS A 97 2.743 -8.239 19.053 1.00 0.00 N ATOM 1465 CA LYS A 97 2.311 -8.637 20.406 1.00 0.00 C ATOM 1466 C LYS A 97 1.309 -7.638 21.012 1.00 0.00 C ATOM 1467 O LYS A 97 1.449 -6.425 20.834 1.00 0.00 O ATOM 1468 CB LYS A 97 3.564 -8.814 21.287 1.00 0.00 C ATOM 1469 CG LYS A 97 3.250 -9.394 22.678 1.00 0.00 C ATOM 1470 CD LYS A 97 4.512 -9.716 23.495 1.00 0.00 C ATOM 1471 CE LYS A 97 5.314 -8.453 23.847 1.00 0.00 C ATOM 1472 NZ LYS A 97 6.497 -8.776 24.688 1.00 0.00 N ATOM 0 H LYS A 97 3.746 -8.061 18.999 1.00 0.00 H new ATOM 0 HA LYS A 97 1.775 -9.585 20.350 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.269 -9.471 20.777 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.056 -7.849 21.406 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.637 -8.683 23.232 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.658 -10.302 22.562 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.227 -10.231 24.413 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.144 -10.400 22.929 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.641 -7.961 22.931 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.672 -7.748 24.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 7.016 -7.902 24.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.182 -9.223 25.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 7.121 -9.429 24.173 1.00 0.00 H new ATOM 1486 N ASN A 98 0.324 -8.152 21.751 1.00 0.00 N ATOM 1487 CA ASN A 98 -0.737 -7.387 22.420 1.00 0.00 C ATOM 1488 C ASN A 98 -0.696 -7.527 23.958 1.00 0.00 C ATOM 1489 O ASN A 98 -0.037 -8.419 24.500 1.00 0.00 O ATOM 1490 CB ASN A 98 -2.099 -7.804 21.827 1.00 0.00 C ATOM 1491 CG ASN A 98 -2.557 -9.179 22.300 1.00 0.00 C ATOM 1492 OD1 ASN A 98 -2.095 -10.209 21.831 1.00 0.00 O ATOM 1493 ND2 ASN A 98 -3.458 -9.241 23.257 1.00 0.00 N ATOM 0 H ASN A 98 0.238 -9.156 21.908 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.576 -6.325 22.232 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.850 -7.063 22.100 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.031 -7.804 20.739 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -3.770 -10.147 23.606 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -3.845 -8.383 23.650 1.00 0.00 H new ATOM 1500 N LEU A 99 -1.443 -6.661 24.651 1.00 0.00 N ATOM 1501 CA LEU A 99 -1.651 -6.673 26.107 1.00 0.00 C ATOM 1502 C LEU A 99 -3.129 -6.963 26.439 1.00 0.00 C ATOM 1503 O LEU A 99 -4.026 -6.524 25.714 1.00 0.00 O ATOM 1504 CB LEU A 99 -1.163 -5.317 26.663 1.00 0.00 C ATOM 1505 CG LEU A 99 -1.236 -5.151 28.193 1.00 0.00 C ATOM 1506 CD1 LEU A 99 -0.318 -6.123 28.936 1.00 0.00 C ATOM 1507 CD2 LEU A 99 -0.841 -3.726 28.583 1.00 0.00 C ATOM 0 H LEU A 99 -1.942 -5.898 24.194 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.079 -7.470 26.581 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.130 -5.169 26.350 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.752 -4.524 26.202 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.266 -5.365 28.480 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.410 -5.961 30.010 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.603 -7.148 28.697 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.715 -5.954 28.631 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.895 -3.617 29.666 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.177 -3.526 28.249 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.523 -3.018 28.112 1.00 0.00 H new ATOM 1519 N SER A 100 -3.394 -7.678 27.537 1.00 0.00 N ATOM 1520 CA SER A 100 -4.760 -8.023 27.985 1.00 0.00 C ATOM 1521 C SER A 100 -5.553 -6.810 