USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 662 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 48 CYS SG : rot 130:sc= 1.55 USER MOD Set 1.2: A 54 SER OG : rot -84:sc= 1.09 USER MOD Set 1.3: A 71 ASN : amide:sc= -0.563 K(o=2.1,f=0.84!) USER MOD Set 2.1: A 43 THR OG1 : rot 84:sc= 1.29 USER MOD Set 2.2: A 68 HIS : no HE2:sc= 0.81 K(o=2.1,f=-4.1!) USER MOD Set 3.1: A 41 ASN : amide:sc= 0.96 K(o=0.98,f=-0.084) USER MOD Set 3.2: A 67 THR OG1 : rot 171:sc= 0.022 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.0492 K(o=-0.049,f=-1) USER MOD Single : A 13 TYR OH : rot -169:sc= 1.3 USER MOD Single : A 14 GLN : amide:sc= 0.869 K(o=0.87,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.586 K(o=0.59,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.855 K(o=0.86,f=-3!) USER MOD Single : A 19 GLN : amide:sc= 0.537 K(o=0.54,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.714 K(o=0.71,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 1.19 (180deg=1.04) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 1.15 (180deg=1.11) USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 0.966 (180deg=0.935) USER MOD Single : A 47 TYR OH : rot 180:sc= 0.261 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 53 GLN : amide:sc= 0.823 K(o=0.82,f=0) USER MOD Single : A 56 GLN : amide:sc= 1 K(o=1,f=-0.00014) USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= 1.21 (180deg=1.2) USER MOD Single : A 62 SER OG : rot 99:sc= 1.23 USER MOD Single : A 64 MET CE :methyl 166:sc= 0 (180deg=-0.074) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 171:sc=-0.00452 (180deg=-0.132) USER MOD Single : A 82 LYS NZ :NH3+ 143:sc= 1.95 (180deg=0.28) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.093 0.138 0.984 1.00 0.00 N ATOM 2 CA ALA A 1 0.235 0.048 -0.488 1.00 0.00 C ATOM 3 C ALA A 1 1.117 -1.150 -0.871 1.00 0.00 C ATOM 4 O ALA A 1 2.225 -0.975 -1.384 1.00 0.00 O ATOM 5 CB ALA A 1 0.763 1.376 -1.069 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.506 0.953 1.226 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.346 -0.733 1.344 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.031 0.258 1.417 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.748 -0.122 -0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.859 1.287 -2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.066 2.180 -0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.737 1.601 -0.635 1.00 0.00 H new ATOM 13 N GLU A 2 0.647 -2.382 -0.646 1.00 0.00 N ATOM 14 CA GLU A 2 1.334 -3.610 -1.034 1.00 0.00 C ATOM 15 C GLU A 2 0.282 -4.713 -1.201 1.00 0.00 C ATOM 16 O GLU A 2 -0.696 -4.751 -0.446 1.00 0.00 O ATOM 17 CB GLU A 2 2.346 -3.979 0.072 1.00 0.00 C ATOM 18 CG GLU A 2 3.143 -5.273 -0.180 1.00 0.00 C ATOM 19 CD GLU A 2 4.143 -5.609 0.945 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.700 -4.693 1.591 1.00 0.00 O ATOM 21 OE2 GLU A 2 4.447 -6.809 1.144 1.00 0.00 O ATOM 0 H GLU A 2 -0.243 -2.552 -0.178 1.00 0.00 H new ATOM 0 HA GLU A 2 1.873 -3.484 -1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.049 -3.154 0.190 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.810 -4.078 1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.446 -6.103 -0.295 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.685 -5.179 -1.121 1.00 0.00 H new ATOM 28 N HIS A 3 0.524 -5.635 -2.133 1.00 0.00 N ATOM 29 CA HIS A 3 -0.201 -6.884 -2.320 1.00 0.00 C ATOM 30 C HIS A 3 0.811 -7.929 -2.789 1.00 0.00 C ATOM 31 O HIS A 3 1.879 -7.584 -3.296 1.00 0.00 O ATOM 32 CB HIS A 3 -1.308 -6.743 -3.380 1.00 0.00 C ATOM 33 CG HIS A 3 -2.468 -5.867 -2.977 1.00 0.00 C ATOM 34 ND1 HIS A 3 -3.397 -6.127 -1.992 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.834 -4.692 -3.574 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.292 -5.124 -1.991 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.996 -4.221 -2.945 1.00 0.00 N ATOM 0 H HIS A 3 1.274 -5.520 -2.814 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.677 -7.171 -1.383 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.868 -6.340 -4.292 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.688 -7.736 -3.621 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.317 -4.209 -4.390 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.133 -5.052 -1.317 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.511 -3.369 -3.165 1.00 0.00 H new ATOM 45 N TRP A 4 0.450 -9.206 -2.683 1.00 0.00 N ATOM 46 CA TRP A 4 1.241 -10.310 -3.199 1.00 0.00 C ATOM 47 C TRP A 4 0.324 -11.073 -4.141 1.00 0.00 C ATOM 48 O TRP A 4 -0.753 -11.504 -3.719 1.00 0.00 O ATOM 49 CB TRP A 4 1.680 -11.233 -2.053 1.00 0.00 C ATOM 50 CG TRP A 4 2.751 -10.716 -1.145 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.634 -9.679 -0.288 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.117 -11.208 -0.989 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.825 -9.482 0.375 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.772 -10.413 0.000 1.00 0.00 C ATOM 55 CE3 TRP A 4 4.872 -12.239 -1.591 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.112 -10.622 0.359 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.210 -12.465 -1.225 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.834 -11.656 -0.259 1.00 0.00 C ATOM 0 H TRP A 4 -0.414 -9.502 -2.229 1.00 0.00 H new ATOM 0 HA TRP A 4 2.140 -9.952 -3.701 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.803 -11.464 -1.448 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.025 -12.172 -2.486 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.739 -9.091 -0.144 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.987 -8.741 1.057 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.414 -12.863 -2.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.583 -9.995 1.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.764 -13.267 -1.690 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.866 -11.829 0.007 1.00 0.00 H new ATOM 69 N ILE A 5 0.736 -11.237 -5.395 1.00 0.00 N ATOM 70 CA ILE A 5 -0.065 -11.864 -6.432 1.00 0.00 C ATOM 71 C ILE A 5 0.784 -13.004 -6.985 1.00 0.00 C ATOM 72 O ILE A 5 1.792 -12.792 -7.661 1.00 0.00 O ATOM 73 CB ILE A 5 -0.493 -10.853 -7.525 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.959 -9.470 -7.010 1.00 0.00 C ATOM 75 CG2 ILE A 5 -1.581 -11.491 -8.407 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.260 -9.421 -6.206 1.00 0.00 C ATOM 0 H ILE A 5 1.653 -10.931 -5.721 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.005 -12.245 -6.032 1.00 0.00 H new ATOM 0 HB ILE A 5 0.409 -10.639 -8.098 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.164 -9.056 -6.390 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.069 -8.810 -7.870 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.886 -10.783 -9.178 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.186 -12.392 -8.877 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.442 -11.750 -7.792 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.466 -8.393 -5.909 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.081 -9.793 -6.819 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.161 -10.043 -5.316 1.00 0.00 H new ATOM 88 N ASP A 6 0.402 -14.226 -6.646 1.00 0.00 N ATOM 89 CA ASP A 6 0.953 -15.430 -7.238 1.00 0.00 C ATOM 90 C ASP A 6 0.543 -15.476 -8.710 1.00 0.00 C ATOM 91 O ASP A 6 -0.655 -15.431 -9.000 1.00 0.00 O ATOM 92 CB ASP A 6 0.363 -16.629 -6.499 1.00 0.00 C ATOM 93 CG ASP A 6 0.920 -17.958 -6.988 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.011 -18.002 -7.587 1.00 0.00 O ATOM 95 OD2 ASP A 6 0.235 -18.982 -6.769 1.00 0.00 O ATOM 0 H ASP A 6 -0.311 -14.409 -5.940 1.00 0.00 H new ATOM 0 HA ASP A 6 2.040 -15.446 -7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.564 -16.527 -5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.720 -16.628 -6.621 1.00 0.00 H new ATOM 100 N VAL A 7 1.504 -15.564 -9.632 1.00 0.00 N ATOM 101 CA VAL A 7 1.243 -15.614 -11.076 1.00 0.00 C ATOM 102 C VAL A 7 1.440 -17.024 -11.643 1.00 0.00 C ATOM 103 O VAL A 7 1.331 -17.240 -12.854 1.00 0.00 O ATOM 104 CB VAL A 7 2.038 -14.529 -11.830 1.00 0.00 C ATOM 105 CG1 VAL A 7 1.720 -13.124 -11.295 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.555 -14.755 -11.797 1.00 0.00 C ATOM 0 H VAL A 7 2.496 -15.603 -9.397 1.00 0.00 H new ATOM 0 HA VAL A 7 0.190 -15.380 -11.235 1.00 0.00 H new ATOM 0 HB VAL A 7 1.716 -14.606 -12.868 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.298 -12.384 -11.849 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.656 -12.920 -11.418 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.980 -13.070 -10.238 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.054 -13.956 -12.346 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.900 -14.756 -10.763 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.790 -15.714 -12.259 1.00 0.00 H new ATOM 116 N ARG A 8 1.744 -17.985 -10.770 1.00 0.00 N ATOM 117 CA ARG A 8 1.789 -19.415 -11.053 1.00 0.00 C ATOM 118 C ARG A 8 0.406 -19.904 -11.482 1.00 0.00 C ATOM 119 O ARG A 8 -0.605 -19.254 -11.192 1.00 0.00 O ATOM 120 CB ARG A 8 2.159 -20.059 -9.717 1.00 0.00 C ATOM 121 CG ARG A 8 2.633 -21.508 -9.653 1.00 0.00 C ATOM 122 CD ARG A 8 3.033 -21.906 -8.215 1.00 0.00 C ATOM 123 NE ARG A 8 2.235 -21.241 -7.165 1.00 0.00 N ATOM 124 CZ ARG A 8 1.939 -21.710 -5.952 1.00 0.00 C ATOM 125 NH1 ARG A 8 2.355 -22.898 -5.528 1.00 0.00 N ATOM 126 NH2 ARG A 8 1.204 -20.964 -5.149 1.00 0.00 N ATOM 0 H ARG A 8 1.977 -17.774 -9.800 1.00 0.00 H new ATOM 0 HA ARG A 8 2.492 -19.657 -11.850 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.943 -19.446 -9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.285 -19.979 -9.070 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.841 -22.168 -10.008 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.484 -21.644 -10.320 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.931 -22.986 -8.106 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.086 -21.668 -8.062 1.00 0.00 H new ATOM 0 HE ARG A 8 1.868 -20.317 -7.394 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.922 -23.487 -6.138 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.107 -23.221 -4.593 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.875 -20.050 -5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.965 -21.301 -4.217 1.00 0.00 H new ATOM 140 N VAL A 9 0.350 -21.087 -12.092 1.00 0.00 N ATOM 141 CA VAL A 9 -0.922 -21.748 -12.365 1.00 0.00 C ATOM 142 C VAL