USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 891 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 25 LYS NZ :NH3+ -143:sc= 2.37 (180deg=0.372) USER MOD Set 1.2: A 115 HIS : no HD1:sc= 0.482 K(o=3.4,f=0.28) USER MOD Set 1.3: A 116 HIS : no HD1:sc= 0.555 K(o=3.4,f=-2.9!) USER MOD Set 2.1: A 110 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 111 HIS : no HD1:sc= -0.0723 X(o=-0.072,f=-0.48) USER MOD Set 3.1: A 103 ASN : amide:sc= 0.213 X(o=0.39,f=0.47) USER MOD Set 3.2: A 106 TYR OH : rot 30:sc= 0.18 USER MOD Set 4.1: A 1 ASP N :NH3+ 142:sc= 0.74 (180deg=0.000801) USER MOD Set 4.2: A 100 THR OG1 : rot 180:sc= 0.65 USER MOD Set 5.1: A 90 SER OG : rot 180:sc= 0.521 USER MOD Set 5.2: A 93 THR OG1 : rot 123:sc= 0.571 USER MOD Set 6.1: A 34 GLN : amide:sc= 0.746 K(o=1.4,f=-0.51) USER MOD Set 6.2: A 68 THR OG1 : rot -150:sc= 0.672 USER MOD Set 7.1: A 22 LYS NZ :NH3+ -154:sc= 1.16 (180deg=0) USER MOD Set 7.2: A 77 THR OG1 : rot 160:sc= 0.979 USER MOD Single : A 5 LYS NZ :NH3+ 154:sc= 2.14 (180deg=1.19) USER MOD Single : A 7 GLN : amide:sc= 0.892 K(o=0.89,f=-0.14) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.405 K(o=0.41,f=-3.8!) USER MOD Single : A 15 LYS NZ :NH3+ 175:sc= 0.657 (180deg=0.623) USER MOD Single : A 18 LYS NZ :NH3+ -128:sc= 1.05 (180deg=-0.0726) USER MOD Single : A 24 LYS NZ :NH3+ -156:sc= 1.28 (180deg=0.498) USER MOD Single : A 27 GLN : amide:sc= -0.192 K(o=-0.19,f=-0.71) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0.682 K(o=0.68,f=0) USER MOD Single : A 38 SER OG : rot -130:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.7 K(o=1.7,f=-5.5!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= 3.58 (180deg=3.1) USER MOD Single : A 49 SER OG : rot -14:sc= 0.0262 USER MOD Single : A 50 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -160:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0.511 K(o=0.51,f=-1.8!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0.758 K(o=0.76,f=-0.065) USER MOD Single : A 88 TYR OH : rot 15:sc= 0.899 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -120:sc= -0.0292 USER MOD Single : A 101 ASN : amide:sc= -0.333 K(o=-0.33,f=-6!) USER MOD Single : A 112 HIS : no HD1:sc= 0.55 K(o=0.55,f=-5.6!) USER MOD Single : A 113 HIS : no HD1:sc= 0.662 K(o=0.66,f=-3.2!) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -0.523 -3.246 -0.542 1.00 0.00 N ATOM 2 CA ASP A 1 0.559 -3.184 0.476 1.00 0.00 C ATOM 3 C ASP A 1 1.844 -3.834 -0.054 1.00 0.00 C ATOM 4 O ASP A 1 2.826 -3.137 -0.305 1.00 0.00 O ATOM 5 CB ASP A 1 0.118 -3.783 1.827 1.00 0.00 C ATOM 6 CG ASP A 1 1.187 -3.554 2.902 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.330 -2.397 3.358 1.00 0.00 O ATOM 8 OD2 ASP A 1 1.892 -4.518 3.275 1.00 0.00 O ATOM 0 H1 ASP A 1 -1.432 -3.431 -0.072 1.00 0.00 H new ATOM 0 H2 ASP A 1 -0.574 -2.340 -1.050 1.00 0.00 H new ATOM 0 H3 ASP A 1 -0.321 -4.011 -1.217 1.00 0.00 H new ATOM 0 HA ASP A 1 0.776 -2.133 0.666 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -0.822 -3.329 2.141 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -0.066 -4.851 1.713 1.00 0.00 H new ATOM 15 N VAL A 2 1.818 -5.146 -0.291 1.00 0.00 N ATOM 16 CA VAL A 2 2.892 -5.930 -0.937 1.00 0.00 C ATOM 17 C VAL A 2 2.764 -5.891 -2.445 1.00 0.00 C ATOM 18 O VAL A 2 1.666 -5.827 -2.976 1.00 0.00 O ATOM 19 CB VAL A 2 2.763 -7.396 -0.511 1.00 0.00 C ATOM 20 CG1 VAL A 2 3.311 -8.516 -1.404 1.00 0.00 C ATOM 21 CG2 VAL A 2 3.385 -7.599 0.852 1.00 0.00 C ATOM 0 H VAL A 2 1.018 -5.723 -0.030 1.00 0.00 H new ATOM 0 HA VAL A 2 3.848 -5.502 -0.637 1.00 0.00 H new ATOM 0 HB VAL A 2 1.681 -7.513 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.125 -9.481 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.814 -8.484 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.384 -8.380 -1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.287 -8.644 1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.441 -7.330 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.876 -6.969 1.582 1.00 0.00 H new ATOM 31 N ILE A 3 3.898 -6.049 -3.108 1.00 0.00 N ATOM 32 CA ILE A 3 4.067 -6.337 -4.531 1.00 0.00 C ATOM 33 C ILE A 3 4.808 -7.690 -4.534 1.00 0.00 C ATOM 34 O ILE A 3 6.021 -7.728 -4.332 1.00 0.00 O ATOM 35 CB ILE A 3 4.880 -5.229 -5.237 1.00 0.00 C ATOM 36 CG1 ILE A 3 4.206 -3.840 -5.300 1.00 0.00 C ATOM 37 CG2 ILE A 3 5.161 -5.647 -6.690 1.00 0.00 C ATOM 38 CD1 ILE A 3 3.890 -3.130 -3.977 1.00 0.00 C ATOM 0 H ILE A 3 4.797 -5.974 -2.632 1.00 0.00 H new ATOM 0 HA ILE A 3 3.124 -6.376 -5.076 1.00 0.00 H new ATOM 0 HB ILE A 3 5.778 -5.125 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.849 -3.183 -5.886 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.272 -3.947 -5.852 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.735 -4.866 -7.189 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.731 -6.576 -6.698 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.217 -5.796 -7.215 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.420 -2.168 -4.183 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.212 -3.746 -3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.813 -2.970 -3.420 1.00 0.00 H new ATOM 50 N ILE A 4 4.067 -8.806 -4.589 1.00 0.00 N ATOM 51 CA ILE A 4 4.572 -10.163 -4.385 1.00 0.00 C ATOM 52 C ILE A 4 5.581 -10.525 -5.499 1.00 0.00 C ATOM 53 O ILE A 4 5.430 -10.094 -6.651 1.00 0.00 O ATOM 54 CB ILE A 4 3.352 -11.111 -4.365 1.00 0.00 C ATOM 55 CG1 ILE A 4 3.364 -12.216 -3.306 1.00 0.00 C ATOM 56 CG2 ILE A 4 3.098 -11.778 -5.703 1.00 0.00 C ATOM 57 CD1 ILE A 4 4.610 -13.108 -3.241 1.00 0.00 C ATOM 0 H ILE A 4 3.066 -8.783 -4.784 1.00 0.00 H new ATOM 0 HA ILE A 4 5.109 -10.253 -3.441 1.00 0.00 H new ATOM 0 HB ILE A 4 2.553 -10.416 -4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.230 -11.750 -2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.498 -12.856 -3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.229 -12.431 -5.625 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.912 -11.016 -6.460 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.970 -12.367 -5.987 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.487 -13.847 -2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.743 -13.617 -4.195 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.486 -12.494 -3.032 1.00 0.00 H new ATOM 69 N LYS A 5 6.575 -11.364 -5.187 1.00 0.00 N ATOM 70 CA LYS A 5 7.648 -11.766 -6.113 1.00 0.00 C ATOM 71 C LYS A 5 8.093 -13.227 -5.944 1.00 0.00 C ATOM 72 O LYS A 5 7.956 -13.796 -4.859 1.00 0.00 O ATOM 73 CB LYS A 5 8.816 -10.810 -5.918 1.00 0.00 C ATOM 74 CG LYS A 5 8.406 -9.423 -6.417 1.00 0.00 C ATOM 75 CD LYS A 5 9.577 -8.558 -6.815 1.00 0.00 C ATOM 76 CE LYS A 5 8.988 -7.162 -6.977 1.00 0.00 C ATOM 77 NZ LYS A 5 10.011 -6.124 -7.263 1.00 0.00 N ATOM 0 H LYS A 5 6.661 -11.793 -4.266 1.00 0.00 H new ATOM 0 HA LYS A 5 7.262 -11.708 -7.131 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.095 -10.765 -4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.690 -11.165 -6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.740 -9.535 -7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.839 -8.917 -5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.357 -8.573 -6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.030 -8.907 -7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.257 -7.175 -7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.452 -6.893 -6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.571 -5.336 -7.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.408 -5.772 -6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.771 -6.536 -7.841 1.00 0.00 H new ATOM 91 N PRO A 6 8.622 -13.842 -7.022 1.00 0.00 N ATOM 92 CA PRO A 6 8.961 -15.257 -7.038 1.00 0.00 C ATOM 93 C PRO A 6 10.321 -15.561 -6.387 1.00 0.00 C ATOM 94 O PRO A 6 11.267 -14.783 -6.490 1.00 0.00 O ATOM 95 CB PRO A 6 8.952 -15.627 -8.518 1.00 0.00 C ATOM 96 CG PRO A 6 9.351 -14.346 -9.248 1.00 0.00 C ATOM 97 CD PRO A 6 8.803 -13.250 -8.345 1.00 0.00 C ATOM 0 HA PRO A 6 8.253 -15.841 -6.450 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.653 -16.435 -8.727 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.967 -15.970 -8.833 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.432 -14.269 -9.365 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.918 -14.300 -10.247 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.492 -12.406 -8.300 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.857 -12.869 -8.730 1.00 0.00 H new ATOM 105 N GLN A 7 10.446 -16.726 -5.741 1.00 0.00 N ATOM 106 CA GLN A 7 11.687 -17.166 -5.085 1.00 0.00 C ATOM 107 C GLN A 7 12.789 -17.663 -6.057 1.00 0.00 C ATOM 108 O GLN A 7 13.919 -17.906 -5.635 1.00 0.00 O ATOM 109 CB GLN A 7 11.368 -18.186 -3.978 1.00 0.00 C ATOM 110 CG GLN A 7 10.744 -19.504 -4.466 1.00 0.00 C ATOM 111 CD GLN A 7 10.558 -20.519 -3.337 1.00 0.00 C ATOM 112 OE1 GLN A 7 11.440 -20.754 -2.522 1.00 0.00 O ATOM 113 NE2 GLN A 7 9.416 -21.165 -3.238 1.00 0.00 N ATOM 0 H GLN A 7 9.683 -17.397 -5.657 1.00 0.00 H new ATOM 0 HA GLN A 7 12.128 -16.280 -4.628 1.00 0.00 H new ATOM 0 HB2 GLN A 7 12.288 -18.415 -3.440 1.00 0.00 H new ATOM 0 HB3 GLN A 7 10.688 -17.723 -3.263 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.778 -19.296 -4.926 1.00 0.00 H new ATOM 0 HG3 GLN A 7 11.378 -19.938 -5.239 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.668 -20.984 -3.907 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.279 -21.847 -2.492 1.00 0.00 H new ATOM 122 N VAL A 8 12.481 -17.776 -7.360 1.00 0.00 N ATOM 123 CA VAL A 8 13.411 -18.152 -8.454 1.00 0.00 C ATOM 124 C VAL A 8 13.088 -17.359 -9.733 1.00 0.00 C ATOM 125 O VAL A 8 12.104 -16.613 -9.771 1.00 0.00 O ATOM 126 CB VAL A 8 13.371 -19.673 -8.761 1.00 0.00 C ATOM 127 CG1 VAL A 8 13.845 -20.526 -7.581 1.00 0.00 C ATOM 128 CG2 VAL A 8 11.985 -20.159 -9.203 1.00 0.00 C ATOM 0 H VAL A 8 11.536 -17.601 -7.702 1.00 0.00 H new ATOM 0 HA VAL A 8 14.417 -17.905 -8.114 1.00 0.00 H new ATOM 0 HB VAL A 8 14.065 -19.802 -9.592 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.796 -21.581 -7.852 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.873 -20.263 -7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.204 -20.343 -6.719 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.022 -21.230 -9.403 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.261 -19.962 -8.412 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.686 -19.631 -10.108 1.00 0.00 H new ATOM 138 N SER A 9 13.880 -17.535 -10.794 1.00 0.00 N ATOM 139 CA SER A 9 13.594 -17.020 -12.145 1.00 0.00 C ATOM 140 C SER A 9 13.224 -18.146 -13.133 1.00 0.00 C ATOM 141 O SER A 9 13.426 -19.332 -12.862 1.00 0.00 O ATOM 142 CB SER A 9 14.789 -16.206 -12.674 1.00 0.00 C ATOM 143 OG SER A 9 15.968 -16.995 -12.741 1.00 0.00 O ATOM 0 H SER A 9 14.759 -18.050 -10.741 1.00 0.00 H new ATOM 0 HA SER A 9 12.726 -16.366 -12.065 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.555 -15.816 -13.664 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.961 -15.347 -12.025 1.00 0.00 H new ATOM 0 HG SER A 9 16.708 -16.450 -13.082 1.00 0.00 H new ATOM 149 N GLY A 10 12.630 -17.775 -14.270 1.00 0.00 N ATOM 150 CA GLY A 10 12.010 -18.664 -15.248 1.00 0.00 C ATOM 151 C GLY A 10 10.802 -17.993 -15.791 1.00 0.00 C ATOM 152 O GLY A 10 10.831 -16.856 -16.255 1.00 0.00 O ATOM 0 H GLY A 10 12.567 -16.795 -14.545 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.711 -18.892 -16.051 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.740 -19.612 -14.782 1.00 0.00 H new ATOM 156 N VAL A 11 9.731 -18.754 -15.749 1.00 0.00 N ATOM 157 CA VAL A 11 8.534 -18.415 -16.450 1.00 0.00 C ATOM 158 C VAL A 11 7.340 -19.016 -15.716 1.00 0.00 C ATOM 159 O VAL A 11 7.433 -20.137 -15.215 1.00 0.00 O ATOM 160 CB VAL A 11 8.714 -19.003 -17.858 1.00 0.00 C ATOM 161 CG1 VAL A 11 7.385 -19.115 -18.483 1.00 0.00 C ATOM 162 CG2 VAL A 11 9.418 -18.104 -18.867 1.00 0.00 C ATOM 0 H VAL A 11 9.676 -19.626 -15.223 1.00 0.00 H new ATOM 0 HA VAL A 11 8.352 -17.342 -16.509 1.00 0.00 H new ATOM 0 HB VAL A 11 9.282 -19.917 -17.685 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.488 -19.531 -19.485 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.754 -19.770 -17.882 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.928 -18.127 -18.545 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.490 -18.619 -19.825 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.849 -17.183 -18.992 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.419 -17.866 -18.506 1.00 0.00 H new ATOM 172 N ILE A 12 6.210 -18.306 -15.701 1.00 0.00 N ATOM 173 CA ILE A 12 4.957 -18.801 -15.096 1.00 0.00 C ATOM 174 C ILE A 12 4.402 -20.063 -15.795 1.00 0.00 C ATOM 175 O ILE A 12 4.459 -20.185 -17.019 1.00 0.00 O ATOM 176 CB ILE A 12 3.912 -17.672 -15.131 1.00 0.00 C ATOM 177 CG1 ILE A 12 4.394 -16.329 -14.554 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.562 -18.042 -14.498 1.00 0.00 C ATOM 179 CD1 ILE A 12 4.661 -16.342 -13.052 1.00 0.00 C ATOM 0 H ILE A 12 6.131 -17.373 -16.105 1.00 0.00 H new ATOM 0 HA ILE A 12 5.177 -19.094 -14.069 1.00 0.00 H new ATOM 0 HB ILE A 12 3.762 -17.537 -16.202 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.308 -16.034 -15.070 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.646 -15.566 -14.770 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.884 -17.191 -14.564 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.132 -18.891 -15.029 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.711 -18.306 -13.451 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.996 -15.355 -12.733 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.745 -16.603 -12.522 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.433 -17.078 -12.826 1.00 0.00 H new ATOM 191 N VAL A 13 3.775 -20.953 -15.019 1.00 0.00 N ATOM 192 CA VAL A 13 3.202 -22.256 -15.434 1.00 0.00 C ATOM 193 C VAL A 13 1.741 -22.414 -15.003 1.00 0.00 