28.503 1.00 0.00 C ATOM 1522 O SER A 100 -6.774 -6.747 28.346 1.00 0.00 O ATOM 1523 CB SER A 100 -4.699 -9.090 29.086 1.00 0.00 C ATOM 1524 OG SER A 100 -3.975 -10.229 28.639 1.00 0.00 O ATOM 0 H SER A 100 -2.664 -8.040 28.150 1.00 0.00 H new ATOM 0 HA SER A 100 -5.284 -8.404 27.108 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.224 -8.676 29.975 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.709 -9.384 29.372 1.00 0.00 H new ATOM 0 HG SER A 100 -3.944 -10.899 29.354 1.00 0.00 H new ATOM 1530 N GLY A 101 -4.859 -5.832 29.094 1.00 0.00 N ATOM 1531 CA GLY A 101 -5.393 -4.535 29.524 1.00 0.00 C ATOM 1532 C GLY A 101 -4.388 -3.747 30.383 1.00 0.00 C ATOM 1533 O GLY A 101 -3.516 -4.360 31.011 1.00 0.00 O ATOM 0 H GLY A 101 -3.864 -5.927 29.295 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.659 -3.945 28.647 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.309 -4.692 30.093 1.00 0.00 H new ATOM 1537 N PRO A 102 -4.478 -2.404 30.433 1.00 0.00 N ATOM 1538 CA PRO A 102 -3.595 -1.574 31.253 1.00 0.00 C ATOM 1539 C PRO A 102 -3.843 -1.788 32.756 1.00 0.00 C ATOM 1540 O PRO A 102 -4.983 -1.976 33.192 1.00 0.00 O ATOM 1541 CB PRO A 102 -3.874 -0.131 30.818 1.00 0.00 C ATOM 1542 CG PRO A 102 -5.332 -0.181 30.357 1.00 0.00 C ATOM 1543 CD PRO A 102 -5.452 -1.574 29.737 1.00 0.00 C ATOM 0 HA PRO A 102 -2.547 -1.834 31.106 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -3.735 0.571 31.640 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.208 0.183 30.014 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.023 -0.050 31.190 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.553 0.603 29.633 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.460 -1.970 29.858 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.247 -1.545 28.667 1.00 0.00 H new ATOM 1551 N SER A 103 -2.769 -1.751 33.553 1.00 0.00 N ATOM 1552 CA SER A 103 -2.783 -1.937 35.020 1.00 0.00 C ATOM 1553 C SER A 103 -3.476 -3.229 35.506 1.00 0.00 C ATOM 1554 O SER A 103 -4.011 -3.282 36.616 1.00 0.00 O ATOM 1555 CB SER A 103 -3.319 -0.679 35.728 1.00 0.00 C ATOM 1556 OG SER A 103 -2.577 0.472 35.342 1.00 0.00 O ATOM 0 H SER A 103 -1.831 -1.585 33.188 1.00 0.00 H new ATOM 0 HA SER A 103 -1.741 -2.078 35.308 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.372 -0.538 35.482 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.259 -0.811 36.808 1.00 0.00 H new ATOM 0 HG SER A 103 -2.934 1.261 35.801 1.00 0.00 H new ATOM 1562 N SER A 104 -3.475 -4.286 34.682 1.00 0.00 N ATOM 1563 CA SER A 104 -4.167 -5.563 34.949 1.00 0.00 C ATOM 1564 C SER A 104 -3.427 -6.512 35.913 1.00 0.00 C ATOM 1565 O SER A 104 -4.025 -7.481 36.393 1.00 0.00 O ATOM 1566 CB SER A 104 -4.487 -6.274 33.627 1.00 0.00 C ATOM 1567 OG SER A 104 -3.318 -6.505 32.858 1.00 0.00 O ATOM 0 H SER A 104 -2.982 -4.281 33.789 1.00 0.00 H new ATOM 0 HA SER A 104 -5.088 -5.297 35.468 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.979 -7.224 33.835 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.188 -5.671 33.050 1.00 0.00 H new ATOM 0 HG SER A 104 -3.256 -5.833 32.147 1.00 0.00 H new ATOM 1573 N GLY A 105 -2.156 -6.228 36.235 1.00 0.00 N ATOM 1574 CA GLY A 105 -1.314 -6.994 37.173 1.00 0.00 C ATOM 1575 C GLY A 105 -0.831 -8.335 36.616 1.00 0.00 C ATOM 1576 O GLY A 105 -0.098 -8.328 35.601 1.00 0.00 O ATOM 1577 OXT GLY A 105 -1.159 -9.384 37.214 1.00 0.00 O ATOM 0 H GLY A 105 -1.665 -5.428 35.835 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.448 -6.391 37.445 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.877 -7.173 38.089 1.00 0.00 H new TER 1581 GLY A 105