A 9 -1.696 -21.982 -11.052 1.00 0.00 C ATOM 143 O VAL A 9 -1.082 -22.280 -10.021 1.00 0.00 O ATOM 144 CB VAL A 9 -0.712 -23.035 -13.192 1.00 0.00 C ATOM 145 CG1 VAL A 9 -0.195 -22.694 -14.598 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.248 -24.042 -12.537 1.00 0.00 C ATOM 0 H VAL A 9 1.170 -21.606 -12.406 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.541 -21.096 -12.981 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.691 -23.511 -13.247 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.053 -23.613 -15.166 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.920 -22.060 -15.109 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.755 -22.166 -14.518 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.346 -24.920 -13.176 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.226 -23.579 -12.404 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.146 -24.342 -11.566 1.00 0.00 H new ATOM 156 N PRO A 10 -3.036 -21.866 -11.062 1.00 0.00 N ATOM 157 CA PRO A 10 -3.831 -21.844 -9.839 1.00 0.00 C ATOM 158 C PRO A 10 -3.906 -23.209 -9.150 1.00 0.00 C ATOM 159 O PRO A 10 -4.155 -23.266 -7.947 1.00 0.00 O ATOM 160 CB PRO A 10 -5.210 -21.338 -10.270 1.00 0.00 C ATOM 161 CG PRO A 10 -5.324 -21.803 -11.719 1.00 0.00 C ATOM 162 CD PRO A 10 -3.892 -21.643 -12.223 1.00 0.00 C ATOM 0 HA PRO A 10 -3.377 -21.198 -9.088 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.003 -21.757 -9.651 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.283 -20.253 -10.190 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.667 -22.835 -11.789 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.026 -21.194 -12.288 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.673 -22.360 -13.014 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.733 -20.649 -12.641 1.00 0.00 H new ATOM 170 N GLU A 11 -3.666 -24.310 -9.870 1.00 0.00 N ATOM 171 CA GLU A 11 -3.661 -25.653 -9.294 1.00 0.00 C ATOM 172 C GLU A 11 -2.583 -25.778 -8.209 1.00 0.00 C ATOM 173 O GLU A 11 -2.810 -26.422 -7.182 1.00 0.00 O ATOM 174 CB GLU A 11 -3.461 -26.680 -10.420 1.00 0.00 C ATOM 175 CG GLU A 11 -3.584 -28.129 -9.925 1.00 0.00 C ATOM 176 CD GLU A 11 -3.500 -29.132 -11.089 1.00 0.00 C ATOM 177 OE1 GLU A 11 -2.381 -29.563 -11.450 1.00 0.00 O ATOM 178 OE2 GLU A 11 -4.553 -29.518 -11.646 1.00 0.00 O ATOM 0 H GLU A 11 -3.470 -24.292 -10.871 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.618 -25.848 -8.810 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.198 -26.503 -11.203 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.478 -26.535 -10.869 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.792 -28.337 -9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.531 -28.256 -9.401 1.00 0.00 H new ATOM 185 N GLN A 12 -1.427 -25.131 -8.401 1.00 0.00 N ATOM 186 CA GLN A 12 -0.328 -25.201 -7.448 1.00 0.00 C ATOM 187 C GLN A 12 -0.607 -24.318 -6.226 1.00 0.00 C ATOM 188 O GLN A 12 -0.203 -24.676 -5.121 1.00 0.00 O ATOM 189 CB GLN A 12 0.990 -24.851 -8.146 1.00 0.00 C ATOM 190 CG GLN A 12 1.392 -25.911 -9.189 1.00 0.00 C ATOM 191 CD GLN A 12 2.730 -25.609 -9.872 1.00 0.00 C ATOM 192 OE1 GLN A 12 3.656 -25.069 -9.274 1.00 0.00 O ATOM 193 NE2 GLN A 12 2.870 -25.948 -11.144 1.00 0.00 N ATOM 0 H GLN A 12 -1.234 -24.550 -9.217 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.237 -26.221 -7.074 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.895 -23.881 -8.634 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.781 -24.757 -7.401 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.451 -26.885 -8.703 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.612 -25.980 -9.947 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.100 -26.397 -11.640 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.748 -25.761 -11.628 1.00 0.00 H new ATOM 202 N TYR A 13 -1.361 -23.223 -6.382 1.00 0.00 N ATOM 203 CA TYR A 13 -1.846 -22.419 -5.257 1.00 0.00 C ATOM 204 C TYR A 13 -2.707 -23.258 -4.311 1.00 0.00 C ATOM 205 O TYR A 13 -2.641 -23.060 -3.097 1.00 0.00 O ATOM 206 CB TYR A 13 -2.592 -21.183 -5.783 1.00 0.00 C ATOM 207 CG TYR A 13 -3.149 -20.226 -4.740 1.00 0.00 C ATOM 208 CD1 TYR A 13 -4.450 -20.415 -4.235 1.00 0.00 C ATOM 209 CD2 TYR A 13 -2.411 -19.094 -4.343 1.00 0.00 C ATOM 210 CE1 TYR A 13 -5.022 -19.470 -3.366 1.00 0.00 C ATOM 211 CE2 TYR A 13 -2.981 -18.131 -3.489 1.00 0.00 C ATOM 212 CZ TYR A 13 -4.295 -18.314 -2.999 1.00 0.00 C ATOM 213 OH TYR A 13 -4.881 -17.382 -2.197 1.00 0.00 O ATOM 0 H TYR A 13 -1.652 -22.870 -7.294 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.994 -22.071 -4.673 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.914 -20.625 -6.429 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.418 -21.524 -6.407 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.012 -21.293 -4.518 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.399 -18.964 -4.697 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.018 -19.627 -2.978 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.416 -17.254 -3.209 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.329 -16.572 -2.179 1.00 0.00 H new ATOM 223 N GLN A 14 -3.464 -24.235 -4.830 1.00 0.00 N ATOM 224 CA GLN A 14 -4.238 -25.133 -3.974 1.00 0.00 C ATOM 225 C GLN A 14 -3.321 -26.028 -3.124 1.00 0.00 C ATOM 226 O GLN A 14 -3.756 -26.510 -2.078 1.00 0.00 O ATOM 227 CB GLN A 14 -5.212 -26.013 -4.783 1.00 0.00 C ATOM 228 CG GLN A 14 -5.992 -25.324 -5.912 1.00 0.00 C ATOM 229 CD GLN A 14 -6.692 -24.029 -5.497 1.00 0.00 C ATOM 230 OE1 GLN A 14 -7.515 -24.005 -4.584 1.00 0.00 O ATOM 231 NE2 GLN A 14 -6.389 -22.927 -6.164 1.00 0.00 N ATOM 0 H GLN A 14 -3.554 -24.419 -5.829 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.824 -24.494 -3.313 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.646 -26.838 -5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.931 -26.449 -4.090 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.306 -25.106 -6.730 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.738 -26.018 -6.298 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.704 -22.960 -6.919 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.840 -22.045 -5.923 1.00 0.00 H new ATOM 240 N GLN A 15 -2.076 -26.273 -3.559 1.00 0.00 N ATOM 241 CA GLN A 15 -1.147 -27.147 -2.852 1.00 0.00 C ATOM 242 C GLN A 15 -0.417 -26.361 -1.764 1.00 0.00 C ATOM 243 O GLN A 15 -0.376 -26.807 -0.618 1.00 0.00 O ATOM 244 CB GLN A 15 -0.142 -27.812 -3.814 1.00 0.00 C ATOM 245 CG GLN A 15 -0.746 -28.396 -5.102 1.00 0.00 C ATOM 246 CD GLN A 15 -1.994 -29.257 -4.907 1.00 0.00 C ATOM 247 OE1 GLN A 15 -2.017 -30.194 -4.112 1.00 0.00 O ATOM 248 NE2 GLN A 15 -3.056 -28.955 -5.638 1.00 0.00 N ATOM 0 H GLN A 15 -1.691 -25.867 -4.412 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.724 -27.947 -2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.613 -27.076 -4.089 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.372 -28.611 -3.280 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.994 -27.573 -5.773 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.015 -28.996 -5.601 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.019 -28.174 -6.293 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.911 -29.504 -5.546 1.00 0.00 H new ATOM 257 N GLU A 16 0.113 -25.183 -2.102 1.00 0.00 N ATOM 258 CA GLU A 16 0.756 -24.266 -1.164 1.00 0.00 C ATOM 259 C GLU A 16 0.730 -22.854 -1.750 1.00 0.00 C ATOM 260 O GLU A 16 0.896 -22.683 -2.962 1.00 0.00 O ATOM 261 CB GLU A 16 2.209 -24.705 -0.896 1.00 0.00 C ATOM 262 CG GLU A 16 2.900 -23.884 0.205 1.00 0.00 C ATOM 263 CD GLU A 16 4.353 -24.333 0.424 1.00 0.00 C ATOM 264 OE1 GLU A 16 4.589 -25.466 0.902 1.00 0.00 O ATOM 265 OE2 GLU A 16 5.268 -23.528 0.139 1.00 0.00 O ATOM 0 H GLU A 16 0.105 -24.834 -3.060 1.00 0.00 H new ATOM 0 HA GLU A 16 0.216 -24.278 -0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.217 -25.758 -0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.783 -24.618 -1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.882 -22.828 -0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.344 -23.985 1.137 1.00 0.00 H new ATOM 272 N HIS A 17 0.594 -21.837 -0.899 1.00 0.00 N ATOM 273 CA HIS A 17 0.760 -20.434 -1.256 1.00 0.00 C ATOM 274 C HIS A 17 1.239 -19.637 -0.041 1.00 0.00 C ATOM 275 O HIS A 17 1.098 -20.097 1.095 1.00 0.00 O ATOM 276 CB HIS A 17 -0.560 -19.885 -1.816 1.00 0.00 C ATOM 277 CG HIS A 17 -1.791 -20.081 -0.960 1.00 0.00 C ATOM 278 ND1 HIS A 17 -2.644 -21.159 -1.004 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.364 -19.155 -0.129 1.00 0.00 C ATOM 280 CE1 HIS A 17 -3.696 -20.894 -0.213 1.00 0.00 C ATOM 281 NE2 HIS A 17 -3.572 -19.679 0.351 1.00 0.00 N ATOM 0 H HIS A 17 0.359 -21.974 0.084 1.00 0.00 H new ATOM 0 HA HIS A 17 1.520 -20.337 -2.032 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.436 -18.817 -1.996 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.740 -20.352 -2.784 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.502 -22.012 -1.544 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.954 -18.186 0.115 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.527 -21.564 -0.052 1.00 0.00 H new ATOM 289 N VAL A 18 1.816 -18.453 -0.274 1.00 0.00 N ATOM 290 CA VAL A 18 2.174 -17.511 0.787 1.00 0.00 C ATOM 291 C VAL A 18 0.889 -17.117 1.515 1.00 0.00 C ATOM 292 O VAL A 18 -0.128 -16.829 0.878 1.00 0.00 O ATOM 293 CB VAL A 18 2.910 -16.280 0.210 1.00 0.00 C ATOM 294 CG1 VAL A 18 3.298 -15.267 1.300 1.00 0.00 C ATOM 295 CG2 VAL A 18 4.196 -16.689 -0.517 1.00 0.00 C ATOM 0 H VAL A 18 2.048 -18.121 -1.210 1.00 0.00 H new ATOM 0 HA VAL A 18 2.864 -17.976 1.491 1.00 0.00 H new ATOM 0 HB VAL A 18 2.208 -15.818 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.812 -14.421 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.399 -14.915 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.958 -15.746 2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.690 -15.801 -0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.863 -17.195 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.951 -17.362 -1.338 1.00 0.00 H new ATOM 305 N GLN A 19 0.934 -17.113 2.847 1.00 0.00 N ATOM 306 CA GLN A 19 -0.219 -16.859 3.694 1.00 0.00 C ATOM 307 C GLN A 19 -0.828 -15.489 3.362 1.00 0.00 C ATOM 308 O GLN A 19 -0.188 -14.454 3.556 1.00 0.00 O ATOM 309 CB GLN A 19 0.222 -17.012 5.161 1.00 0.00 C ATOM 310 CG GLN A 19 -0.939 -16.986 6.165 1.00 0.00 C ATOM 311 CD GLN A 19 -0.498 -17.462 7.553 1.00 0.00 