C ATOM 194 O VAL A 13 0.950 -23.013 -15.732 1.00 0.00 O ATOM 195 CB VAL A 13 4.000 -23.426 -14.823 1.00 0.00 C ATOM 196 CG1 VAL A 13 3.523 -24.812 -15.284 1.00 0.00 C ATOM 197 CG2 VAL A 13 5.478 -23.344 -15.186 1.00 0.00 C ATOM 0 H VAL A 13 3.641 -20.781 -14.023 1.00 0.00 H new ATOM 0 HA VAL A 13 3.259 -22.275 -16.522 1.00 0.00 H new ATOM 0 HB VAL A 13 3.837 -23.323 -13.750 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.133 -25.582 -14.812 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.480 -24.951 -15.001 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.618 -24.888 -16.367 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.010 -24.184 -14.739 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.589 -23.380 -16.270 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.894 -22.409 -14.809 1.00 0.00 H new ATOM 207 N ASN A 14 1.364 -21.860 -13.844 1.00 0.00 N ATOM 208 CA ASN A 14 -0.015 -21.879 -13.349 1.00 0.00 C ATOM 209 C ASN A 14 -0.303 -20.654 -12.470 1.00 0.00 C ATOM 210 O ASN A 14 0.612 -20.035 -11.916 1.00 0.00 O ATOM 211 CB ASN A 14 -0.262 -23.184 -12.552 1.00 0.00 C ATOM 212 CG ASN A 14 -1.726 -23.601 -12.481 1.00 0.00 C ATOM 213 OD1 ASN A 14 -2.625 -22.943 -12.981 1.00 0.00 O ATOM 214 ND2 ASN A 14 -2.013 -24.708 -11.836 1.00 0.00 N ATOM 0 H ASN A 14 2.014 -21.382 -13.220 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.692 -21.843 -14.203 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.313 -23.990 -13.008 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.118 -23.056 -11.538 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.983 -25.014 -11.755 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.266 -25.262 -11.416 1.00 0.00 H new ATOM 221 N LYS A 15 -1.597 -20.362 -12.308 1.00 0.00 N ATOM 222 CA LYS A 15 -2.181 -19.252 -11.567 1.00 0.00 C ATOM 223 C LYS A 15 -3.206 -19.820 -10.589 1.00 0.00 C ATOM 224 O LYS A 15 -4.364 -20.062 -10.937 1.00 0.00 O ATOM 225 CB LYS A 15 -2.842 -18.267 -12.552 1.00 0.00 C ATOM 226 CG LYS A 15 -1.860 -17.618 -13.533 1.00 0.00 C ATOM 227 CD LYS A 15 -1.188 -16.344 -13.013 1.00 0.00 C ATOM 228 CE LYS A 15 -2.138 -15.143 -12.917 1.00 0.00 C ATOM 229 NZ LYS A 15 -2.712 -14.729 -14.228 1.00 0.00 N ATOM 0 H LYS A 15 -2.318 -20.948 -12.729 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.415 -18.710 -11.012 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.610 -18.794 -13.118 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.345 -17.484 -11.985 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.087 -18.343 -13.786 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.391 -17.383 -14.456 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.766 -16.542 -12.028 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.357 -16.088 -13.670 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.952 -15.388 -12.235 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.601 -14.300 -12.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.407 -13.970 -14.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.951 -14.384 -14.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.180 -15.543 -14.675 1.00 0.00 H new ATOM 243 N LEU A 16 -2.751 -20.068 -9.364 1.00 0.00 N ATOM 244 CA LEU A 16 -3.548 -20.690 -8.315 1.00 0.00 C ATOM 245 C LEU A 16 -4.610 -19.738 -7.764 1.00 0.00 C ATOM 246 O LEU A 16 -5.782 -20.091 -7.622 1.00 0.00 O ATOM 247 CB LEU A 16 -2.613 -21.120 -7.193 1.00 0.00 C ATOM 248 CG LEU A 16 -1.796 -22.392 -7.464 1.00 0.00 C ATOM 249 CD1 LEU A 16 -2.513 -23.480 -8.259 1.00 0.00 C ATOM 250 CD2 LEU A 16 -0.475 -22.097 -8.153 1.00 0.00 C ATOM 0 H LEU A 16 -1.802 -19.838 -9.069 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.070 -21.549 -8.737 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.922 -20.303 -6.986 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.204 -21.274 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.630 -22.782 -6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.846 -24.332 -8.393 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.404 -23.798 -7.718 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.801 -23.088 -9.234 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.064 -23.029 -8.322 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.664 -21.609 -9.109 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.125 -21.440 -7.523 1.00 0.00 H new ATOM 262 N PHE A 17 -4.172 -18.513 -7.486 1.00 0.00 N ATOM 263 CA PHE A 17 -5.008 -17.412 -7.000 1.00 0.00 C ATOM 264 C PHE A 17 -5.933 -16.865 -8.108 1.00 0.00 C ATOM 265 O PHE A 17 -5.948 -17.362 -9.242 1.00 0.00 O ATOM 266 CB PHE A 17 -4.105 -16.335 -6.384 1.00 0.00 C ATOM 267 CG PHE A 17 -3.668 -15.204 -7.301 1.00 0.00 C ATOM 268 CD1 PHE A 17 -2.663 -15.391 -8.269 1.00 0.00 C ATOM 269 CD2 PHE A 17 -4.298 -13.953 -7.191 1.00 0.00 C ATOM 270 CE1 PHE A 17 -2.346 -14.341 -9.141 1.00 0.00 C ATOM 271 CE2 PHE A 17 -3.926 -12.883 -8.016 1.00 0.00 C ATOM 272 CZ PHE A 17 -2.944 -13.078 -8.991 1.00 0.00 C ATOM 0 H PHE A 17 -3.193 -18.248 -7.596 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.679 -17.778 -6.223 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.627 -15.900 -5.532 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.211 -16.822 -5.995 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.142 -16.334 -8.339 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.081 -13.814 -6.460 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.634 -14.504 -9.937 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.394 -11.917 -7.899 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.645 -12.259 -9.628 1.00 0.00 H new ATOM 282 N LYS A 18 -6.686 -15.808 -7.786 1.00 0.00 N ATOM 283 CA LYS A 18 -7.545 -15.071 -8.730 1.00 0.00 C ATOM 284 C LYS A 18 -7.414 -13.561 -8.562 1.00 0.00 C ATOM 285 O LYS A 18 -7.455 -13.044 -7.445 1.00 0.00 O ATOM 286 CB LYS A 18 -9.005 -15.469 -8.546 1.00 0.00 C ATOM 287 CG LYS A 18 -9.299 -16.957 -8.751 1.00 0.00 C ATOM 288 CD LYS A 18 -9.152 -17.423 -10.213 1.00 0.00 C ATOM 289 CE LYS A 18 -9.069 -18.949 -10.362 1.00 0.00 C ATOM 290 NZ LYS A 18 -7.777 -19.491 -9.866 1.00 0.00 N ATOM 0 H LYS A 18 -6.719 -15.429 -6.840 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.212 -15.335 -9.734 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.319 -15.187 -7.541 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.614 -14.894 -9.244 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.626 -17.541 -8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.313 -17.168 -8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.000 -17.055 -10.791 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.256 -16.974 -10.641 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.890 -19.411 -9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.195 -19.218 -11.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.347 -20.090 -10.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.134 -18.705 -9.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.944 -20.058 -9.010 1.00 0.00 H new ATOM 304 N ALA A 19 -7.311 -12.860 -9.688 1.00 0.00 N ATOM 305 CA ALA A 19 -7.250 -11.405 -9.770 1.00 0.00 C ATOM 306 C ALA A 19 -8.506 -10.747 -9.173 1.00 0.00 C ATOM 307 O ALA A 19 -9.600 -10.825 -9.748 1.00 0.00 O ATOM 308 CB ALA A 19 -7.028 -11.025 -11.244 1.00 0.00 C ATOM 0 H ALA A 19 -7.266 -13.308 -10.603 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.420 -11.029 -9.172 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.978 -9.940 -11.337 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.094 -11.463 -11.596 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.855 -11.403 -11.846 1.00 0.00 H new ATOM 314 N GLY A 20 -8.350 -10.123 -8.004 1.00 0.00 N ATOM 315 CA GLY A 20 -9.404 -9.406 -7.284 1.00 0.00 C ATOM 316 C GLY A 20 -10.022 -10.161 -6.089 1.00 0.00 C ATOM 317 O GLY A 20 -10.773 -9.553 -5.321 1.00 0.00 O ATOM 0 H GLY A 20 -7.455 -10.102 -7.515 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.996 -8.462 -6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.200 -9.162 -7.988 1.00 0.00 H new ATOM 321 N ASP A 21 -9.747 -11.465 -5.925 1.00 0.00 N ATOM 322 CA ASP A 21 -10.274 -12.282 -4.820 1.00 0.00 C ATOM 323 C ASP A 21 -9.541 -12.049 -3.471 1.00 0.00 C ATOM 324 O ASP A 21 -8.863 -11.036 -3.278 1.00 0.00 O ATOM 325 CB ASP A 21 -10.253 -13.754 -5.275 1.00 0.00 C ATOM 326 CG ASP A 21 -11.442 -14.546 -4.701 1.00 0.00 C ATOM 327 OD1 ASP A 21 -11.340 -15.043 -3.553 1.00 0.00 O ATOM 328 OD2 ASP A 21 -12.493 -14.640 -5.380 1.00 0.00 O ATOM 0 H ASP A 21 -9.146 -11.987 -6.563 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.298 -11.978 -4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.278 -13.798 -6.364 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.319 -14.219 -4.958 1.00 0.00 H new ATOM 333 N LYS A 22 -9.672 -12.989 -2.524 1.00 0.00 N ATOM 334 CA LYS A 22 -8.971 -13.018 -1.232 1.00 0.00 C ATOM 335 C LYS A 22 -7.905 -14.118 -1.197 1.00 0.00 C ATOM 336 O LYS A 22 -7.857 -15.005 -2.053 1.00 0.00 O ATOM 337 CB LYS A 22 -9.968 -13.195 -0.072 1.00 0.00 C ATOM 338 CG LYS A 22 -11.163 -12.233 -0.068 1.00 0.00 C ATOM 339 CD LYS A 22 -10.781 -10.749 -0.155 1.00 0.00 C ATOM 340 CE LYS A 22 -12.039 -9.881 -0.031 1.00 0.00 C ATOM 341 NZ LYS A 22 -11.787 -8.493 -0.498 1.00 0.00 N ATOM 0 H LYS A 22 -10.298 -13.786 -2.643 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.466 -12.060 -1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.348 -14.216 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.428 -13.078 0.868 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.814 -12.478 -0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.741 -12.394 0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.076 -10.499 0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.281 -10.548 -1.102 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.847 -10.322 -0.615 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.370 -9.863 1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.446 -7.842 -0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.809 -8.222 -0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.930 -8.442 -1.527 1.00 0.00 H new ATOM 355 N VAL A 23 -7.076 -14.068 -0.159 1.00 0.00 N ATOM 356 CA VAL A 23 -5.987 -15.029 0.112 1.00 0.00 C ATOM 357 C VAL A 23 -5.913 -15.386 1.596 1.00 0.00 C ATOM 358 O VAL A 23 -6.076 -14.517 2.460 1.00 0.00 O ATOM 359 CB VAL A 23 -4.605 -14.500 -0.346 1.00 0.00 C ATOM 360 CG1 VAL A 23 -4.567 -14.252 -1.853 1.00 0.00 C ATOM 361 CG2 VAL A 23 -4.123 -13.208 0.329 1.00 0.00 C ATOM 0 H VAL A 23 -7.138 -13.335 0.548 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.226 -15.921 -0.467 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.934 -15.303 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.582 -13.882 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.770 -15.184 -2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.323 -13.513 -2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.146 -12.932 -0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.835 -12.407 0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.045 -13.367 1.405 1.00 0.00 H new ATOM 371 N LYS A 24 -5.634 -16.659 1.909 1.00 0.00 N ATOM 372 CA LYS A 24 -5.268 -17.116 3.258 1.00 0.00 C ATOM 373 C LYS A 24 -3.883 -16.609 3.664 1.00 0.00 C ATOM 374 O LYS A 24 -3.214 -15.926 2.888 1.00 0.00 O ATOM 375 CB LYS A 24 -5.356 -18.655 3.317 1.00 0.00 C ATOM 376 CG LYS A 24 -6.817 -19.117 3.375 1.00 0.00 C ATOM 377 CD LYS A 24 -7.343 -19.309 4.805 1.00 0.00 C ATOM 378 CE LYS A 24 -7.178 -18.122 5.775 1.00 0.00 C ATOM 379 NZ LYS A 24 -8.163 -17.041 5.495 1.00 0.00 N ATOM 0 H LYS A 24 -5.656 -17.412 1.222 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.972 -16.699 3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.869 -19.085 2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.820 -19.021 4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.442 -18.386 2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.914 -20.057 2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.403 -19.554 4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.840 -20.173 5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.301 -18.470 6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.167 -17.723 5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.795 -16.136 5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.320 -16.971 4.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.063 -17.260 5.969 1.00 0.00 H new ATOM 393 N LYS A 25 -3.447 -16.969 4.874 1.00 0.00 N ATOM 394 CA LYS A 25 -2.178 -16.589 5.532 1.00 0.00 C ATOM 395 C LYS A 25 -0.922 -17.191 4.860 1.00 0.00 C ATOM 396 O LYS A 25 -0.037 -17.709 5.537 1.00 0.00 O ATOM 397 CB LYS A 25 -2.218 -16.922 7.028 1.00 0.00 C ATOM 398 CG LYS A 25 -3.435 -16.367 7.788 1.00 0.00 C ATOM 399 CD LYS A 25 -3.163 -15.159 8.711 1.00 0.00 C ATOM 400 CE LYS A 25 -1.952 -15.332 9.633 1.00 0.00 C ATOM 401 NZ LYS A 25 -2.050 -14.499 10.858 1.00 0.00 N ATOM 0 H LYS A 25 -4.007 -17.579 5.470 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.088 -15.509 5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.200 -18.006 7.144 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.311 -16.537 7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.193 -16.079 7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.860 -17.170 8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.013 -14.272 8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.047 -14.977 9.322 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.861 -16.381 9.916 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.044 -15.069 9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.107 -14.139 11.