USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=16 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 67 THR OG1 : rot 180:sc= -0.163 USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0 X(o=-0.16,f=-0.16) USER MOD Set 2.1: A 54 SER OG : rot 178:sc= 1.59 USER MOD Set 2.2: A 71 ASN : amide:sc= -0.548 X(o=1,f=1.1) USER MOD Set 3.1: A 48 CYS SG : rot 129:sc= -1.65 USER MOD Set 3.2: A 53 GLN : amide:sc= 0.517 K(o=-1.1,f=-1.7) USER MOD Set 4.1: A 13 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 17 HIS : no HE2:sc= 0.718 K(o=0.72,f=-2.3!) USER MOD Set 5.1: A 12 GLN : amide:sc= 0.796 K(o=1.6,f=-1.8) USER MOD Set 5.2: A 49 ASN : amide:sc= 0.818 K(o=1.6,f=-1) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.0084) USER MOD Single : A 14 GLN : amide:sc= 0.754 K(o=0.75,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.91 K(o=0.91,f=0) USER MOD Single : A 19 GLN : amide:sc= 0.92 K(o=0.92,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.1 K(o=1.1,f=-0.54) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 176:sc= 1.18 (180deg=1.16) USER MOD Single : A 41 ASN : amide:sc= -0.0395 X(o=-0.04,f=-0.04) USER MOD Single : A 43 THR OG1 : rot 86:sc= 0.846 USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.13) USER MOD Single : A 47 TYR OH : rot 130:sc= 0.255 USER MOD Single : A 56 GLN : amide:sc= 0.966 K(o=0.97,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= 1.21 (180deg=1.2) USER MOD Single : A 62 SER OG : rot 90:sc= 1.29 USER MOD Single : A 64 MET CE :methyl 172:sc= 0 (180deg=-0.102) USER MOD Single : A 66 TYR OH : rot -172:sc= 1.27 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -174:sc= 0 (180deg=-0.0302) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 2.25 (180deg=2.25) USER MOD Single : A 84 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.524 0.689 0.919 1.00 0.00 N ATOM 2 CA ALA A 1 1.231 0.552 -0.526 1.00 0.00 C ATOM 3 C ALA A 1 1.868 -0.734 -1.070 1.00 0.00 C ATOM 4 O ALA A 1 2.908 -0.682 -1.729 1.00 0.00 O ATOM 5 CB ALA A 1 1.684 1.805 -1.305 1.00 0.00 C ATOM 0 H1 ALA A 1 1.089 1.562 1.280 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.135 -0.129 1.431 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.553 0.730 1.062 1.00 0.00 H new ATOM 0 HA ALA A 1 0.153 0.473 -0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.457 1.677 -2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.158 2.680 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.758 1.944 -1.179 1.00 0.00 H new ATOM 13 N GLU A 2 1.275 -1.903 -0.803 1.00 0.00 N ATOM 14 CA GLU A 2 1.821 -3.215 -1.147 1.00 0.00 C ATOM 15 C GLU A 2 0.653 -4.191 -1.344 1.00 0.00 C ATOM 16 O GLU A 2 -0.337 -4.128 -0.610 1.00 0.00 O ATOM 17 CB GLU A 2 2.733 -3.682 0.006 1.00 0.00 C ATOM 18 CG GLU A 2 3.378 -5.057 -0.222 1.00 0.00 C ATOM 19 CD GLU A 2 4.186 -5.517 1.003 1.00 0.00 C ATOM 20 OE1 GLU A 2 5.300 -4.995 1.230 1.00 0.00 O ATOM 21 OE2 GLU A 2 3.737 -6.441 1.717 1.00 0.00 O ATOM 0 H GLU A 2 0.375 -1.961 -0.327 1.00 0.00 H new ATOM 0 HA GLU A 2 2.405 -3.171 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.521 -2.943 0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.150 -3.714 0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.603 -5.791 -0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.032 -5.012 -1.093 1.00 0.00 H new ATOM 28 N HIS A 3 0.803 -5.119 -2.291 1.00 0.00 N ATOM 29 CA HIS A 3 -0.041 -6.289 -2.507 1.00 0.00 C ATOM 30 C HIS A 3 0.887 -7.443 -2.885 1.00 0.00 C ATOM 31 O HIS A 3 2.023 -7.211 -3.301 1.00 0.00 O ATOM 32 CB HIS A 3 -1.034 -6.069 -3.659 1.00 0.00 C ATOM 33 CG HIS A 3 -2.016 -4.944 -3.465 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.877 -4.758 -2.406 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.261 -3.945 -4.364 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.611 -3.661 -2.658 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.277 -3.130 -3.849 1.00 0.00 N ATOM 0 H HIS A 3 1.565 -5.068 -2.967 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.616 -6.491 -1.603 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.468 -5.880 -4.572 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.592 -6.992 -3.815 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.758 -3.807 -5.310 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.365 -3.261 -1.996 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.681 -2.303 -4.287 1.00 0.00 H new ATOM 45 N TRP A 4 0.393 -8.677 -2.821 1.00 0.00 N ATOM 46 CA TRP A 4 1.138 -9.859 -3.227 1.00 0.00 C ATOM 47 C TRP A 4 0.258 -10.633 -4.193 1.00 0.00 C ATOM 48 O TRP A 4 -0.912 -10.878 -3.890 1.00 0.00 O ATOM 49 CB TRP A 4 1.473 -10.721 -2.007 1.00 0.00 C ATOM 50 CG TRP A 4 2.547 -10.204 -1.099 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.442 -9.125 -0.293 1.00 0.00 C ATOM 52 CD2 TRP A 4 3.886 -10.744 -0.862 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.614 -8.944 0.407 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.538 -9.924 0.111 1.00 0.00 C ATOM 55 CE3 TRP A 4 4.614 -11.851 -1.358 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.838 -10.189 0.567 1.00 0.00 C ATOM 57 CZ3 TRP A 4 5.910 -12.137 -0.889 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.525 -11.307 0.066 1.00 0.00 C ATOM 0 H TRP A 4 -0.546 -8.883 -2.482 1.00 0.00 H new ATOM 0 HA TRP A 4 2.079 -9.578 -3.701 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.563 -10.851 -1.421 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.769 -11.709 -2.358 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.568 -8.497 -0.210 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.778 -8.180 1.063 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.168 -12.487 -2.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.305 -9.541 1.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.437 -13.001 -1.266 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.523 -11.529 0.413 1.00 0.00 H new ATOM 69 N ILE A 5 0.813 -11.017 -5.340 1.00 0.00 N ATOM 70 CA ILE A 5 0.071 -11.614 -6.437 1.00 0.00 C ATOM 71 C ILE A 5 0.861 -12.841 -6.880 1.00 0.00 C ATOM 72 O ILE A 5 1.943 -12.740 -7.461 1.00 0.00 O ATOM 73 CB ILE A 5 -0.152 -10.594 -7.581 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.871 -9.295 -7.144 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.925 -11.250 -8.737 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.310 -9.435 -6.644 1.00 0.00 C ATOM 0 H ILE A 5 1.810 -10.918 -5.532 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.930 -11.914 -6.127 1.00 0.00 H new ATOM 0 HB ILE A 5 0.845 -10.296 -7.907 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.281 -8.830 -6.354 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.871 -8.607 -7.989 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.075 -10.522 -9.534 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.356 -12.097 -9.121 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.893 -11.597 -8.376 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.697 -8.454 -6.370 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.929 -9.862 -7.433 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.330 -10.089 -5.772 1.00 0.00 H new ATOM 88 N ASP A 6 0.332 -14.012 -6.559 1.00 0.00 N ATOM 89 CA ASP A 6 0.807 -15.265 -7.106 1.00 0.00 C ATOM 90 C ASP A 6 0.388 -15.304 -8.578 1.00 0.00 C ATOM 91 O ASP A 6 -0.796 -15.130 -8.878 1.00 0.00 O ATOM 92 CB ASP A 6 0.165 -16.418 -6.343 1.00 0.00 C ATOM 93 CG ASP A 6 0.558 -17.747 -6.969 1.00 0.00 C ATOM 94 OD1 ASP A 6 -0.160 -18.169 -7.896 1.00 0.00 O ATOM 95 OD2 ASP A 6 1.542 -18.375 -6.515 1.00 0.00 O ATOM 0 H ASP A 6 -0.445 -14.116 -5.906 1.00 0.00 H new ATOM 0 HA ASP A 6 1.890 -15.354 -7.018 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.479 -16.392 -5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.920 -16.310 -6.352 1.00 0.00 H new ATOM 100 N VAL A 7 1.336 -15.538 -9.488 1.00 0.00 N ATOM 101 CA VAL A 7 1.097 -15.626 -10.930 1.00 0.00 C ATOM 102 C VAL A 7 1.225 -17.072 -11.425 1.00 0.00 C ATOM 103 O VAL A 7 1.435 -17.319 -12.618 1.00 0.00 O ATOM 104 CB VAL A 7 1.985 -14.624 -11.701 1.00 0.00 C ATOM 105 CG1 VAL A 7 1.694 -13.175 -11.283 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.491 -14.905 -11.562 1.00 0.00 C ATOM 0 H VAL A 7 2.315 -15.675 -9.236 1.00 0.00 H new ATOM 0 HA VAL A 7 0.067 -15.332 -11.134 1.00 0.00 H new ATOM 0 HB VAL A 7 1.723 -14.761 -12.750 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.337 -12.498 -11.846 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.650 -12.939 -11.489 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.888 -13.058 -10.217 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.053 -14.163 -12.129 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.776 -14.851 -10.511 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.713 -15.900 -11.947 1.00 0.00 H new ATOM 116 N ARG A 8 1.151 -18.031 -10.503 1.00 0.00 N ATOM 117 CA ARG A 8 1.392 -19.444 -10.737 1.00 0.00 C ATOM 118 C ARG A 8 0.123 -20.096 -11.267 1.00 0.00 C ATOM 119 O ARG A 8 -0.971 -19.532 -11.158 1.00 0.00 O ATOM 120 CB ARG A 8 1.794 -20.049 -9.383 1.00 0.00 C ATOM 121 CG ARG A 8 2.775 -21.221 -9.430 1.00 0.00 C ATOM 122 CD ARG A 8 2.927 -21.910 -8.060 1.00 0.00 C ATOM 123 NE ARG A 8 2.651 -21.033 -6.904 1.00 0.00 N ATOM 124 CZ ARG A 8 2.219 -21.459 -5.717 1.00 0.00 C ATOM 125 NH1 ARG A 8 2.337 -22.727 -5.337 1.00 0.00 N ATOM 126 NH2 ARG A 8 1.629 -20.593 -4.914 1.00 0.00 N ATOM 0 H ARG A 8 0.911 -17.830 -9.532 1.00 0.00 H new ATOM 0 HA ARG A 8 2.177 -19.604 -11.476 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.233 -19.260 -8.772 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.889 -20.380 -8.874 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.433 -21.950 -10.165 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.749 -20.864 -9.765 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.254 -22.766 -8.020 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.942 -22.298 -7.972 1.00 0.00 H new ATOM 0 HE ARG A 8 2.802 -20.031 -7.022 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.769 -23.408 -5.961 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.995 -23.019 -4.421 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.513 -19.623 -5.207 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.290 -20.894 -4.000 1.00 0.00 H new ATOM 140 N VAL A 9 0.261 -21.308 -11.806 1.00 0.00 N ATOM 141 CA VAL A 9 -0.896 -22.111 -12.173 1.00 0.00 C ATOM 142 C VAL A 9 -1.733 -22.375 -10.906 1.00 0.00 C ATOM 143 O VAL A 9 -1.171 -22.686 -9.848 1.00 0.00 O ATOM 144 CB VAL A 9 -0.478 -23.393 -12.927 1.00 0.00 C ATOM 145 CG1 VAL A 9 0.124 -23.034 -14.295 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.524 -24.274 -12.163 1.00 0.00 C ATOM 0 H VAL A 9 1.160 -21.750 -11.996 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.525 -21.570 -12.879 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.393 -23.974 -13.040 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.414 -23.947 -14.816 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.616 -22.497 -14.889 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.001 -22.403 -14.152 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.765 -25.153 -12.761 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.434 -23.706 -11.969 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.084 -24.589 -11.217 1.00 0.00 H new ATOM 156 N PRO A 10 -3.071 -22.267 -10.978 1.00 0.00 N ATOM 157 CA PRO A 10 -3.917 -22.270 -9.790 1.00 0.00 C ATOM 158 C PRO A 10 -3.973 -23.642 -9.107 1.00 0.00 C ATOM 159 O PRO A 10 -4.241 -23.725 -7.907 1.00 0.00 O ATOM 160 CB PRO A 10 -5.284 -21.788 -10.286 1.00 0.00 C ATOM 161 CG PRO A 10 -5.320 -22.238 -11.743 1.00 0.00 C ATOM 162 CD PRO A 10 -3.870 -22.036 -12.176 1.00 0.00 C ATOM 0 HA PRO A 10 -3.524 -21.619 -9.009 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.097 -22.230 -9.710 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.383 -20.706 -10.199 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.634 -23.277 -11.841 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.010 -21.639 -12.338 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.597 -22.731 -12.970 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.713 -21.030 -12.565 1.00 0.00 H new ATOM 170 N GLU A 11 -3.690 -24.727 -9.834 1.00 0.00 N ATOM 171 CA GLU A 11 -3.606 -26.074 -9.274 1.00 0.00 C ATOM 172 C GLU A 11 -2.464 -26.173 -8.252 1.00 0.00 C ATOM 173 O GLU A 11 -2.589 -26.886 -7.257 1.00 0.00 O ATOM 174 CB GLU A 11 -3.431 -27.075 -10.429 1.00 0.00 C ATOM 175 CG GLU A 11 -3.489 -28.538 -9.967 1.00 0.00 C ATOM 176 CD GLU A 11 -3.436 -29.508 -11.161 1.00 0.00 C ATOM 177 OE1 GLU A 11 -2.325 -29.884 -11.600 1.00 0.00 O ATOM 178 OE2 GLU A 11 -4.506 -29.923 -11.664 1.00 0.00 O ATOM 0 H GLU A 11 -3.511 -24.692 -10.838 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.524 -26.311 -8.736 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.209 -26.903 -11.173 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.475 -26.892 -10.920 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.656 -28.742 -9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.405 -28.706 -9.401 1.00 0.00 H new ATOM 185 N GLN A 12 -1.358 -25.451 -8.464 1.00 0.00 N ATOM 186 CA GLN A 12 -0.240 -25.434 -7.524 1.00 0.00 C ATOM 187 C GLN A 12 -0.486 -24.423 -6.403 1.00 0.00 C ATOM 188 O GLN A 12 -0.083 -24.678 -5.269 1.00 0.00 O ATOM 189 CB GLN A 12 1.066 -25.111 -8.254 1.00 0.00 C ATOM 190 CG GLN A 12 1.578 -26.258 -9.138 1.00 0.00 C ATOM 191 CD GLN A 12 2.900 -25.903 -9.826 1.00 0.00 C ATOM 192 OE1 GLN A 12 3.671 -25.068 -9.354 1.00 0.00 O ATOM 193 NE2 GLN A 12 3.201 -26.522 -10.955 1.00 0.00 N ATOM 0 H GLN A 12 -1.216 -24.867 -9.288 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.156 -26.425 -7.078 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.917 -24.226 -8.872 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.831 -24.861 -7.519 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.714 -27.152 -8.530 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.829 -26.497 -9.893 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.560 -27.214 -11.344 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.074 -26.308 -11.437 1.00 0.00 H new ATOM 202 N TYR A 13 -1.178 -23.311 -6.676 1.00 0.00 N ATOM 203 CA TYR A 13 -1.560 -22.352 -5.638 1.00 0.00 C ATOM 204 C TYR A 13 -2.375 -23.044 -4.541 1.00 0.00 C ATOM 205 O TYR A 13 -2.115 -22.855 -3.355 1.00 0.00 O ATOM 206 CB TYR A 13 -2.339 -21.191 -6.268 1.00 0.00 C ATOM 207 CG TYR A 13 -2.769 -20.116 -5.286 1.00 0.00 C ATOM 208 CD1 TYR A 13 -1.853 -19.125 -4.889 1.00 0.00 C ATOM 209 CD2 TYR A 13 -4.090 -20.081 -4.798 1.00 0.00 C ATOM 210 CE1 TYR A 13 -2.251 -18.085 -4.031 1.00 0.00 C ATOM 211 CE2 TYR A 13 -4.494 -19.052 -3.928 1.00 0.00 C ATOM 212 CZ TYR A 13 -3.579 -18.045 -3.543 1.00 0.00 C ATOM 213 OH TYR A 13 -3.989 -17.041 -2.717 1.00 0.00 O ATOM 0 H TYR A 13 -1.486 -23.054 -7.614 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.661 -21.948 -5.172 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.722 -20.733 -7.041 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.225 -21.590 -6.762 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.835 -19.163 -5.247 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.794 -20.845 -5.092 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.546 -17.319 -3.745 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.507 -19.031 -3.553 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.931 -17.175 -2.482 1.00 0.00 H new ATOM 223 N GLN A 14 -3.320 -23.907 -4.923 1.00 0.00 N ATOM 224 CA GLN A 14 -4.116 -24.674 -3.968 1.00 0.00 C ATOM 225 C GLN A 14 -3.253 -25.629 -3.132 1.00 0.00 C ATOM 226 O GLN A 14 -3.607 -25.906 -1.986 1.00 0.00 O ATOM 227 CB GLN A 14 -5.216 -25.433 -4.727 1.00 0.00 C ATOM 228 CG GLN A 14 -6.300 -24.478 -5.252 1.00 0.00 C ATOM 229 CD GLN A 14 -7.178 -25.154 -6.303 1.00 0.00 C ATOM 230 OE1 GLN A 14 -8.192 -25.777 -5.996 1.00 0.00 O ATOM 231 NE2 GLN A 14 -6.800 -25.047 -7.566 1.00 0.00 N ATOM 0 H GLN A 14 -3.552 -24.091 -5.899 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.575 -23.982 -3.262 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.774 -25.978 -5.562 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.670 -26.173 -4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.920 -24.138 -4.422 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.830 -23.594 -5.683 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.956 -24.526 -7.803 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.353 -25.485 -8.303 1.00 0.00 H new ATOM 240 N GLN A 15 -2.128 -26.117 -3.667 1.00 0.00 N ATOM 241 CA GLN A 15 -1.246 -27.027 -2.945 1.00 0.00 C ATOM 242 C GLN A 15 -0.396 -26.277 -1.919 1.00 0.00 C ATOM 243 O GLN A 15 -0.208 -26.788 -0.815 1.00 0.00 O ATOM 244 CB GLN A 15 -0.377 -27.829 -3.926 1.00 0.00 C ATOM 245 CG GLN A 15 -1.222 -28.845 -4.712 1.00 0.00 C ATOM 246 CD GLN A 15 -0.438 -29.466 -5.867 1.00 0.00 C ATOM 247 OE1 GLN A 15 0.466 -30.276 -5.671 1.00 0.00 O ATOM 248 NE2 GLN A 15 -0.765 -29.098 -7.095 1.00 0.00 N ATOM 0 H GLN A 15 -1.809 -25.891 -4.609 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.864 -27.735 -2.392 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.117 -27.148 -4.620 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.408 -28.351 -3.378 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.562 -29.632 -4.039 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.113 -28.352 -5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.517 -28.425 -7.242 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.265 -29.487 -7.894 1.00 0.00 H new ATOM 257 N GLU A 16 0.075 -25.068 -2.234 1.00 0.00 N ATOM 258 CA GLU A 16 0.802 -24.216 -1.294 1.00 0.00 C ATOM 259 C GLU A 16 0.691 -22.760 -1.741 1.00 0.00 C ATOM 260 O GLU A 16 0.890 -22.465 -2.924 1.00 0.00 O ATOM 261 CB GLU A 16 2.282 -24.647 -1.222 1.00 0.00 C ATOM 262 CG GLU A 16 2.978 -24.122 0.042 1.00 0.00 C ATOM 263 CD GLU A 16 4.376 -24.735 0.201 1.00 0.00 C ATOM 264 OE1 GLU A 16 4.474 -25.861 0.737 1.00 0.00 O ATOM 265 OE2 GLU A 16 5.379 -24.081 -0.162 1.00 0.00 O ATOM 0 H GLU A 16 -0.039 -24.650 -3.158 1.00 0.00 H new ATOM 0 HA GLU A 16 0.367 -24.318 -0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.343 -25.735 -1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.809 -24.281 -2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.058 -23.036 -0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.373 -24.357 0.918 1.00 0.00 H new ATOM 272 N HIS A 17 0.441 -21.840 -0.810 1.00 0.00 N ATOM 273 CA HIS A 17 0.517 -20.403 -1.046 1.00 0.00 C ATOM 274 C HIS A 17 0.922 -19.685 0.240 1.00 0.00 C ATOM 275 O HIS A 17 0.895 -20.266 1.328 1.00 0.00 O ATOM 276 CB HIS A 17 -0.785 -19.858 -1.658 1.00 0.00 C ATOM 277 CG HIS A 17 -2.088 -20.188 -0.969 1.00 0.00 C ATOM 278 ND1 HIS A 17 -2.790 -21.362 -1.104 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.906 -19.313 -0.304 1.00 0.00 C ATOM 280 CE1 HIS A 17 -3.989 -21.209 -0.521 1.00 0.00 C ATOM 281 NE2 HIS A 17 -4.110 -19.971 -0.009 1.00 0.00 N ATOM 0 H HIS A 17 0.176 -22.079 0.145 1.00 0.00 H new ATOM 0 HA HIS A 17 1.292 -20.206 -1.787 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.700 -18.772 -1.709 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.849 -20.221 -2.684 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.456 -22.206 -1.569 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.665 -18.291 -0.050 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.750 -21.973 -0.470 1.00 0.00 H new ATOM 289 N VAL A 18 1.336 -18.423 0.112 1.00 0.00 N ATOM 290 CA VAL A 18 1.545 -17.541 1.254 1.00 0.00 C ATOM 291 C VAL A 18 0.201 -17.412 1.991 1.00 0.00 C ATOM 292 O VAL A 18 -0.860 -17.502 1.371 1.00 0.00 O ATOM 293 CB VAL A 18 2.122 -16.194 0.757 1.00 0.00 C ATOM 294 CG1 VAL A 18 2.286 -15.148 1.870 1.00 0.00 C ATOM 295 CG2 VAL A 18 3.501 -16.414 0.108 1.00 0.00 C ATOM 0 H VAL A 18 1.535 -17.987 -0.788 1.00 0.00 H new ATOM 0 HA VAL A 18 2.274 -17.936 1.962 1.00 0.00 H new ATOM 0 HB VAL A 18 1.397 -15.811 0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.695 -14.230 1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.315 -14.940 2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.964 -15.531 2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.897 -15.459 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.183 -16.846 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.400 -17.093 -0.739 1.00 0.00 H new ATOM 305 N GLN A 19 0.232 -17.204 3.309 1.00 0.00 N ATOM 306 CA GLN A 19 -0.942 -17.070 4.174 1.00 0.00 C ATOM 307 C GLN A 19 -1.590 -15.679 4.001 1.00 0.00 C ATOM 308 O GLN A 19 -1.719 -14.903 4.951 1.00 0.00 O ATOM 309 CB GLN A 19 -0.525 -17.408 5.619 1.00 0.00 C ATOM 310 CG GLN A 19 -1.700 -17.871 6.490 1.00 0.00 C ATOM 311 CD GLN A 19 -1.246 -18.191 7.916 1.00 0.00 C ATOM 312 