C ATOM 312 OE1 GLN A 19 -0.473 -16.690 8.509 1.00 0.00 O ATOM 313 NE2 GLN A 19 -0.136 -18.729 7.708 1.00 0.00 N ATOM 0 H GLN A 19 1.791 -17.290 3.372 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.016 -17.580 3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.764 -17.951 5.271 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.919 -16.211 5.406 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.336 -15.973 6.237 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.748 -17.620 5.803 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.158 -19.367 6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.164 -19.065 8.623 1.00 0.00 H new ATOM 322 N GLY A 20 -2.061 -15.496 2.845 1.00 0.00 N ATOM 323 CA GLY A 20 -2.842 -14.299 2.549 1.00 0.00 C ATOM 324 C GLY A 20 -2.627 -13.732 1.140 1.00 0.00 C ATOM 325 O GLY A 20 -3.270 -12.738 0.798 1.00 0.00 O ATOM 0 H GLY A 20 -2.553 -16.360 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.900 -14.530 2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.593 -13.529 3.279 1.00 0.00 H new ATOM 329 N ALA A 21 -1.742 -14.316 0.320 1.00 0.00 N ATOM 330 CA ALA A 21 -1.513 -13.848 -1.046 1.00 0.00 C ATOM 331 C ALA A 21 -2.714 -14.160 -1.948 1.00 0.00 C ATOM 332 O ALA A 21 -3.425 -15.146 -1.736 1.00 0.00 O ATOM 333 CB ALA A 21 -0.252 -14.501 -1.612 1.00 0.00 C ATOM 0 H ALA A 21 -1.171 -15.119 0.586 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.383 -12.766 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.086 -14.149 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.604 -14.236 -0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.374 -15.584 -1.618 1.00 0.00 H new ATOM 339 N ILE A 22 -2.896 -13.349 -2.990 1.00 0.00 N ATOM 340 CA ILE A 22 -3.844 -13.594 -4.077 1.00 0.00 C ATOM 341 C ILE A 22 -3.162 -14.548 -5.073 1.00 0.00 C ATOM 342 O ILE A 22 -1.934 -14.660 -5.081 1.00 0.00 O ATOM 343 CB ILE A 22 -4.202 -12.252 -4.786 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.354 -11.025 -3.854 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.473 -12.357 -5.655 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.445 -11.143 -2.780 1.00 0.00 C ATOM 0 H ILE A 22 -2.374 -12.480 -3.104 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.766 -14.031 -3.693 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.326 -12.080 -5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.399 -10.846 -3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.565 -10.149 -4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.674 -11.394 -6.124 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.325 -13.112 -6.427 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.319 -12.639 -5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.468 -10.232 -2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.413 -11.287 -3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.230 -11.995 -2.135 1.00 0.00 H new ATOM 358 N ASN A 23 -3.932 -15.176 -5.964 1.00 0.00 N ATOM 359 CA ASN A 23 -3.406 -15.838 -7.156 1.00 0.00 C ATOM 360 C ASN A 23 -4.230 -15.347 -8.327 1.00 0.00 C ATOM 361 O ASN A 23 -5.462 -15.360 -8.271 1.00 0.00 O ATOM 362 CB ASN A 23 -3.434 -17.374 -7.091 1.00 0.00 C ATOM 363 CG ASN A 23 -3.076 -18.020 -8.439 1.00 0.00 C ATOM 364 OD1 ASN A 23 -3.871 -18.014 -9.371 1.00 0.00 O ATOM 365 ND2 ASN A 23 -1.897 -18.601 -8.592 1.00 0.00 N ATOM 0 H ASN A 23 -4.946 -15.239 -5.876 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.350 -15.584 -7.252 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.734 -17.716 -6.329 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.426 -17.705 -6.784 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.656 -19.039 -9.481 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.229 -18.610 -7.821 1.00 0.00 H new ATOM 372 N ILE A 24 -3.534 -14.921 -9.373 1.00 0.00 N ATOM 373 CA ILE A 24 -4.110 -14.642 -10.674 1.00 0.00 C ATOM 374 C ILE A 24 -3.024 -15.125 -11.635 1.00 0.00 C ATOM 375 O ILE A 24 -1.937 -14.546 -11.613 1.00 0.00 O ATOM 376 CB ILE A 24 -4.435 -13.142 -10.885 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.210 -12.486 -9.718 1.00 0.00 C ATOM 378 CG2 ILE A 24 -5.182 -13.020 -12.213 1.00 0.00 C ATOM 379 CD1 ILE A 24 -5.491 -10.989 -9.902 1.00 0.00 C ATOM 0 H ILE A 24 -2.528 -14.757 -9.335 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.072 -15.135 -10.816 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.499 -12.585 -10.911 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.158 -13.008 -9.590 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.643 -12.626 -8.798 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.429 -11.974 -12.397 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.551 -13.391 -13.021 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.099 -13.607 -12.170 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.038 -10.612 -9.037 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.548 -10.451 -9.998 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.087 -10.839 -10.802 1.00 0.00 H new ATOM 391 N PRO A 25 -3.257 -16.171 -12.446 1.00 0.00 N ATOM 392 CA PRO A 25 -2.210 -16.721 -13.292 1.00 0.00 C ATOM 393 C PRO A 25 -1.773 -15.653 -14.298 1.00 0.00 C ATOM 394 O PRO A 25 -2.560 -14.773 -14.650 1.00 0.00 O ATOM 395 CB PRO A 25 -2.822 -17.970 -13.929 1.00 0.00 C ATOM 396 CG PRO A 25 -4.318 -17.659 -13.969 1.00 0.00 C ATOM 397 CD PRO A 25 -4.533 -16.821 -12.709 1.00 0.00 C ATOM 0 HA PRO A 25 -1.303 -17.003 -12.758 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.423 -18.147 -14.928 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.614 -18.863 -13.340 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.591 -17.109 -14.870 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.919 -18.568 -13.956 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.324 -16.086 -12.858 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.834 -17.447 -11.869 1.00 0.00 H new ATOM 405 N LEU A 26 -0.524 -15.719 -14.767 1.00 0.00 N ATOM 406 CA LEU A 26 0.105 -14.653 -15.557 1.00 0.00 C ATOM 407 C LEU A 26 -0.757 -14.201 -16.744 1.00 0.00 C ATOM 408 O LEU A 26 -0.895 -13.001 -16.983 1.00 0.00 O ATOM 409 CB LEU A 26 1.508 -15.127 -15.983 1.00 0.00 C ATOM 410 CG LEU A 26 2.396 -14.043 -16.634 1.00 0.00 C ATOM 411 CD1 LEU A 26 3.868 -14.406 -16.413 1.00 0.00 C ATOM 412 CD2 LEU A 26 2.177 -13.908 -18.148 1.00 0.00 C ATOM 0 H LEU A 26 0.086 -16.521 -14.608 1.00 0.00 H new ATOM 0 HA LEU A 26 0.201 -13.760 -14.939 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.024 -15.519 -15.106 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.398 -15.954 -16.684 1.00 0.00 H new ATOM 0 HG LEU A 26 2.125 -13.096 -16.166 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.503 -13.646 -16.869 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.074 -14.456 -15.344 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.076 -15.374 -16.869 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.831 -13.130 -18.542 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.406 -14.856 -18.635 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.138 -13.642 -18.343 1.00 0.00 H new ATOM 424 N LYS A 27 -1.396 -15.151 -17.437 1.00 0.00 N ATOM 425 CA LYS A 27 -2.298 -14.894 -18.565 1.00 0.00 C ATOM 426 C LYS A 27 -3.442 -13.933 -18.226 1.00 0.00 C ATOM 427 O LYS A 27 -3.955 -13.265 -19.123 1.00 0.00 O ATOM 428 CB LYS A 27 -2.838 -16.226 -19.120 1.00 0.00 C ATOM 429 CG LYS A 27 -3.771 -16.990 -18.157 1.00 0.00 C ATOM 430 CD LYS A 27 -4.124 -18.371 -18.730 1.00 0.00 C ATOM 431 CE LYS A 27 -5.009 -19.212 -17.794 1.00 0.00 C ATOM 432 NZ LYS A 27 -6.429 -18.777 -17.769 1.00 0.00 N ATOM 0 H LYS A 27 -1.298 -16.144 -17.223 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.710 -14.391 -19.333 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.377 -16.027 -20.046 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.994 -16.868 -19.374 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.287 -17.105 -17.187 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.682 -16.415 -17.992 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.637 -18.241 -19.683 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.203 -18.917 -18.936 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.963 -20.256 -18.105 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.604 -19.162 -16.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.019 -19.540 -17.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.522 -17.929 -17.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.742 -18.557 -18.736 1.00 0.00 H new ATOM 446 N GLU A 28 -3.840 -13.856 -16.956 1.00 0.00 N ATOM 447 CA GLU A 28 -4.939 -13.038 -16.475 1.00 0.00 C ATOM 448 C GLU A 28 -4.458 -11.886 -15.616 1.00 0.00 C ATOM 449 O GLU A 28 -5.132 -10.864 -15.604 1.00 0.00 O ATOM 450 CB GLU A 28 -5.936 -13.910 -15.695 1.00 0.00 C ATOM 451 CG GLU A 28 -7.134 -14.227 -16.590 1.00 0.00 C ATOM 452 CD GLU A 28 -7.885 -15.476 -16.120 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.420 -16.600 -16.417 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.950 -15.328 -15.478 1.00 0.00 O ATOM 0 H GLU A 28 -3.385 -14.384 -16.211 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.436 -12.605 -17.343 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.455 -14.833 -15.371 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.266 -13.390 -14.796 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.815 -13.376 -16.599 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.793 -14.373 -17.615 1.00 0.00 H new ATOM 461 N VAL A 29 -3.313 -11.976 -14.937 1.00 0.00 N ATOM 462 CA VAL A 29 -2.839 -10.872 -14.097 1.00 0.00 C ATOM 463 C VAL A 29 -2.692 -9.600 -14.932 1.00 0.00 C ATOM 464 O VAL A 29 -3.072 -8.516 -14.498 1.00 0.00 O ATOM 465 CB VAL A 29 -1.557 -11.279 -13.339 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.231 -11.043 -14.080 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.507 -10.559 -11.987 1.00 0.00 C ATOM 0 H VAL A 29 -2.702 -12.792 -14.951 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.577 -10.646 -13.328 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.636 -12.360 -13.228 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.599 -11.366 -13.452 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.227 -11.614 -15.009 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.124 -9.982 -14.306 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.601 -10.848 -11.454 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.504 -9.481 -12.149 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.380 -10.835 -11.395 1.00 0.00 H new ATOM 477 N LYS A 30 -2.246 -9.779 -16.176 1.00 0.00 N ATOM 478 CA LYS A 30 -2.058 -8.739 -17.179 1.00 0.00 C ATOM 479 C LYS A 30 -3.335 -7.949 -17.507 1.00 0.00 C ATOM 480 O LYS A 30 -3.231 -6.866 -18.079 1.00 0.00 O ATOM 481 CB LYS A 30 -1.447 -9.423 -18.421 1.00 0.00 C ATOM 482 CG LYS A 30 -0.771 -8.441 -19.386 1.00 0.00 C ATOM 483 CD LYS A 30 -0.149 -9.174 -20.583 1.00 0.00 C ATOM 484 CE LYS A 30 0.479 -8.161 -21.551 1.00 0.00 C ATOM 485 NZ LYS A 30 1.059 -8.814 -22.752 1.00 0.00 N ATOM 0 H LYS A 30 -1.994 -10.703 -16.526 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.387 -7.974 -16.787 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.716 -10.163 -18.096 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.231 -9.962 -18.953 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.503 -7.715 -19.741 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.001 -7.882 -18.858 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.609 -9.876 -20.236 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.912 -9.758 -21.099 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.278 -7.441 -21.862 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.258 -7.601 -21.