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.691 -13.699 10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.421 -15.075 11.641 1.00 0.00 H new ATOM 415 N GLY A 26 -0.882 -17.205 3.528 1.00 0.00 N ATOM 416 CA GLY A 26 0.106 -17.912 2.721 1.00 0.00 C ATOM 417 C GLY A 26 -0.440 -18.911 1.707 1.00 0.00 C ATOM 418 O GLY A 26 0.245 -19.891 1.423 1.00 0.00 O ATOM 0 H GLY A 26 -1.566 -16.703 2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.703 -17.173 2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.781 -18.441 3.393 1.00 0.00 H new ATOM 422 N GLN A 27 -1.665 -18.728 1.186 1.00 0.00 N ATOM 423 CA GLN A 27 -2.112 -19.533 0.045 1.00 0.00 C ATOM 424 C GLN A 27 -1.104 -19.471 -1.121 1.00 0.00 C ATOM 425 O GLN A 27 -0.498 -18.433 -1.393 1.00 0.00 O ATOM 426 CB GLN A 27 -3.591 -19.284 -0.339 1.00 0.00 C ATOM 427 CG GLN A 27 -3.777 -18.761 -1.758 1.00 0.00 C ATOM 428 CD GLN A 27 -5.178 -18.319 -2.168 1.00 0.00 C ATOM 429 OE1 GLN A 27 -5.359 -17.465 -3.022 1.00 0.00 O ATOM 430 NE2 GLN A 27 -6.229 -18.895 -1.629 1.00 0.00 N ATOM 0 H GLN A 27 -2.345 -18.048 1.528 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.116 -20.577 0.359 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.147 -20.215 -0.229 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.023 -18.570 0.361 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.104 -17.915 -1.895 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.455 -19.540 -2.449 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.107 -19.612 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.167 -18.626 -1.926 1.00 0.00 H new ATOM 439 N THR A 28 -0.946 -20.589 -1.820 1.00 0.00 N ATOM 440 CA THR A 28 -0.193 -20.720 -3.076 1.00 0.00 C ATOM 441 C THR A 28 -0.835 -19.887 -4.188 1.00 0.00 C ATOM 442 O THR A 28 -2.051 -19.893 -4.378 1.00 0.00 O ATOM 443 CB THR A 28 -0.175 -22.202 -3.464 1.00 0.00 C ATOM 444 OG1 THR A 28 0.306 -22.975 -2.381 1.00 0.00 O ATOM 445 CG2 THR A 28 0.752 -22.493 -4.646 1.00 0.00 C ATOM 0 H THR A 28 -1.356 -21.473 -1.518 1.00 0.00 H new ATOM 0 HA THR A 28 0.823 -20.351 -2.937 1.00 0.00 H new ATOM 0 HB THR A 28 -1.200 -22.455 -3.734 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.314 -23.922 -2.633 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.724 -23.558 -4.876 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.422 -21.925 -5.516 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.771 -22.204 -4.389 1.00 0.00 H new ATOM 453 N LEU A 29 -0.001 -19.175 -4.937 1.00 0.00 N ATOM 454 CA LEU A 29 -0.380 -18.139 -5.897 1.00 0.00 C ATOM 455 C LEU A 29 0.066 -18.467 -7.331 1.00 0.00 C ATOM 456 O LEU A 29 -0.730 -18.344 -8.260 1.00 0.00 O ATOM 457 CB LEU A 29 0.237 -16.815 -5.454 1.00 0.00 C ATOM 458 CG LEU A 29 -0.119 -16.300 -4.053 1.00 0.00 C ATOM 459 CD1 LEU A 29 0.298 -14.837 -4.019 1.00 0.00 C ATOM 460 CD2 LEU A 29 -1.587 -16.371 -3.648 1.00 0.00 C ATOM 0 H LEU A 29 1.009 -19.310 -4.891 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.468 -18.077 -5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.321 -16.914 -5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.052 -16.051 -6.176 1.00 0.00 H new ATOM 0 HG LEU A 29 0.396 -16.953 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.067 -14.416 -3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.369 -14.760 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.244 -14.286 -4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.705 -15.978 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.185 -15.778 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.922 -17.408 -3.675 1.00 0.00 H new ATOM 472 N PHE A 30 1.302 -18.942 -7.508 1.00 0.00 N ATOM 473 CA PHE A 30 1.874 -19.264 -8.832 1.00 0.00 C ATOM 474 C PHE A 30 2.748 -20.516 -8.829 1.00 0.00 C ATOM 475 O PHE A 30 3.193 -20.993 -7.784 1.00 0.00 O ATOM 476 CB PHE A 30 2.697 -18.090 -9.415 1.00 0.00 C ATOM 477 CG PHE A 30 2.118 -16.700 -9.286 1.00 0.00 C ATOM 478 CD1 PHE A 30 2.212 -15.971 -8.081 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.486 -16.127 -10.401 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.590 -14.712 -7.947 1.00 0.00 C ATOM 481 CE2 PHE A 30 0.883 -14.868 -10.284 1.00 0.00 C ATOM 482 CZ PHE A 30 0.882 -14.192 -9.053 1.00 0.00 C ATOM 0 H PHE A 30 1.944 -19.118 -6.735 1.00 0.00 H new ATOM 0 HA PHE A 30 1.006 -19.453 -9.463 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.675 -18.093 -8.933 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.863 -18.288 -10.474 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.767 -16.382 -7.251 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.465 -16.654 -11.344 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.654 -14.159 -7.021 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.416 -14.414 -11.146 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.335 -13.266 -8.951 1.00 0.00 H new ATOM 492 N ILE A 31 3.042 -20.986 -10.040 1.00 0.00 N ATOM 493 CA ILE A 31 4.006 -22.055 -10.341 1.00 0.00 C ATOM 494 C ILE A 31 4.930 -21.522 -11.435 1.00 0.00 C ATOM 495 O ILE A 31 4.464 -20.837 -12.341 1.00 0.00 O ATOM 496 CB ILE A 31 3.292 -23.341 -10.790 1.00 0.00 C ATOM 497 CG1 ILE A 31 2.277 -23.742 -9.705 1.00 0.00 C ATOM 498 CG2 ILE A 31 4.291 -24.493 -11.078 1.00 0.00 C ATOM 499 CD1 ILE A 31 1.509 -25.028 -9.983 1.00 0.00 C ATOM 0 H ILE A 31 2.596 -20.618 -10.880 1.00 0.00 H new ATOM 0 HA ILE A 31 4.577 -22.320 -9.451 1.00 0.00 H new ATOM 0 HB ILE A 31 2.773 -23.148 -11.729 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.805 -23.850 -8.757 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.561 -22.929 -9.580 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.742 -25.381 -11.392 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.976 -24.191 -11.870 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.858 -24.718 -10.174 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.820 -25.225 -9.162 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.947 -24.923 -10.911 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.210 -25.858 -10.075 1.00 0.00 H new ATOM 511 N ILE A 32 6.214 -21.849 -11.359 1.00 0.00 N ATOM 512 CA ILE A 32 7.257 -21.473 -12.310 1.00 0.00 C ATOM 513 C ILE A 32 8.025 -22.683 -12.784 1.00 0.00 C ATOM 514 O ILE A 32 8.205 -23.626 -12.031 1.00 0.00 O ATOM 515 CB ILE A 32 8.209 -20.450 -11.640 1.00 0.00 C ATOM 516 CG1 ILE A 32 7.467 -19.112 -11.559 1.00 0.00 C ATOM 517 CG2 ILE A 32 9.572 -20.272 -12.348 1.00 0.00 C ATOM 518 CD1 ILE A 32 8.269 -18.051 -10.817 1.00 0.00 C ATOM 0 H ILE A 32 6.577 -22.414 -10.591 1.00 0.00 H new ATOM 0 HA ILE A 32 6.792 -21.019 -13.185 1.00 0.00 H new ATOM 0 HB ILE A 32 8.465 -20.837 -10.654 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.247 -18.759 -12.567 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.511 -19.259 -11.057 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.169 -19.538 -11.808 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.099 -21.226 -12.367 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.409 -19.927 -13.369 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.701 -17.121 -10.786 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.467 -18.389 -9.800 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.214 -17.882 -11.333 1.00 0.00 H new ATOM 530 N GLU A 33 8.533 -22.604 -14.012 1.00 0.00 N ATOM 531 CA GLU A 33 9.498 -23.536 -14.582 1.00 0.00 C ATOM 532 C GLU A 33 10.835 -22.813 -14.745 1.00 0.00 C ATOM 533 O GLU A 33 10.875 -21.726 -15.323 1.00 0.00 O ATOM 534 CB GLU A 33 8.971 -24.050 -15.930 1.00 0.00 C ATOM 535 CG GLU A 33 9.544 -25.422 -16.241 1.00 0.00 C ATOM 536 CD GLU A 33 8.812 -26.065 -17.436 1.00 0.00 C ATOM 537 OE1 GLU A 33 7.682 -26.580 -17.254 1.00 0.00 O ATOM 538 OE2 GLU A 33 9.360 -26.040 -18.566 1.00 0.00 O ATOM 0 H GLU A 33 8.273 -21.861 -14.660 1.00 0.00 H new ATOM 0 HA GLU A 33 9.642 -24.395 -13.927 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.883 -24.102 -15.905 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.239 -23.350 -16.722 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.607 -25.334 -16.465 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.454 -26.065 -15.366 1.00 0.00 H new ATOM 545 N GLN A 34 11.914 -23.407 -14.234 1.00 0.00 N ATOM 546 CA GLN A 34 13.276 -22.843 -14.160 1.00 0.00 C ATOM 547 C GLN A 34 14.008 -22.730 -15.526 1.00 0.00 C ATOM 548 O GLN A 34 15.236 -22.776 -15.600 1.00 0.00 O ATOM 549 CB GLN A 34 14.060 -23.646 -13.100 1.00 0.00 C ATOM 550 CG GLN A 34 13.598 -23.301 -11.670 1.00 0.00 C ATOM 551 CD GLN A 34 14.482 -23.919 -10.583 1.00 0.00 C ATOM 552 OE1 GLN A 34 15.660 -24.211 -10.765 1.00 0.00 O ATOM 553 NE2 GLN A 34 13.968 -24.138 -9.396 1.00 0.00 N ATOM 0 H GLN A 34 11.866 -24.345 -13.837 1.00 0.00 H new ATOM 0 HA GLN A 34 13.205 -21.799 -13.855 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.926 -24.713 -13.279 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.125 -23.437 -13.199 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.590 -22.218 -11.550 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.573 -23.645 -11.534 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.992 -23.906 -9.212 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.545 -24.540 -8.657 1.00 0.00 H new ATOM 562 N ASP A 35 13.238 -22.562 -16.608 1.00 0.00 N ATOM 563 CA ASP A 35 13.598 -22.309 -18.013 1.00 0.00 C ATOM 564 C ASP A 35 14.857 -23.034 -18.537 1.00 0.00 C ATOM 565 O ASP A 35 14.727 -24.113 -19.120 1.00 0.00 O ATOM 566 CB ASP A 35 13.635 -20.785 -18.228 1.00 0.00 C ATOM 567 CG ASP A 35 14.035 -20.384 -19.654 1.00 0.00 C ATOM 568 OD1 ASP A 35 13.463 -20.927 -20.624 1.00 0.00 O ATOM 569 OD2 ASP A 35 14.912 -19.501 -19.790 1.00 0.00 O ATOM 0 H ASP A 35 12.224 -22.605 -16.509 1.00 0.00 H new ATOM 0 HA ASP A 35 12.824 -22.763 -18.632 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.653 -20.369 -18.003 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.338 -20.342 -17.523 1.00 0.00 H new ATOM 574 N GLN A 36 16.061 -22.473 -18.345 1.00 0.00 N ATOM 575 CA GLN A 36 17.325 -23.046 -18.835 1.00 0.00 C ATOM 576 C GLN A 36 18.452 -23.113 -17.798 1.00 0.00 C ATOM 577 O GLN A 36 19.577 -23.467 -18.148 1.00 0.00 O ATOM 578 CB GLN A 36 17.749 -22.363 -20.150 1.00 0.00 C ATOM 579 CG GLN A 36 18.299 -20.932 -19.974 1.00 0.00 C ATOM 580 CD GLN A 36 19.725 -20.772 -20.508 1.00 0.00 C ATOM 581 OE1 GLN A 36 19.989 -20.042 -21.454 1.00 0.00 O ATOM 582 NE2 GLN A 36 20.698 -21.466 -19.946 1.00 0.00 N ATOM 0 H GLN A 36 16.186 -21.597 -17.838 1.00 0.00 H new ATOM 0 HA GLN A 36 17.123 -24.097 -19.043 1.00 0.00 H new ATOM 0 HB2 GLN A 36 18.510 -22.975 -20.635 1.00 0.00 H new ATOM 0 HB3 GLN A 36 16.891 -22.330 -20.822 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.643 -20.230 -20.489 1.00 0.00 H new ATOM 0 HG3 GLN A 36 18.281 -20.669 -18.916 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.497 -22.080 -19.156 1.00 0.00 H new ATOM 0 HE22 GLN A 36 21.651 -21.388 -20.301 1.00 0.00 H new ATOM 591 N ALA A 37 18.178 -22.816 -16.526 1.00 0.00 N ATOM 592 CA ALA A 37 19.111 -23.089 -15.431 1.00 0.00 C ATOM 593 C ALA A 37 19.303 -24.610 -15.258 1.00 0.00 C ATOM 594 O ALA A 37 20.417 -25.119 -15.127 1.00 0.00 O ATOM 595 CB ALA A 37 18.520 -22.487 -14.152 1.00 0.00 C ATOM 0 H ALA A 37 17.306 -22.381 -16.227 1.00 0.00 H new ATOM 0 HA ALA A 37 20.084 -22.649 -15.647 1.00 0.00 H new ATOM 0 HB1 ALA A 37 19.194 -22.675 -13.316 1.00 0.00 H new ATOM 0 HB2 ALA A 37 18.392 -21.412 -14.281 1.00 0.00 H new ATOM 0 HB3 ALA A 37 17.552 -22.945 -13.948 1.00 0.00 H new ATOM 601 N SER A 38 18.187 -25.331 -15.325 1.00 0.00 N ATOM 602 CA SER A 38 18.075 -26.791 -15.210 1.00 0.00 C ATOM 603 C SER A 38 18.433 -27.553 -16.485 1.00 0.00 C ATOM 604 O SER A 38 18.362 -28.779 -16.482 1.00 0.00 O ATOM 605 CB SER A 38 16.657 -27.161 -14.765 1.00 0.00 C ATOM 606 OG SER A 38 16.269 -26.383 -13.646 1.00 0.00 O ATOM 0 H SER A 38 17.279 -24.889 -15.470 1.00 0.00 H new ATOM 0 HA SER A 38 18.811 -27.095 -14.466 1.00 0.00 H new ATOM 0 HB2 SER A 38 15.958 -27.001 -15.586 1.00 0.00 H new ATOM 0 HB3 SER A 38 16.614 -28.220 -14.511 1.00 0.00 H new ATOM 0 HG SER A 38 15.916 -26.971 -12.945 1.00 0.00 H new ATOM 612 N LYS A 39 18.767 -26.881 -17.594 1.00 0.00 N ATOM 613 CA LYS A 39 18.934 -27.510 -18.916 1.00 0.00 C ATOM 614 C LYS A 39 19.924 -28.684 -18.947 1.00 0.00 C ATOM 615 O LYS A 39 19.654 -29.696 -19.589 1.00 0.00 O ATOM 616 CB LYS A 39 19.277 -26.404 -19.934 1.00 0.00 C ATOM 617 CG LYS A 39 19.386 -26.903 -21.381 1.00 0.00 C ATOM 618 CD LYS A 39 19.420 -25.763 -22.413 1.00 0.00 C ATOM 619 CE LYS A 39 20.520 -24.733 -22.118 1.00 0.00 C ATOM 620 NZ LYS A 39 20.686 -23.763 -23.237 1.00 0.00 N ATOM 0 H LYS A 39 18.931 -25.874 -17.602 1.00 0.00 H new ATOM 0 HA LYS A 39 17.991 -27.985 -19.187 1.00 0.00 H new ATOM 0 HB2 LYS A 39 18.513 -25.628 -19.884 1.00 0.00 H new ATOM 0 HB3 LYS A 39 20.221 -25.940 -19.648 1.00 0.00 H new ATOM 0 HG2 LYS A 39 20.289 -27.505 -21.484 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.541 -27.556 -21.598 1.00 0.00 H new ATOM 0 HD2 LYS A 39 19.577 -26.182 -23.407 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.452 -25.262 -22.427 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.276 -24.193 -21.203 1.00 0.00 H new ATOM 0 HE3 LYS A 39 21.464 -25.250 -21.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 21.438 -23.084 -23.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.943 -24.275 -24.