OE1 GLN A 19 -1.535 -17.454 8.856 1.00 0.00 O ATOM 313 NE2 GLN A 19 -0.521 -19.281 8.120 1.00 0.00 N ATOM 0 H GLN A 19 1.109 -17.121 3.823 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.723 -17.776 3.893 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.235 -18.189 5.599 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.067 -16.530 6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.464 -17.094 6.516 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.158 -18.754 6.046 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.284 -19.890 7.337 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.200 -19.512 9.060 1.00 0.00 H new ATOM 322 N GLY A 20 -1.931 -15.333 2.762 1.00 0.00 N ATOM 323 CA GLY A 20 -2.384 -14.028 2.311 1.00 0.00 C ATOM 324 C GLY A 20 -2.406 -14.046 0.782 1.00 0.00 C ATOM 325 O GLY A 20 -2.631 -15.104 0.186 1.00 0.00 O ATOM 0 H GLY A 20 -1.894 -16.007 1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.377 -13.811 2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.718 -13.245 2.675 1.00 0.00 H new ATOM 329 N ALA A 21 -2.104 -12.897 0.166 1.00 0.00 N ATOM 330 CA ALA A 21 -1.971 -12.710 -1.280 1.00 0.00 C ATOM 331 C ALA A 21 -3.251 -13.042 -2.069 1.00 0.00 C ATOM 332 O ALA A 21 -4.307 -13.332 -1.501 1.00 0.00 O ATOM 333 CB ALA A 21 -0.744 -13.494 -1.778 1.00 0.00 C ATOM 0 H ALA A 21 -1.939 -12.035 0.686 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.816 -11.648 -1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.639 -13.359 -2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.151 -13.126 -1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.874 -14.553 -1.556 1.00 0.00 H new ATOM 339 N ILE A 22 -3.142 -12.977 -3.397 1.00 0.00 N ATOM 340 CA ILE A 22 -4.181 -13.276 -4.380 1.00 0.00 C ATOM 341 C ILE A 22 -3.530 -14.220 -5.397 1.00 0.00 C ATOM 342 O ILE A 22 -2.317 -14.136 -5.602 1.00 0.00 O ATOM 343 CB ILE A 22 -4.652 -11.981 -5.105 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.710 -10.690 -4.246 1.00 0.00 C ATOM 345 CG2 ILE A 22 -6.002 -12.199 -5.816 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.833 -10.637 -3.202 1.00 0.00 C ATOM 0 H ILE A 22 -2.268 -12.696 -3.842 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.055 -13.717 -3.901 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.859 -11.798 -5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.756 -10.574 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.819 -9.835 -4.914 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.305 -11.277 -6.313 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.900 -12.993 -6.555 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.758 -12.481 -5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.781 -9.693 -2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.798 -10.715 -3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.719 -11.465 -2.502 1.00 0.00 H new ATOM 358 N ASN A 23 -4.310 -15.063 -6.079 1.00 0.00 N ATOM 359 CA ASN A 23 -3.838 -15.813 -7.242 1.00 0.00 C ATOM 360 C ASN A 23 -4.467 -15.183 -8.470 1.00 0.00 C ATOM 361 O ASN A 23 -5.694 -15.092 -8.582 1.00 0.00 O ATOM 362 CB ASN A 23 -4.180 -17.304 -7.174 1.00 0.00 C ATOM 363 CG ASN A 23 -3.964 -17.994 -8.525 1.00 0.00 C ATOM 364 OD1 ASN A 23 -4.926 -18.275 -9.230 1.00 0.00 O ATOM 365 ND2 ASN A 23 -2.733 -18.265 -8.937 1.00 0.00 N ATOM 0 H ASN A 23 -5.285 -15.243 -5.839 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.750 -15.762 -7.276 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.562 -17.785 -6.416 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.218 -17.426 -6.864 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.585 -18.709 -9.843 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.935 -18.030 -8.348 1.00 0.00 H new ATOM 372 N ILE A 24 -3.610 -14.748 -9.382 1.00 0.00 N ATOM 373 CA ILE A 24 -3.986 -14.210 -10.672 1.00 0.00 C ATOM 374 C ILE A 24 -2.926 -14.779 -11.622 1.00 0.00 C ATOM 375 O ILE A 24 -1.844 -14.199 -11.703 1.00 0.00 O ATOM 376 CB ILE A 24 -4.031 -12.659 -10.667 1.00 0.00 C ATOM 377 CG1 ILE A 24 -4.669 -12.024 -9.413 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.740 -12.215 -11.944 1.00 0.00 C ATOM 379 CD1 ILE A 24 -4.786 -10.495 -9.441 1.00 0.00 C ATOM 0 H ILE A 24 -2.601 -14.762 -9.235 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.995 -14.491 -10.973 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.003 -12.299 -10.634 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.665 -12.446 -9.279 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.081 -12.311 -8.541 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.789 -11.127 -11.973 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.188 -12.577 -12.811 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.750 -12.625 -11.961 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.246 -10.148 -8.516 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.793 -10.056 -9.539 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.402 -10.193 -10.288 1.00 0.00 H new ATOM 391 N PRO A 25 -3.165 -15.935 -12.274 1.00 0.00 N ATOM 392 CA PRO A 25 -2.143 -16.614 -13.065 1.00 0.00 C ATOM 393 C PRO A 25 -1.633 -15.663 -14.156 1.00 0.00 C ATOM 394 O PRO A 25 -2.369 -14.776 -14.585 1.00 0.00 O ATOM 395 CB PRO A 25 -2.811 -17.893 -13.592 1.00 0.00 C ATOM 396 CG PRO A 25 -4.300 -17.562 -13.592 1.00 0.00 C ATOM 397 CD PRO A 25 -4.442 -16.623 -12.395 1.00 0.00 C ATOM 0 HA PRO A 25 -1.255 -16.893 -12.498 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.458 -18.144 -14.592 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.593 -18.749 -12.953 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.607 -17.081 -14.521 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.913 -18.456 -13.479 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.255 -15.913 -12.549 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.673 -17.180 -11.487 1.00 0.00 H new ATOM 405 N LEU A 26 -0.387 -15.822 -14.612 1.00 0.00 N ATOM 406 CA LEU A 26 0.289 -14.831 -15.464 1.00 0.00 C ATOM 407 C LEU A 26 -0.532 -14.402 -16.696 1.00 0.00 C ATOM 408 O LEU A 26 -0.568 -13.220 -17.035 1.00 0.00 O ATOM 409 CB LEU A 26 1.683 -15.375 -15.840 1.00 0.00 C ATOM 410 CG LEU A 26 2.596 -14.407 -16.624 1.00 0.00 C ATOM 411 CD1 LEU A 26 2.713 -13.031 -15.961 1.00 0.00 C ATOM 412 CD2 LEU A 26 4.003 -15.012 -16.723 1.00 0.00 C ATOM 0 H LEU A 26 0.184 -16.641 -14.402 1.00 0.00 H new ATOM 0 HA LEU A 26 0.398 -13.909 -14.892 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.197 -15.667 -14.924 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.551 -16.280 -16.433 1.00 0.00 H new ATOM 0 HG LEU A 26 2.145 -14.269 -17.607 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.367 -12.394 -16.557 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.725 -12.575 -15.893 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.130 -13.144 -14.960 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.653 -14.333 -17.276 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.405 -15.164 -15.721 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.952 -15.969 -17.243 1.00 0.00 H new ATOM 424 N LYS A 27 -1.247 -15.332 -17.336 1.00 0.00 N ATOM 425 CA LYS A 27 -2.133 -15.032 -18.462 1.00 0.00 C ATOM 426 C LYS A 27 -3.304 -14.122 -18.072 1.00 0.00 C ATOM 427 O LYS A 27 -3.729 -13.304 -18.886 1.00 0.00 O ATOM 428 CB LYS A 27 -2.618 -16.335 -19.126 1.00 0.00 C ATOM 429 CG LYS A 27 -3.496 -17.228 -18.224 1.00 0.00 C ATOM 430 CD LYS A 27 -3.839 -18.580 -18.868 1.00 0.00 C ATOM 431 CE LYS A 27 -4.707 -18.424 -20.127 1.00 0.00 C ATOM 432 NZ LYS A 27 -5.082 -19.734 -20.716 1.00 0.00 N ATOM 0 H LYS A 27 -1.226 -16.320 -17.085 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.551 -14.469 -19.191 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.182 -16.082 -20.024 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.749 -16.909 -19.447 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.978 -17.402 -17.281 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.420 -16.700 -17.988 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.917 -19.100 -19.127 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.363 -19.203 -18.143 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.611 -17.868 -19.877 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.166 -17.836 -20.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.667 -19.580 -21.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.222 -20.255 -20.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.621 -20.286 -20.019 1.00 0.00 H new ATOM 446 N GLU A 28 -3.829 -14.250 -16.850 1.00 0.00 N ATOM 447 CA GLU A 28 -4.886 -13.394 -16.327 1.00 0.00 C ATOM 448 C GLU A 28 -4.318 -12.064 -15.867 1.00 0.00 C ATOM 449 O GLU A 28 -4.940 -11.038 -16.118 1.00 0.00 O ATOM 450 CB GLU A 28 -5.600 -14.048 -15.127 1.00 0.00 C ATOM 451 CG GLU A 28 -6.950 -14.659 -15.509 1.00 0.00 C ATOM 452 CD GLU A 28 -7.611 -15.392 -14.326 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.636 -14.842 -13.201 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.137 -16.512 -14.528 1.00 0.00 O ATOM 0 H GLU A 28 -3.523 -14.964 -16.189 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.600 -13.242 -17.137 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.960 -14.824 -14.706 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.751 -13.301 -14.347 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.616 -13.872 -15.865 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.811 -15.357 -16.335 1.00 0.00 H new ATOM 461 N VAL A 29 -3.170 -12.057 -15.183 1.00 0.00 N ATOM 462 CA VAL A 29 -2.673 -10.868 -14.482 1.00 0.00 C ATOM 463 C VAL A 29 -2.541 -9.687 -15.433 1.00 0.00 C ATOM 464 O VAL A 29 -2.902 -8.570 -15.080 1.00 0.00 O ATOM 465 CB VAL A 29 -1.389 -11.202 -13.688 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.067 -10.950 -14.426 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.339 -10.440 -12.356 1.00 0.00 C ATOM 0 H VAL A 29 -2.561 -12.871 -15.099 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.404 -10.551 -13.738 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.467 -12.278 -13.532 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.768 -11.217 -13.778 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.034 -11.557 -15.330 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.005 -9.896 -14.694 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.424 -10.698 -11.823 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.356 -9.367 -12.550 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.202 -10.713 -11.748 1.00 0.00 H new ATOM 477 N LYS A 30 -2.140 -9.960 -16.672 1.00 0.00 N ATOM 478 CA LYS A 30 -1.972 -8.972 -17.731 1.00 0.00 C ATOM 479 C LYS A 30 -3.271 -8.276 -18.167 1.00 0.00 C ATOM 480 O LYS A 30 -3.228 -7.396 -19.024 1.00 0.00 O ATOM 481 CB LYS A 30 -1.205 -9.643 -18.892 1.00 0.00 C ATOM 482 CG LYS A 30 0.023 -8.825 -19.328 1.00 0.00 C ATOM 483 CD LYS A 30 -0.245 -7.599 -20.215 1.00 0.00 C ATOM 484 CE LYS A 30 -0.921 -7.976 -21.540 1.00 0.00 C ATOM 485 NZ LYS A 30 -1.163 -6.793 -22.404 1.00 0.00 N ATOM 0 H LYS A 30 -1.916 -10.908 -16.975 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.386 -8.140 -17.341 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.886 -10.639 -18.586 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.875 -9.770 -19.742 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.544 -8.489 -18.431 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.703 -9.489 -19.862 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.877 -6.894 -19.675 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.696 -7.090 -20.422 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.296 -8.692 -22.074 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.869 -8.473 -21.