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.471 -8.091 -23.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.800 -9.482 -22.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.312 -9.327 -23.263 1.00 0.00 H new ATOM 499 N GLU A 31 -4.524 -8.429 -17.134 1.00 0.00 N ATOM 500 CA GLU A 31 -5.774 -7.686 -17.303 1.00 0.00 C ATOM 501 C GLU A 31 -6.554 -7.543 -15.992 1.00 0.00 C ATOM 502 O GLU A 31 -7.232 -6.536 -15.790 1.00 0.00 O ATOM 503 CB GLU A 31 -6.611 -8.271 -18.450 1.00 0.00 C ATOM 504 CG GLU A 31 -7.070 -9.704 -18.184 1.00 0.00 C ATOM 505 CD GLU A 31 -7.950 -10.241 -19.327 1.00 0.00 C ATOM 506 OE1 GLU A 31 -7.412 -10.805 -20.307 1.00 0.00 O ATOM 507 OE2 GLU A 31 -9.193 -10.111 -19.256 1.00 0.00 O ATOM 0 H GLU A 31 -4.647 -9.346 -16.705 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.517 -6.666 -17.590 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.485 -7.640 -18.613 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.025 -8.248 -19.369 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.199 -10.348 -18.062 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.627 -9.740 -17.248 1.00 0.00 H new ATOM 514 N ARG A 32 -6.439 -8.501 -15.068 1.00 0.00 N ATOM 515 CA ARG A 32 -7.193 -8.490 -13.820 1.00 0.00 C ATOM 516 C ARG A 32 -6.566 -7.581 -12.779 1.00 0.00 C ATOM 517 O ARG A 32 -7.304 -7.027 -11.963 1.00 0.00 O ATOM 518 CB ARG A 32 -7.370 -9.899 -13.248 1.00 0.00 C ATOM 519 CG ARG A 32 -8.272 -10.757 -14.146 1.00 0.00 C ATOM 520 CD ARG A 32 -8.831 -11.948 -13.357 1.00 0.00 C ATOM 521 NE ARG A 32 -9.560 -12.894 -14.215 1.00 0.00 N ATOM 522 CZ ARG A 32 -10.821 -12.811 -14.646 1.00 0.00 C ATOM 523 NH1 ARG A 32 -11.602 -11.779 -14.335 1.00 0.00 N ATOM 524 NH2 ARG A 32 -11.272 -13.804 -15.400 1.00 0.00 N ATOM 0 H ARG A 32 -5.819 -9.305 -15.168 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.178 -8.092 -14.066 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.396 -10.377 -13.145 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.802 -9.837 -12.249 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.092 -10.152 -14.534 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.706 -11.115 -15.006 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.012 -12.468 -12.860 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.497 -11.583 -12.575 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.037 -13.716 -14.519 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.241 -11.024 -13.752 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.561 -11.744 -14.679 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.662 -14.589 -15.628 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.229 -13.783 -15.752 1.00 0.00 H new ATOM 538 N ILE A 33 -5.242 -7.377 -12.795 1.00 0.00 N ATOM 539 CA ILE A 33 -4.612 -6.481 -11.822 1.00 0.00 C ATOM 540 C ILE A 33 -5.206 -5.078 -11.957 1.00 0.00 C ATOM 541 O ILE A 33 -5.400 -4.405 -10.951 1.00 0.00 O ATOM 542 CB ILE A 33 -3.067 -6.496 -11.914 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.404 -5.949 -10.626 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.535 -5.707 -13.118 1.00 0.00 C ATOM 545 CD1 ILE A 33 -2.499 -6.943 -9.468 1.00 0.00 C ATOM 0 H ILE A 33 -4.599 -7.811 -13.457 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.834 -6.847 -10.819 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.800 -7.545 -12.042 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.356 -5.723 -10.825 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.883 -5.013 -10.341 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.446 -5.753 -13.131 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.927 -6.139 -14.038 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.853 -4.667 -13.041 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.022 -6.519 -8.585 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.547 -7.149 -9.250 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.996 -7.870 -9.742 1.00 0.00 H new ATOM 557 N ALA A 34 -5.599 -4.681 -13.172 1.00 0.00 N ATOM 558 CA ALA A 34 -6.230 -3.393 -13.417 1.00 0.00 C ATOM 559 C ALA A 34 -7.546 -3.184 -12.653 1.00 0.00 C ATOM 560 O ALA A 34 -7.962 -2.037 -12.482 1.00 0.00 O ATOM 561 CB ALA A 34 -6.454 -3.228 -14.923 1.00 0.00 C ATOM 0 H ALA A 34 -5.485 -5.250 -14.011 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.551 -2.629 -13.039 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.927 -2.265 -15.117 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.496 -3.273 -15.440 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.099 -4.029 -15.285 1.00 0.00 H new ATOM 567 N THR A 35 -8.188 -4.256 -12.182 1.00 0.00 N ATOM 568 CA THR A 35 -9.412 -4.188 -11.388 1.00 0.00 C ATOM 569 C THR A 35 -9.113 -4.530 -9.920 1.00 0.00 C ATOM 570 O THR A 35 -9.743 -3.973 -9.020 1.00 0.00 O ATOM 571 CB THR A 35 -10.464 -5.125 -12.019 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.589 -4.867 -13.409 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.857 -4.965 -11.400 1.00 0.00 C ATOM 0 H THR A 35 -7.865 -5.210 -12.346 1.00 0.00 H new ATOM 0 HA THR A 35 -9.817 -3.176 -11.391 1.00 0.00 H new ATOM 0 HB THR A 35 -10.107 -6.137 -11.830 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.258 -5.470 -13.795 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.552 -5.650 -11.886 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.810 -5.191 -10.335 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.201 -3.940 -11.539 1.00 0.00 H new ATOM 581 N ALA A 36 -8.134 -5.405 -9.663 1.00 0.00 N ATOM 582 CA ALA A 36 -7.783 -5.828 -8.308 1.00 0.00 C ATOM 583 C ALA A 36 -6.979 -4.748 -7.571 1.00 0.00 C ATOM 584 O ALA A 36 -7.134 -4.582 -6.361 1.00 0.00 O ATOM 585 CB ALA A 36 -6.994 -7.145 -8.363 1.00 0.00 C ATOM 0 H ALA A 36 -7.565 -5.838 -10.390 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.706 -5.985 -7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.735 -7.456 -7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.604 -7.915 -8.834 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.082 -6.999 -8.943 1.00 0.00 H new ATOM 591 N VAL A 37 -6.129 -4.021 -8.299 1.00 0.00 N ATOM 592 CA VAL A 37 -5.164 -3.054 -7.791 1.00 0.00 C ATOM 593 C VAL A 37 -5.067 -1.906 -8.819 1.00 0.00 C ATOM 594 O VAL A 37 -4.087 -1.811 -9.561 1.00 0.00 O ATOM 595 CB VAL A 37 -3.794 -3.726 -7.516 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.917 -2.789 -6.679 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.877 -5.082 -6.797 1.00 0.00 C ATOM 0 H VAL A 37 -6.097 -4.098 -9.316 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.490 -2.649 -6.833 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.365 -3.917 -8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.955 -3.265 -6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.759 -1.857 -7.222 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.412 -2.578 -5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.872 -5.476 -6.647 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.364 -4.952 -5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.454 -5.780 -7.403 1.00 0.00 H new ATOM 607 N PRO A 38 -6.090 -1.036 -8.921 1.00 0.00 N ATOM 608 CA PRO A 38 -6.089 0.058 -9.888 1.00 0.00 C ATOM 609 C PRO A 38 -4.993 1.100 -9.601 1.00 0.00 C ATOM 610 O PRO A 38 -4.597 1.830 -10.511 1.00 0.00 O ATOM 611 CB PRO A 38 -7.496 0.660 -9.825 1.00 0.00 C ATOM 612 CG PRO A 38 -7.982 0.312 -8.418 1.00 0.00 C ATOM 613 CD PRO A 38 -7.320 -1.038 -8.145 1.00 0.00 C ATOM 0 HA PRO A 38 -5.856 -0.303 -10.890 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.477 1.738 -9.986 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.147 0.235 -10.589 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.679 1.064 -7.690 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.069 0.244 -8.372 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.113 -1.165 -7.082 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.970 -1.861 -8.443 1.00 0.00 H new ATOM 621 N ASP A 39 -4.496 1.186 -8.360 1.00 0.00 N ATOM 622 CA ASP A 39 -3.365 2.040 -8.001 1.00 0.00 C ATOM 623 C ASP A 39 -2.067 1.453 -8.564 1.00 0.00 C ATOM 624 O ASP A 39 -1.504 0.508 -8.006 1.00 0.00 O ATOM 625 CB ASP A 39 -3.261 2.214 -6.479 1.00 0.00 C ATOM 626 CG ASP A 39 -2.032 3.049 -6.064 1.00 0.00 C ATOM 627 OD1 ASP A 39 -1.408 3.712 -6.923 1.00 0.00 O ATOM 628 OD2 ASP A 39 -1.714 3.072 -4.854 1.00 0.00 O ATOM 0 H ASP A 39 -4.874 0.659 -7.573 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.528 3.025 -8.437 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.166 2.696 -6.109 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.206 1.233 -6.007 1.00 0.00 H new ATOM 633 N LYS A 40 -1.575 2.021 -9.668 1.00 0.00 N ATOM 634 CA LYS A 40 -0.332 1.590 -10.309 1.00 0.00 C ATOM 635 C LYS A 40 0.905 1.739 -9.415 1.00 0.00 C ATOM 636 O LYS A 40 1.932 1.137 -9.732 1.00 0.00 O ATOM 637 CB LYS A 40 -0.145 2.332 -11.645 1.00 0.00 C ATOM 638 CG LYS A 40 -1.130 1.827 -12.712 1.00 0.00 C ATOM 639 CD LYS A 40 -0.671 2.197 -14.129 1.00 0.00 C ATOM 640 CE LYS A 40 -1.680 1.678 -15.162 1.00 0.00 C ATOM 641 NZ LYS A 40 -1.207 1.873 -16.556 1.00 0.00 N ATOM 0 H LYS A 40 -2.032 2.798 -10.145 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.428 0.521 -10.497 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.290 3.401 -11.492 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.877 2.196 -11.998 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.229 0.744 -12.633 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.117 2.252 -12.527 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.573 3.279 -14.217 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.313 1.771 -14.324 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.863 0.618 -14.987 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.632 2.192 -15.