USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 703 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 3 SER OG : rot -74:sc= 1.23 USER MOD Set 1.2: A 74 ASN : amide:sc= 1.03 K(o=2.3,f=-4.3!) USER MOD Set 2.1: A 65 ASN : amide:sc= -2.72 K(o=-2.7,f=-3.5!) USER MOD Set 2.2: A 70 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 20 ASN : amide:sc= -0.637 K(o=-4.6,f=-4.1) USER MOD Set 3.2: A 22 GLN : amide:sc= -4! C(o=-4.6!,f=-8.1!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.841 K(o=-0.84,f=-0.12) USER MOD Single : A 10 ASN : amide:sc= -4! C(o=-4!,f=-2.9!) USER MOD Single : A 11 MET CE :methyl -140:sc= -0.665 (180deg=-3.99!) USER MOD Single : A 12 GLN : amide:sc= 0.573 K(o=0.57,f=-6.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -153:sc= 1.44 USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= -1.83! (180deg=-2.3!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.554 USER MOD Single : A 33 GLN : amide:sc= -2.04! K(o=-2!,f=-0.73) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -120:sc= -2.41! (180deg=-5.57!) USER MOD Single : A 42 HIS : no HD1:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 45 THR OG1 : rot -61:sc= -0.457 USER MOD Single : A 47 MET CE :methyl 127:sc= -0.25 (180deg=-1.38) USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= 1.48 (180deg=1.27) USER MOD Single : A 52 GLN : amide:sc= -4.42! C(o=-4.4!,f=-15!) USER MOD Single : A 53 LYS NZ :NH3+ -136:sc= -2.14! (180deg=-6.17!) USER MOD Single : A 55 GLN : amide:sc= -0.957 X(o=-0.96,f=-0.96) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -44:sc= 0.184 USER MOD Single : A 66 SER OG : rot -110:sc= -0.326 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.23! K(o=-1.2!,f=-0.018) USER MOD Single : A 72 MET CE :methyl 171:sc= -1.46 (180deg=-1.61) USER MOD Single : A 79 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.033) USER MOD Single : A 83 LYS NZ :NH3+ 157:sc= 1.22 (180deg=0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.661 -0.941 -0.766 1.00 0.00 N ATOM 2 CA PRO A 1 1.687 -0.817 -1.827 1.00 0.00 C ATOM 3 C PRO A 1 1.762 -2.110 -2.630 1.00 0.00 C ATOM 4 O PRO A 1 0.991 -3.038 -2.387 1.00 0.00 O ATOM 5 CB PRO A 1 3.026 -0.510 -1.181 1.00 0.00 C ATOM 6 CG PRO A 1 2.808 -0.880 0.240 1.00 0.00 C ATOM 7 CD PRO A 1 1.340 -0.643 0.512 1.00 0.00 C ATOM 0 H2 PRO A 1 0.262 -1.880 -0.755 1.00 0.00 H new ATOM 0 H3 PRO A 1 -0.109 -0.292 -0.928 1.00 0.00 H new ATOM 0 HA PRO A 1 1.423 -0.008 -2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.832 -1.091 -1.629 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.293 0.541 -1.287 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.074 -1.922 0.417 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.430 -0.275 0.900 1.00 0.00 H new ATOM 0 HD2 PRO A 1 0.977 -1.289 1.311 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.158 0.385 0.825 1.00 0.00 H new ATOM 17 N VAL A 2 2.688 -2.178 -3.581 1.00 0.00 N ATOM 18 CA VAL A 2 2.832 -3.366 -4.414 1.00 0.00 C ATOM 19 C VAL A 2 4.278 -3.833 -4.413 1.00 0.00 C ATOM 20 O VAL A 2 5.188 -3.055 -4.121 1.00 0.00 O ATOM 21 CB VAL A 2 2.377 -3.120 -5.873 1.00 0.00 C ATOM 22 CG1 VAL A 2 0.936 -2.631 -5.917 1.00 0.00 C ATOM 23 CG2 VAL A 2 3.303 -2.137 -6.575 1.00 0.00 C ATOM 0 H VAL A 2 3.347 -1.429 -3.793 1.00 0.00 H new ATOM 0 HA VAL A 2 2.188 -4.134 -3.987 1.00 0.00 H new ATOM 0 HB VAL A 2 2.429 -4.070 -6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.639 -2.465 -6.953 