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.621 -7.096 -23.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.781 -6.121 -21.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.257 -6.333 -22.624 1.00 0.00 H new ATOM 499 N GLU A 31 -4.415 -8.627 -17.584 1.00 0.00 N ATOM 500 CA GLU A 31 -5.666 -7.889 -17.715 1.00 0.00 C ATOM 501 C GLU A 31 -6.264 -7.675 -16.323 1.00 0.00 C ATOM 502 O GLU A 31 -6.611 -6.555 -15.953 1.00 0.00 O ATOM 503 CB GLU A 31 -6.644 -8.646 -18.630 1.00 0.00 C ATOM 504 CG GLU A 31 -6.180 -8.694 -20.093 1.00 0.00 C ATOM 505 CD GLU A 31 -7.241 -9.346 -20.999 1.00 0.00 C ATOM 506 OE1 GLU A 31 -8.111 -8.627 -21.542 1.00 0.00 O ATOM 507 OE2 GLU A 31 -7.209 -10.582 -21.196 1.00 0.00 O ATOM 0 H GLU A 31 -4.498 -9.454 -16.993 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.475 -6.918 -18.173 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.766 -9.664 -18.260 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.623 -8.169 -18.580 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.972 -7.683 -20.443 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.247 -9.254 -20.162 1.00 0.00 H new ATOM 514 N ARG A 32 -6.340 -8.736 -15.518 1.00 0.00 N ATOM 515 CA ARG A 32 -7.015 -8.748 -14.225 1.00 0.00 C ATOM 516 C ARG A 32 -6.318 -7.868 -13.187 1.00 0.00 C ATOM 517 O ARG A 32 -7.001 -7.388 -12.281 1.00 0.00 O ATOM 518 CB ARG A 32 -7.213 -10.207 -13.770 1.00 0.00 C ATOM 519 CG ARG A 32 -7.959 -10.330 -12.431 1.00 0.00 C ATOM 520 CD ARG A 32 -8.500 -11.750 -12.196 1.00 0.00 C ATOM 521 NE ARG A 32 -8.752 -11.996 -10.762 1.00 0.00 N ATOM 522 CZ ARG A 32 -8.271 -13.005 -10.017 1.00 0.00 C ATOM 523 NH1 ARG A 32 -7.641 -14.045 -10.555 1.00 0.00 N ATOM 524 NH2 ARG A 32 -8.408 -12.964 -8.695 1.00 0.00 N ATOM 0 H ARG A 32 -5.921 -9.635 -15.757 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.000 -8.295 -14.334 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.767 -10.748 -14.538 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.239 -10.688 -13.681 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.287 -10.060 -11.616 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.786 -9.620 -12.411 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.423 -11.888 -12.759 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.785 -12.481 -12.573 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.357 -11.327 -10.285 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.510 -14.095 -11.565 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.289 -14.793 -9.957 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.875 -12.171 -8.255 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.046 -13.725 -8.121 1.00 0.00 H new ATOM 538 N ILE A 33 -5.015 -7.581 -13.310 1.00 0.00 N ATOM 539 CA ILE A 33 -4.362 -6.632 -12.398 1.00 0.00 C ATOM 540 C ILE A 33 -5.078 -5.281 -12.455 1.00 0.00 C ATOM 541 O ILE A 33 -5.243 -4.649 -11.418 1.00 0.00 O ATOM 542 CB ILE A 33 -2.841 -6.496 -12.653 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.103 -5.831 -11.462 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.537 -5.720 -13.945 1.00 0.00 C ATOM 545 CD1 ILE A 33 -1.875 -6.802 -10.297 1.00 0.00 C ATOM 0 H ILE A 33 -4.402 -7.984 -14.018 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.448 -7.031 -11.387 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.469 -7.515 -12.764 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.142 -5.446 -11.803 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.682 -4.977 -11.111 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.458 -5.650 -14.082 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.978 -6.241 -14.795 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.960 -4.718 -13.875 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.355 -6.286 -9.490 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.836 -7.167 -9.934 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.272 -7.644 -10.638 1.00 0.00 H new ATOM 557 N ALA A 34 -5.590 -4.874 -13.623 1.00 0.00 N ATOM 558 CA ALA A 34 -6.304 -3.608 -13.756 1.00 0.00 C ATOM 559 C ALA A 34 -7.584 -3.533 -12.907 1.00 0.00 C ATOM 560 O ALA A 34 -8.079 -2.432 -12.664 1.00 0.00 O ATOM 561 CB ALA A 34 -6.628 -3.352 -15.230 1.00 0.00 C ATOM 0 H ALA A 34 -5.520 -5.408 -14.489 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.642 -2.831 -13.374 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.161 -2.406 -15.326 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.702 -3.307 -15.804 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.252 -4.161 -15.611 1.00 0.00 H new ATOM 567 N THR A 35 -8.115 -4.671 -12.450 1.00 0.00 N ATOM 568 CA THR A 35 -9.291 -4.735 -11.586 1.00 0.00 C ATOM 569 C THR A 35 -8.869 -5.028 -10.137 1.00 0.00 C ATOM 570 O THR A 35 -9.491 -4.522 -9.201 1.00 0.00 O ATOM 571 CB THR A 35 -10.257 -5.799 -12.149 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.507 -5.560 -13.526 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.614 -5.814 -11.438 1.00 0.00 C ATOM 0 H THR A 35 -7.731 -5.588 -12.676 1.00 0.00 H new ATOM 0 HA THR A 35 -9.811 -3.777 -11.570 1.00 0.00 H new ATOM 0 HB THR A 35 -9.764 -6.758 -11.990 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.120 -6.243 -13.871 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.248 -6.583 -11.880 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.468 -6.028 -10.379 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.093 -4.841 -11.549 1.00 0.00 H new ATOM 581 N ALA A 36 -7.799 -5.805 -9.939 1.00 0.00 N ATOM 582 CA ALA A 36 -7.315 -6.180 -8.611 1.00 0.00 C ATOM 583 C ALA A 36 -6.532 -5.041 -7.946 1.00 0.00 C ATOM 584 O ALA A 36 -6.577 -4.886 -6.726 1.00 0.00 O ATOM 585 CB ALA A 36 -6.435 -7.429 -8.728 1.00 0.00 C ATOM 0 H ALA A 36 -7.243 -6.192 -10.701 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.178 -6.391 -7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.072 -7.712 -7.740 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.019 -8.248 -9.148 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.587 -7.217 -9.379 1.00 0.00 H new ATOM 591 N VAL A 37 -5.822 -4.251 -8.751 1.00 0.00 N ATOM 592 CA VAL A 37 -4.920 -3.180 -8.350 1.00 0.00 C ATOM 593 C VAL A 37 -5.100 -2.039 -9.371 1.00 0.00 C ATOM 594 O VAL A 37 -4.246 -1.833 -10.236 1.00 0.00 O ATOM 595 CB VAL A 37 -3.458 -3.687 -8.267 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.580 -2.626 -7.593 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.297 -5.022 -7.521 1.00 0.00 C ATOM 0 H VAL A 37 -5.867 -4.351 -9.765 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.155 -2.815 -7.350 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.144 -3.865 -9.295 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.553 -2.986 -7.536 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.610 -1.705 -8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.952 -2.431 -6.587 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.245 -5.307 -7.507 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.657 -4.913 -6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.875 -5.794 -8.028 1.00 0.00 H new ATOM 607 N PRO A 38 -6.232 -1.315 -9.344 1.00 0.00 N ATOM 608 CA PRO A 38 -6.466 -0.217 -10.273 1.00 0.00 C ATOM 609 C PRO A 38 -5.502 0.955 -10.026 1.00 0.00 C ATOM 610 O PRO A 38 -5.180 1.688 -10.963 1.00 0.00 O ATOM 611 CB PRO A 38 -7.932 0.183 -10.069 1.00 0.00 C ATOM 612 CG PRO A 38 -8.238 -0.255 -8.637 1.00 0.00 C ATOM 613 CD PRO A 38 -7.367 -1.497 -8.455 1.00 0.00 C ATOM 0 HA PRO A 38 -6.279 -0.516 -11.305 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.075 1.256 -10.198 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.585 -0.314 -10.787 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.985 0.522 -7.916 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.296 -0.482 -8.503 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.041 -1.598 -7.420 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.919 -2.403 -8.706 1.00 0.00 H new ATOM 621 N ASP A 39 -5.028 1.140 -8.787 1.00 0.00 N ATOM 622 CA ASP A 39 -4.038 2.158 -8.447 1.00 0.00 C ATOM 623 C ASP A 39 -2.634 1.615 -8.720 1.00 0.00 C ATOM 624 O ASP A 39 -2.092 0.829 -7.940 1.00 0.00 O ATOM 625 CB ASP A 39 -4.176 2.610 -6.987 1.00 0.00 C ATOM 626 CG ASP A 39 -3.127 3.673 -6.601 1.00 0.00 C ATOM 627 OD1 ASP A 39 -2.380 4.164 -7.478 1.00 0.00 O ATOM 628 OD2 ASP A 39 -3.079 4.051 -5.409 1.00 0.00 O ATOM 0 H ASP A 39 -5.327 0.580 -7.989 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.211 3.034 -9.072 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.175 3.014 -6.827 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.073 1.746 -6.330 1.00 0.00 H new ATOM 633 N LYS A 40 -2.041 2.047 -9.836 1.00 0.00 N ATOM 634 CA LYS A 40 -0.711 1.630 -10.285 1.00 0.00 C ATOM 635 C LYS A 40 0.411 1.930 -9.280 1.00 0.00 C ATOM 636 O LYS A 40 1.511 1.400 -9.455 1.00 0.00 O ATOM 637 CB LYS A 40 -0.417 2.274 -11.652 1.00 0.00 C ATOM 638 CG LYS A 40 -1.279 1.660 -12.768 1.00 0.00 C ATOM 639 CD LYS A 40 -0.975 2.304 -14.130 1.00 0.00 C ATOM 640 CE LYS A 40 -1.916 1.806 -15.237 1.00 0.00 C ATOM 641 NZ LYS A 40 -1.708 0.376 -15.579 1.00 0.00 N ATOM 0 H LYS A 40 -2.484 2.714 -10.468 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.727 0.544 -10.373 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.604 3.346 -11.597 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.638 2.146 -11.895 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.096 0.587 -12.822 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.334 1.792 -12.529 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.061 3.387 -14.044 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.056 2.087 -14.409 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.949 1.951 -14.920 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.769 2.412 -16.