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.793 -23.252 -23.389 1.00 0.00 H new ATOM 634 N ASP A 40 21.033 -28.579 -18.214 1.00 0.00 N ATOM 635 CA ASP A 40 22.023 -29.659 -18.043 1.00 0.00 C ATOM 636 C ASP A 40 21.562 -30.771 -17.076 1.00 0.00 C ATOM 637 O ASP A 40 22.017 -31.911 -17.159 1.00 0.00 O ATOM 638 CB ASP A 40 23.314 -29.035 -17.494 1.00 0.00 C ATOM 639 CG ASP A 40 24.484 -30.033 -17.488 1.00 0.00 C ATOM 640 OD1 ASP A 40 24.940 -30.438 -18.585 1.00 0.00 O ATOM 641 OD2 ASP A 40 24.970 -30.388 -16.389 1.00 0.00 O ATOM 0 H ASP A 40 21.279 -27.727 -17.710 1.00 0.00 H new ATOM 0 HA ASP A 40 22.168 -30.128 -19.016 1.00 0.00 H new ATOM 0 HB2 ASP A 40 23.582 -28.168 -18.097 1.00 0.00 H new ATOM 0 HB3 ASP A 40 23.139 -28.676 -16.480 1.00 0.00 H new ATOM 646 N PHE A 41 20.650 -30.441 -16.157 1.00 0.00 N ATOM 647 CA PHE A 41 20.237 -31.272 -15.015 1.00 0.00 C ATOM 648 C PHE A 41 18.931 -32.062 -15.263 1.00 0.00 C ATOM 649 O PHE A 41 18.701 -33.125 -14.687 1.00 0.00 O ATOM 650 CB PHE A 41 20.097 -30.331 -13.801 1.00 0.00 C ATOM 651 CG PHE A 41 20.319 -31.019 -12.470 1.00 0.00 C ATOM 652 CD1 PHE A 41 21.634 -31.271 -12.039 1.00 0.00 C ATOM 653 CD2 PHE A 41 19.229 -31.398 -11.662 1.00 0.00 C ATOM 654 CE1 PHE A 41 21.864 -31.912 -10.808 1.00 0.00 C ATOM 655 CE2 PHE A 41 19.457 -32.029 -10.426 1.00 0.00 C ATOM 656 CZ PHE A 41 20.773 -32.288 -10.002 1.00 0.00 C ATOM 0 H PHE A 41 20.156 -29.549 -16.187 1.00 0.00 H new ATOM 0 HA PHE A 41 20.993 -32.038 -14.843 1.00 0.00 H new ATOM 0 HB2 PHE A 41 20.811 -29.514 -13.901 1.00 0.00 H new ATOM 0 HB3 PHE A 41 19.102 -29.887 -13.809 1.00 0.00 H new ATOM 0 HD1 PHE A 41 22.469 -30.972 -12.655 1.00 0.00 H new ATOM 0 HD2 PHE A 41 18.219 -31.204 -11.992 1.00 0.00 H new ATOM 0 HE1 PHE A 41 22.874 -32.115 -10.483 1.00 0.00 H new ATOM 0 HE2 PHE A 41 18.622 -32.314 -9.803 1.00 0.00 H new ATOM 0 HZ PHE A 41 20.947 -32.777 -9.055 1.00 0.00 H new ATOM 666 N ASN A 42 18.084 -31.551 -16.153 1.00 0.00 N ATOM 667 CA ASN A 42 16.781 -32.097 -16.534 1.00 0.00 C ATOM 668 C ASN A 42 16.843 -33.448 -17.252 1.00 0.00 C ATOM 669 O ASN A 42 16.021 -34.330 -17.002 1.00 0.00 O ATOM 670 CB ASN A 42 16.151 -31.075 -17.497 1.00 0.00 C ATOM 671 CG ASN A 42 14.839 -31.539 -18.108 1.00 0.00 C ATOM 672 OD1 ASN A 42 14.801 -32.022 -19.231 1.00 0.00 O ATOM 673 ND2 ASN A 42 13.745 -31.390 -17.407 1.00 0.00 N ATOM 0 H ASN A 42 18.301 -30.692 -16.659 1.00 0.00 H new ATOM 0 HA ASN A 42 16.210 -32.266 -15.621 1.00 0.00 H new ATOM 0 HB2 ASN A 42 15.982 -30.141 -16.961 1.00 0.00 H new ATOM 0 HB3 ASN A 42 16.858 -30.860 -18.298 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.847 -31.678 -17.796 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.790 -30.986 -16.472 1.00 0.00 H new ATOM 680 N ARG A 43 17.799 -33.589 -18.173 1.00 0.00 N ATOM 681 CA ARG A 43 17.781 -34.668 -19.165 1.00 0.00 C ATOM 682 C ARG A 43 17.806 -36.085 -18.589 1.00 0.00 C ATOM 683 O ARG A 43 17.016 -36.919 -19.029 1.00 0.00 O ATOM 684 CB ARG A 43 18.898 -34.462 -20.209 1.00 0.00 C ATOM 685 CG ARG A 43 18.898 -33.080 -20.886 1.00 0.00 C ATOM 686 CD ARG A 43 17.545 -32.711 -21.512 1.00 0.00 C ATOM 687 NE ARG A 43 17.616 -31.426 -22.233 1.00 0.00 N ATOM 688 CZ ARG A 43 16.724 -30.449 -22.242 1.00 0.00 C ATOM 689 NH1 ARG A 43 15.632 -30.478 -21.533 1.00 0.00 N ATOM 690 NH2 ARG A 43 16.922 -29.405 -22.993 1.00 0.00 N ATOM 0 H ARG A 43 18.601 -32.964 -18.253 1.00 0.00 H new ATOM 0 HA ARG A 43 16.808 -34.595 -19.652 1.00 0.00 H new ATOM 0 HB2 ARG A 43 19.862 -34.614 -19.724 1.00 0.00 H new ATOM 0 HB3 ARG A 43 18.804 -35.228 -20.978 1.00 0.00 H new ATOM 0 HG2 ARG A 43 19.169 -32.323 -20.150 1.00 0.00 H new ATOM 0 HG3 ARG A 43 19.666 -33.062 -21.660 1.00 0.00 H new ATOM 0 HD2 ARG A 43 17.234 -33.498 -22.199 1.00 0.00 H new ATOM 0 HD3 ARG A 43 16.786 -32.650 -20.732 1.00 0.00 H new ATOM 0 HE ARG A 43 18.455 -31.272 -22.793 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.433 -31.280 -20.935 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.976 -29.698 -21.575 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.761 -29.344 -23.570 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.238 -28.648 -23.005 1.00 0.00 H new ATOM 704 N SER A 44 18.647 -36.355 -17.591 1.00 0.00 N ATOM 705 CA SER A 44 18.774 -37.692 -16.981 1.00 0.00 C ATOM 706 C SER A 44 17.453 -38.199 -16.381 1.00 0.00 C ATOM 707 O SER A 44 16.989 -39.291 -16.724 1.00 0.00 O ATOM 708 CB SER A 44 19.883 -37.673 -15.924 1.00 0.00 C ATOM 709 OG SER A 44 19.622 -36.687 -14.934 1.00 0.00 O ATOM 0 H SER A 44 19.264 -35.656 -17.177 1.00 0.00 H new ATOM 0 HA SER A 44 19.038 -38.392 -17.774 1.00 0.00 H new ATOM 0 HB2 SER A 44 19.961 -38.654 -15.455 1.00 0.00 H new ATOM 0 HB3 SER A 44 20.842 -37.471 -16.401 1.00 0.00 H new ATOM 0 HG SER A 44 20.341 -36.693 -14.268 1.00 0.00 H new ATOM 715 N LYS A 45 16.793 -37.377 -15.553 1.00 0.00 N ATOM 716 CA LYS A 45 15.467 -37.679 -14.980 1.00 0.00 C ATOM 717 C LYS A 45 14.343 -37.685 -16.021 1.00 0.00 C ATOM 718 O LYS A 45 13.460 -38.533 -15.926 1.00 0.00 O ATOM 719 CB LYS A 45 15.166 -36.772 -13.770 1.00 0.00 C ATOM 720 CG LYS A 45 15.118 -35.273 -14.097 1.00 0.00 C ATOM 721 CD LYS A 45 14.708 -34.437 -12.880 1.00 0.00 C ATOM 722 CE LYS A 45 14.803 -32.955 -13.238 1.00 0.00 C ATOM 723 NZ LYS A 45 14.283 -32.103 -12.148 1.00 0.00 N ATOM 0 H LYS A 45 17.165 -36.475 -15.257 1.00 0.00 H new ATOM 0 HA LYS A 45 15.506 -38.704 -14.612 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.210 -37.068 -13.339 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.926 -36.941 -13.007 1.00 0.00 H new ATOM 0 HG2 LYS A 45 16.097 -34.946 -14.449 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.413 -35.101 -14.910 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.691 -34.687 -12.578 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.357 -34.662 -12.033 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.841 -32.694 -13.442 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.241 -32.763 -14.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.600 -31.123 -12.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.243 -32.134 -12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.639 -32.452 -11.235 1.00 0.00 H new ATOM 737 N ALA A 46 14.399 -36.814 -17.032 1.00 0.00 N ATOM 738 CA ALA A 46 13.424 -36.781 -18.130 1.00 0.00 C ATOM 739 C ALA A 46 13.441 -38.061 -18.989 1.00 0.00 C ATOM 740 O ALA A 46 12.383 -38.555 -19.380 1.00 0.00 O ATOM 741 CB ALA A 46 13.670 -35.530 -18.985 1.00 0.00 C ATOM 0 H ALA A 46 15.128 -36.105 -17.114 1.00 0.00 H new ATOM 0 HA ALA A 46 12.427 -36.736 -17.692 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.949 -35.500 -19.802 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.556 -34.639 -18.368 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.680 -35.561 -19.394 1.00 0.00 H new ATOM 747 N LEU A 47 14.629 -38.633 -19.229 1.00 0.00 N ATOM 748 CA LEU A 47 14.793 -39.962 -19.827 1.00 0.00 C ATOM 749 C LEU A 47 14.325 -41.076 -18.909 1.00 0.00 C ATOM 750 O LEU A 47 13.469 -41.871 -19.309 1.00 0.00 O ATOM 751 CB LEU A 47 16.271 -40.214 -20.203 1.00 0.00 C ATOM 752 CG LEU A 47 16.830 -39.368 -21.356 1.00 0.00 C ATOM 753 CD1 LEU A 47 18.304 -39.720 -21.569 1.00 0.00 C ATOM 754 CD2 LEU A 47 16.073 -39.582 -22.669 1.00 0.00 C ATOM 0 H LEU A 47 15.515 -38.178 -19.009 1.00 0.00 H new ATOM 0 HA LEU A 47 14.170 -39.973 -20.721 1.00 0.00 H new ATOM 0 HB2 LEU A 47 16.884 -40.037 -19.319 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.384 -41.266 -20.464 1.00 0.00 H new ATOM 0 HG LEU A 47 16.711 -38.321 -21.076 1.00 0.00 H new ATOM 0 HD11 LEU A 47 18.706 -39.122 -22.387 1.00 0.00 H new ATOM 0 HD12 LEU A 47 18.863 -39.511 -20.657 1.00 0.00 H new ATOM 0 HD13 LEU A 47 18.394 -40.778 -21.815 1.00 0.00 H new ATOM 0 HD21 LEU A 47 16.512 -38.959 -23.448 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.141 -40.630 -22.962 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.026 -39.310 -22.534 1.00 0.00 H new ATOM 766 N PHE A 48 14.887 -41.150 -17.700 1.00 0.00 N ATOM 767 CA PHE A 48 14.754 -42.385 -16.932 1.00 0.00 C ATOM 768 C PHE A 48 15.095 -42.310 -15.433 1.00 0.00 C ATOM 769 O PHE A 48 14.467 -43.014 -14.635 1.00 0.00 O ATOM 770 CB PHE A 48 15.620 -43.416 -17.708 1.00 0.00 C ATOM 771 CG PHE A 48 16.785 -44.020 -16.957 1.00 0.00 C ATOM 772 CD1 PHE A 48 18.018 -43.337 -16.966 1.00 0.00 C ATOM 773 CD2 PHE A 48 16.646 -45.217 -16.231 1.00 0.00 C ATOM 774 CE1 PHE A 48 19.104 -43.852 -16.240 1.00 0.00 C ATOM 775 CE2 PHE A 48 17.740 -45.731 -15.510 1.00 0.00 C ATOM 776 CZ PHE A 48 18.965 -45.045 -15.508 1.00 0.00 C ATOM 0 H PHE A 48 15.416 -40.404 -17.249 1.00 0.00 H new ATOM 0 HA PHE A 48 13.702 -42.664 -16.870 1.00 0.00 H new ATOM 0 HB2 PHE A 48 14.971 -44.226 -18.039 1.00 0.00 H new ATOM 0 HB3 PHE A 48 16.007 -42.931 -18.604 1.00 0.00 H new ATOM 0 HD1 PHE A 48 18.127 -42.422 -17.529 1.00 0.00 H new ATOM 0 HD2 PHE A 48 15.701 -45.741 -16.227 1.00 0.00 H new ATOM 0 HE1 PHE A 48 20.050 -43.330 -16.244 1.00 0.00 H new ATOM 0 HE2 PHE A 48 17.637 -46.654 -14.958 1.00 0.00 H new ATOM 0 HZ PHE A 48 19.800 -45.433 -14.944 1.00 0.00 H new ATOM 786 N SER A 49 16.033 -41.452 -15.014 1.00 0.00 N ATOM 787 CA SER A 49 16.551 -41.413 -13.630 1.00 0.00 C ATOM 788 C SER A 49 15.501 -41.092 -12.560 1.00 0.00 C ATOM 789 O SER A 49 15.681 -41.444 -11.392 1.00 0.00 O ATOM 790 CB SER A 49 17.726 -40.437 -13.505 1.00 0.00 C ATOM 791 OG SER A 49 18.751 -40.795 -14.417 1.00 0.00 O ATOM 0 H SER A 49 16.461 -40.758 -15.626 1.00 0.00 H new ATOM 0 HA SER A 49 16.885 -42.432 -13.435 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.388 -39.420 -13.705 1.00 0.00 H new ATOM 0 HB3 SER A 49 18.113 -40.449 -12.486 1.00 0.00 H new ATOM 0 HG SER A 49 18.583 -41.698 -14.760 1.00 0.00 H new ATOM 797 N GLN A 50 14.365 -40.501 -12.953 1.00 0.00 N ATOM 798 CA GLN A 50 13.208 -40.224 -12.090 1.00 0.00 C ATOM 799 C GLN A 50 12.722 -41.423 -11.266 1.00 0.00 C ATOM 800 O GLN A 50 12.166 -41.246 -10.183 1.00 0.00 O ATOM 801 CB GLN A 50 12.042 -39.708 -12.946 1.00 0.00 C ATOM 802 CG GLN A 50 11.529 -40.679 -14.031 1.00 0.00 C ATOM 803 CD GLN A 50 10.398 -40.065 -14.854 1.00 0.00 C ATOM 804 OE1 GLN A 50 9.227 -40.343 -14.645 1.00 0.00 O ATOM 805 NE2 GLN A 50 10.709 -39.224 -15.821 1.00 0.00 N ATOM 0 H GLN A 50 14.221 -40.192 -13.914 1.00 0.00 H new ATOM 0 HA GLN A 50 13.549 -39.476 -11.374 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.212 -39.459 -12.285 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.352 -38.782 -13.430 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.352 -40.953 -14.692 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.179 -41.598 -13.560 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.686 -38.989 -15.998 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.973 -38.808 -16.391 1.00 0.00 H new ATOM 814 N SER A 51 12.917 -42.641 -11.781 1.00 0.00 N ATOM 815 CA SER A 51 12.385 -43.859 -11.174 1.00 0.00 C ATOM 816 C SER A 51 13.195 -44.334 -9.950 1.00 0.00 C ATOM 817 O SER A 51 12.695 -45.104 -9.123 1.00 0.00 O ATOM 818 CB SER A 51 12.345 -44.956 -12.245 1.00 0.00 C ATOM 819 OG SER A 51 11.539 -46.050 -11.837 1.00 0.00 O ATOM 0 H SER A 51 13.451 -42.807 -12.634 1.00 0.00 H new ATOM 0 HA SER A 51 11.384 -43.639 -10.803 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.956 -44.543 -13.176 1.00 0.00 H new ATOM 0 HB3 SER A 51 13.357 -45.304 -12.449 1.00 0.00 H new ATOM 0 HG SER A 51 11.532 -46.732 -12.541 1.00 0.00 H new ATOM 825 N ALA A 52 14.452 -43.885 -9.811 1.00 0.00 N ATOM 826 CA ALA A 52 15.380 -44.352 -8.774 1.00 0.00 C ATOM 827 C ALA A 52 15.197 -43.643 -7.409 1.00 0.00 C ATOM 828 O ALA A 52 14.298 -42.817 -7.227 1.00 0.00 O ATOM 829 CB ALA A 52 16.798 -44.137 -9.333 1.00 0.00 C ATOM 0 H ALA A 52 14.856 -43.178 -10.425 1.00 0.00 H new ATOM 0 HA ALA A 52 15.184 -45.402 -8.558 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.533 -44.469 -8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.918 -44.711 -10.252 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.949 -43.078 -9.544 1.00 0.00 H new ATOM 835 N ILE A 53 16.111 -43.919 -6.469 1.00 0.00 N ATOM 836 CA ILE A 53 16.105 -43.419 -5.077 1.00 0.00 C ATOM 837 C ILE A 53 17.420 -42.689 -4.725 1.00 0.00 C ATOM 838 O ILE A 53 17.453 -41.895 -3.787 1.00 0.00 O ATOM 839 CB ILE A 53 15.814 -44.599 -4.107 1.00 0.00 C ATOM 840 CG1 ILE A 53 14.490 -45.346 -4.411 1.00 0.00 C ATOM 841 CG2 ILE A 53 15.824 -44.173 -2.624 1.00 0.00 C ATOM 842 CD1 ILE A 53 13.201 -44.525 -4.232 1.00 0.00 C ATOM 0 H ILE A 53 16.911 -44.522 -6.660 1.00 0.00 H new ATOM 0 HA ILE A 53 15.312 -42.678 -4.971 1.00 0.00 H new ATOM 0 HB ILE A 53 16.639 -45.290 -4.283 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.527 -45.709 -5.438 1.00 0.00 H new ATOM 0 HG13 ILE A 53 14.433 -46.222 -3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.615 -45.039 -1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.803 -43.767 -2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.061 -43.412 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.338 -45.146 -4.471 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.127 -44.184 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.223 -43.663 -4.898 1.00 0.00 H new ATOM 854 N SER A 54 18.500 -42.911 -5.488 1.00 0.00 N ATOM 855 CA SER A 54 19.809 -42.259 -5.312 1.00 0.00 C ATOM 856 C SER A 54 19.712 -40.728 -5.382 1.00 0.00 C ATOM 857 O SER A 54 19.071 -40.176 -6.274 1.00 0.00 O ATOM 858 CB SER A 54 20.784 -42.779 -6.365 1.00 0.00 C ATOM 859 OG SER A 54 20.923 -44.186 -6.255 1.00 0.00 O ATOM 0 H SER A 54 18.488 -43.568 -6.268 1.00 0.00 H new ATOM 0 HA SER A 54 20.174 -42.508 -4.316 1.00 0.00 H new ATOM 0 HB2 SER A 54 20.427 -42.519 -7.361 1.00 0.00 H new ATOM 0 HB3 SER A 54 21.755 -42.300 -6.240 1.00 0.00 H new ATOM 0 HG SER A 54 21.549 -44.507 -6.937 1.00 0.00 H new ATOM 865 N GLN A 55 20.387 -40.043 -4.457 1.00 0.00 N ATOM 866 CA GLN A 55 20.258 -38.598 -4.175 1.00 0.00 C ATOM 867 C GLN A 55 20.559 -37.619 -5.324 1.00 0.00 C ATOM 868 O GLN A 55 20.408 -36.406 -5.160 1.00 0.00 O ATOM 869 CB GLN A 55 21.093 -38.210 -2.947 1.00 0.00 C ATOM 870 CG GLN A 55 20.739 -39.056 -1.725 1.00 0.00 C ATOM 871 CD GLN A 55 21.331 -38.477 -0.439 1.00 0.00 C ATOM 872 OE1 GLN A 55 20.752 -37.624 0.220 1.00 0.00 O ATOM 873 NE2 GLN A 55 22.508 -38.914 -0.034 1.00 0.00 N ATOM 0 H GLN A 55 21.072 -40.495 -3.852 1.00 0.00 H new ATOM 0 HA GLN A 55 19.189 -38.483 -3.998 1.00 0.00 H new ATOM 0 HB2 GLN A 55 22.152 -38.329 -3.176 1.00 0.00 H new ATOM 0 HB3 GLN A 55 20.933 -37.157 -2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 55 19.655 -39.119 -1.629 1.00 0.00 H new ATOM 0 HG3 GLN A 55 21.106 -40.072 -1.868 1.00 0.00 H new ATOM 0 HE21 GLN A 55 23.001 -39.625 -0.574 1.00 0.00 H new ATOM 0 HE22 GLN A 55 22.925 -38.541 0.819 1.00 0.00 H new ATOM 882 N LYS A 56 21.042 -38.111 -6.466 1.00 0.00 N ATOM 883 CA LYS A 56 21.385 -37.294 -7.643 1.00 0.00 C ATOM 884 C LYS A 56 20.538 -37.657 -8.874 1.00 0.00 C ATOM 885 O LYS A 56 20.483 -36.903 -9.841 1.00 0.00 O ATOM 886 CB LYS A 56 22.902 -37.373 -7.912 1.00 0.00 C ATOM 887 CG LYS A 56 23.764 -37.558 -6.639 1.00 0.00 C ATOM 888 CD LYS A 56 25.227 -37.180 -6.902 1.00 0.00 C ATOM 889 CE LYS A 56 26.077 -37.405 -5.644 1.00 0.00 C ATOM 890 NZ LYS A 56 27.505 -37.065 -5.889 1.00 0.00 N ATOM 0 H LYS A 56 21.211 -39.107 -6.607 1.00 0.00 H new ATOM 0 HA LYS A 56 21.138 -36.255 -7.426 1.00 0.00 H new ATOM 0 HB2 LYS A 56 23.096 -38.202 -8.592 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.217 -36.462 -8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.365 -36.941 -5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 56 23.707 -38.594 -6.305 1.00 0.00 H new ATOM 0 HD2 LYS A 56 25.620 -37.777 -7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 56 25.289 -36.136 -7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.691 -36.795 -4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.997 -38.446 -5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 28.054 -37.227 -5.