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.284 -3.380 -5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.852 -1.697 -5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.961 -1.982 -7.598 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.296 -1.186 -6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.317 -2.538 -6.588 1.00 0.00 H new ATOM 33 N SER A 3 4.494 -5.099 -4.726 1.00 0.00 N ATOM 34 CA SER A 3 5.839 -5.633 -4.741 1.00 0.00 C ATOM 35 C SER A 3 6.467 -5.442 -6.114 1.00 0.00 C ATOM 36 O SER A 3 5.897 -5.825 -7.138 1.00 0.00 O ATOM 37 CB SER A 3 5.852 -7.112 -4.335 1.00 0.00 C ATOM 38 OG SER A 3 5.121 -7.907 -5.250 1.00 0.00 O ATOM 0 H SER A 3 3.763 -5.767 -4.970 1.00 0.00 H new ATOM 0 HA SER A 3 6.432 -5.085 -4.009 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.881 -7.467 -4.284 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.427 -7.220 -3.337 1.00 0.00 H new ATOM 0 HG SER A 3 4.161 -7.763 -5.114 1.00 0.00 H new ATOM 44 N ILE A 4 7.626 -4.821 -6.125 1.00 0.00 N ATOM 45 CA ILE A 4 8.367 -4.584 -7.348 1.00 0.00 C ATOM 46 C ILE A 4 9.751 -5.203 -7.261 1.00 0.00 C ATOM 47 O ILE A 4 10.442 -5.076 -6.251 1.00 0.00 O ATOM 48 CB ILE A 4 8.496 -3.084 -7.662 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.603 -2.263 -6.378 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.326 -2.616 -8.508 1.00 0.00 C ATOM 51 CD1 ILE A 4 8.815 -0.785 -6.621 1.00 0.00 C ATOM 0 H ILE A 4 8.083 -4.465 -5.286 1.00 0.00 H new ATOM 0 HA ILE A 4 7.806 -5.053 -8.156 1.00 0.00 H new ATOM 0 HB ILE A 4 9.413 -2.933 -8.231 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.694 -2.400 -5.792 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.429 -2.647 -5.779 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.433 -1.552 -8.721 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.308 -3.173 -9.444 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.395 -2.786 -7.967 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.882 -0.265 -5.665 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.739 -0.637 -7.180 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.977 -0.386 -7.193 1.00 0.00 H new ATOM 63 N LYS A 5 10.154 -5.875 -8.318 1.00 0.00 N ATOM 64 CA LYS A 5 11.391 -6.625 -8.302 1.00 0.00 C ATOM 65 C LYS A 5 12.328 -6.130 -9.380 1.00 0.00 C ATOM 66 O LYS A 5 11.892 -5.733 -10.456 1.00 0.00 O ATOM 67 CB LYS A 5 11.105 -8.108 -8.513 1.00 0.00 C ATOM 68 CG LYS A 5 9.922 -8.591 -7.703 1.00 0.00 C ATOM 69 CD LYS A 5 9.443 -9.956 -8.148 1.00 0.00 C ATOM 70 CE LYS A 5 7.935 -10.060 -8.009 1.00 0.00 C ATOM 71 NZ LYS A 5 7.438 -11.446 -8.215 1.00 0.00 N ATOM 0 H LYS A 5 9.643 -5.917 -9.200 1.00 0.00 H new ATOM 0 HA LYS A 5 11.867 -6.483 -7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.916 -8.291 -9.571 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.988 -8.687 -8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.197 -8.630 -6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.106 -7.874 -7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.732 -10.129 -9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.924 -10.730 -7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.640 -9.715 -7.018 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.460 -9.396 -8.