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.961 1.602 -17.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.960 2.873 -16.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.369 1.281 -16.724 1.00 0.00 H new ATOM 655 N ASN A 41 0.834 2.502 -8.319 1.00 0.00 N ATOM 656 CA ASN A 41 1.944 2.703 -7.387 1.00 0.00 C ATOM 657 C ASN A 41 1.809 1.780 -6.165 1.00 0.00 C ATOM 658 O ASN A 41 2.584 1.906 -5.215 1.00 0.00 O ATOM 659 CB ASN A 41 2.021 4.188 -6.979 1.00 0.00 C ATOM 660 CG ASN A 41 3.447 4.667 -6.690 1.00 0.00 C ATOM 661 OD1 ASN A 41 3.953 5.562 -7.362 1.00 0.00 O ATOM 662 ND2 ASN A 41 4.127 4.117 -5.700 1.00 0.00 N ATOM 0 H ASN A 41 -0.012 3.005 -8.052 1.00 0.00 H new ATOM 0 HA ASN A 41 2.878 2.439 -7.883 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.595 4.798 -7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.406 4.346 -6.093 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.074 4.435 -5.493 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.705 3.374 -5.143 1.00 0.00 H new ATOM 669 N ASP A 42 0.836 0.864 -6.135 1.00 0.00 N ATOM 670 CA ASP A 42 0.811 -0.174 -5.105 1.00 0.00 C ATOM 671 C ASP A 42 2.030 -1.072 -5.280 1.00 0.00 C ATOM 672 O ASP A 42 2.446 -1.339 -6.414 1.00 0.00 O ATOM 673 CB ASP A 42 -0.423 -1.058 -5.219 1.00 0.00 C ATOM 674 CG ASP A 42 -0.586 -1.891 -3.949 1.00 0.00 C ATOM 675 OD1 ASP A 42 -1.153 -1.360 -2.968 1.00 0.00 O ATOM 676 OD2 ASP A 42 -0.111 -3.045 -3.931 1.00 0.00 O ATOM 0 H ASP A 42 0.066 0.821 -6.803 1.00 0.00 H new ATOM 0 HA ASP A 42 0.804 0.325 -4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.309 -0.442 -5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.332 -1.714 -6.085 1.00 0.00 H new ATOM 681 N THR A 43 2.584 -1.569 -4.180 1.00 0.00 N ATOM 682 CA THR A 43 3.645 -2.551 -4.227 1.00 0.00 C ATOM 683 C THR A 43 3.076 -3.927 -4.597 1.00 0.00 C ATOM 684 O THR A 43 2.843 -4.769 -3.729 1.00 0.00 O ATOM 685 CB THR A 43 4.463 -2.544 -2.932 1.00 0.00 C ATOM 686 OG1 THR A 43 4.817 -1.223 -2.569 1.00 0.00 O ATOM 687 CG2 THR A 43 5.721 -3.370 -3.159 1.00 0.00 C ATOM 0 H THR A 43 2.307 -1.299 -3.236 1.00 0.00 H new ATOM 0 HA THR A 43 4.351 -2.287 -5.015 1.00 0.00 H new ATOM 0 HB THR A 43 3.868 -2.968 -2.123 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.076 -0.808 -2.080 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.320 -3.379 -2.248 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.444 -4.391 -3.421 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.302 -2.932 -3.971 1.00 0.00 H new ATOM 695 N VAL A 44 2.844 -4.157 -5.888 1.00 0.00 N ATOM 696 CA VAL A 44 2.424 -5.457 -6.394 1.00 0.00 C ATOM 697 C VAL A 44 3.662 -6.350 -6.407 1.00 0.00 C ATOM 698 O VAL A 44 4.502 -6.256 -7.307 1.00 0.00 O ATOM 699 CB VAL A 44 1.758 -5.360 -7.784 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.124 -6.714 -8.135 1.00 0.00 C ATOM 701 CG2 VAL A 44 0.652 -4.294 -7.827 1.00 0.00 C ATOM 0 H VAL A 44 2.943 -3.445 -6.611 1.00 0.00 H new ATOM 0 HA VAL A 44 1.656 -5.883 -5.749 1.00 0.00 H new ATOM 0 HB VAL A 44 2.535 -5.082 -8.497 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.652 -6.652 -9.116 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.896 -7.484 -8.152 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.374 -6.969 -7.387 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.214 -4.264 -8.825 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.121 -4.542 -7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.077 -3.319 -7.588 1.00 0.00 H new ATOM 711 N LYS A 45 3.804 -7.196 -5.390 1.00 0.00 N ATOM 712 CA LYS A 45 4.827 -8.229 -5.377 1.00 0.00 C ATOM 713 C LYS A 45 4.297 -9.400 -6.188 1.00 0.00 C ATOM 714 O LYS A 45 3.123 -9.753 -6.043 1.00 0.00 O ATOM 715 CB LYS A 45 5.176 -8.641 -3.940 1.00 0.00 C ATOM 716 CG LYS A 45 5.547 -7.397 -3.123 1.00 0.00 C ATOM 717 CD LYS A 45 6.225 -7.734 -1.796 1.00 0.00 C ATOM 718 CE LYS A 45 6.805 -6.473 -1.143 1.00 0.00 C ATOM 719 NZ LYS A 45 7.123 -6.693 0.289 1.00 0.00 N ATOM 0 H LYS A 45 3.215 -7.182 -4.557 1.00 0.00 H new ATOM 0 HA LYS A 45 5.753 -7.860 -5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.329 -9.150 -3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.007 -9.346 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.211 -6.766 -3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.646 -6.816 -2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.505 -8.199 -1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.020 -8.461 -1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.708 -6.171 -1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.091 -5.654 -1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.560 -5.835 0.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.249 -6.907 0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.784 -7.491 0.379 1.00 0.00 H new ATOM 733 N VAL A 46 5.144 -10.031 -6.994 1.00 0.00 N ATOM 734 CA VAL A 46 4.758 -11.182 -7.799 1.00 0.00 C ATOM 735 C VAL A 46 5.694 -12.344 -7.483 1.00 0.00 C ATOM 736 O VAL A 46 6.902 -12.145 -7.336 1.00 0.00 O ATOM 737 CB VAL A 46 4.698 -10.817 -9.299 1.00 0.00 C ATOM 738 CG1 VAL A 46 3.562 -9.819 -9.578 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.006 -10.233 -9.859 1.00 0.00 C ATOM 0 H VAL A 46 6.120 -9.757 -7.107 1.00 0.00 H new ATOM 0 HA VAL A 46 3.747 -11.500 -7.545 1.00 0.00 H new ATOM 0 HB VAL A 46 4.518 -11.764 -9.807 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.542 -9.579 -10.641 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.609 -10.262 -9.288 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.729 -8.908 -9.003 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.879 -10.004 -10.917 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.258 -9.321 -9.318 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.810 -10.960 -9.739 1.00 0.00 H new ATOM 749 N TYR A 47 5.146 -13.557 -7.390 1.00 0.00 N ATOM 750 CA TYR A 47 5.903 -14.789 -7.192 1.00 0.00 C ATOM 751 C TYR A 47 5.259 -15.906 -8.019 1.00 0.00 C ATOM 752 O TYR A 47 4.168 -15.722 -8.562 1.00 0.00 O ATOM 753 CB TYR A 47 6.010 -15.147 -5.701 1.00 0.00 C ATOM 754 CG TYR A 47 4.777 -15.763 -5.069 1.00 0.00 C ATOM 755 CD1 TYR A 47 3.790 -14.935 -4.506 1.00 0.00 C ATOM 756 CD2 TYR A 47 4.639 -17.164 -5.008 1.00 0.00 C ATOM 757 CE1 TYR A 47 2.681 -15.503 -3.856 1.00 0.00 C ATOM 758 CE2 TYR A 47 3.521 -17.737 -4.380 1.00 0.00 C ATOM 759 CZ TYR A 47 2.550 -16.909 -3.781 1.00 0.00 C ATOM 760 OH TYR A 47 1.489 -17.477 -3.142 1.00 0.00 O ATOM 0 H TYR A 47 4.140 -13.711 -7.452 1.00 0.00 H new ATOM 0 HA TYR A 47 6.927 -14.650 -7.539 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.842 -15.840 -5.574 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.262 -14.242 -5.149 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.884 -13.861 -4.573 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.395 -17.799 -5.445 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.929 -14.866 -3.414 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.405 -18.811 -4.356 1.00 0.00 H new ATOM 0 HH TYR A 47 1.562 -18.453 -3.190 1.00 0.00 H new ATOM 770 N CYS A 48 5.949 -17.037 -8.165 1.00 0.00 N ATOM 771 CA CYS A 48 5.479 -18.220 -8.864 1.00 0.00 C ATOM 772 C CYS A 48 6.190 -19.436 -8.262 1.00 0.00 C ATOM 773 O CYS A 48 6.659 -19.371 -7.126 1.00 0.00 O ATOM 774 CB CYS A 48 5.680 -18.052 -10.381 1.00 0.00 C ATOM 775 SG CYS A 48 7.441 -17.942 -10.803 1.00 0.00 S ATOM 0 H CYS A 48 6.887 -17.153 -7.782 1.00 0.00 H new ATOM 0 HA CYS A 48 4.407 -18.372 -8.734 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.230 -18.895 -10.905 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.165 -17.153 -10.721 1.00 0.00 H new ATOM 0 HG CYS A 48 7.710 -18.776 -11.763 1.00 0.00 H new ATOM 781 N ASN A 49 6.284 -20.552 -8.991 1.00 0.00 N ATOM 782 CA ASN A 49 6.942 -21.751 -8.472 1.00 0.00 C ATOM 783 C ASN A 49 8.470 -21.628 -8.475 1.00 0.00 C ATOM 784 O ASN A 49 9.115 -22.104 -7.542 1.00 0.00 O ATOM 785 CB ASN A 49 6.530 -22.977 -9.301 1.00 0.00 C ATOM 786 CG ASN A 49 7.048 -24.274 -8.681 1.00 0.00 C ATOM 787 OD1 ASN A 49 6.956 -24.491 -7.476 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.595 -25.168 -9.487 1.00 0.00 N ATOM 0 H ASN A 49 5.915 -20.649 -9.937 1.00 0.00 H new ATOM 0 HA ASN A 49 6.620 -21.869 -7.437 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.443 -23.018 -9.377 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.917 -22.878 -10.315 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.946 -26.048 -9.109 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.666 -24.977 -10.487 1.00 0.00 H new ATOM 795 N ALA A 50 9.053 -20.979 -9.495 1.00 0.00 N ATOM 796 CA ALA A 50 10.498 -21.022 -9.754 1.00 0.00 C ATOM 797 C ALA A 50 11.095 -19.675 -10.202 1.00 0.00 C ATOM 798 O ALA A 50 12.162 -19.646 -10.816 1.00 0.00 O ATOM 799 CB ALA A 50 10.759 -22.128 -10.790 1.00 0.00 C ATOM 0 H ALA A 50 8.534 -20.409 -10.163 1.00 0.00 H new ATOM 0 HA ALA A 50 11.006 -21.242 -8.815 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.827 -22.183 -11.002 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.418 -23.085 -10.395 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.218 -21.901 -11.708 1.00 0.00 H new ATOM 805 N GLY A 51 10.415 -18.556 -9.944 1.00 0.00 N ATOM 806 CA GLY A 51 10.921 -17.202 -10.178 1.00 0.00 C ATOM 807 C GLY A 51 10.849 -16.735 -11.635 1.00 0.00 C ATOM 808 O GLY A 51 10.648 -15.547 -11.882 1.00 0.00 O ATOM 0 H GLY A 51 9.472 -18.567 -9.556 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.356 -16.505 -9.559 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.958 -17.154 -9.846 1.00 0.00 H new ATOM 812 N ARG A 52 10.988 -17.629 -12.620 1.00 0.00 N ATOM 813 CA ARG A 52 11.013 -17.230 -14.033 1.00 0.00 C ATOM 814 C ARG A 52 9.696 -16.590 -14.481 1.00 0.00 C ATOM 815 O ARG A 52 9.720 -15.558 -15.154 1.00 0.00 O ATOM 816 CB ARG A 52 11.449 -18.401 -14.937 1.00 0.00 C ATOM 817 CG ARG A 52 10.570 -19.663 -14.869 1.00 0.00 C ATOM 818 CD ARG A 52 11.117 -20.755 -15.797 1.00 0.00 C ATOM 819 NE ARG A 52 10.308 -21.985 -15.712 1.00 0.00 N ATOM 820 CZ ARG A 52 10.558 -23.057 -14.946 1.00 0.00 C ATOM 821 NH1 ARG A 52 11.628 -23.098 -14.153 1.00 0.00 N ATOM 822 NH2 ARG A 52 9.725 -24.092 -14.975 1.00 0.00 N ATOM 0 H ARG A 52 11.085 -18.633 -12.466 1.00 0.00 H new ATOM 0 HA ARG A 52 11.768 -16.451 -14.139 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.469 -18.051 -15.969 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.470 -18.678 -14.674 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.535 -20.033 -13.844 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.547 -19.416 -15.153 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.124 -20.392 -16.825 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.150 -20.978 -15.531 1.00 0.00 H new ATOM 0 HE ARG A 52 9.472 -22.024 -16.296 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.271 -22.307 -14.123 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.804 -23.921 -13.576 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.902 -24.068 -15.577 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.909 -24.911 -14.395 1.00 0.00 H new ATOM 836 N GLN A 53 8.550 -17.159 -14.090 1.00 0.00 N ATOM 837 CA GLN A 53 7.251 -16.660 -14.537 1.00 0.00 C ATOM 838 C GLN A 53 6.945 -15.329 -13.846 1.00 0.00 C ATOM 839 O GLN A 53 6.468 -14.399 -14.492 1.00 0.00 O ATOM 840 CB GLN A 53 6.170 -17.733 -14.301 1.00 0.00 C ATOM 841 CG GLN A 53 4.876 -17.497 -15.093 1.00 0.00 C ATOM 842 CD GLN A 53 4.040 -18.774 -15.236 1.00 0.00 C ATOM 843 OE1 GLN A 53 4.446 -19.723 -15.903 1.00 0.00 O ATOM 844 NE2 GLN A 53 2.857 -18.847 -14.644 1.00 0.00 N ATOM 0 H GLN A 53 8.499 -17.964 -13.466 1.00 0.00 H new ATOM 0 HA GLN A 53 7.266 -16.462 -15.609 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.576 -18.709 -14.569 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.932 -17.768 -13.238 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.282 -16.731 -14.595 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.123 -17.115 -16.083 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.515 -18.062 -14.089 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.288 -19.688 -14.743 1.00 0.00 H new ATOM 853 N SER A 54 7.276 -15.186 -12.560 1.00 0.00 N ATOM 854 CA SER A 54 7.119 -13.921 -11.857 1.00 0.00 C ATOM 855 C SER A 54 8.105 -12.872 -12.371 1.00 0.00 C ATOM 856 O SER A 54 7.806 -11.682 -12.301 1.00 0.00 O ATOM 857 CB SER A 54 7.226 -14.152 -10.348 1.00 0.00 C ATOM 858 OG SER A 54 8.351 -14.954 -10.028 1.00 0.00 O ATOM 0 H SER A 54 7.656 -15.939 -11.986 1.00 0.00 H new ATOM 0 HA SER A 54 6.126 -13.518 -12.058 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.303 -13.193 -9.836 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.318 -14.635 -9.987 1.00 0.00 H new ATOM 0 HG SER A 54 8.117 -15.900 -10.129 1.00 0.00 H new ATOM 864 N GLY A 55 9.268 -13.274 -12.891 1.00 0.00 N ATOM 865 CA GLY A 55 10.211 -12.371 -13.534 1.00 0.00 C ATOM 866 C GLY A 55 9.567 -11.754 -14.770 1.00 0.00 C ATOM 867 O GLY A 55 9.511 -10.531 -14.891 1.00 0.00 O ATOM 0 H GLY A 55 9.579 -14.245 -12.874 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.511 -11.587 -12.839 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.115 -12.912 -13.814 1.00 0.00 H new ATOM 871 N GLN A 56 8.987 -12.592 -15.635 1.00 0.00 N ATOM 872 CA GLN A 56 8.239 -12.122 -16.794 1.00 0.00 C ATOM 873 C GLN A 56 7.066 -11.246 -16.356 1.00 0.00 C ATOM 874 O GLN A 56 6.867 -10.183 -16.939 1.00 0.00 O ATOM 875 CB GLN A 56 7.780 -13.316 -17.645 1.00 0.00 C ATOM 876 CG GLN A 56 8.935 -13.923 -18.459 1.00 0.00 C ATOM 877 CD GLN A 56 9.132 -13.214 -19.803 1.00 0.00 C ATOM 878 OE1 GLN A 56 8.606 -13.649 -20.825 1.00 0.00 O ATOM 879 NE2 GLN A 56 9.871 -12.116 -19.862 1.00 0.00 N ATOM 0 H GLN A 56 9.025 -13.608 -15.548 1.00 0.00 H new ATOM 0 HA GLN A 56 8.888 -11.504 -17.414 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.353 -14.081 -16.996 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.989 -12.995 -18.323 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.856 -13.862 -17.880 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.737 -14.981 -18.634 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.310 -11.751 -19.017 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.001 -11.636 -20.753 1.00 0.00 H new ATOM 888 N ALA A 57 6.330 -11.624 -15.304 1.00 0.00 N ATOM 889 CA ALA A 57 5.258 -10.784 -14.782 1.00 0.00 C ATOM 890 C ALA A 57 5.786 -9.428 -14.303 1.00 0.00 C ATOM 891 O ALA A 57 5.136 -8.417 -14.568 1.00 0.00 O ATOM 892 CB ALA A 57 4.497 -11.496 -13.666 1.00 0.00 C ATOM 0 H ALA A 57 6.460 -12.503 -14.803 1.00 0.00 H new ATOM 0 HA ALA A 57 4.564 -10.596 -15.601 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.704 -10.847 -13.295 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.061 -12.417 -14.053 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.182 -11.733 -12.852 1.00 0.00 H new ATOM 898 N LYS A 58 6.954 -9.367 -13.644 1.00 0.00 N ATOM 899 CA LYS A 58 7.519 -8.087 -13.220 1.00 0.00 C ATOM 900 C LYS A 58 7.750 -7.199 -14.442 1.00 0.00 C ATOM 901 O LYS A 58 7.410 -6.016 -14.410 1.00 0.00 O ATOM 902 CB LYS A 58 8.791 -8.232 -12.361 1.00 0.00 C ATOM 903 CG LYS A 58 9.407 -6.845 -12.063 1.00 0.00 C ATOM 904 CD LYS A 58 10.351 -6.840 -10.856 1.00 0.00 C ATOM 905 CE LYS A 58 11.013 -5.464 -10.677 1.00 0.00 C ATOM 906 NZ LYS A 58 12.120 -5.484 -9.685 1.00 0.00 N ATOM 0 H LYS A 58 7.516 -10.182 -13.398 1.00 0.00 H new ATOM 0 HA LYS A 58 6.792 -7.608 -12.564 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.549 -8.737 -11.426 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.519 -8.855 -12.881 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.953 -6.503 -12.942 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.603 -6.130 -11.888 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.796 -7.100 -9.955 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.119 -7.602 -10.988 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.398 -5.123 -11.638 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.260 -4.742 -10.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.639 -4.583 -9.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.728 -5.616 -8.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.768 -6.267 -9.904 1.00 0.00 H new ATOM 920 N GLU A 59 8.310 -7.760 -15.515 1.00 0.00 N ATOM 921 CA GLU A 59 8.650 -7.011 -16.718 1.00 0.00 C ATOM 922 C GLU A 59 7.360 -6.504 -17.364 1.00 0.00 C ATOM 923 O GLU A 59 7.239 -5.321 -17.670 1.00 0.00 O ATOM 924 CB GLU A 59 9.439 -7.902 -17.695 1.00 0.00 C ATOM 925 CG GLU A 59 10.842 -8.262 -17.183 1.00 0.00 C ATOM 926 CD GLU A 59 11.537 -9.280 -18.106 1.00 0.00 C ATOM 927 OE1 GLU A 59 11.228 -10.492 -18.033 1.00 0.00 O ATOM 928 OE2 GLU A 59 12.410 -8.874 -18.908 1.00 0.00 O ATOM 0 H GLU A 59 8.540 -8.752 -15.571 1.00 0.00 H new ATOM 0 HA GLU A 59 9.281 -6.161 -16.459 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.878 -8.819 -17.875 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.529 -7.390 -18.653 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.448 -7.359 -17.115 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.768 -8.673 -16.176 1.00 0.00 H new ATOM 935 N ILE A 60 6.376 -7.392 -17.508 1.00 0.00 N ATOM 936 CA ILE A 60 5.077 -7.112 -18.100 1.00 0.00 C ATOM 937 C ILE A 60 4.386 -5.971 -17.345 1.00 0.00 C ATOM 938 O ILE A 60 3.947 -5.005 -17.970 1.00 0.00 O ATOM 939 CB ILE A 60 4.279 -8.440 -18.126 1.00 0.00 C ATOM 940 CG1 ILE A 60 4.796 -9.321 -19.289 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.763 -8.232 -18.229 1.00 0.00 C ATOM 942 CD1 ILE A 60 4.309 -10.774 -19.236 1.00 0.00 C ATOM 0 H ILE A 60 6.470 -8.361 -17.203 1.00 0.00 H new ATOM 0 HA ILE A 60 5.162 -6.757 -19.127 1.00 0.00 H new ATOM 0 HB ILE A 60 4.445 -8.943 -17.173 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.482 -8.878 -20.234 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.886 -9.314 -19.280 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.263 -9.200 -18.243 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.416 -7.656 -17.371 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.531 -7.691 -19.147 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.715 -11.325 -20.085 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.646 -11.237 -18.308 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.220 -10.794 -19.277 1.00 0.00 H new ATOM 954 N LEU A 61 4.304 -6.047 -16.015 1.00 0.00 N ATOM 955 CA LEU A 61 3.602 -5.031 -15.238 1.00 0.00 C ATOM 956 C LEU A 61 4.365 -3.703 -15.266 1.00 0.00 C ATOM 957 O LEU A 61 3.743 -2.639 -15.290 1.00 0.00 O ATOM 958 CB LEU A 61 3.361 -5.510 -13.801 1.00 0.00 C ATOM 959 CG LEU A 61 2.381 -6.694 -13.673 1.00 0.00 C ATOM 960 CD1 LEU A 61 2.185 -7.033 -12.191 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.021 -6.435 -14.329 1.00 0.00 C ATOM 0 H LEU A 61 4.713 -6.798 -15.459 1.00 0.00 H new ATOM 0 HA LEU A 61 2.627 -4.863 -15.696 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.317 -5.798 -13.363 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.980 -4.675 -13.213 1.00 0.00 H new ATOM 0 HG LEU A 61 2.827 -7.533 -14.207 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.493 -7.870 -12.098 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.144 -7.305 -11.750 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.779 -6.166 -11.670 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.383 -7.309 -14.201 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.550 -5.570 -13.861 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.161 -6.241 -15.392 1.00 0.00 H new ATOM 973 N SER A 62 5.700 -3.744 -15.311 1.00 0.00 N ATOM 974 CA SER A 62 6.511 -2.541 -15.456 1.00 0.00 C ATOM 975 C SER A 62 6.257 -1.879 -16.819 1.00 0.00 C ATOM 976 O SER A 62 6.116 -0.659 -16.884 1.00 0.00 O ATOM 977 CB SER A 62 7.995 -2.875 -15.262 1.00 0.00 C ATOM 978 OG SER A 62 8.215 -3.504 -14.011 1.00 0.00 O ATOM 0 H SER A 62 6.241 -4.606 -15.248 1.00 0.00 H new ATOM 0 HA SER A 62 6.224 -1.827 -14.684 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.332 -3.529 -16.066 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.588 -1.962 -15.323 1.00 0.00 H new ATOM 0 HG SER A 62 8.269 -4.474 -14.138 1.00 0.00 H new ATOM 984 N GLU A 63 6.125 -2.658 -17.900 1.00 0.00 N ATOM 985 CA GLU A 63 5.789 -2.144 -19.227 1.00 0.00 C ATOM 986 C GLU A 63 4.360 -1.581 -19.260 1.00 0.00 C ATOM 987 O GLU A 63 4.109 -0.593 -19.952 1.00 0.00 O ATOM 988 CB GLU A 63 5.973 -3.242 -20.291 1.00 0.00 C ATOM 989 CG GLU A 63 7.446 -3.553 -20.603 1.00 0.00 C ATOM 990 CD GLU A 63 8.149 -2.400 -21.342 1.00 0.00 C ATOM 991 OE1 GLU A 63 8.003 -2.285 -22.581 1.00 0.00 O ATOM 992 OE2 GLU A 63 8.875 -1.606 -20.701 1.00 0.00 O ATOM 0 H GLU A 63 6.250 -3.670 -17.874 1.00 0.00 H new ATOM 0 HA GLU A 63 6.471 -1.325 -19.456 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.482 -4.153 -19.950 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.472 -2.935 -21.209 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.975 -3.760 -19.673 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.502 -4.457 -21.210 1.00 0.00 H new ATOM 999 N MET A 64 3.437 -2.148 -18.473 1.00 0.00 N ATOM 1000 CA MET A 64 2.097 -1.597 -18.242 1.00 0.00 C ATOM 1001 C MET A 64 2.129 -0.319 -17.384 1.00 0.00 C ATOM 1002 O MET A 64 1.078 0.278 -17.134 1.00 0.00 O ATOM 1003 CB MET A 64 1.195 -2.662 -17.597 1.00 0.00 C ATOM 1004 CG MET A 64 0.840 -3.794 -18.567 1.00 0.00 C ATOM 1005 SD MET A 64 0.181 -5.293 -17.787 1.00 0.00 S ATOM 1006 CE MET A 64 -1.184 -4.635 -16.790 1.00 0.00 C ATOM 0 H MET A 64 3.605 -3.019 -17.970 1.00 0.00 H new ATOM 0 HA MET A 64 1.686 -1.315 -19.211 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.698 -3.079 -16.724 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.278 -2.191 -17.242 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.107 -3.422 -19.283 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.732 -4.060 -19.134 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.822 -5.455 -16.461 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.782 -4.116 -15.920 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.769 -3.938 -17.390 1.00 0.00 H new ATOM 1016 N GLY A 65 3.303 0.124 -16.928 1.00 0.00 N ATOM 1017 CA GLY A 65 3.482 1.396 -16.248 1.00 0.00 C ATOM 1018 C GLY A 65 3.177 1.321 -14.754 1.00 0.00 C ATOM 1019 O GLY A 65 2.976 2.367 -14.138 1.00 0.00 O ATOM 0 H GLY A 65 4.169 -0.406 -17.026 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.509 1.735 -16.387 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.835 2.142 -16.709 1.00 0.00 H new ATOM 1023 N TYR A 66 3.111 0.124 -14.161 1.00 0.00 N ATOM 1024 CA TYR A 66 3.032 -0.010 -12.711 1.00 0.00 C ATOM 1025 C TYR A 66 4.402 0.392 -12.164 1.00 0.00 C ATOM 1026 O TYR A 66 5.432 -0.121 -12.609 1.00 0.00 O ATOM 1027 CB TYR A 66 2.579 -1.421 -12.302 1.00 0.00 C ATOM 1028 CG TYR A 66 1.102 -1.698 -12.549 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.588 -1.709 -13.862 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.228 -1.913 -11.463 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -0.791 -1.851 -14.089 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -1.151 -2.087 -11.683 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.670 -2.020 -12.996 1.00 0.00 C ATOM 1034 OH TYR A 66 -3.014 -2.101 -13.204 1.00 0.00 O ATOM 0 H TYR A 66 3.111 -0.762 -14.666 1.00 0.00 H new ATOM 0 HA TYR A 66 2.272 0.643 -12.281 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.171 -2.154 -12.850 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.792 -1.566 -11.243 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.261 -1.607 -14.701 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.619 -1.944 -10.457 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.178 -1.831 -15.097 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.812 -2.272 -10.849 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.471 -2.217 -12.345 1.00 0.00 H new ATOM 1044 N THR A 67 4.424 1.339 -11.228 1.00 0.00 N ATOM 1045 CA THR A 67 5.630 2.034 -10.793 1.00 0.00 C ATOM 1046 C THR A 67 6.287 1.401 -9.562 1.00 0.00 C ATOM 1047 O THR A 67 7.393 1.806 -9.197 1.00 0.00 O ATOM 1048 CB THR A 67 5.269 3.512 -10.546 1.00 0.00 C ATOM 1049 OG1 THR A 67 4.078 3.609 -9.785 1.00 0.00 O ATOM 1050 CG2 THR A 67 5.026 4.254 -11.864 1.00 0.00 C ATOM 0 H THR A 67 3.584 1.650 -10.741 1.00 0.00 H new ATOM 0 HA THR A 67 6.379 1.952 -11.581 1.00 0.00 H new ATOM 0 HB THR A 67 6.110 3.958 -10.015 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.939 4.540 -9.512 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.774 5.294 -11.655 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.928 4.215 -12.475 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.203 3.782 -12.401 1.00 0.00 H new ATOM 1058 N HIS A 68 5.646 0.411 -8.927 1.00 0.00 N ATOM 1059 CA HIS A 68 6.110 -0.152 -7.659 1.00 0.00 C ATOM 1060 C HIS A 68 6.045 -1.683 -7.644 1.00 0.00 C ATOM 1061 O HIS A 68 5.966 -2.311 -6.591 1.00 0.00 O ATOM 1062 CB HIS A 68 5.353 0.525 -6.496 1.00 0.00 C ATOM 1063 CG HIS A 68 6.258 1.081 -5.430 1.00 0.00 C ATOM 1064 ND1 HIS A 68 6.381 0.638 -4.132 1.00 0.00 N ATOM 1065 CD2 HIS A 68 7.071 2.174 -5.564 1.00 0.00 C ATOM 1066 CE1 HIS A 68 7.255 1.440 -3.502 1.00 0.00 C ATOM 1067 NE2 HIS A 68 7.710 2.396 -4.336 1.00 0.00 N ATOM 0 H HIS A 68 4.792 -0.020 -9.280 1.00 0.00 H new ATOM 0 HA HIS A 68 7.170 0.067 -7.530 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.737 1.331 -6.895 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.676 -0.200 -6.044 1.00 0.00 H new ATOM 0 HD1 HIS A 68 5.894 -0.159 -3.721 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.198 2.763 -6.460 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.552 1.333 -2.469 1.00 0.00 H new ATOM 1075 N VAL A 69 6.090 -2.294 -8.826 1.00 0.00 N ATOM 1076 CA VAL A 69 6.153 -3.746 -8.968 1.00 0.00 C ATOM 1077 C VAL A 69 7.423 -4.242 -8.272 1.00 0.00 C ATOM 1078 O VAL A 69 8.465 -3.581 -8.344 1.00 0.00 O ATOM 1079 CB VAL A 69 6.157 -4.147 -10.459 1.00 0.00 C ATOM 1080 CG1 VAL A 69 6.046 -5.668 -10.637 1.00 0.00 C ATOM 1081 CG2 VAL A 69 5.007 -3.495 -11.235 1.00 0.00 C ATOM 0 H VAL A 69 6.084 -1.794 -9.715 1.00 0.00 H new ATOM 0 HA VAL A 69 5.276 -4.202 -8.508 1.00 0.00 H new ATOM 0 HB VAL A 69 7.109 -3.794 -10.855 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.052 -5.911 -11.699 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.891 -6.154 -10.149 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.116 -6.020 -10.189 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.050 -3.806 -12.279 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.055 -3.804 -10.803 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.097 -2.410 -11.175 1.00 0.00 H new ATOM 1091 N GLU A 70 7.372 -5.426 -7.661 1.00 0.00 N ATOM 1092 CA GLU A 70 8.566 -6.093 -7.173 1.00 0.00 C ATOM 1093 C GLU A 70 8.454 -7.588 -7.444 1.00 0.00 C ATOM 1094 O GLU A 70 7.356 -8.144 -7.484 1.00 0.00 O ATOM 1095 CB GLU A 70 8.785 -5.784 -5.682 1.00 0.00 C ATOM 1096 CG GLU A 70 10.141 -6.257 -5.139 1.00 0.00 C ATOM 1097 CD GLU A 70 11.345 -5.728 -5.942 1.00 0.00 C ATOM 1098 OE1 GLU A 70 11.590 -6.241 -7.060 1.00 0.00 O ATOM 1099 OE2 GLU A 70 12.046 -4.808 -5.463 1.00 0.00 O ATOM 0 H GLU A 70 6.507 -5.941 -7.494 1.00 0.00 H new ATOM 0 HA GLU A 70 9.442 -5.719 -7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.699 -4.708 -5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.990 -6.254 -5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.239 -5.938 -4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.164 -7.347 -5.141 1.00 0.00 H new ATOM 1106 N ASN A 71 9.594 -8.244 -7.637 1.00 0.00 N ATOM 1107 CA ASN A 71 9.655 -9.677 -7.852 1.00 0.00 C ATOM 1108 C ASN A 71 10.079 -10.330 -6.545 1.00 0.00 C ATOM 1109 O ASN A 71 11.077 -9.919 -5.949 1.00 0.00 O ATOM 1110 CB ASN A 71 10.655 -10.012 -8.961 1.00 0.00 C ATOM 1111 CG ASN A 71 10.622 -11.507 -9.205 1.00 0.00 C ATOM 1112 OD1 ASN A 71 11.374 -12.270 -8.613 1.00 0.00 O ATOM 1113 ND2 ASN A 71 9.690 -11.958 -10.020 1.00 0.00 N ATOM 0 H ASN A 71 10.506 -7.788 -7.648 1.00 0.00 H new ATOM 0 HA ASN A 71 8.679 -10.050 -8.162 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.402 -9.474 -9.874 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.658 -9.697 -8.674 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.584 -12.962 -10.168 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.074 -11.303 -10.503 1.00 0.00 H new ATOM 1120 N ALA A 72 9.334 -11.348 -6.117 1.00 0.00 N ATOM 1121 CA ALA A 72 9.560 -12.048 -4.863 1.00 0.00 C ATOM 1122 C ALA A 72 10.046 -13.490 -5.095 1.00 0.00 C ATOM 1123 O ALA A 72 10.131 -14.265 -4.142 1.00 0.00 O ATOM 1124 CB ALA A 72 8.290 -11.975 -4.011 1.00 0.00 C ATOM 0 H ALA A 72 8.542 -11.713 -6.646 1.00 0.00 H new ATOM 0 HA ALA A 72 10.364 -11.558 -4.314 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.453 -12.498 -3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.047 -10.932 -3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.465 -12.443 -4.548 1.00 0.00 H new ATOM 1130 N GLY A 73 10.394 -13.856 -6.334 1.00 0.00 N ATOM 1131 CA GLY A 73 11.068 -15.112 -6.636 1.00 0.00 C ATOM 1132 C GLY A 73 10.093 -16.277 -6.753 1.00 0.00 C ATOM 1133 O GLY A 73 8.973 -16.118 -7.254 1.00 0.00 O ATOM 0 H GLY A 73 10.212 -13.281 -7.157 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.622 -15.009 -7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.797 -15.328 -5.855 1.00 0.00 H new ATOM 1137 N GLY A 74 10.549 -17.461 -6.337 1.00 0.00 N ATOM 1138 CA GLY A 74 9.781 -18.695 -6.371 1.00 0.00 C ATOM 1139 C GLY A 74 9.427 -19.134 -4.955 1.00 0.00 C ATOM 1140 O GLY A 74 10.197 -18.906 -4.020 1.00 0.00 O ATOM 0 H GLY A 74 11.488 -17.585 -5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.871 -18.549 -6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.356 -19.476 -6.869 1.00 0.00 H new ATOM 1144 N LEU A 75 8.269 -19.782 -4.800 1.00 0.00 N ATOM 1145 CA LEU A 75 7.633 -20.106 -3.520 1.00 0.00 C ATOM 1146 C LEU A 75 8.543 -20.855 -2.539 1.00 0.00 C ATOM 1147 O LEU A 75 8.419 -20.684 -1.322 1.00 0.00 O ATOM 1148 CB LEU A 75 6.344 -20.895 -3.810 1.00 0.00 C ATOM 1149 CG LEU A 75 5.499 -21.218 -2.565 1.00 0.00 C ATOM 1150 CD1 LEU A 75 5.100 -19.960 -1.785 1.00 0.00 C ATOM 1151 CD2 LEU A 75 4.225 -21.938 -3.004 1.00 0.00 C ATOM 0 H LEU A 75 7.725 -20.109 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 75 7.405 -19.169 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.733 -20.324 -4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.609 -21.829 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 75 6.107 -21.842 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.505 -20.244 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.997 -19.437 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.513 -19.304 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.619 -22.171 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.658 -21.296 -3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.488 -22.861 -3.520 1.00 0.00 H new ATOM 1163 N LYS A 76 9.468 -21.668 -3.055 1.00 0.00 N ATOM 1164 CA LYS A 76 10.416 -22.438 -2.251 1.00 0.00 C ATOM 1165 C LYS A 76 11.445 -21.574 -1.509 1.00 0.00 C ATOM 1166 O LYS A 76 12.117 -22.094 -0.618 1.00 0.00 O ATOM 1167 CB LYS A 76 11.109 -23.490 -3.140 1.00 0.00 C ATOM 1168 CG LYS A 76 11.976 -22.887 -4.262 1.00 0.00 C ATOM 1169 CD LYS A 76 12.630 -23.992 -5.102 1.00 0.00 C ATOM 1170 CE LYS A 76 13.499 -23.374 -6.207 1.00 0.00 C ATOM 1171 NZ LYS A 76 14.179 -24.407 -7.028 1.00 0.00 N ATOM 0 H LYS A 76 9.580 -21.811 -4.059 1.00 0.00 H new ATOM 0 HA LYS A 76 9.842 -22.934 -1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.734 -24.126 -2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.349 -24.131 -3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.361 -22.254 -4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.747 -22.250 -3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.240 -24.631 -4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.861 -24.625 -5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.877 -22.752 -6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.246 -22.720 -5.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.754 -23.945 -7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.793 -24.985 -6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.467 -25.016 -7.480 1.00 0.00 H new ATOM 1185 N ASP A 77 11.588 -20.289 -1.850 1.00 0.00 N ATOM 1186 CA ASP A 77 12.691 -19.438 -1.381 1.00 0.00 C ATOM 1187 C ASP A 77 12.205 -18.162 -0.678 1.00 0.00 C ATOM 1188 O ASP A 77 13.015 -17.381 -0.180 1.00 0.00 O ATOM 1189 CB ASP A 77 13.592 -19.109 -2.582 1.00 0.00 C ATOM 1190 CG ASP A 77 14.872 -18.355 -2.182 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.694 -18.909 -1.416 1.00 0.00 O ATOM 1192 OD2 ASP A 77 15.102 -17.231 -2.685 1.00 0.00 O ATOM 0 H ASP A 77 10.935 -19.804 -2.466 1.00 0.00 H new ATOM 0 HA ASP A 77 13.256 -19.985 -0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.865 -20.034 -3.089 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.031 -18.508 -3.297 1.00 0.00 H new ATOM 1197 N ILE A 78 10.886 -17.941 -0.604 1.00 0.00 N ATOM 1198 CA ILE A 78 10.307 -16.717 -0.030 1.00 0.00 C ATOM 1199 C ILE A 78 10.577 -16.642 1.487 1.00 0.00 C ATOM 1200 O ILE A 78 10.709 -15.541 2.025 1.00 0.00 O ATOM 1201 CB ILE A 78 8.801 -16.597 -0.395 1.00 0.00 C ATOM 1202 CG1 ILE A 78 8.619 -16.763 -1.922 1.00 0.00 C ATOM 1203 CG2 ILE A 78 8.213 -15.247 0.054 1.00 0.00 C ATOM 1204 CD1 ILE A 78 7.204 -16.557 -2.468 1.00 0.00 C ATOM 0 H ILE A 78 10.189 -18.605 -0.940 1.00 0.00 H new ATOM 0 HA ILE A 78 10.799 -15.849 -0.470 1.00 0.00 H new ATOM 0 HB ILE A 78 8.265 -17.387 0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.284 -16.059 -2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.949 -17.765 -2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.159 -15.201 -0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.313 -15.148 1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.750 -14.435 -0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.207 -16.700 -3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.528 -17.278 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.868 -15.546 -2.237 1.00 0.00 H new ATOM 1216 N ALA A 79 10.724 -17.794 2.161 1.00 0.00 N ATOM 1217 CA ALA A 79 10.958 -17.908 3.603 1.00 0.00 C ATOM 1218 C ALA A 79 9.958 -17.063 4.416 1.00 0.00 C ATOM 1219 O ALA A 79 10.340 -16.272 5.283 1.00 0.00 O ATOM 1220 CB ALA A 79 12.435 -17.629 3.926 1.00 0.00 C ATOM 0 H ALA A 79 10.681 -18.701 1.697 1.00 0.00 H new ATOM 0 HA ALA A 79 10.765 -18.934 3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.595 -17.717 5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.064 -18.351 3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 79 12.694 -16.621 3.602 1.00 0.00 H new ATOM 1226 N MET A 80 8.668 -17.234 4.114 1.00 0.00 N ATOM 1227 CA MET A 80 7.535 -16.581 4.770 1.00 0.00 C ATOM 1228 C MET A 80 6.456 -17.638 5.043 1.00 0.00 C ATOM 1229 O MET A 80 6.489 -18.698 4.407 1.00 0.00 O ATOM 1230 CB MET A 80 6.992 -15.461 3.863 1.00 0.00 C ATOM 1231 CG MET A 80 7.838 -14.189 3.996 1.00 0.00 C ATOM 1232 SD MET A 80 7.322 -12.790 2.963 1.00 0.00 S ATOM 1233 CE MET A 80 5.655 -12.458 3.600 1.00 0.00 C ATOM 0 H MET A 80 8.372 -17.863 3.368 1.00 0.00 H new ATOM 0 HA MET A 80 7.844 -16.133 5.714 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.992 -15.796 2.826 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.957 -15.243 4.127 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.823 -13.872 5.039 1.00 0.00 H new ATOM 0 HG3 MET A 80 8.872 -14.435 3.753 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.280 -11.528 3.172 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.991 -13.278 3.326 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.692 -12.368 4.686 1.00 0.00 H new ATOM 1243 N PRO A 81 5.510 -17.387 5.970 1.00 0.00 N ATOM 1244 CA PRO A 81 4.477 -18.354 6.319 1.00 0.00 C ATOM 1245 C PRO A 81 3.592 -18.699 5.119 1.00 0.00 C ATOM 1246 O PRO A 81 3.427 -17.908 4.183 1.00 0.00 O ATOM 1247 CB PRO A 81 3.687 -17.738 7.480 1.00 0.00 C ATOM 1248 CG PRO A 81 3.959 -16.242 7.355 1.00 0.00 C ATOM 1249 CD PRO A 81 5.382 -16.199 6.805 1.00 0.00 C ATOM 0 HA PRO A 81 4.913 -19.306 6.621 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.623 -17.959 7.401 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.022 -18.126 8.442 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.251 -15.757 6.682 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.882 -15.736 8.317 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.552 -15.291 6.226 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.115 -16.205 7.611 1.00 0.00 H new ATOM 1257 N LYS A 82 2.987 -19.886 5.169 1.00 0.00 N ATOM 1258 CA LYS A 82 2.263 -20.488 4.055 1.00 0.00 C ATOM 1259 C LYS A 82 0.859 -20.887 4.500 1.00 0.00 C ATOM 1260 O LYS A 82 0.504 -20.787 5.678 1.00 0.00 O ATOM 1261 CB LYS A 82 3.020 -21.738 3.536 1.00 0.00 C ATOM 1262 CG LYS A 82 4.499 -21.553 3.149 1.00 0.00 C ATOM 1263 CD LYS A 82 4.691 -20.573 1.982 1.00 0.00 C ATOM 1264 CE LYS A 82 6.160 -20.322 1.593 1.00 0.00 C ATOM 1265 NZ LYS A 82 6.862 -21.521 1.070 1.00 0.00 N ATOM 0 H LYS A 82 2.988 -20.468 6.007 1.00 0.00 H new ATOM 0 HA LYS A 82 2.191 -19.757 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.965 -22.509 4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.487 -22.118 2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.054 -21.193 4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.923 -22.520 2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.158 -20.956 1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.230 -19.621 2.244 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.196 -19.536 0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.698 -19.951 2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.510 -21.239 0.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.404 -21.968 1.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.164 -22.198 0.700 1.00 0.00 H new ATOM 1279 N VAL A 83 0.080 -21.360 3.540 1.00 0.00 N ATOM 1280 CA VAL A 83 -1.180 -22.068 3.696 1.00 0.00 C ATOM 1281 C VAL A 83 -1.048 -23.218 2.695 1.00 0.00 C ATOM 1282 O VAL A 83 -0.420 -23.050 1.644 1.00 0.00 O ATOM 1283 CB VAL A 83 -2.373 -21.134 3.407 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -3.718 -21.877 3.355 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -2.487 -20.041 4.479 1.00 0.00 C ATOM 0 H VAL A 83 0.332 -21.250 2.558 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.371 -22.431 4.706 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.171 -20.701 2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.518 -21.167 3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.688 -22.629 2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.903 -22.363 4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.336 -19.396 4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.633 -20.503 5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.573 -19.447 4.492 1.00 0.00 H new ATOM 1295 N LYS A 84 -1.581 -24.394 3.031 1.00 0.00 N ATOM 1296 CA LYS A 84 -1.357 -25.630 2.286 1.00 0.00 C ATOM 1297 C LYS A 84 -2.671 -26.387 2.139 1.00 0.00 C ATOM 1298 O LYS A 84 -3.587 -26.204 2.948 1.00 0.00 O ATOM 1299 CB LYS A 84 -0.313 -26.500 3.011 1.00 0.00 C ATOM 1300 CG LYS A 84 1.114 -25.925 2.936 1.00 0.00 C ATOM 1301 CD LYS A 84 2.157 -26.813 3.631 1.00 0.00 C ATOM 1302 CE LYS A 84 1.943 -26.885 5.151 1.00 0.00 C ATOM 1303 NZ LYS A 84 2.984 -27.701 5.826 1.00 0.00 N ATOM 0 H LYS A 84 -2.189 -24.514 3.841 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.978 -25.388 1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.601 -26.605 4.057 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.318 -27.500 2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.393 -25.797 1.890 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.125 -24.935 3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.112 -27.818 3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.155 -26.426 3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.949 -25.877 5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.960 -27.309 5.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.800 -27.722 6.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.962 -28.671 5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.920 -27.283 5.651 1.00 0.00 H new ATOM 1317 N GLY A 85 -2.751 -27.234 1.112 1.00 0.00 N ATOM 1318 CA GLY A 85 -3.866 -28.143 0.891 1.00 0.00 C ATOM 1319 C GLY A 85 -4.075 -29.027 2.115 1.00 0.00 C ATOM 1320 O GLY A 85 -5.229 -29.154 2.570 1.00 0.00 O ATOM 1321 OXT GLY A 85 -3.085 -29.602 2.613 1.00 0.00 O ATOM 0 H GLY A 85 -2.026 -27.305 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.773 -27.574 0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.672 -28.762 0.015 1.00 0.00 H new