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 27.879 -37.665 -6.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 27.581 -36.065 -6.165 1.00 0.00 H new ATOM 904 N GLU A 57 19.834 -38.791 -8.806 1.00 0.00 N ATOM 905 CA GLU A 57 18.900 -39.319 -9.806 1.00 0.00 C ATOM 906 C GLU A 57 17.427 -39.006 -9.460 1.00 0.00 C ATOM 907 O GLU A 57 16.641 -38.641 -10.332 1.00 0.00 O ATOM 908 CB GLU A 57 19.085 -40.845 -9.868 1.00 0.00 C ATOM 909 CG GLU A 57 20.323 -41.325 -10.640 1.00 0.00 C ATOM 910 CD GLU A 57 21.670 -40.835 -10.062 1.00 0.00 C ATOM 911 OE1 GLU A 57 21.961 -41.095 -8.867 1.00 0.00 O ATOM 912 OE2 GLU A 57 22.451 -40.193 -10.804 1.00 0.00 O ATOM 0 H GLU A 57 19.906 -39.406 -7.996 1.00 0.00 H new ATOM 0 HA GLU A 57 19.117 -38.844 -10.763 1.00 0.00 H new ATOM 0 HB2 GLU A 57 19.141 -41.229 -8.850 1.00 0.00 H new ATOM 0 HB3 GLU A 57 18.199 -41.284 -10.326 1.00 0.00 H new ATOM 0 HG2 GLU A 57 20.325 -42.415 -10.657 1.00 0.00 H new ATOM 0 HG3 GLU A 57 20.243 -40.990 -11.674 1.00 0.00 H new ATOM 919 N TYR A 58 17.070 -39.129 -8.176 1.00 0.00 N ATOM 920 CA TYR A 58 15.711 -39.046 -7.618 1.00 0.00 C ATOM 921 C TYR A 58 15.008 -37.668 -7.696 1.00 0.00 C ATOM 922 O TYR A 58 13.915 -37.489 -7.163 1.00 0.00 O ATOM 923 CB TYR A 58 15.790 -39.515 -6.151 1.00 0.00 C ATOM 924 CG TYR A 58 16.333 -38.542 -5.098 1.00 0.00 C ATOM 925 CD1 TYR A 58 17.090 -37.399 -5.434 1.00 0.00 C ATOM 926 CD2 TYR A 58 16.052 -38.796 -3.740 1.00 0.00 C ATOM 927 CE1 TYR A 58 17.488 -36.488 -4.438 1.00 0.00 C ATOM 928 CE2 TYR A 58 16.483 -37.908 -2.732 1.00 0.00 C ATOM 929 CZ TYR A 58 17.185 -36.735 -3.083 1.00 0.00 C ATOM 930 OH TYR A 58 17.592 -35.859 -2.127 1.00 0.00 O ATOM 0 H TYR A 58 17.766 -39.300 -7.451 1.00 0.00 H new ATOM 0 HA TYR A 58 15.085 -39.682 -8.245 1.00 0.00 H new ATOM 0 HB2 TYR A 58 14.787 -39.810 -5.843 1.00 0.00 H new ATOM 0 HB3 TYR A 58 16.409 -40.412 -6.123 1.00 0.00 H new ATOM 0 HD1 TYR A 58 17.366 -37.222 -6.463 1.00 0.00 H new ATOM 0 HD2 TYR A 58 15.499 -39.683 -3.468 1.00 0.00 H new ATOM 0 HE1 TYR A 58 18.029 -35.594 -4.713 1.00 0.00 H new ATOM 0 HE2 TYR A 58 16.276 -38.125 -1.694 1.00 0.00 H new ATOM 0 HH TYR A 58 17.301 -36.177 -1.247 1.00 0.00 H new ATOM 940 N ASP A 59 15.636 -36.672 -8.326 1.00 0.00 N ATOM 941 CA ASP A 59 15.247 -35.257 -8.265 1.00 0.00 C ATOM 942 C ASP A 59 13.829 -34.921 -8.771 1.00 0.00 C ATOM 943 O ASP A 59 13.267 -33.903 -8.368 1.00 0.00 O ATOM 944 CB ASP A 59 16.338 -34.430 -8.951 1.00 0.00 C ATOM 945 CG ASP A 59 16.101 -32.923 -8.804 1.00 0.00 C ATOM 946 OD1 ASP A 59 16.366 -32.378 -7.706 1.00 0.00 O ATOM 947 OD2 ASP A 59 15.673 -32.295 -9.801 1.00 0.00 O ATOM 0 H ASP A 59 16.456 -36.831 -8.912 1.00 0.00 H new ATOM 0 HA ASP A 59 15.172 -34.992 -7.210 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.308 -34.687 -8.525 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.376 -34.689 -10.009 1.00 0.00 H new ATOM 952 N SER A 60 13.188 -35.779 -9.570 1.00 0.00 N ATOM 953 CA SER A 60 11.754 -35.619 -9.894 1.00 0.00 C ATOM 954 C SER A 60 10.844 -35.653 -8.656 1.00 0.00 C ATOM 955 O SER A 60 9.795 -35.013 -8.651 1.00 0.00 O ATOM 956 CB SER A 60 11.277 -36.672 -10.892 1.00 0.00 C ATOM 957 OG SER A 60 11.892 -36.458 -12.146 1.00 0.00 O ATOM 0 H SER A 60 13.630 -36.589 -10.005 1.00 0.00 H new ATOM 0 HA SER A 60 11.675 -34.629 -10.342 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.518 -37.670 -10.524 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.193 -36.623 -10.995 1.00 0.00 H new ATOM 0 HG SER A 60 11.372 -36.905 -12.846 1.00 0.00 H new ATOM 963 N SER A 61 11.246 -36.339 -7.579 1.00 0.00 N ATOM 964 CA SER A 61 10.542 -36.315 -6.283 1.00 0.00 C ATOM 965 C SER A 61 10.757 -35.016 -5.485 1.00 0.00 C ATOM 966 O SER A 61 10.001 -34.731 -4.553 1.00 0.00 O ATOM 967 CB SER A 61 10.965 -37.508 -5.427 1.00 0.00 C ATOM 968 OG SER A 61 10.692 -38.739 -6.087 1.00 0.00 O ATOM 0 H SER A 61 12.076 -36.932 -7.579 1.00 0.00 H new ATOM 0 HA SER A 61 9.480 -36.371 -6.521 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.030 -37.440 -5.205 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.438 -37.479 -4.473 1.00 0.00 H new ATOM 0 HG SER A 61 10.974 -39.485 -5.518 1.00 0.00 H new ATOM 974 N LEU A 62 11.782 -34.225 -5.837 1.00 0.00 N ATOM 975 CA LEU A 62 12.201 -33.007 -5.144 1.00 0.00 C ATOM 976 C LEU A 62 11.746 -31.720 -5.866 1.00 0.00 C ATOM 977 O LEU A 62 11.420 -30.731 -5.204 1.00 0.00 O ATOM 978 CB LEU A 62 13.742 -33.032 -5.027 1.00 0.00 C ATOM 979 CG LEU A 62 14.354 -33.840 -3.864 1.00 0.00 C ATOM 980 CD1 LEU A 62 14.005 -33.238 -2.502 1.00 0.00 C ATOM 981 CD2 LEU A 62 13.956 -35.318 -3.853 1.00 0.00 C ATOM 0 H LEU A 62 12.364 -34.430 -6.649 1.00 0.00 H new ATOM 0 HA LEU A 62 11.729 -32.989 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.144 -33.428 -5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.090 -32.003 -4.941 1.00 0.00 H new ATOM 0 HG LEU A 62 15.428 -33.781 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.456 -33.839 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.387 -32.219 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.922 -33.227 -2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 62 14.427 -35.815 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.873 -35.402 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.284 -35.790 -4.779 1.00 0.00 H new ATOM 993 N ALA A 63 11.710 -31.720 -7.206 1.00 0.00 N ATOM 994 CA ALA A 63 11.439 -30.537 -8.031 1.00 0.00 C ATOM 995 C ALA A 63 10.626 -30.805 -9.313 1.00 0.00 C ATOM 996 O ALA A 63 10.444 -29.904 -10.134 1.00 0.00 O ATOM 997 CB ALA A 63 12.784 -29.891 -8.375 1.00 0.00 C ATOM 0 H ALA A 63 11.872 -32.562 -7.758 1.00 0.00 H new ATOM 0 HA ALA A 63 10.803 -29.874 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 63 12.616 -29.006 -8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.295 -29.603 -7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.400 -30.603 -8.925 1.00 0.00 H new ATOM 1003 N THR A 64 10.120 -32.026 -9.486 1.00 0.00 N ATOM 1004 CA THR A 64 9.429 -32.511 -10.702 1.00 0.00 C ATOM 1005 C THR A 64 10.202 -32.131 -11.981 1.00 0.00 C ATOM 1006 O THR A 64 11.437 -32.211 -11.993 1.00 0.00 O ATOM 1007 CB THR A 64 7.935 -32.085 -10.690 1.00 0.00 C ATOM 1008 OG1 THR A 64 7.390 -32.136 -9.384 1.00 0.00 O ATOM 1009 CG2 THR A 64 7.056 -33.027 -11.522 1.00 0.00 C ATOM 0 H THR A 64 10.178 -32.740 -8.760 1.00 0.00 H new ATOM 0 HA THR A 64 9.421 -33.601 -10.702 1.00 0.00 H new ATOM 0 HB THR A 64 7.931 -31.074 -11.097 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.450 -31.861 -9.411 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.021 -32.688 -11.483 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.399 -33.026 -12.557 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.122 -34.037 -11.119 1.00 0.00 H new ATOM 1017 N LEU A 65 9.532 -31.697 -13.052 1.00 0.00 N ATOM 1018 CA LEU A 65 10.131 -31.127 -14.273 1.00 0.00 C ATOM 1019 C LEU A 65 10.578 -29.672 -14.044 1.00 0.00 C ATOM 1020 O LEU A 65 10.196 -28.751 -14.770 1.00 0.00 O ATOM 1021 CB LEU A 65 9.152 -31.296 -15.454 1.00 0.00 C ATOM 1022 CG LEU A 65 8.804 -32.758 -15.805 1.00 0.00 C ATOM 1023 CD1 LEU A 65 7.817 -32.783 -16.968 1.00 0.00 C ATOM 1024 CD2 LEU A 65 10.032 -33.581 -16.195 1.00 0.00 C ATOM 0 H LEU A 65 8.514 -31.733 -13.099 1.00 0.00 H new ATOM 0 HA LEU A 65 11.040 -31.671 -14.529 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.230 -30.764 -15.221 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.582 -30.819 -16.335 1.00 0.00 H new ATOM 0 HG LEU A 65 8.371 -33.203 -14.909 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.572 -33.816 -17.215 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.908 -32.252 -16.685 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.265 -32.299 -17.836 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.727 -34.600 -16.431 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.508 -33.133 -17.067 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.738 -33.597 -15.365 1.00 0.00 H new ATOM 1036 N ASP A 66 11.416 -29.489 -13.022 1.00 0.00 N ATOM 1037 CA ASP A 66 12.137 -28.259 -12.720 1.00 0.00 C ATOM 1038 C ASP A 66 11.224 -27.074 -12.385 1.00 0.00 C ATOM 1039 O ASP A 66 11.397 -25.952 -12.880 1.00 0.00 O ATOM 1040 CB ASP A 66 13.180 -28.020 -13.817 1.00 0.00 C ATOM 1041 CG ASP A 66 14.091 -29.239 -13.986 1.00 0.00 C ATOM 1042 OD1 ASP A 66 14.839 -29.562 -13.037 1.00 0.00 O ATOM 1043 OD2 ASP A 66 14.015 -29.924 -15.031 1.00 0.00 O ATOM 0 H ASP A 66 11.617 -30.232 -12.353 1.00 0.00 H new ATOM 0 HA ASP A 66 12.682 -28.372 -11.783 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.678 -27.804 -14.760 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.780 -27.145 -13.568 1.00 0.00 H new ATOM 1048 N HIS A 67 10.229 -27.335 -11.526 1.00 0.00 N ATOM 1049 CA HIS A 67 9.250 -26.351 -11.079 1.00 0.00 C ATOM 1050 C HIS A 67 9.538 -25.772 -9.685 1.00 0.00 C ATOM 1051 O HIS A 67 10.160 -26.425 -8.842 1.00 0.00 O ATOM 1052 CB HIS A 67 7.834 -26.961 -11.101 1.00 0.00 C ATOM 1053 CG HIS A 67 7.328 -27.355 -12.461 1.00 0.00 C ATOM 1054 ND1 HIS A 67 6.703 -28.567 -12.782 1.00 0.00 N ATOM 1055 CD2 HIS A 67 7.360 -26.569 -13.571 1.00 0.00 C ATOM 1056 CE1 HIS A 67 6.404 -28.481 -14.092 1.00 0.00 C ATOM 1057 NE2 HIS A 67 6.805 -27.299 -14.595 1.00 0.00 N ATOM 0 H HIS A 67 10.085 -28.258 -11.117 1.00 0.00 H new ATOM 0 HA HIS A 67 9.321 -25.520 -11.781 1.00 0.00 H new ATOM 0 HB2 HIS A 67 7.825 -27.841 -10.458 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.139 -26.242 -10.667 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.748 -25.563 -13.635 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.910 -29.255 -14.661 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.713 -26.998 -15.565 1.00 0.00 H new ATOM 1065 N THR A 68 9.002 -24.579 -9.413 1.00 0.00 N ATOM 1066 CA THR A 68 8.980 -23.961 -8.078 1.00 0.00 C ATOM 1067 C THR A 68 7.644 -23.256 -7.855 1.00 0.00 C ATOM 1068 O THR A 68 7.106 -22.643 -8.776 1.00 0.00 O ATOM 1069 CB THR A 68 10.135 -22.963 -7.942 1.00 0.00 C ATOM 1070 OG1 THR A 68 11.370 -23.589 -8.244 1.00 0.00 O ATOM 1071 CG2 THR A 68 10.277 -22.392 -6.535 1.00 0.00 C ATOM 0 H THR A 68 8.561 -24.001 -10.128 1.00 0.00 H new ATOM 0 HA THR A 68 9.099 -24.738 -7.323 1.00 0.00 H new ATOM 0 HB THR A 68 9.899 -22.158 -8.638 1.00 0.00 H new ATOM 0 HG1 THR A 68 12.087 -23.161 -7.731 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.113 -21.693 -6.509 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.360 -21.871 -6.259 1.00 0.00 H new ATOM 0 HG23 THR A 68 10.460 -23.203 -5.830 1.00 0.00 H new ATOM 1079 N GLU A 69 7.109 -23.323 -6.637 1.00 0.00 N ATOM 1080 CA GLU A 69 5.823 -22.705 -6.264 1.00 0.00 C ATOM 1081 C GLU A 69 6.037 -21.373 -5.520 1.00 0.00 C ATOM 1082 O GLU A 69 7.069 -21.168 -4.873 1.00 0.00 O ATOM 1083 CB GLU A 69 4.992 -23.678 -5.410 1.00 0.00 C ATOM 1084 CG GLU A 69 4.653 -24.977 -6.153 1.00 0.00 C ATOM 1085 CD GLU A 69 3.793 -25.915 -5.282 1.00 0.00 C ATOM 1086 OE1 GLU A 69 4.351 -26.593 -4.383 1.00 0.00 O ATOM 1087 OE2 GLU A 69 2.561 -26.000 -5.500 1.00 0.00 O ATOM 0 H GLU A 69 7.558 -23.814 -5.864 1.00 0.00 H new ATOM 0 HA GLU A 69 5.274 -22.487 -7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.543 -23.918 -4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.068 -23.188 -5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.120 -24.743 -7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.574 -25.486 -6.439 1.00 0.00 H new ATOM 1094 N ILE A 70 5.053 -20.477 -5.604 1.00 0.00 N ATOM 1095 CA ILE A 70 5.081 -19.134 -5.016 1.00 0.00 C ATOM 1096 C ILE A 70 3.807 -18.947 -4.187 1.00 0.00 C ATOM 1097 O ILE A 70 2.733 -19.338 -4.646 1.00 0.00 O ATOM 1098 CB ILE A 70 5.212 -18.044 -6.106 1.00 0.00 C ATOM 1099 CG1 ILE A 70 6.514 -18.198 -6.908 1.00 0.00 C ATOM 1100 CG2 ILE A 70 5.205 -16.636 -5.475 1.00 0.00 C ATOM 1101 CD1 ILE A 70 6.415 -19.156 -8.091 1.00 0.00 C ATOM 0 H ILE A 70 4.183 -20.672 -6.100 1.00 0.00 H new ATOM 0 HA ILE A 70 5.955 -19.032 -4.373 1.00 0.00 H new ATOM 0 HB ILE A 70 4.358 -18.165 -6.773 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.819 -17.218 -7.274 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.300 -18.547 -6.238 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.298 -15.885 -6.260 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.270 -16.483 -4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.042 -16.543 -4.783 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.377 -19.205 -8.601 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.143 -20.149 -7.733 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.654 -18.799 -8.785 1.00 0.00 H new ATOM 1113 N LYS A 71 3.900 -18.330 -3.008 1.00 0.00 N ATOM 1114 CA LYS A 71 2.807 -18.201 -2.029 1.00 0.00 C ATOM 1115 C LYS A 71 2.714 -16.797 -1.425 1.00 0.00 C ATOM 1116 O LYS A 71 3.702 -16.065 -1.380 1.00 0.00 O ATOM 1117 CB LYS A 71 2.978 -19.282 -0.944 1.00 0.00 C ATOM 1118 CG LYS A 71 4.268 -19.151 -0.111 1.00 0.00 C ATOM 1119 CD LYS A 71 4.477 -20.302 0.883 1.00 0.00 C ATOM 1120 CE LYS A 71 3.408 -20.328 1.981 1.00 0.00 C ATOM 1121 NZ LYS A 71 3.680 -21.392 2.980 1.00 0.00 N ATOM 0 H LYS A 71 4.765 -17.890 -2.693 1.00 0.00 H new ATOM 0 HA LYS A 71 1.860 -18.354 -2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.121 -19.243 -0.272 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.966 -20.262 -1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.123 -19.105 -0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.243 -18.209 0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.464 -21.250 0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.462 -20.209 1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.374 -19.359 2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.428 -20.491 1.