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.415 0.081 -16.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.754 0.249 -15.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.809 -0.204 -14.722 1.00 0.00 H new ATOM 655 N ASN A 41 0.172 2.765 -8.261 1.00 0.00 N ATOM 656 CA ASN A 41 1.174 3.109 -7.255 1.00 0.00 C ATOM 657 C ASN A 41 1.439 1.975 -6.260 1.00 0.00 C ATOM 658 O ASN A 41 2.501 1.957 -5.639 1.00 0.00 O ATOM 659 CB ASN A 41 0.731 4.363 -6.489 1.00 0.00 C ATOM 660 CG ASN A 41 1.813 4.852 -5.529 1.00 0.00 C ATOM 661 OD1 ASN A 41 2.875 5.297 -5.953 1.00 0.00 O ATOM 662 ND2 ASN A 41 1.563 4.813 -4.229 1.00 0.00 N ATOM 0 H ASN A 41 -0.728 3.221 -8.114 1.00 0.00 H new ATOM 0 HA ASN A 41 2.106 3.294 -7.790 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.488 5.155 -7.197 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.179 4.145 -5.930 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.258 5.156 -3.566 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.676 4.440 -3.891 1.00 0.00 H new ATOM 669 N ASP A 42 0.490 1.055 -6.051 1.00 0.00 N ATOM 670 CA ASP A 42 0.647 -0.013 -5.057 1.00 0.00 C ATOM 671 C ASP A 42 1.751 -0.977 -5.499 1.00 0.00 C ATOM 672 O ASP A 42 1.757 -1.415 -6.650 1.00 0.00 O ATOM 673 CB ASP A 42 -0.670 -0.773 -4.833 1.00 0.00 C ATOM 674 CG ASP A 42 -1.443 -0.214 -3.630 1.00 0.00 C ATOM 675 OD1 ASP A 42 -0.972 -0.404 -2.487 1.00 0.00 O ATOM 676 OD2 ASP A 42 -2.493 0.442 -3.819 1.00 0.00 O ATOM 0 H ASP A 42 -0.395 1.029 -6.557 1.00 0.00 H new ATOM 0 HA ASP A 42 0.928 0.445 -4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.288 -0.704 -5.728 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.459 -1.830 -4.672 1.00 0.00 H new ATOM 681 N THR A 43 2.668 -1.321 -4.588 1.00 0.00 N ATOM 682 CA THR A 43 3.773 -2.241 -4.838 1.00 0.00 C ATOM 683 C THR A 43 3.220 -3.645 -5.073 1.00 0.00 C ATOM 684 O THR A 43 2.850 -4.321 -4.113 1.00 0.00 O ATOM 685 CB THR A 43 4.768 -2.220 -3.658 1.00 0.00 C ATOM 686 OG1 THR A 43 5.157 -0.900 -3.341 1.00 0.00 O ATOM 687 CG2 THR A 43 6.015 -3.066 -3.928 1.00 0.00 C ATOM 0 H THR A 43 2.658 -0.957 -3.635 1.00 0.00 H new ATOM 0 HA THR A 43 4.315 -1.927 -5.730 1.00 0.00 H new ATOM 0 HB THR A 43 4.241 -2.656 -2.810 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.502 -0.504 -2.728 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.682 -3.017 -3.067 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.722 -4.101 -4.101 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.531 -2.683 -4.809 1.00 0.00 H new ATOM 695 N VAL A 44 3.158 -4.102 -6.322 1.00 0.00 N ATOM 696 CA VAL A 44 2.768 -5.477 -6.600 1.00 0.00 C ATOM 697 C VAL A 44 3.992 -6.363 -6.366 1.00 0.00 C ATOM 698 O VAL A 44 5.014 -6.187 -7.030 1.00 0.00 O ATOM 699 CB VAL A 44 2.209 -5.629 -8.031 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.507 -6.989 -8.125 1.00 0.00 C ATOM 701 CG2 VAL A 44 1.188 -4.537 -8.395 1.00 0.00 C ATOM 0 H VAL A 44 3.371 -3.544 -7.149 1.00 0.00 H new ATOM 0 HA VAL A 44 1.961 -5.782 -5.934 1.00 0.00 H new ATOM 0 HB VAL A 44 3.046 -5.542 -8.724 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.102 -7.121 -9.128 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.223 -7.783 -7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.696 -7.031 -7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.831 -4.697 -9.412 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.346 -4.581 -7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.662 -3.558 -8.327 1.00 0.00 H new ATOM 711 N LYS A 45 3.897 -7.316 -5.437 1.00 0.00 N ATOM 712 CA LYS A 45 4.952 -8.283 -5.156 1.00 0.00 C ATOM 713 C LYS A 45 4.560 -9.593 -5.813 1.00 0.00 C ATOM 714 O LYS A 45 3.659 -10.284 -5.333 1.00 0.00 O ATOM 715 CB LYS A 45 5.198 -8.408 -3.644 1.00 0.00 C ATOM 716 CG LYS A 45 5.641 -7.045 -3.096 1.00 0.00 C ATOM 717 CD LYS A 45 6.277 -7.126 -1.702 1.00 0.00 C ATOM 718 CE LYS A 45 7.084 -5.843 -1.442 1.00 0.00 C ATOM 719 NZ LYS A 45 7.606 -5.764 -0.057 1.00 0.00 N ATOM 0 H LYS A 45 3.071 -7.437 -4.851 1.00 0.00 H new ATOM 0 HA LYS A 45 5.905 -7.956 -5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.290 -8.739 -3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.963 -9.159 -3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.355 -6.598 -3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.778 -6.380 -3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.504 -7.245 -0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.926 -7.999 -1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.917 -5.795 -2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.453 -4.976 -1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.238 -4.943 0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.813 -5.662 0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.134 -6.632 0.165 1.00 0.00 H new ATOM 733 N VAL A 46 5.169 -9.900 -6.954 1.00 0.00 N ATOM 734 CA VAL A 46 4.810 -11.082 -7.725 1.00 0.00 C ATOM 735 C VAL A 46 5.602 -12.291 -7.217 1.00 0.00 C ATOM 736 O VAL A 46 6.788 -12.162 -6.892 1.00 0.00 O ATOM 737 CB VAL A 46 4.973 -10.825 -9.236 1.00 0.00 C ATOM 738 CG1 VAL A 46 3.853 -9.905 -9.744 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.321 -10.195 -9.618 1.00 0.00 C ATOM 0 H VAL A 46 5.917 -9.342 -7.366 1.00 0.00 H new ATOM 0 HA VAL A 46 3.754 -11.312 -7.580 1.00 0.00 H new ATOM 0 HB VAL A 46 4.923 -11.808 -9.704 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.981 -9.732 -10.813 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.886 -10.376 -9.566 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.896 -8.953 -9.215 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.360 -10.045 -10.697 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.430 -9.235 -9.114 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.131 -10.858 -9.314 1.00 0.00 H new ATOM 749 N TYR A 47 4.962 -13.465 -7.175 1.00 0.00 N ATOM 750 CA TYR A 47 5.606 -14.745 -6.879 1.00 0.00 C ATOM 751 C TYR A 47 4.939 -15.868 -7.684 1.00 0.00 C ATOM 752 O TYR A 47 3.918 -15.640 -8.330 1.00 0.00 O ATOM 753 CB TYR A 47 5.631 -15.020 -5.367 1.00 0.00 C ATOM 754 CG TYR A 47 4.361 -15.529 -4.716 1.00 0.00 C ATOM 755 CD1 TYR A 47 3.380 -14.618 -4.280 1.00 0.00 C ATOM 756 CD2 TYR A 47 4.210 -16.904 -4.451 1.00 0.00 C ATOM 757 CE1 TYR A 47 2.266 -15.075 -3.554 1.00 0.00 C ATOM 758 CE2 TYR A 47 3.094 -17.365 -3.734 1.00 0.00 C ATOM 759 CZ TYR A 47 2.124 -16.453 -3.268 1.00 0.00 C ATOM 760 OH TYR A 47 1.061 -16.920 -2.551 1.00 0.00 O ATOM 0 H TYR A 47 3.961 -13.551 -7.350 1.00 0.00 H new ATOM 0 HA TYR A 47 6.649 -14.701 -7.191 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.420 -15.746 -5.173 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.917 -14.096 -4.864 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.483 -13.566 -4.504 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.954 -17.605 -4.800 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.518 -14.374 -3.215 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.978 -18.421 -3.539 1.00 0.00 H new ATOM 0 HH TYR A 47 0.650 -17.671 -3.027 1.00 0.00 H new ATOM 770 N CYS A 48 5.539 -17.059 -7.721 1.00 0.00 N ATOM 771 CA CYS A 48 5.173 -18.176 -8.579 1.00 0.00 C ATOM 772 C CYS A 48 5.827 -19.437 -7.990 1.00 0.00 C ATOM 773 O CYS A 48 6.199 -19.439 -6.819 1.00 0.00 O ATOM 774 CB CYS A 48 5.655 -17.884 -10.011 1.00 0.00 C ATOM 775 SG CYS A 48 4.755 -18.863 -11.232 1.00 0.00 S ATOM 0 H CYS A 48 6.334 -17.277 -7.120 1.00 0.00 H new ATOM 0 HA CYS A 48 4.094 -18.326 -8.625 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.527 -16.824 -10.229 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.721 -18.098 -10.087 1.00 0.00 H new ATOM 0 HG CYS A 48 4.297 -18.080 -12.163 1.00 0.00 H new ATOM 781 N ASN A 49 6.001 -20.499 -8.783 1.00 0.00 N ATOM 782 CA ASN A 49 6.714 -21.713 -8.372 1.00 0.00 C ATOM 783 C ASN A 49 8.202 -21.405 -8.207 1.00 0.00 C ATOM 784 O ASN A 49 8.798 -21.725 -7.178 1.00 0.00 O ATOM 785 CB ASN A 49 6.518 -22.818 -9.428 1.00 0.00 C ATOM 786 CG ASN A 49 7.201 -24.125 -9.024 1.00 0.00 C ATOM 787 OD1 ASN A 49 8.421 -24.242 -9.036 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.431 -25.142 -8.677 1.00 0.00 N ATOM 0 H ASN A 49 5.647 -20.540 -9.739 1.00 0.00 H new ATOM 0 HA ASN A 49 6.314 -22.060 -7.419 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.452 -22.996 -9.573 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.918 -22.481 -10.384 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.851 -26.034 -8.416 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.417 -25.035 -8.670 1.00 0.00 H new ATOM 795 N ALA A 50 8.769 -20.726 -9.208 1.00 0.00 N ATOM 796 CA ALA A 50 10.175 -20.377 -9.322 1.00 0.00 C ATOM 797 C ALA A 50 10.270 -18.963 -9.898 1.00 0.00 C ATOM 798 O ALA A 50 9.317 -18.467 -10.509 1.00 0.00 O ATOM 799 CB ALA A 50 10.879 -21.394 -10.230 1.00 0.00 C ATOM 0 H ALA A 50 8.223 -20.390 -10.001 1.00 0.00 H new ATOM 0 HA ALA A 50 10.664 -20.400 -8.348 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.934 -21.135 -10.317 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.785 -22.391 -9.801 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.419 -21.379 -11.218 1.00 0.00 H new ATOM 805 N GLY A 51 11.430 -18.329 -9.724 1.00 0.00 N ATOM 806 CA GLY A 51 11.630 -16.915 -10.012 1.00 0.00 C ATOM 807 C GLY A 51 11.482 -16.535 -11.486 1.00 0.00 C ATOM 808 O GLY A 51 11.304 -15.356 -11.777 1.00 0.00 O ATOM 0 H GLY A 51 12.268 -18.794 -9.374 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.916 -16.335 -9.428 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.626 -16.627 -9.675 1.00 0.00 H new ATOM 812 N ARG A 52 11.559 -17.479 -12.434 1.00 0.00 N ATOM 813 CA ARG A 52 11.504 -17.144 -13.861 1.00 0.00 C ATOM 814 C ARG A 52 10.160 -16.529 -14.259 1.00 0.00 C ATOM 815 O ARG A 52 10.139 -15.484 -14.910 1.00 0.00 O ATOM 816 CB ARG A 52 11.904 -18.350 -14.737 1.00 0.00 C ATOM 817 CG ARG A 52 10.998 -19.593 -14.633 1.00 0.00 C ATOM 818 CD ARG A 52 11.559 -20.784 -15.422 1.00 0.00 C ATOM 819 NE ARG A 52 11.554 -20.548 -16.879 1.00 0.00 N ATOM 820 CZ ARG A 52 12.149 -21.323 -17.796 1.00 0.00 C ATOM 821 NH1 ARG A 52 12.817 -22.416 -17.431 1.00 0.00 N ATOM 822 NH2 ARG A 52 12.071 -21.000 -19.083 1.00 0.00 N ATOM 0 H ARG A 52 11.659 -18.475 -12.239 1.00 0.00 H new ATOM 0 HA ARG A 52 12.246 -16.368 -14.046 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.925 -18.026 -15.778 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.920 -18.643 -14.474 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.886 -19.873 -13.586 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.003 -19.348 -15.005 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.578 -20.986 -15.093 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.970 -21.674 -15.199 1.00 0.00 H new ATOM 0 HE ARG A 52 11.055 -19.725 -17.217 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.879 -22.670 -16.445 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.266 -22.999 -18.137 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.560 -20.165 -19.369 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.522 -21.587 -19.784 1.00 0.00 H new ATOM 836 N GLN A 53 9.038 -17.134 -13.855 1.00 0.00 N ATOM 837 CA GLN A 53 7.720 -16.684 -14.302 1.00 0.00 C ATOM 838 C GLN A 53 7.304 -15.436 -13.523 1.00 0.00 C ATOM 839 O GLN A 53 6.723 -14.526 -14.112 1.00 0.00 O ATOM 840 CB GLN A 53 6.712 -17.841 -14.188 1.00 0.00 C ATOM 841 CG GLN A 53 5.311 -17.547 -14.749 1.00 0.00 C ATOM 842 CD GLN A 53 4.432 -18.803 -14.874 1.00 0.00 C ATOM 843 OE1 GLN A 53 4.826 -19.791 -15.488 1.00 0.00 O ATOM 844 NE2 GLN A 53 3.222 -18.812 -14.329 1.00 0.00 N ATOM 0 H GLN A 53 9.018 -17.933 -13.222 1.00 0.00 H new ATOM 0 HA GLN A 53 7.751 -16.396 -15.353 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.119 -18.709 -14.707 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.615 -18.115 -13.137 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.812 -16.825 -14.102 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.410 -17.082 -15.730 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.887 -17.996 -13.817 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.627 -19.635 -14.422 1.00 0.00 H new ATOM 853 N SER A 54 7.640 -15.337 -12.232 1.00 0.00 N ATOM 854 CA SER A 54 7.396 -14.112 -11.481 1.00 0.00 C ATOM 855 C SER A 54 8.341 -12.992 -11.938 1.00 0.00 C ATOM 856 O SER A 54 7.989 -11.820 -11.838 1.00 0.00 O ATOM 857 CB SER A 54 7.500 -14.401 -9.981 1.00 0.00 C ATOM 858 OG SER A 54 8.753 -14.978 -9.667 1.00 0.00 O ATOM 0 H SER A 54 8.077 -16.085 -11.694 1.00 0.00 H new ATOM 0 HA SER A 54 6.385 -13.756 -11.679 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.369 -13.477 -9.418 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.698 -15.075 -9.679 1.00 0.00 H new ATOM 0 HG SER A 54 8.814 -15.121 -8.699 1.00 0.00 H new ATOM 864 N GLY A 55 9.534 -13.314 -12.444 1.00 0.00 N ATOM 865 CA GLY A 55 10.474 -12.340 -12.980 1.00 0.00 C ATOM 866 C GLY A 55 9.914 -11.736 -14.259 1.00 0.00 C ATOM 867 O GLY A 55 9.832 -10.515 -14.378 1.00 0.00 O ATOM 0 H GLY A 55 9.874 -14.274 -12.491 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.657 -11.555 -12.246 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.432 -12.818 -13.182 1.00 0.00 H new ATOM 871 N GLN A 56 9.422 -12.583 -15.169 1.00 0.00 N ATOM 872 CA GLN A 56 8.686 -12.123 -16.338 1.00 0.00 C ATOM 873 C GLN A 56 7.478 -11.293 -15.905 1.00 0.00 C ATOM 874 O GLN A 56 7.267 -10.219 -16.460 1.00 0.00 O ATOM 875 CB GLN A 56 8.285 -13.318 -17.213 1.00 0.00 C ATOM 876 CG GLN A 56 9.475 -13.863 -18.022 1.00 0.00 C ATOM 877 CD GLN A 56 9.662 -13.121 -19.349 1.00 0.00 C ATOM 878 OE1 GLN A 56 9.170 -13.560 -20.387 1.00 0.00 O ATOM 879 NE2 GLN A 56 10.353 -11.992 -19.378 1.00 0.00 N ATOM 0 H GLN A 56 9.524 -13.596 -15.112 1.00 0.00 H new ATOM 0 HA GLN A 56 9.325 -11.478 -16.941 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.882 -14.110 -16.582 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.490 -13.018 -17.895 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.385 -13.777 -17.428 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.322 -14.924 -18.220 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.763 -11.623 -18.520 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.475 -11.491 -20.258 1.00 0.00 H new ATOM 888 N ALA A 57 6.730 -11.718 -14.880 1.00 0.00 N ATOM 889 CA ALA A 57 5.624 -10.926 -14.356 1.00 0.00 C ATOM 890 C ALA A 57 6.086 -9.555 -13.854 1.00 0.00 C ATOM 891 O ALA A 57 5.390 -8.571 -14.101 1.00 0.00 O ATOM 892 CB ALA A 57 4.887 -11.685 -13.253 1.00 0.00 C ATOM 0 H ALA A 57 6.875 -12.607 -14.401 1.00 0.00 H new ATOM 0 HA ALA A 57 4.933 -10.753 -15.181 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.066 -11.074 -12.877 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.491 -12.618 -13.655 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.578 -11.905 -12.439 1.00 0.00 H new ATOM 898 N LYS A 58 7.248 -9.453 -13.193 1.00 0.00 N ATOM 899 CA LYS A 58 7.758 -8.163 -12.734 1.00 0.00 C ATOM 900 C LYS A 58 7.955 -7.239 -13.936 1.00 0.00 C ATOM 901 O LYS A 58 7.552 -6.075 -13.896 1.00 0.00 O ATOM 902 CB LYS A 58 9.042 -8.291 -11.892 1.00 0.00 C ATOM 903 CG LYS A 58 9.687 -6.912 -11.627 1.00 0.00 C ATOM 904 CD LYS A 58 10.624 -6.928 -10.415 1.00 0.00 C ATOM 905 CE LYS A 58 11.328 -5.574 -10.231 1.00 0.00 C ATOM 906 NZ LYS A 58 12.448 -5.639 -9.254 1.00 0.00 N ATOM 0 H LYS A 58 7.847 -10.247 -12.967 1.00 0.00 H new ATOM 0 HA LYS A 58 7.017 -7.726 -12.065 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.809 -8.773 -10.943 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.755 -8.934 -12.409 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.245 -6.599 -12.510 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.903 -6.172 -11.467 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.055 -7.169 -9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.370 -7.713 -10.540 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.710 -5.234 -11.194 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.601 -4.834 -9.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.973 -4.741 -9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.068 -5.804 -8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.088 -6.418 -9.511 1.00 0.00 H new ATOM 920 N GLU A 59 8.564 -7.755 -15.004 1.00 0.00 N ATOM 921 CA GLU A 59 8.889 -6.976 -16.192 1.00 0.00 C ATOM 922 C GLU A 59 7.588 -6.542 -16.865 1.00 0.00 C ATOM 923 O GLU A 59 7.406 -5.370 -17.187 1.00 0.00 O ATOM 924 CB GLU A 59 9.745 -7.817 -17.158 1.00 0.00 C ATOM 925 CG GLU A 59 11.141 -8.143 -16.605 1.00 0.00 C ATOM 926 CD GLU A 59 11.903 -9.110 -17.530 1.00 0.00 C ATOM 927 OE1 GLU A 59 11.623 -10.331 -17.514 1.00 0.00 O ATOM 928 OE2 GLU A 59 12.802 -8.654 -18.276 1.00 0.00 O ATOM 0 H GLU A 59 8.846 -8.733 -15.066 1.00 0.00 H new ATOM 0 HA GLU A 59 9.464 -6.093 -15.912 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.223 -8.748 -17.379 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.851 -7.280 -18.100 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.712 -7.222 -16.490 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.046 -8.585 -15.613 1.00 0.00 H new ATOM 935 N ILE A 60 6.659 -7.483 -17.022 1.00 0.00 N ATOM 936 CA ILE A 60 5.367 -7.287 -17.656 1.00 0.00 C ATOM 937 C ILE A 60 4.575 -6.208 -16.910 1.00 0.00 C ATOM 938 O ILE A 60 4.079 -5.279 -17.545 1.00 0.00 O ATOM 939 CB ILE A 60 4.670 -8.667 -17.737 1.00 0.00 C ATOM 940 CG1 ILE A 60 5.298 -9.495 -18.885 1.00 0.00 C ATOM 941 CG2 ILE A 60 3.155 -8.560 -17.920 1.00 0.00 C ATOM 942 CD1 ILE A 60 4.921 -10.983 -18.870 1.00 0.00 C ATOM 0 H ILE A 60 6.796 -8.440 -16.696 1.00 0.00 H new ATOM 0 HA ILE A 60 5.458 -6.910 -18.675 1.00 0.00 H new ATOM 0 HB ILE A 60 4.829 -9.170 -16.783 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.991 -9.064 -19.838 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.383 -9.407 -18.830 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.723 -9.560 -17.970 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.724 -8.020 -17.077 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.937 -8.024 -18.844 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.403 -11.489 -19.707 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.253 -11.433 -17.934 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.839 -11.085 -18.958 1.00 0.00 H new ATOM 954 N LEU A 61 4.470 -6.280 -15.580 1.00 0.00 N ATOM 955 CA LEU A 61 3.709 -5.287 -14.826 1.00 0.00 C ATOM 956 C LEU A 61 4.402 -3.923 -14.858 1.00 0.00 C ATOM 957 O LEU A 61 3.722 -2.895 -14.879 1.00 0.00 O ATOM 958 CB LEU A 61 3.475 -5.747 -13.381 1.00 0.00 C ATOM 959 CG LEU A 61 2.531 -6.958 -13.228 1.00 0.00 C ATOM 960 CD1 LEU A 61 2.271 -7.195 -11.737 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.190 -6.785 -13.952 1.00 0.00 C ATOM 0 H LEU A 61 4.899 -7.009 -15.010 1.00 0.00 H new ATOM 0 HA LEU A 61 2.736 -5.182 -15.305 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.437 -5.997 -12.935 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.066 -4.912 -12.811 1.00 0.00 H new ATOM 0 HG LEU A 61 3.028 -7.811 -13.690 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.605 -8.049 -11.615 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.215 -7.396 -11.231 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.808 -6.309 -11.303 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.578 -7.674 -13.801 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.670 -5.914 -13.552 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.368 -6.643 -15.018 1.00 0.00 H new ATOM 973 N SER A 62 5.736 -3.892 -14.908 1.00 0.00 N ATOM 974 CA SER A 62 6.472 -2.646 -15.080 1.00 0.00 C ATOM 975 C SER A 62 6.152 -2.024 -16.449 1.00 0.00 C ATOM 976 O SER A 62 5.929 -0.816 -16.532 1.00 0.00 O ATOM 977 CB SER A 62 7.976 -2.888 -14.901 1.00 0.00 C ATOM 978 OG SER A 62 8.249 -3.495 -13.648 1.00 0.00 O ATOM 0 H SER A 62 6.326 -4.720 -14.831 1.00 0.00 H new ATOM 0 HA SER A 62 6.160 -1.936 -14.314 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.343 -3.525 -15.705 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.511 -1.941 -14.975 1.00 0.00 H new ATOM 0 HG SER A 62 8.224 -4.470 -13.745 1.00 0.00 H new ATOM 984 N GLU A 63 6.048 -2.828 -17.514 1.00 0.00 N ATOM 985 CA GLU A 63 5.650 -2.366 -18.841 1.00 0.00 C ATOM 986 C GLU A 63 4.181 -1.912 -18.861 1.00 0.00 C ATOM 987 O GLU A 63 3.848 -0.968 -19.579 1.00 0.00 O ATOM 988 CB GLU A 63 5.905 -3.458 -19.895 1.00 0.00 C ATOM 989 CG GLU A 63 7.394 -3.672 -20.211 1.00 0.00 C ATOM 990 CD GLU A 63 8.018 -2.477 -20.955 1.00 0.00 C ATOM 991 OE1 GLU A 63 7.857 -2.373 -22.193 1.00 0.00 O ATOM 992 OE2 GLU A 63 8.695 -1.638 -20.319 1.00 0.00 O ATOM 0 H GLU A 63 6.241 -3.829 -17.474 1.00 0.00 H new ATOM 0 HA GLU A 63 6.263 -1.500 -19.091 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.478 -4.397 -19.544 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.381 -3.194 -20.814 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.938 -3.841 -19.282 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.508 -4.572 -20.816 1.00 0.00 H new ATOM 999 N MET A 64 3.312 -2.517 -18.039 1.00 0.00 N ATOM 1000 CA MET A 64 1.942 -2.043 -17.803 1.00 0.00 C ATOM 1001 C MET A 64 1.908 -0.742 -16.980 1.00 0.00 C ATOM 1002 O MET A 64 0.824 -0.226 -16.695 1.00 0.00 O ATOM 1003 CB MET A 64 1.093 -3.127 -17.119 1.00 0.00 C ATOM 1004 CG MET A 64 0.835 -4.346 -18.008 1.00 0.00 C ATOM 1005 SD MET A 64 -0.170 -5.625 -17.207 1.00 0.00 S ATOM 1006 CE MET A 64 -1.817 -4.872 -17.321 1.00 0.00 C ATOM 0 H MET A 64 3.544 -3.360 -17.513 1.00 0.00 H new ATOM 0 HA MET A 64 1.514 -1.824 -18.781 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.596 -3.451 -16.208 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.138 -2.695 -16.820 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.335 -4.021 -18.921 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.791 -4.779 -18.304 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.570 -5.593 -17.001 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.860 -3.993 -16.678 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.012 -4.577 -18.352 1.00 0.00 H new ATOM 1016 N GLY A 65 3.060 -0.194 -16.585 1.00 0.00 N ATOM 1017 CA GLY A 65 3.160 1.125 -15.982 1.00 0.00 C ATOM 1018 C GLY A 65 2.900 1.120 -14.479 1.00 0.00 C ATOM 1019 O GLY A 65 2.689 2.193 -13.915 1.00 0.00 O ATOM 0 H GLY A 65 3.959 -0.666 -16.679 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.155 1.529 -16.171 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.447 1.793 -16.465 1.00 0.00 H new ATOM 1023 N TYR A 66 2.892 -0.044 -13.818 1.00 0.00 N ATOM 1024 CA TYR A 66 2.867 -0.092 -12.361 1.00 0.00 C ATOM 1025 C TYR A 66 4.181 0.506 -11.868 1.00 0.00 C ATOM 1026 O TYR A 66 5.260 0.011 -12.203 1.00 0.00 O ATOM 1027 CB TYR A 66 2.624 -1.521 -11.855 1.00 0.00 C ATOM 1028 CG TYR A 66 1.173 -1.940 -11.998 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.662 -2.332 -13.250 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.312 -1.851 -10.889 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -0.715 -2.569 -13.413 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -1.063 -2.089 -11.047 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.590 -2.407 -12.316 1.00 0.00 C ATOM 1034 OH TYR A 66 -2.933 -2.519 -12.494 1.00 0.00 O ATOM 0 H TYR A 66 2.902 -0.958 -14.271 1.00 0.00 H new ATOM 0 HA TYR A 66 2.037 0.491 -11.962 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.257 -2.214 -12.410 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.919 -1.589 -10.808 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.331 -2.451 -14.090 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.708 -1.600 -9.916 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.102 -2.874 -14.374 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.720 -2.028 -10.192 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.395 -2.259 -11.670 1.00 0.00 H new ATOM 1044 N THR A 67 4.094 1.608 -11.126 1.00 0.00 N ATOM 1045 CA THR A 67 5.248 2.421 -10.762 1.00 0.00 C ATOM 1046 C THR A 67 6.027 1.797 -9.597 1.00 0.00 C ATOM 1047 O THR A 67 7.177 2.173 -9.354 1.00 0.00 O ATOM 1048 CB THR A 67 4.770 3.853 -10.464 1.00 0.00 C ATOM 1049 OG1 THR A 67 3.721 3.835 -9.518 1.00 0.00 O ATOM 1050 CG2 THR A 67 4.224 4.521 -11.731 1.00 0.00 C ATOM 0 H THR A 67 3.211 1.963 -10.758 1.00 0.00 H new ATOM 0 HA THR A 67 5.951 2.461 -11.594 1.00 0.00 H new ATOM 0 HB THR A 67 5.628 4.406 -10.082 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.428 4.752 -9.337 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.892 5.532 -11.495 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.008 4.563 -12.487 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.383 3.943 -12.113 1.00 0.00 H new ATOM 1058 N HIS A 68 5.437 0.807 -8.919 1.00 0.00 N ATOM 1059 CA HIS A 68 6.080 -0.012 -7.912 1.00 0.00 C ATOM 1060 C HIS A 68 5.715 -1.463 -8.219 1.00 0.00 C ATOM 1061 O HIS A 68 4.544 -1.844 -8.179 1.00 0.00 O ATOM 1062 CB HIS A 68 5.612 0.390 -6.506 1.00 0.00 C ATOM 1063 CG HIS A 68 6.056 1.756 -6.041 1.00 0.00 C ATOM 1064 ND1 HIS A 68 7.017 2.015 -5.088 1.00 0.00 N ATOM 1065 CD2 HIS A 68 5.529 2.963 -6.418 1.00 0.00 C ATOM 1066 CE1 HIS A 68 7.071 3.343 -4.901 1.00 0.00 C ATOM 1067 NE2 HIS A 68 6.188 3.972 -5.699 1.00 0.00 N ATOM 0 H HIS A 68 4.461 0.553 -9.070 1.00 0.00 H new ATOM 0 HA HIS A 68 7.161 0.122 -7.933 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.523 0.352 -6.479 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.974 -0.353 -5.795 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.743 3.112 -7.143 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.732 3.839 -4.206 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.030 4.977 -5.767 1.00 0.00 H new ATOM 1075 N VAL A 69 6.721 -2.279 -8.511 1.00 0.00 N ATOM 1076 CA VAL A 69 6.608 -3.721 -8.663 1.00 0.00 C ATOM 1077 C VAL A 69 7.874 -4.280 -8.026 1.00 0.00 C ATOM 1078 O VAL A 69 8.942 -3.668 -8.134 1.00 0.00 O ATOM 1079 CB VAL A 69 6.501 -4.127 -10.153 1.00 0.00 C ATOM 1080 CG1 VAL A 69 6.333 -5.647 -10.309 1.00 0.00 C ATOM 1081 CG2 VAL A 69 5.325 -3.454 -10.874 1.00 0.00 C ATOM 0 H VAL A 69 7.672 -1.940 -8.653 1.00 0.00 H new ATOM 0 HA VAL A 69 5.706 -4.110 -8.190 1.00 0.00 H new ATOM 0 HB VAL A 69 7.435 -3.793 -10.606 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.261 -5.898 -11.367 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.193 -6.155 -9.873 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.425 -5.967 -9.797 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.303 -3.778 -11.914 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.391 -3.734 -10.387 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.445 -2.371 -10.834 1.00 0.00 H new ATOM 1091 N GLU A 70 7.779 -5.441 -7.386 1.00 0.00 N ATOM 1092 CA GLU A 70 8.933 -6.144 -6.868 1.00 0.00 C ATOM 1093 C GLU A 70 8.736 -7.642 -7.087 1.00 0.00 C ATOM 1094 O GLU A 70 7.608 -8.128 -7.188 1.00 0.00 O ATOM 1095 CB GLU A 70 9.153 -5.751 -5.396 1.00 0.00 C ATOM 1096 CG GLU A 70 10.430 -6.324 -4.764 1.00 0.00 C ATOM 1097 CD GLU A 70 11.710 -5.940 -5.531 1.00 0.00 C ATOM 1098 OE1 GLU A 70 11.923 -6.472 -6.647 1.00 0.00 O ATOM 1099 OE2 GLU A 70 12.503 -5.113 -5.025 1.00 0.00 O ATOM 0 H GLU A 70 6.893 -5.917 -7.215 1.00 0.00 H new ATOM 0 HA GLU A 70 9.844 -5.865 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.185 -4.664 -5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.294 -6.084 -4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.510 -5.970 -3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.351 -7.410 -4.722 1.00 0.00 H new ATOM 1106 N ASN A 71 9.842 -8.374 -7.196 1.00 0.00 N ATOM 1107 CA ASN A 71 9.837 -9.805 -7.434 1.00 0.00 C ATOM 1108 C ASN A 71 10.197 -10.490 -6.127 1.00 0.00 C ATOM 1109 O ASN A 71 11.321 -10.334 -5.644 1.00 0.00 O ATOM 1110 CB ASN A 71 10.842 -10.173 -8.530 1.00 0.00 C ATOM 1111 CG ASN A 71 10.784 -11.674 -8.744 1.00 0.00 C ATOM 1112 OD1 ASN A 71 11.628 -12.429 -8.276 1.00 0.00 O ATOM 1113 ND2 ASN A 71 9.737 -12.128 -9.405 1.00 0.00 N ATOM 0 H ASN A 71 10.779 -7.978 -7.119 1.00 0.00 H new ATOM 0 HA ASN A 71 8.853 -10.129 -7.773 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.604 -9.648 -9.455 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.848 -9.869 -8.240 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.614 -13.132 -9.538 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.051 -11.475 -9.783 1.00 0.00 H new ATOM 1120 N ALA A 72 9.244 -11.212 -5.534 1.00 0.00 N ATOM 1121 CA ALA A 72 9.495 -11.886 -4.270 1.00 0.00 C ATOM 1122 C ALA A 72 10.351 -13.140 -4.472 1.00 0.00 C ATOM 1123 O ALA A 72 11.167 -13.463 -3.608 1.00 0.00 O ATOM 1124 CB ALA A 72 8.173 -12.231 -3.587 1.00 0.00 C ATOM 0 H ALA A 72 8.304 -11.341 -5.908 1.00 0.00 H new ATOM 0 HA ALA A 72 10.054 -11.209 -3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.373 -12.735 -2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.611 -11.316 -3.399 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.590 -12.888 -4.233 1.00 0.00 H new ATOM 1130 N GLY A 73 10.175 -13.838 -5.600 1.00 0.00 N ATOM 1131 CA GLY A 73 10.897 -15.058 -5.931 1.00 0.00 C ATOM 1132 C GLY A 73 9.905 -16.116 -6.386 1.00 0.00 C ATOM 1133 O GLY A 73 8.914 -15.801 -7.054 1.00 0.00 O ATOM 0 H GLY A 73 9.510 -13.558 -6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.625 -14.862 -6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.453 -15.413 -5.063 1.00 0.00 H new ATOM 1137 N GLY A 74 10.154 -17.363 -5.991 1.00 0.00 N ATOM 1138 CA GLY A 74 9.221 -18.465 -6.141 1.00 0.00 C ATOM 1139 C GLY A 74 8.993 -19.104 -4.778 1.00 0.00 C ATOM 1140 O GLY A 74 9.843 -19.010 -3.890 1.00 0.00 O ATOM 0 H GLY A 74 11.032 -17.636 -5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.277 -18.107 -6.553 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.616 -19.201 -6.842 1.00 0.00 H new ATOM 1144 N LEU A 75 7.842 -19.749 -4.589 1.00 0.00 N ATOM 1145 CA LEU A 75 7.388 -20.205 -3.283 1.00 0.00 C ATOM 1146 C LEU A 75 8.308 -21.263 -2.668 1.00 0.00 C ATOM 1147 O LEU A 75 8.323 -21.425 -1.448 1.00 0.00 O ATOM 1148 CB LEU A 75 5.932 -20.693 -3.381 1.00 0.00 C ATOM 1149 CG LEU A 75 5.235 -20.769 -2.013 1.00 0.00 C ATOM 1150 CD1 LEU A 75 5.205 -19.426 -1.265 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.803 -21.239 -2.224 1.00 0.00 C ATOM 0 H LEU A 75 7.196 -19.970 -5.347 1.00 0.00 H new ATOM 0 HA LEU A 75 7.429 -19.356 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.372 -20.022 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.915 -21.678 