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.938 -21.382 3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.688 -22.318 2.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.604 -21.222 3.425 1.00 0.00 H new ATOM 1135 N ALA A 72 1.518 -16.429 -0.955 1.00 0.00 N ATOM 1136 CA ALA A 72 1.268 -15.172 -0.250 1.00 0.00 C ATOM 1137 C ALA A 72 2.092 -15.051 1.054 1.00 0.00 C ATOM 1138 O ALA A 72 2.548 -16.061 1.602 1.00 0.00 O ATOM 1139 CB ALA A 72 -0.246 -15.065 0.026 1.00 0.00 C ATOM 0 H ALA A 72 0.684 -17.007 -1.056 1.00 0.00 H new ATOM 0 HA ALA A 72 1.592 -14.343 -0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.455 -14.133 0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.790 -15.078 -0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.564 -15.908 0.640 1.00 0.00 H new ATOM 1145 N PRO A 73 2.247 -13.828 1.594 1.00 0.00 N ATOM 1146 CA PRO A 73 2.807 -13.619 2.933 1.00 0.00 C ATOM 1147 C PRO A 73 1.794 -13.789 4.080 1.00 0.00 C ATOM 1148 O PRO A 73 2.116 -14.362 5.122 1.00 0.00 O ATOM 1149 CB PRO A 73 3.283 -12.172 2.914 1.00 0.00 C ATOM 1150 CG PRO A 73 2.335 -11.486 1.935 1.00 0.00 C ATOM 1151 CD PRO A 73 2.115 -12.560 0.876 1.00 0.00 C ATOM 0 HA PRO A 73 3.582 -14.361 3.125 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.229 -11.721 3.905 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.320 -12.097 2.585 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.401 -11.192 2.414 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.774 -10.583 1.511 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.131 -12.466 0.417 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.850 -12.481 0.075 1.00 0.00 H new ATOM 1159 N PHE A 74 0.579 -13.261 3.896 1.00 0.00 N ATOM 1160 CA PHE A 74 -0.442 -13.083 4.942 1.00 0.00 C ATOM 1161 C PHE A 74 -1.881 -13.001 4.391 1.00 0.00 C ATOM 1162 O PHE A 74 -2.094 -12.832 3.192 1.00 0.00 O ATOM 1163 CB PHE A 74 -0.089 -11.811 5.746 1.00 0.00 C ATOM 1164 CG PHE A 74 0.134 -10.534 4.925 1.00 0.00 C ATOM 1165 CD1 PHE A 74 -0.932 -9.893 4.257 1.00 0.00 C ATOM 1166 CD2 PHE A 74 1.437 -10.002 4.767 1.00 0.00 C ATOM 1167 CE1 PHE A 74 -0.702 -8.783 3.430 1.00 0.00 C ATOM 1168 CE2 PHE A 74 1.664 -8.873 3.964 1.00 0.00 C ATOM 1169 CZ PHE A 74 0.593 -8.264 3.288 1.00 0.00 C ATOM 0 H PHE A 74 0.265 -12.933 2.983 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.429 -13.966 5.582 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.890 -11.624 6.461 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.814 -12.010 6.324 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.939 -10.262 4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 74 2.268 -10.472 5.272 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.525 -8.327 2.901 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.662 -8.472 3.866 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.766 -7.401 2.662 1.00 0.00 H new ATOM 1179 N ASP A 75 -2.870 -13.108 5.292 1.00 0.00 N ATOM 1180 CA ASP A 75 -4.306 -12.993 4.979 1.00 0.00 C ATOM 1181 C ASP A 75 -4.661 -11.627 4.389 1.00 0.00 C ATOM 1182 O ASP A 75 -4.223 -10.597 4.901 1.00 0.00 O ATOM 1183 CB ASP A 75 -5.136 -13.202 6.250 1.00 0.00 C ATOM 1184 CG ASP A 75 -6.634 -13.398 5.968 1.00 0.00 C ATOM 1185 OD1 ASP A 75 -7.372 -12.398 5.818 1.00 0.00 O ATOM 1186 OD2 ASP A 75 -7.073 -14.574 5.926 1.00 0.00 O ATOM 0 H ASP A 75 -2.691 -13.281 6.281 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.532 -13.760 4.238 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.757 -14.072 6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.006 -12.342 6.907 1.00 0.00 H new ATOM 1191 N GLY A 76 -5.502 -11.585 3.354 1.00 0.00 N ATOM 1192 CA GLY A 76 -5.920 -10.318 2.773 1.00 0.00 C ATOM 1193 C GLY A 76 -6.690 -10.436 1.461 1.00 0.00 C ATOM 1194 O GLY A 76 -7.259 -11.475 1.128 1.00 0.00 O ATOM 0 H GLY A 76 -5.902 -12.410 2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.542 -9.791 3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.036 -9.703 2.605 1.00 0.00 H new ATOM 1198 N THR A 77 -6.677 -9.331 0.720 1.00 0.00 N ATOM 1199 CA THR A 77 -7.169 -9.219 -0.664 1.00 0.00 C ATOM 1200 C THR A 77 -5.989 -9.172 -1.614 1.00 0.00 C ATOM 1201 O THR A 77 -4.861 -8.890 -1.206 1.00 0.00 O ATOM 1202 CB THR A 77 -8.035 -7.952 -0.790 1.00 0.00 C ATOM 1203 OG1 THR A 77 -9.076 -7.974 0.166 1.00 0.00 O ATOM 1204 CG2 THR A 77 -8.718 -7.722 -2.133 1.00 0.00 C ATOM 0 H THR A 77 -6.309 -8.449 1.076 1.00 0.00 H new ATOM 0 HA THR A 77 -7.781 -10.084 -0.921 1.00 0.00 H new ATOM 0 HB THR A 77 -7.310 -7.151 -0.647 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.413 -7.064 0.303 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.297 -6.799 -2.094 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.964 -7.644 -2.916 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.383 -8.558 -2.351 1.00 0.00 H new ATOM 1212 N ILE A 78 -6.223 -9.471 -2.887 1.00 0.00 N ATOM 1213 CA ILE A 78 -5.167 -9.545 -3.887 1.00 0.00 C ATOM 1214 C ILE A 78 -5.614 -8.872 -5.187 1.00 0.00 C ATOM 1215 O ILE A 78 -6.767 -8.986 -5.606 1.00 0.00 O ATOM 1216 CB ILE A 78 -4.734 -11.013 -4.023 1.00 0.00 C ATOM 1217 CG1 ILE A 78 -3.371 -11.099 -4.726 1.00 0.00 C ATOM 1218 CG2 ILE A 78 -5.796 -11.911 -4.678 1.00 0.00 C ATOM 1219 CD1 ILE A 78 -2.647 -12.407 -4.470 1.00 0.00 C ATOM 0 H ILE A 78 -7.154 -9.669 -3.254 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.282 -8.985 -3.585 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.626 -11.413 -3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.515 -10.975 -5.799 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.744 -10.273 -4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.420 -12.932 -4.741 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.706 -11.895 -4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.016 -11.543 -5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.692 -12.403 -4.995 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.473 -12.523 -3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.256 -13.236 -4.831 1.00 0.00 H new ATOM 1231 N GLY A 79 -4.710 -8.090 -5.782 1.00 0.00 N ATOM 1232 CA GLY A 79 -5.040 -7.199 -6.895 1.00 0.00 C ATOM 1233 C GLY A 79 -5.077 -7.904 -8.247 1.00 0.00 C ATOM 1234 O GLY A 79 -5.012 -9.132 -8.342 1.00 0.00 O ATOM 0 H GLY A 79 -3.729 -8.057 -5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.010 -6.739 -6.707 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.308 -6.393 -6.934 1.00 0.00 H new ATOM 1238 N ASP A 80 -5.188 -7.112 -9.313 1.00 0.00 N ATOM 1239 CA ASP A 80 -4.989 -7.614 -10.678 1.00 0.00 C ATOM 1240 C ASP A 80 -3.606 -8.246 -10.846 1.00 0.00 C ATOM 1241 O ASP A 80 -2.579 -7.630 -10.559 1.00 0.00 O ATOM 1242 CB ASP A 80 -5.230 -6.538 -11.751 1.00 0.00 C ATOM 1243 CG ASP A 80 -4.868 -5.113 -11.293 1.00 0.00 C ATOM 1244 OD1 ASP A 80 -5.744 -4.425 -10.722 1.00 0.00 O ATOM 1245 OD2 ASP A 80 -3.699 -4.688 -11.414 1.00 0.00 O ATOM 0 H ASP A 80 -5.415 -6.119 -9.261 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.742 -8.387 -10.829 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.645 -6.784 -12.637 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.279 -6.560 -12.045 1.00 0.00 H new ATOM 1250 N ALA A 81 -3.592 -9.484 -11.341 1.00 0.00 N ATOM 1251 CA ALA A 81 -2.380 -10.197 -11.708 1.00 0.00 C ATOM 1252 C ALA A 81 -1.575 -9.383 -12.748 1.00 0.00 C ATOM 1253 O ALA A 81 -2.132 -8.840 -13.710 1.00 0.00 O ATOM 1254 CB ALA A 81 -2.806 -11.538 -12.296 1.00 0.00 C ATOM 0 H ALA A 81 -4.442 -10.025 -11.499 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.740 -10.345 -10.838 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.922 -12.106 -12.585 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.370 -12.099 -11.551 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.431 -11.369 -13.173 1.00 0.00 H new ATOM 1260 N LEU A 82 -0.256 -9.357 -12.592 1.00 0.00 N ATOM 1261 CA LEU A 82 0.678 -8.705 -13.514 1.00 0.00 C ATOM 1262 C LEU A 82 1.277 -9.679 -14.557 1.00 0.00 C ATOM 1263 O LEU A 82 1.985 -9.248 -15.469 1.00 0.00 O ATOM 1264 CB LEU A 82 1.792 -8.040 -12.688 1.00 0.00 C ATOM 1265 CG LEU A 82 1.433 -6.944 -11.683 1.00 0.00 C ATOM 1266 CD1 LEU A 82 2.628 -6.604 -10.792 1.00 0.00 C ATOM 1267 CD2 LEU A 82 1.052 -5.732 -12.494 1.00 0.00 C ATOM 0 H LEU A 82 0.210 -9.800 -11.800 1.00 0.00 H new ATOM 0 HA LEU A 82 0.127 -7.959 -14.086 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.308 -8.829 -12.140 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.511 -7.617 -13.390 1.00 0.00 H new ATOM 0 HG LEU A 82 0.622 -7.273 -11.033 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.345 -5.822 -10.087 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.937 -7.493 -10.243 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.455 -6.254 -11.410 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.785 -4.915 -11.824 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.895 -5.431 -13.116 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.200 -5.973 -13.130 1.00 0.00 H new ATOM 1279 N VAL A 83 0.999 -10.987 -14.430 1.00 0.00 N ATOM 1280 CA VAL A 83 1.668 -12.075 -15.177 1.00 0.00 C ATOM 1281 C VAL A 83 0.713 -13.204 -15.559 1.00 0.00 C ATOM 1282 O VAL A 83 -0.321 -13.417 -14.933 1.00 0.00 O ATOM 1283 CB VAL A 83 2.845 -12.656 -14.362 1.00 0.00 C ATOM 1284 CG1 VAL A 83 3.817 -11.572 -13.899 1.00 0.00 C ATOM 1285 CG2 VAL A 83 2.394 -13.418 -13.105 1.00 0.00 C ATOM 0 H VAL A 83 0.284 -11.330 -13.789 1.00 0.00 H new ATOM 0 HA VAL A 83 2.040 -11.627 -16.099 1.00 0.00 H new ATOM 0 HB VAL A 83 3.333 -13.343 -15.053 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.627 -12.029 -13.330 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.228 -11.057 -14.767 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.290 -10.856 -13.269 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.268 -13.800 -12.578 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.841 -12.745 -12.450 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.752 -14.250 -13.395 1.00 0.00 H new ATOM 1295 N ASN A 84 1.093 -13.972 -16.578 1.00 0.00 N ATOM 1296 CA ASN A 84 0.390 -15.114 -17.123 1.00 0.00 C ATOM 1297 C ASN A 84 1.380 -16.210 -17.517 1.00 0.00 C ATOM 1298 O ASN A 84 2.585 -15.997 -17.577 1.00 0.00 O ATOM 1299 CB ASN A 84 -0.391 -14.678 -18.373 1.00 0.00 C ATOM 1300 CG ASN A 84 -1.085 -13.338 -18.294 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -2.241 -13.230 -17.911 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -0.397 -12.280 -18.648 1.00 0.00 N ATOM 0 H ASN A 84 1.965 -13.793 -17.075 1.00 0.00 H new ATOM 0 HA ASN A 84 -0.292 -15.502 -16.366 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.298 -14.657 -19.217 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.140 -15.439 -18.591 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.825 -11.355 -18.605 1.00 0.00 H new ATOM 0 HD22 ASN A 84 0.567 -12.381 -18.966 1.00 0.00 H new ATOM 1309 N ILE A 85 0.849 -17.381 -17.841 1.00 0.00 N ATOM 1310 CA ILE A 85 1.570 -18.596 -18.214 1.00 0.00 C ATOM 1311 C ILE A 85 2.391 -18.335 -19.481 1.00 0.00 C ATOM 1312 O ILE A 85 1.819 -18.246 -20.576 1.00 0.00 O ATOM 1313 CB ILE A 85 0.536 -19.724 -18.401 1.00 0.00 C ATOM 1314 CG1 ILE A 85 -0.177 -20.123 -17.082 1.00 0.00 C ATOM 1315 CG2 ILE A 85 1.186 -20.999 -18.966 1.00 0.00 C ATOM 1316 CD1 ILE A 85 -1.053 -19.057 -16.404 1.00 0.00 C ATOM 0 H ILE A 85 -0.162 -17.519 -17.852 1.00 0.00 H new ATOM 0 HA ILE A 85 2.273 -18.898 -17.438 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.195 -19.315 -19.098 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.801 -20.993 -17.286 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.585 -20.437 -16.369 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.427 -21.772 -19.084 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.635 -20.780 -19.935 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.957 -21.349 -18.280 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.490 -19.470 -15.494 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.442 -18.190 -16.152 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.849 -18.754 -17.084 1.00 0.00 H new ATOM 1328 N GLY A 86 3.709 -18.145 -19.348 1.00 0.00 N ATOM 1329 CA GLY A 86 4.581 -17.794 -20.468 1.00 0.00 C ATOM 1330 C GLY A 86 5.212 -16.413 -20.321 1.00 0.00 C ATOM 1331 O GLY A 86 6.157 -16.106 -21.048 1.00 0.00 O ATOM 0 H GLY A 86 4.199 -18.231 -18.458 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.370 -18.541 -20.555 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.006 -17.828 -21.394 1.00 0.00 H new ATOM 1335 N ASP A 87 4.733 -15.579 -19.392 1.00 0.00 N ATOM 1336 CA ASP A 87 5.455 -14.364 -19.025 1.00 0.00 C ATOM 1337 C ASP A 87 6.773 -14.771 -18.371 1.00 0.00 C ATOM 1338 O ASP A 87 6.810 -15.588 -17.432 1.00 0.00 O ATOM 1339 CB ASP A 87 4.632 -13.457 -18.099 1.00 0.00 C ATOM 1340 CG ASP A 87 3.645 -12.581 -18.886 1.00 0.00 C ATOM 1341 OD1 ASP A 87 4.106 -11.730 -19.688 1.00 0.00 O ATOM 1342 OD2 ASP A 87 2.414 -12.726 -18.695 1.00 0.00 O ATOM 0 H ASP A 87 3.858 -15.723 -18.888 1.00 0.00 H new ATOM 0 HA ASP A 87 5.648 -13.779 -19.924 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.083 -14.070 -17.384 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.304 -12.820 -17.523 1.00 0.00 H new ATOM 1347 N TYR A 88 7.864 -14.221 -18.913 1.00 0.00 N ATOM 1348 CA TYR A 88 9.195 -14.453 -18.392 1.00 0.00 C ATOM 1349 C TYR A 88 9.364 -13.695 -17.081 1.00 0.00 C ATOM 1350 O TYR A 88 9.492 -12.468 -17.092 1.00 0.00 O ATOM 1351 CB TYR A 88 10.256 -14.039 -19.425 1.00 0.00 C ATOM 1352 CG TYR A 88 11.531 -14.800 -19.163 1.00 0.00 C ATOM 1353 CD1 TYR A 88 11.702 -16.039 -19.799 1.00 0.00 C ATOM 1354 CD2 TYR A 88 12.393 -14.415 -18.119 1.00 0.00 C ATOM 1355 CE1 TYR A 88 12.689 -16.929 -19.357 1.00 0.00 C ATOM 1356 CE2 TYR A 88 13.417 -15.284 -17.695 1.00 0.00 C ATOM 1357 CZ TYR A 88 13.572 -16.547 -18.315 1.00 0.00 C ATOM 1358 OH TYR A 88 14.555 -17.391 -17.900 1.00 0.00 O ATOM 0 H TYR A 88 7.839 -13.604 -19.725 1.00 0.00 H new ATOM 0 HA TYR A 88 9.331 -15.517 -18.196 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.897 -14.244 -20.434 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.440 -12.966 -19.364 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.070 -16.307 -20.633 1.00 0.00 H new ATOM 0 HD2 TYR A 88 12.269 -13.453 -17.643 1.00 0.00 H new ATOM 0 HE1 TYR A 88 12.778 -17.906 -19.809 1.00 0.00 H new ATOM 0 HE2 TYR A 88 14.083 -14.987 -16.898 1.00 0.00 H new ATOM 0 HH TYR A 88 14.675 -18.104 -18.561 1.00 0.00 H new ATOM 1368 N VAL A 89 9.371 -14.433 -15.969 1.00 0.00 N ATOM 1369 CA VAL A 89 9.571 -13.808 -14.638 1.00 0.00 C ATOM 1370 C VAL A 89 10.910 -14.100 -13.960 1.00 0.00 C ATOM 1371 O VAL A 89 11.530 -15.144 -14.134 1.00 0.00 O ATOM 1372 CB VAL A 89 8.409 -14.020 -13.664 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.074 -13.606 -14.275 1.00 0.00 C ATOM 1374 CG2 VAL A 89 8.296 -15.464 -13.171 1.00 0.00 C ATOM 0 H VAL A 89 9.244 -15.445 -15.950 1.00 0.00 H new ATOM 0 HA VAL A 89 9.596 -12.749 -14.896 1.00 0.00 H new ATOM 0 HB VAL A 89 8.636 -13.382 -12.810 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.276 -13.772 -13.552 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.108 -12.550 -14.542 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.883 -14.200 -15.169 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.454 -15.549 -12.484 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.139 -16.128 -14.021 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.214 -15.745 -12.656 1.00 0.00 H new ATOM 1384 N SER A 90 11.359 -13.155 -13.140 1.00 0.00 N ATOM 1385 CA SER A 90 12.655 -13.184 -12.463 1.00 0.00 C ATOM 1386 C SER A 90 12.522 -12.683 -11.016 1.00 0.00 C ATOM 1387 O SER A 90 11.648 -11.867 -10.698 1.00 0.00 O ATOM 1388 CB SER A 90 13.651 -12.454 -13.357 1.00 0.00 C ATOM 1389 OG SER A 90 14.815 -12.065 -12.653 1.00 0.00 O ATOM 0 H SER A 90 10.815 -12.321 -12.920 1.00 0.00 H new ATOM 0 HA SER A 90 13.046 -14.193 -12.331 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.931 -13.100 -14.190 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.175 -11.571 -13.784 1.00 0.00 H new ATOM 0 HG SER A 90 15.427 -11.602 -13.263 1.00 0.00 H new ATOM 1395 N ALA A 91 13.374 -13.210 -10.129 1.00 0.00 N ATOM 1396 CA ALA A 91 13.222 -13.173 -8.667 1.00 0.00 C ATOM 1397 C ALA A 91 12.954 -11.870 -7.928 1.00 0.00 C ATOM 1398 O ALA A 91 12.348 -11.899 -6.852 1.00 0.00 O ATOM 1399 CB ALA A 91 14.332 -14.014 -8.020 1.00 0.00 C ATOM 0 H ALA A 91 14.223 -13.694 -10.420 1.00 0.00 H new ATOM 0 HA ALA A 91 12.230 -13.605 -8.534 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.222 -13.989 -6.936 1.00 0.00 H new ATOM 0 HB2 ALA A 91 14.258 -15.044 -8.368 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.305 -13.607 -8.296 1.00 0.00 H new ATOM 1405 N SER A 92 13.346 -10.739 -8.481 1.00 0.00 N ATOM 1406 CA SER A 92 12.858 -9.444 -7.994 1.00 0.00 C ATOM 1407 C SER A 92 12.486 -8.479 -9.129 1.00 0.00 C ATOM 1408 O SER A 92 12.090 -7.339 -8.884 1.00 0.00 O ATOM 1409 CB SER A 92 13.861 -8.814 -7.018 1.00 0.00 C ATOM 1410 OG SER A 92 15.104 -8.566 -7.657 1.00 0.00 O ATOM 0 H SER A 92 13.997 -10.680 -9.264 1.00 0.00 H new ATOM 0 HA SER A 92 11.932 -9.638 -7.452 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.456 -7.881 -6.627 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.012 -9.478 -6.167 1.00 0.00 H new ATOM 0 HG SER A 92 15.727 -8.163 -7.016 1.00 0.00 H new ATOM 1416 N THR A 93 12.588 -8.959 -10.371 1.00 0.00 N ATOM 1417 CA THR A 93 12.630 -8.142 -11.601 1.00 0.00 C ATOM 1418 C THR A 93 11.308 -7.944 -12.363 1.00 0.00 C ATOM 1419 O THR A 93 11.236 -7.062 -13.215 1.00 0.00 O ATOM 1420 CB THR A 93 13.655 -8.772 -12.574 1.00 0.00 C ATOM 1421 OG1 THR A 93 14.796 -9.225 -11.868 1.00 0.00 O ATOM 1422 CG2 THR A 93 14.191 -7.824 -13.650 1.00 0.00 C ATOM 0 H THR A 93 12.646 -9.959 -10.562 1.00 0.00 H new ATOM 0 HA THR A 93 12.900 -7.145 -11.252 1.00 0.00 H new ATOM 0 HB THR A 93 13.095 -9.574 -13.056 1.00 0.00 H new ATOM 0 HG1 THR A 93 14.928 -10.181 -12.038 1.00 0.00 H new ATOM 0 HG21 THR A 93 14.902 -8.356 -14.282 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.364 -7.461 -14.260 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.690 -6.979 -13.175 1.00 0.00 H new ATOM 1430 N THR A 94 10.248 -8.706 -12.071 1.00 0.00 N ATOM 1431 CA THR A 94 9.074 -8.780 -12.975 1.00 0.00 C ATOM 1432 C THR A 94 7.734 -8.465 -12.341 1.00 0.00 C ATOM 1433 O THR A 94 6.891 -7.853 -12.995 1.00 0.00 O ATOM 1434 CB THR A 94 9.021 -10.130 -13.691 1.00 0.00 C ATOM 1435 OG1 THR A 94 10.305 -10.520 -14.139 1.00 0.00 O ATOM 1436 CG2 THR A 94 8.072 -10.080 -14.883 1.00 0.00 C ATOM 0 H THR A 94 10.170 -9.277 -11.229 1.00 0.00 H new ATOM 0 HA THR A 94 9.238 -7.977 -13.694 1.00 0.00 H new ATOM 0 HB THR A 94 8.655 -10.862 -12.970 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.293 -10.626 -15.113 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.053 -11.053 -15.374 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.069 -9.828 -14.539 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.414 -9.324 -15.589 1.00 0.00 H new ATOM 1444 N GLU A 95 7.622 -8.736 -11.043 1.00 0.00 N ATOM 1445 CA GLU A 95 6.481 -8.457 -10.180 1.00 0.00 C ATOM 1446 C GLU A 95 5.191 -9.162 -10.639 1.00 0.00 C ATOM 1447 O GLU A 95 4.713 -9.020 -11.764 1.00 0.00 O ATOM 1448 CB GLU A 95 6.309 -6.937 -10.013 1.00 0.00 C ATOM 1449 CG GLU A 95 7.604 -6.126 -10.108 1.00 0.00 C ATOM 1450 CD GLU A 95 7.488 -4.713 -9.509 1.00 0.00 C ATOM 1451 OE1 GLU A 95 6.668 -3.900 -9.995 1.00 0.00 O ATOM 1452 OE2 GLU A 95 8.255 -4.412 -8.564 1.00 0.00 O ATOM 0 H GLU A 95 8.380 -9.188 -10.532 1.00 0.00 H new ATOM 0 HA GLU A 95 6.690 -8.882 -9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.617 -6.579 -10.775 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.846 -6.743 -9.045 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.400 -6.666 -9.595 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.897 -6.046 -11.155 1.00 0.00 H new ATOM 1459 N LEU A 96 4.653 -9.985 -9.744 1.00 0.00 N ATOM 1460 CA LEU A 96 3.595 -10.954 -10.080 1.00 0.00 C ATOM 1461 C LEU A 96 2.161 -10.457 -9.883 1.00 0.00 C ATOM 1462 O LEU A 96 1.280 -10.772 -10.681 1.00 0.00 O ATOM 1463 CB LEU A 96 3.776 -12.218 -9.242 1.00 0.00 C ATOM 1464 CG LEU A 96 5.187 -12.833 -9.275 1.00 0.00 C ATOM 1465 CD1 LEU A 96 5.357 -13.816 -8.130 1.00 0.00 C ATOM 1466 CD2 LEU A 96 5.451 -13.544 -10.597 1.00 0.00 C ATOM 0 H LEU A 96 4.933 -10.005 -8.763 1.00 0.00 H new ATOM 0 HA LEU A 96 3.714 -11.137 -11.148 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.522 -11.988 -8.207 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.063 -12.967 -9.586 1.00 0.00 H new ATOM 0 HG LEU A 96 5.906 -12.020 -9.170 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.359 -14.244 -8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.216 -13.298 -7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.619 -14.612 -8.222 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.455 -13.967 -10.588 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.722 -14.343 -10.732 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.365 -12.831 -11.417 1.00 0.00 H new ATOM 1478 N VAL A 97 1.938 -9.704 -8.805 1.00 0.00 N ATOM 1479 CA VAL A 97 0.671 -9.109 -8.336 1.00 0.00 C ATOM 1480 C VAL A 97 0.953 -8.327 -7.044 1.00 0.00 C ATOM 1481 O VAL A 97 2.072 -8.376 -6.533 1.00 0.00 O ATOM 1482 CB VAL A 97 -0.444 -10.160 -8.156 1.00 0.00 C ATOM 1483 CG1 VAL A 97 -0.160 -11.197 -7.093 1.00 0.00 C ATOM 1484 CG2 VAL A 97 -1.792 -9.549 -7.785 1.00 0.00 C ATOM 0 H VAL A 97 2.706 -9.470 -8.176 1.00 0.00 H new ATOM 0 HA VAL A 97 0.292 -8.426 -9.096 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.476 -10.629 -9.139 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.995 -11.895 -7.034 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.750 -11.740 -7.348 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.030 -10.704 -6.129 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.532 -10.341 -7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.698 -9.005 -6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.110 -8.864 -8.571 1.00 0.00 H new ATOM 1494 N ARG A 98 -0.044 -7.643 -6.481 1.00 0.00 N ATOM 1495 CA ARG A 98 -0.008 -7.034 -5.149 1.00 0.00 C ATOM 1496 C ARG A 98 -0.892 -7.747 -4.122 1.00 0.00 C ATOM 1497 O ARG A 98 -2.018 -8.106 -4.471 1.00 0.00 O ATOM 1498 CB ARG A 98 -0.352 -5.539 -5.270 1.00 0.00 C ATOM 1499 CG ARG A 98 -1.783 -5.323 -5.781 1.00 0.00 C ATOM 1500 CD ARG A 98 -2.055 -3.830 -5.971 1.00 0.00 C ATOM 1501 NE ARG A 98 -3.371 -3.590 -6.592 1.00 0.00 N ATOM 1502 CZ ARG A 98 -3.699 -3.727 -7.868 1.00 0.00 C ATOM 1503 NH1 ARG A 98 -2.854 -4.105 -8.784 1.00 0.00 N ATOM 1504 NH2 ARG A 98 -4.919 -3.512 -8.252 1.00 0.00 N ATOM 0 H ARG A 98 -0.933 -7.492 -6.958 1.00 0.00 H new ATOM 0 HA ARG A 98 1.004 -7.145 -4.760 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.237 -5.060 -4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.353 -5.058 -5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.923 -5.849 -6.725 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.497 -5.743 -5.073 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.011 -3.326 -5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.274 -3.394 -6.594 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.115 -3.283 -5.966 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.887 -4.311 -8.532 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.159 -4.195 -9.753 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.627 -3.237 -7.571 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -5.170 -3.618 -9.235 1.00 0.00 H new ATOM 1518 N VAL A 99 -0.444 -7.892 -2.868 1.00 0.00 N ATOM 1519 CA VAL A 99 -1.248 -8.488 -1.777 1.00 0.00 C ATOM 1520 C VAL A 99 -1.523 -7.401 -0.751 1.00 0.00 C ATOM 1521 O VAL A 99 -0.637 -6.601 -0.435 1.00 0.00 O ATOM 1522 CB VAL A 99 -0.562 -9.719 -1.132 1.00 0.00 C ATOM 1523 CG1 VAL A 99 -1.597 -10.553 -0.368 1.00 0.00 C ATOM 1524 CG2 VAL A 99 0.078 -10.647 -2.168 1.00 0.00 C ATOM 0 H VAL A 99 0.488 -7.600 -2.574 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.184 -8.864 -2.189 1.00 0.00 H new ATOM 0 HB VAL A 99 0.213 -9.325 -0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.108 -11.416 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.050 -9.943 0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.370 -10.893 -1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.544 -11.492 -1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.688 -11.012 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.835 -10.099 -2.729 1.00 0.00 H new ATOM 1534 N THR A 100 -2.762 -7.294 -0.277 1.00 0.00 N ATOM 1535 CA THR A 100 -3.194 -6.165 0.545 1.00 0.00 C ATOM 1536 C THR A 100 -4.135 -6.594 1.671 1.00 0.00 C ATOM 1537 O THR A 100 -5.242 -7.068 1.436 1.00 0.00 O ATOM 1538 CB THR A 100 -3.683 -5.030 -0.380 1.00 0.00 C ATOM 1539 OG1 THR A 100 -3.312 -3.789 0.182 1.00 0.00 O ATOM 1540 CG2 THR A 100 -5.178 -4.993 -0.688 1.00 0.00 C ATOM 0 H THR A 100 -3.493 -7.984 -0.451 1.00 0.00 H new ATOM 0 HA THR A 100 -2.357 -5.747 1.104 1.00 0.00 H new ATOM 0 HB THR A 100 -3.202 -5.232 -1.337 1.00 0.00 H new ATOM 0 HG1 THR A 100 -3.617 -3.062 -0.400 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.393 -4.151 -1.346 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.472 -5.921 -1.178 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.738 -4.880 0.240 1.00 0.00 H new ATOM 1548 N ASN A 101 -3.666 -6.535 2.919 1.00 0.00 N ATOM 1549 CA ASN A 101 -4.405 -7.040 4.076 1.00 0.00 C ATOM 1550 C ASN A 101 -5.725 -6.269 4.301 1.00 0.00 C ATOM 1551 O ASN A 101 -5.779 -5.044 4.166 1.00 0.00 O ATOM 1552 CB ASN A 101 -3.467 -7.021 5.290 1.00 0.00 C ATOM 1553 CG ASN A 101 -4.013 -7.773 6.503 1.00 0.00 C ATOM 1554 OD1 ASN A 101 -5.153 -8.201 6.562 1.00 0.00 O ATOM 1555 ND2 ASN A 101 -3.213 -7.951 7.524 1.00 0.00 N ATOM 0 H ASN A 101 -2.759 -6.134 3.156 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.720 -8.069 3.901 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.510 -7.457 5.005 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.274 -5.986 5.572 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.546 -8.442 8.354 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -2.256 -7.599 7.490 1.00 0.00 H new ATOM 1562 N LEU A 102 -6.782 -7.003 4.654 1.00 0.00 N ATOM 1563 CA LEU A 102 -8.111 -6.493 4.995 1.00 0.00 C ATOM 1564 C LEU A 102 -8.087 -5.592 6.244 1.00 0.00 C ATOM 1565 O LEU A 102 -8.444 -4.417 6.149 1.00 0.00 O ATOM 1566 CB LEU A 102 -9.044 -7.712 5.175 1.00 0.00 C ATOM 1567 CG LEU A 102 -9.513 -8.348 3.856 1.00 0.00 C ATOM 1568 CD1 LEU A 102 -10.152 -9.710 4.134 1.00 0.00 C ATOM 1569 CD2 LEU A 102 -10.558 -7.468 3.164 1.00 0.00 C ATOM 0 H LEU A 102 -6.731 -8.020 4.713 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.481 -5.855 4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.526 -8.468 5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.919 -7.404 5.748 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.641 -8.456 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.482 -10.155 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.421 -10.365 4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.009 -9.582 4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.873 -7.941 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.421 -7.345 3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.125 -6.492 2.947 1.00 0.00 H new ATOM 1581 N ASN A 103 -7.651 -6.117 7.398 1.00 0.00 N ATOM 1582 CA ASN A 103 -7.400 -5.358 8.634 1.00 0.00 C ATOM 1583 C ASN A 103 -6.112 -5.861 9.347 1.00 0.00 C ATOM 1584 O ASN A 103 -5.770 -7.041 9.239 1.00 0.00 O ATOM 1585 CB ASN A 103 -8.612 -5.456 9.586 1.00 0.00 C ATOM 1586 CG ASN A 103 -9.952 -5.071 8.973 1.00 0.00 C ATOM 1587 OD1 ASN A 103 -10.225 -3.913 8.688 1.00 0.00 O ATOM 1588 ND2 ASN A 103 -10.855 -6.010 8.782 1.00 0.00 N ATOM 0 H ASN A 103 -7.457 -7.113 7.501 1.00 0.00 H new ATOM 0 HA ASN A 103 -7.252 -4.313 8.362 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.681 -6.479 9.956 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.428 -4.816 10.449 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.770 -5.768 8.401 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.640 -6.979 9.015 1.00 0.00 H new ATOM 1595 N PRO A 104 -5.426 -5.036 10.161 1.00 0.00 N ATOM 1596 CA PRO A 104 -4.121 -5.384 10.733 1.00 0.00 C ATOM 1597 C PRO A 104 -4.183 -6.300 11.961 1.00 0.00 C ATOM 1598 O PRO A 104 -3.181 -6.856 12.414 1.00 0.00 O ATOM 1599 CB PRO A 104 -3.470 -4.029 11.036 1.00 0.00 C ATOM 1600 CG PRO A 104 -4.658 -3.126 11.385 1.00 0.00 C ATOM 1601 CD PRO A 104 -5.834 -3.707 10.586 1.00 0.00 C ATOM 0 HA PRO A 104 -3.540 -5.985 10.034 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -2.764 -4.100 11.864 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.917 -3.649 10.177 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -4.863 -3.136 12.456 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.463 -2.090 11.107 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.734 -3.755 11.199 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.067 -3.079 9.726 1.00 0.00 H new ATOM 1609 N ILE A 105 -5.397 -6.496 12.462 1.00 0.00 N ATOM 1610 CA ILE A 105 -5.719 -7.379 13.596 1.00 0.00 C ATOM 1611 C ILE A 105 -5.473 -8.857 13.302 1.00 0.00 C ATOM 1612 O ILE A 105 -5.190 -9.631 14.212 1.00 0.00 O ATOM 1613 CB ILE A 105 -7.157 -7.138 14.110 1.00 0.00 C ATOM 1614 CG1 ILE A 105 -8.210 -7.288 12.992 1.00 0.00 C ATOM 1615 CG2 ILE A 105 -7.243 -5.747 14.763 1.00 0.00 C ATOM 1616 CD1 ILE A 105 -9.649 -7.427 13.510 1.00 0.00 C ATOM 0 H ILE A 105 -6.221 -6.031 12.081 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.024 -7.111 14.392 1.00 0.00 H new ATOM 0 HB ILE A 105 -7.382 -7.903 14.853 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -8.153 -6.421 12.334 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.965 -8.163 12.390 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -8.257 -5.577 15.125 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.545 -5.694 15.599 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.988 -4.984 14.028 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.331 -7.528 12.666 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.724 -8.310 14.145 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -9.915 -6.542 14.088 1.00 0.00 H new ATOM 1628 N TYR A 106 -5.486 -9.233 12.023 1.00 0.00 N ATOM 1629 CA TYR A 106 -5.221 -10.584 11.527 1.00 0.00 C ATOM 1630 C TYR A 106 -3.734 -10.999 11.579 1.00 0.00 C ATOM 1631 O TYR A 106 -3.373 -12.077 11.099 1.00 0.00 O ATOM 1632 CB TYR A 106 -5.780 -10.637 10.098 1.00 0.00 C ATOM 1633 CG TYR A 106 -7.256 -10.281 9.953 1.00 0.00 C ATOM 1634 CD1 TYR A 106 -8.206 -10.670 10.922 1.00 0.00 C ATOM 1635 CD2 TYR A 106 -7.673 -9.510 8.847 1.00 0.00 C ATOM 1636 CE1 TYR A 106 -9.546 -10.241 10.820 1.00 0.00 C ATOM 1637 CE2 TYR A 106 -9.010 -9.084 8.747 1.00 0.00 C ATOM 1638 CZ TYR A 106 -9.948 -9.436 9.736 1.00 0.00 C ATOM 1639 OH TYR A 106 -11.222 -8.966 9.641 1.00 0.00 O ATOM 0 H TYR A 106 -5.691 -8.575 11.271 1.00 0.00 H new ATOM 0 HA TYR A 106 -5.709 -11.308 12.179 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.198 -9.958 9.474 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -5.627 -11.642 9.704 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.905 -11.300 11.746 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -6.964 -9.246 8.076 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.264 -10.530 11.573 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.319 -8.482 7.905 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.593 -8.843 10.540 1.00 0.00 H new ATOM 1649 N ALA A 107 -2.856 -10.171 12.163 1.00 0.00 N ATOM 1650 CA ALA A 107 -1.423 -10.446 12.335 1.00 0.00 C ATOM 1651 C ALA A 107 -0.841 -9.980 13.680 1.00 0.00 C ATOM 1652 O ALA A 107 0.101 -10.601 14.172 1.00 0.00 O ATOM 1653 CB ALA A 107 -0.673 -9.806 11.156 1.00 0.00 C ATOM 0 H ALA A 107 -3.132 -9.264 12.540 1.00 0.00 H new ATOM 0 HA ALA A 107 -1.293 -11.528 12.346 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.396 -9.995 11.259 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.030 -10.237 10.221 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.852 -8.731 11.151 1.00 0.00 H new ATOM 1659 N ASP A 108 -1.399 -8.941 14.309 1.00 0.00 N ATOM 1660 CA ASP A 108 -0.910 -8.436 15.599 1.00 0.00 C ATOM 1661 C ASP A 108 -2.018 -7.783 16.467 1.00 0.00 C ATOM 1662 O ASP A 108 -1.762 -6.838 17.218 1.00 0.00 O ATOM 1663 CB ASP A 108 0.276 -7.483 15.335 1.00 0.00 C ATOM 1664 CG ASP A 108 1.072 -7.093 16.595 1.00 0.00 C ATOM 1665 OD1 ASP A 108 1.291 -7.954 17.481 1.00 0.00 O ATOM 1666 OD2 ASP A 108 1.524 -5.926 16.688 1.00 0.00 O ATOM 0 H ASP A 108 -2.200 -8.427 13.941 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.570 -9.282 16.196 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.954 -7.955 14.623 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.101 -6.576 14.863 1.00 0.00 H new ATOM 1671 N GLY A 109 -3.272 -8.235 16.341 1.00 0.00 N ATOM 1672 CA GLY A 109 -4.437 -7.603 16.979 1.00 0.00 C ATOM 1673 C GLY A 109 -4.421 -7.601 18.516 1.00 0.00 C ATOM 1674 O GLY A 109 -4.679 -6.563 19.130 1.00 0.00 O ATOM 0 H GLY A 109 -3.510 -9.058 15.788 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.507 -6.572 16.631 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.338 -8.115 16.642 1.00 0.00 H new ATOM 1678 N SER A 110 -4.111 -8.744 19.139 1.00 0.00 N ATOM 1679 CA SER A 110 -4.078 -8.893 20.612 1.00 0.00 C ATOM 1680 C SER A 110 -3.374 -10.159 21.123 1.00 0.00 C ATOM 1681 O SER A 110 -2.694 -10.104 22.151 1.00 0.00 O ATOM 1682 CB SER A 110 -5.505 -8.863 21.184 1.00 0.00 C ATOM 1683 OG SER A 110 -6.326 -9.837 20.559 1.00 0.00 O ATOM 0 H SER A 110 -3.873 -9.601 18.639 1.00 0.00 H new ATOM 0 HA SER A 110 -3.486 -8.046 20.961 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.473 -9.045 22.258 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.937 -7.873 21.041 1.00 0.00 H new ATOM 0 HG SER A 110 -7.228 -9.799 20.941 1.00 0.00 H new ATOM 1689 N HIS A 111 -3.490 -11.288 20.415 1.00 0.00 N ATOM 1690 CA HIS A 111 -2.959 -12.609 20.826 1.00 0.00 C ATOM 1691 C HIS A 111 -2.336 -13.414 19.667 1.00 0.00 C ATOM 1692 O HIS A 111 -1.901 -14.555 19.844 1.00 0.00 O ATOM 1693 CB HIS A 111 -4.099 -13.401 21.496 1.00 0.00 C ATOM 1694 CG HIS A 111 -5.265 -13.705 20.574 1.00 0.00 C ATOM 1695 ND1 HIS A 111 -5.250 -14.616 19.515 1.00 0.00 N ATOM 1696 CD2 HIS A 111 -6.493 -13.111 20.625 1.00 0.00 C ATOM 1697 CE1 HIS A 111 -6.466 -14.543 18.946 1.00 0.00 C ATOM 1698 NE2 HIS A 111 -7.231 -13.650 19.595 1.00 0.00 N ATOM 0 H HIS A 111 -3.968 -11.317 19.514 1.00 0.00 H new ATOM 0 HA HIS A 111 -2.141 -12.439 21.526 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.699 -14.339 21.880 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -4.465 -12.836 22.353 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -6.821 -12.365 21.334 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -6.782 -15.120 18.090 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -8.195 -13.411 19.364 1.00 0.00 H new ATOM 1706 N HIS A 112 -2.285 -12.812 18.478 1.00 0.00 N ATOM 1707 CA HIS A 112 -1.954 -13.427 17.185 1.00 0.00 C ATOM 1708 C HIS A 112 -0.491 -13.881 17.034 1.00 0.00 C ATOM 1709 O HIS A 112 -0.110 -14.441 16.010 1.00 0.00 O ATOM 1710 CB HIS A 112 -2.384 -12.446 16.082 1.00 0.00 C ATOM 1711 CG HIS A 112 -3.839 -12.057 16.224 1.00 0.00 C ATOM 1712 ND1 HIS A 112 -4.339 -11.124 17.145 1.00 0.00 N ATOM 1713 CD2 HIS A 112 -4.888 -12.661 15.595 1.00 0.00 C ATOM 1714 CE1 HIS A 112 -5.679 -11.186 17.038 1.00 0.00 C ATOM 1715 NE2 HIS A 112 -6.032 -12.095 16.113 1.00 0.00 N ATOM 0 H HIS A 112 -2.486 -11.817 18.383 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.503 -14.365 17.106 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -1.761 -11.552 16.125 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -2.221 -12.901 15.105 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -4.833 -13.431 14.840 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.372 -10.590 17.613 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -6.987 -12.327 15.840 1.00 0.00 H new ATOM 1723 N HIS A 113 0.320 -13.714 18.078 1.00 0.00 N ATOM 1724 CA HIS A 113 1.689 -14.233 18.225 1.00 0.00 C ATOM 1725 C HIS A 113 1.782 -15.773 18.175 1.00 0.00 C ATOM 1726 O HIS A 113 2.872 -16.326 18.022 1.00 0.00 O ATOM 1727 CB HIS A 113 2.272 -13.676 19.533 1.00 0.00 C ATOM 1728 CG HIS A 113 1.929 -12.215 19.731 1.00 0.00 C ATOM 1729 ND1 HIS A 113 0.917 -11.726 20.567 1.00 0.00 N ATOM 1730 CD2 HIS A 113 2.361 -11.198 18.929 1.00 0.00 C ATOM 1731 CE1 HIS A 113 0.787 -10.422 20.266 1.00 0.00 C ATOM 1732 NE2 HIS A 113 1.632 -10.084 19.279 1.00 0.00 N ATOM 0 H HIS A 113 0.025 -13.181 18.896 1.00 0.00 H new ATOM 0 HA HIS A 113 2.273 -13.897 17.369 1.00 0.00 H new ATOM 0 HB2 HIS A 113 1.892 -14.255 20.375 1.00 0.00 H new ATOM 0 HB3 HIS A 113 3.355 -13.796 19.527 1.00 0.00 H new ATOM 0 HD2 HIS A 113 3.126 -11.256 18.168 1.00 0.00 H new ATOM 0 HE1 HIS A 113 0.100 -9.743 20.750 1.00 0.00 H new ATOM 0 HE2 HIS A 113 1.719 -9.158 18.859 1.00 0.00 H new ATOM 1740 N HIS A 114 0.634 -16.455 18.247 1.00 0.00 N ATOM 1741 CA HIS A 114 0.459 -17.908 18.065 1.00 0.00 C ATOM 1742 C HIS A 114 -0.430 -18.250 16.842 1.00 0.00 C ATOM 1743 O HIS A 114 -0.918 -19.376 16.705 1.00 0.00 O ATOM 1744 CB HIS A 114 -0.081 -18.510 19.374 1.00 0.00 C ATOM 1745 CG HIS A 114 0.792 -18.229 20.575 1.00 0.00 C ATOM 1746 ND1 HIS A 114 0.485 -17.364 21.632 1.00 0.00 N ATOM 1747 CD2 HIS A 114 2.028 -18.767 20.795 1.00 0.00 C ATOM 1748 CE1 HIS A 114 1.546 -17.401 22.457 1.00 0.00 C ATOM 1749 NE2 HIS A 114 2.489 -18.231 21.980 1.00 0.00 N ATOM 0 H HIS A 114 -0.250 -15.986 18.445 1.00 0.00 H new ATOM 0 HA HIS A 114 1.427 -18.357 17.842 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -1.080 -18.115 19.561 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.182 -19.589 19.253 1.00 0.00 H new ATOM 0 HD2 HIS A 114 2.545 -19.475 20.164 1.00 0.00 H new ATOM 0 HE1 HIS A 114 1.629 -16.841 23.377 1.00 0.00 H new ATOM 0 HE2 HIS A 114 3.389 -18.430 22.418 1.00 0.00 H new ATOM 1757 N HIS A 115 -0.634 -17.279 15.942 1.00 0.00 N ATOM 1758 CA HIS A 115 -1.453 -17.353 14.716 1.00 0.00 C ATOM 1759 C HIS A 115 -0.705 -16.833 13.466 1.00 0.00 C ATOM 1760 O HIS A 115 -1.196 -16.979 12.344 1.00 0.00 O ATOM 1761 CB HIS A 115 -2.744 -16.548 14.964 1.00 0.00 C ATOM 1762 CG HIS A 115 -3.740 -16.534 13.831 1.00 0.00 C ATOM 1763 ND1 HIS A 115 -4.015 -15.439 13.002 1.00 0.00 N ATOM 1764 CD2 HIS A 115 -4.581 -17.556 13.501 1.00 0.00 C ATOM 1765 CE1 HIS A 115 -5.024 -15.825 12.204 1.00 0.00 C ATOM 1766 NE2 HIS A 115 -5.377 -17.095 12.472 1.00 0.00 N ATOM 0 H HIS A 115 -0.206 -16.360 16.054 1.00 0.00 H new ATOM 0 HA HIS A 115 -1.684 -18.397 14.505 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -3.236 -16.951 15.849 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.469 -15.518 15.193 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -4.617 -18.535 13.956 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -5.487 -15.203 11.452 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -6.107 -17.626 11.997 1.00 0.00 H new ATOM 1774 N HIS A 116 0.486 -16.242 13.639 1.00 0.00 N ATOM 1775 CA HIS A 116 1.247 -15.508 12.621 1.00 0.00 C ATOM 1776 C HIS A 116 2.755 -15.800 12.696 1.00 0.00 C ATOM 1777 O HIS A 116 3.358 -15.618 13.781 1.00 0.00 O ATOM 1778 CB HIS A 116 0.948 -14.008 12.789 1.00 0.00 C ATOM 1779 CG HIS A 116 1.347 -13.192 11.591 1.00 0.00 C ATOM 1780 ND1 HIS A 116 0.597 -13.078 10.419 1.00 0.00 N ATOM 1781 CD2 HIS A 116 2.495 -12.467 11.458 1.00 0.00 C ATOM 1782 CE1 HIS A 116 1.315 -12.285 9.605 1.00 0.00 C ATOM 1783 NE2 HIS A 116 2.460 -11.907 10.197 1.00 0.00 N ATOM 1784 OXT HIS A 116 3.322 -16.239 11.671 1.00 0.00 O ATOM 0 H HIS A 116 0.967 -16.265 14.538 1.00 0.00 H new ATOM 0 HA HIS A 116 0.935 -15.839 11.630 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -0.118 -13.874 12.974 1.00 0.00 H new ATOM 0 HB3 HIS A 116 1.474 -13.634 13.668 1.00 0.00 H new ATOM 0 HD2 HIS A 116 3.277 -12.354 12.194 1.00 0.00 H new ATOM 0 HE1 HIS A 116 1.013 -11.992 8.611 1.00 0.00 H new ATOM 0 HE2 HIS A 116 3.178 -11.310 9.786 1.00 0.00 H new TER 1792 HIS A 116