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 75 5.809 -21.464 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.699 -19.554 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.225 -19.083 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.670 -18.688 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.294 -21.298 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.280 -20.533 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.808 -22.223 -2.693 1.00 0.00 H new ATOM 1163 N LYS A 76 9.101 -21.954 -3.493 1.00 0.00 N ATOM 1164 CA LYS A 76 10.100 -22.912 -3.028 1.00 0.00 C ATOM 1165 C LYS A 76 11.239 -22.239 -2.257 1.00 0.00 C ATOM 1166 O LYS A 76 11.896 -22.908 -1.458 1.00 0.00 O ATOM 1167 CB LYS A 76 10.658 -23.709 -4.221 1.00 0.00 C ATOM 1168 CG LYS A 76 9.584 -24.569 -4.915 1.00 0.00 C ATOM 1169 CD LYS A 76 10.109 -25.298 -6.161 1.00 0.00 C ATOM 1170 CE LYS A 76 11.198 -26.328 -5.823 1.00 0.00 C ATOM 1171 NZ LYS A 76 11.658 -27.071 -7.023 1.00 0.00 N ATOM 0 H LYS A 76 9.065 -21.861 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 76 9.604 -23.591 -2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.088 -23.018 -4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.467 -24.353 -3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.201 -25.303 -4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.746 -23.933 -5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.281 -25.800 -6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.509 -24.568 -6.864 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.047 -25.820 -5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.813 -27.033 -5.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.392 -27.754 -6.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.855 -27.578 -7.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.050 -26.402 -7.716 1.00 0.00 H new ATOM 1185 N ASP A 77 11.477 -20.942 -2.471 1.00 0.00 N ATOM 1186 CA ASP A 77 12.548 -20.182 -1.822 1.00 0.00 C ATOM 1187 C ASP A 77 11.988 -19.167 -0.821 1.00 0.00 C ATOM 1188 O ASP A 77 12.661 -18.824 0.152 1.00 0.00 O ATOM 1189 CB ASP A 77 13.378 -19.462 -2.891 1.00 0.00 C ATOM 1190 CG ASP A 77 14.503 -18.622 -2.263 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.490 -19.206 -1.761 1.00 0.00 O ATOM 1192 OD2 ASP A 77 14.430 -17.374 -2.307 1.00 0.00 O ATOM 0 H ASP A 77 10.919 -20.380 -3.114 1.00 0.00 H new ATOM 0 HA ASP A 77 13.178 -20.879 -1.269 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.808 -20.195 -3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.729 -18.817 -3.483 1.00 0.00 H new ATOM 1197 N ILE A 78 10.750 -18.708 -1.030 1.00 0.00 N ATOM 1198 CA ILE A 78 10.070 -17.775 -0.132 1.00 0.00 C ATOM 1199 C ILE A 78 9.768 -18.510 1.184 1.00 0.00 C ATOM 1200 O ILE A 78 9.331 -19.665 1.173 1.00 0.00 O ATOM 1201 CB ILE A 78 8.808 -17.208 -0.832 1.00 0.00 C ATOM 1202 CG1 ILE A 78 9.220 -16.288 -2.007 1.00 0.00 C ATOM 1203 CG2 ILE A 78 7.874 -16.445 0.126 1.00 0.00 C ATOM 1204 CD1 ILE A 78 8.064 -15.937 -2.949 1.00 0.00 C ATOM 0 H ILE A 78 10.187 -18.978 -1.837 1.00 0.00 H new ATOM 0 HA ILE A 78 10.695 -16.915 0.108 1.00 0.00 H new ATOM 0 HB ILE A 78 8.247 -18.065 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.642 -15.367 -1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.008 -16.776 -2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.011 -16.074 -0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.538 -17.115 0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.411 -15.605 0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.429 -15.290 -3.747 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.656 -16.851 -3.381 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.284 -15.420 -2.391 1.00 0.00 H new ATOM 1216 N ALA A 79 9.948 -17.812 2.312 1.00 0.00 N ATOM 1217 CA ALA A 79 9.758 -18.338 3.665 1.00 0.00 C ATOM 1218 C ALA A 79 8.806 -17.447 4.480 1.00 0.00 C ATOM 1219 O ALA A 79 8.914 -17.343 5.705 1.00 0.00 O ATOM 1220 CB ALA A 79 11.128 -18.532 4.330 1.00 0.00 C ATOM 0 H ALA A 79 10.239 -16.834 2.305 1.00 0.00 H new ATOM 0 HA ALA A 79 9.274 -19.314 3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.991 -18.924 5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 79 11.720 -19.235 3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.647 -17.575 4.380 1.00 0.00 H new ATOM 1226 N MET A 80 7.884 -16.783 3.781 1.00 0.00 N ATOM 1227 CA MET A 80 6.752 -16.077 4.381 1.00 0.00 C ATOM 1228 C MET A 80 5.825 -17.098 5.070 1.00 0.00 C ATOM 1229 O MET A 80 5.896 -18.289 4.742 1.00 0.00 O ATOM 1230 CB MET A 80 5.980 -15.325 3.280 1.00 0.00 C ATOM 1231 CG MET A 80 6.733 -14.097 2.752 1.00 0.00 C ATOM 1232 SD MET A 80 6.853 -12.699 3.906 1.00 0.00 S ATOM 1233 CE MET A 80 5.152 -12.067 3.831 1.00 0.00 C ATOM 0 H MET A 80 7.904 -16.720 2.763 1.00 0.00 H new ATOM 0 HA MET A 80 7.110 -15.361 5.120 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.782 -16.006 2.453 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.013 -15.010 3.672 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.741 -14.403 2.473 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.241 -13.754 1.842 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.082 -11.141 4.402 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.881 -11.874 2.793 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.470 -12.806 4.253 1.00 0.00 H new ATOM 1243 N PRO A 81 4.938 -16.664 5.990 1.00 0.00 N ATOM 1244 CA PRO A 81 3.862 -17.500 6.518 1.00 0.00 C ATOM 1245 C PRO A 81 3.117 -18.203 5.379 1.00 0.00 C ATOM 1246 O PRO A 81 2.883 -17.599 4.328 1.00 0.00 O ATOM 1247 CB PRO A 81 2.953 -16.551 7.305 1.00 0.00 C ATOM 1248 CG PRO A 81 3.910 -15.450 7.756 1.00 0.00 C ATOM 1249 CD PRO A 81 4.870 -15.331 6.573 1.00 0.00 C ATOM 0 HA PRO A 81 4.236 -18.297 7.161 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.148 -16.157 6.685 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.486 -17.051 8.153 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.387 -14.513 7.948 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.431 -15.719 8.675 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.509 -14.603 5.846 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.854 -14.995 6.899 1.00 0.00 H new ATOM 1257 N LYS A 82 2.712 -19.457 5.583 1.00 0.00 N ATOM 1258 CA LYS A 82 2.224 -20.327 4.512 1.00 0.00 C ATOM 1259 C LYS A 82 0.901 -20.979 4.875 1.00 0.00 C ATOM 1260 O LYS A 82 0.484 -20.988 6.035 1.00 0.00 O ATOM 1261 CB LYS A 82 3.301 -21.395 4.200 1.00 0.00 C ATOM 1262 CG LYS A 82 3.965 -21.129 2.845 1.00 0.00 C ATOM 1263 CD LYS A 82 5.257 -21.937 2.656 1.00 0.00 C ATOM 1264 CE LYS A 82 6.062 -21.342 1.491 1.00 0.00 C ATOM 1265 NZ LYS A 82 7.106 -22.264 0.987 1.00 0.00 N ATOM 0 H LYS A 82 2.713 -19.900 6.502 1.00 0.00 H new ATOM 0 HA LYS A 82 2.042 -19.722 3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.057 -21.394 4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.846 -22.385 4.197 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.266 -21.376 2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.188 -20.066 2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.850 -21.916 3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.020 -22.981 2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.383 -21.090 0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.530 -20.413 1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.618 -21.813 0.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.773 -22.486 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.661 -23.142 0.650 1.00 0.00 H new ATOM 1279 N VAL A 83 0.264 -21.542 3.859 1.00 0.00 N ATOM 1280 CA VAL A 83 -0.885 -22.420 3.947 1.00 0.00 C ATOM 1281 C VAL A 83 -0.730 -23.419 2.805 1.00 0.00 C ATOM 1282 O VAL A 83 -0.027 -23.174 1.819 1.00 0.00 O ATOM 1283 CB VAL A 83 -2.199 -21.612 3.939 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -2.265 -20.574 2.812 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -3.472 -22.471 3.917 1.00 0.00 C ATOM 0 H VAL A 83 0.556 -21.386 2.894 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.935 -22.968 4.888 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.173 -21.090 4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.214 -20.041 2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.444 -19.865 2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.183 -21.077 1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.348 -21.823 3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.476 -23.093 3.022 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.496 -23.108 4.801 1.00 0.00 H new ATOM 1295 N LYS A 84 -1.360 -24.573 2.973 1.00 0.00 N ATOM 1296 CA LYS A 84 -1.173 -25.751 2.133 1.00 0.00 C ATOM 1297 C LYS A 84 -2.525 -26.428 1.919 1.00 0.00 C ATOM 1298 O LYS A 84 -3.443 -26.242 2.724 1.00 0.00 O ATOM 1299 CB LYS A 84 -0.194 -26.717 2.829 1.00 0.00 C ATOM 1300 CG LYS A 84 1.267 -26.225 2.938 1.00 0.00 C ATOM 1301 CD LYS A 84 2.009 -27.090 3.972 1.00 0.00 C ATOM 1302 CE LYS A 84 3.485 -26.710 4.171 1.00 0.00 C ATOM 1303 NZ LYS A 84 4.373 -27.230 3.103 1.00 0.00 N ATOM 0 H LYS A 84 -2.037 -24.721 3.721 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.760 -25.465 1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.565 -26.921 3.833 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.200 -27.664 2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.760 -26.291 1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.290 -25.177 3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.494 -27.013 4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.953 -28.134 3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.572 -25.624 4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.825 -27.091 5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.364 -27.028 3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.241 -28.258 3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.138 -26.769 2.201 1.00 0.00 H new ATOM 1317 N GLY A 85 -2.641 -27.242 0.873 1.00 0.00 N ATOM 1318 CA GLY A 85 -3.826 -28.037 0.586 1.00 0.00 C ATOM 1319 C GLY A 85 -3.501 -29.086 -0.468 1.00 0.00 C ATOM 1320 O GLY A 85 -2.373 -29.621 -0.449 1.00 0.00 O ATOM 1321 OXT GLY A 85 -4.381 -29.388 -1.297 1.00 0.00 O ATOM 0 H GLY A 85 -1.896 -27.368 0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.180 -28.521 1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.631 -27.392 0.234 1.00 0.00 H new