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.404 -11.463 -8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.694 -11.768 -9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.868 -12.078 -7.510 1.00 0.00 H new ATOM 85 N VAL A 6 13.610 -6.163 -9.087 1.00 0.00 N ATOM 86 CA VAL A 6 14.621 -5.746 -10.036 1.00 0.00 C ATOM 87 C VAL A 6 15.628 -6.867 -10.233 1.00 0.00 C ATOM 88 O VAL A 6 16.415 -7.180 -9.334 1.00 0.00 O ATOM 89 CB VAL A 6 15.357 -4.464 -9.580 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.363 -4.019 -10.629 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.371 -3.344 -9.283 1.00 0.00 C ATOM 0 H VAL A 6 13.980 -6.478 -8.190 1.00 0.00 H new ATOM 0 HA VAL A 6 14.117 -5.520 -10.976 1.00 0.00 H new ATOM 0 HB VAL A 6 15.895 -4.697 -8.661 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.869 -3.116 -10.288 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.097 -4.809 -10.787 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.845 -3.813 -11.566 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.915 -2.455 -8.965 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.798 -3.116 -10.182 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.692 -3.657 -8.490 1.00 0.00 H new ATOM 101 N GLN A 7 15.572 -7.494 -11.393 1.00 0.00 N ATOM 102 CA GLN A 7 16.476 -8.577 -11.717 1.00 0.00 C ATOM 103 C GLN A 7 17.870 -8.029 -11.985 1.00 0.00 C ATOM 104 O GLN A 7 18.135 -7.467 -13.047 1.00 0.00 O ATOM 105 CB GLN A 7 15.968 -9.358 -12.933 1.00 0.00 C ATOM 106 CG GLN A 7 16.204 -10.854 -12.832 1.00 0.00 C ATOM 107 CD GLN A 7 17.673 -11.208 -12.859 1.00 0.00 C ATOM 108 OE1 GLN A 7 18.230 -11.543 -13.902 1.00 0.00 O ATOM 109 NE2 GLN A 7 18.317 -11.041 -11.728 1.00 0.00 N ATOM 0 H GLN A 7 14.904 -7.268 -12.130 1.00 0.00 H new ATOM 0 HA GLN A 7 16.522 -9.258 -10.868 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.900 -9.174 -13.053 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.460 -8.980 -13.829 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.760 -11.228 -11.909 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.697 -11.356 -13.656 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.809 -10.762 -10.888 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.325 -11.190 -11.688 1.00 0.00 H new ATOM 118 N VAL A 8 18.744 -8.189 -11.008 1.00 0.00 N ATOM 119 CA VAL A 8 20.113 -7.730 -11.116 1.00 0.00 C ATOM 120 C VAL A 8 20.918 -8.632 -12.049 1.00 0.00 C ATOM 121 O VAL A 8 20.891 -9.855 -11.912 1.00 0.00 O ATOM 122 CB VAL A 8 20.782 -7.679 -9.725 1.00 0.00 C ATOM 123 CG1 VAL A 8 22.268 -7.409 -9.835 1.00 0.00 C ATOM 124 CG2 VAL A 8 20.111 -6.631 -8.854 1.00 0.00 C ATOM 0 H VAL A 8 18.524 -8.640 -10.120 1.00 0.00 H new ATOM 0 HA VAL A 8 20.096 -6.724 -11.535 1.00 0.00 H new ATOM 0 HB VAL A 8 20.658 -8.656 -9.257 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.707 -7.380 -8.838 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.740 -8.201 -10.416 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.428 -6.451 -10.330 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.593 -6.607 -7.877 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.200 -5.653 -9.327 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.057 -6.880 -8.732 1.00 0.00 H new ATOM 134 N PRO A 9 21.637 -8.040 -13.015 1.00 0.00 N ATOM 135 CA PRO A 9 22.454 -8.797 -13.965 1.00 0.00 C ATOM 136 C PRO A 9 23.630 -9.493 -13.280 1.00 0.00 C ATOM 137 O PRO A 9 24.087 -9.070 -12.211 1.00 0.00 O ATOM 138 CB PRO A 9 22.949 -7.726 -14.946 1.00 0.00 C ATOM 139 CG PRO A 9 22.885 -6.451 -14.181 1.00 0.00 C ATOM 140 CD PRO A 9 21.712 -6.588 -13.254 1.00 0.00 C ATOM 0 HA PRO A 9 21.892 -9.597 -14.447 1.00 0.00 H new ATOM 0 HB2 PRO A 9 23.965 -7.936 -15.281 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.322 -7.685 -15.836 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.806 -6.283 -13.623 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.757 -5.600 -14.850 1.00 0.00 H new ATOM 0 HD2 PRO A 9 21.865 -6.035 -12.327 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.796 -6.207 -13.705 1.00 0.00 H new ATOM 148 N ASN A 10 24.109 -10.565 -13.892 1.00 0.00 N ATOM 149 CA ASN A 10 25.214 -11.339 -13.341 1.00 0.00 C ATOM 150 C ASN A 10 26.545 -10.693 -13.694 1.00 0.00 C ATOM 151 O ASN A 10 27.110 -10.969 -14.752 1.00 0.00 O ATOM 152 CB ASN A 10 25.183 -12.777 -13.874 1.00 0.00 C ATOM 153 CG ASN A 10 24.034 -13.604 -13.330 1.00 0.00 C ATOM 154 OD1 ASN A 10 22.938 -13.615 -13.893 1.00 0.00 O ATOM 155 ND2 ASN A 10 24.282 -14.319 -12.243 1.00 0.00 N ATOM 0 H ASN A 10 23.748 -10.922 -14.777 1.00 0.00 H new ATOM 0 HA ASN A 10 25.105 -11.360 -12.257 1.00 0.00 H new ATOM 0 HB2 ASN A 10 25.117 -12.751 -14.962 1.00 0.00 H new ATOM 0 HB3 ASN A 10 26.123 -13.268 -13.624 1.00 0.00 H new ATOM 0 HD21 ASN A 10 23.552 -14.907 -11.842 1.00 0.00 H new ATOM 0 HD22 ASN A 10 25.203 -14.282 -11.807 1.00 0.00 H new ATOM 162 N MET A 11 27.034 -9.808 -12.831 1.00 0.00 N ATOM 163 CA MET A 11 28.322 -9.160 -13.063 1.00 0.00 C ATOM 164 C MET A 11 29.073 -8.987 -11.757 1.00 0.00 C ATOM 165 O MET A 11 29.161 -7.886 -11.217 1.00 0.00 O ATOM 166 CB MET A 11 28.139 -7.806 -13.764 1.00 0.00 C ATOM 167 CG MET A 11 27.969 -7.925 -15.273 1.00 0.00 C ATOM 168 SD MET A 11 28.248 -6.374 -16.153 1.00 0.00 S ATOM 169 CE MET A 11 26.930 -5.359 -15.501 1.00 0.00 C ATOM 0 H MET A 11 26.563 -9.524 -11.972 1.00 0.00 H new ATOM 0 HA MET A 11 28.910 -9.802 -13.718 1.00 0.00 H new ATOM 0 HB2 MET A 11 27.267 -7.304 -13.346 1.00 0.00 H new ATOM 0 HB3 MET A 11 29.002 -7.175 -13.552 1.00 0.00 H new ATOM 0 HG2 MET A 11 28.661 -8.677 -15.651 1.00 0.00 H new ATOM 0 HG3 MET A 11 26.962 -8.281 -15.490 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.504 -4.756 -16.303 1.00 0.00 H new ATOM 0 HE2 MET A 11 26.155 -5.997 -15.076 1.00 0.00 H new ATOM 0 HE3 MET A 11 27.325 -4.703 -14.725 1.00 0.00 H new ATOM 179 N GLN A 12 29.646 -10.085 -11.281 1.00 0.00 N ATOM 180 CA GLN A 12 30.231 -10.144 -9.948 1.00 0.00 C ATOM 181 C GLN A 12 31.599 -9.490 -9.927 1.00 0.00 C ATOM 182 O GLN A 12 31.911 -8.673 -9.063 1.00 0.00 O ATOM 183 CB GLN A 12 30.368 -11.599 -9.486 1.00 0.00 C ATOM 184 CG GLN A 12 29.136 -12.441 -9.766 1.00 0.00 C ATOM 185 CD GLN A 12 29.112 -12.989 -11.177 1.00 0.00 C ATOM 186 OE1 GLN A 12 29.769 -12.478 -12.085 1.00 0.00 O ATOM 187 NE2 GLN A 12 28.320 -13.999 -11.393 1.00 0.00 N ATOM 0 H GLN A 12 29.718 -10.957 -11.806 1.00 0.00 H new ATOM 0 HA GLN A 12 29.566 -9.606 -9.272 1.00 0.00 H new ATOM 0 HB2 GLN A 12 31.227 -12.050 -9.982 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.574 -11.614 -8.416 1.00 0.00 H new ATOM 0 HG2 GLN A 12 29.098 -13.269 -9.058 1.00 0.00 H new ATOM 0 HG3 GLN A 12 28.243 -11.838 -9.599 1.00 0.00 H new ATOM 0 HE21 GLN A 12 27.787 -14.403 -10.623 1.00 0.00 H new ATOM 0 HE22 GLN A 12 28.232 -14.386 -12.332 1.00 0.00 H new ATOM 196 N ASP A 13 32.405 -9.860 -10.910 1.00 0.00 N ATOM 197 CA ASP A 13 33.748 -9.323 -11.057 1.00 0.00 C ATOM 198 C ASP A 13 33.875 -8.649 -12.403 1.00 0.00 C ATOM 199 O ASP A 13 34.940 -8.164 -12.780 1.00 0.00 O ATOM 200 CB ASP A 13 34.792 -10.434 -10.935 1.00 0.00 C ATOM 201 CG ASP A 13 34.874 -11.003 -9.538 1.00 0.00 C ATOM 202 OD1 ASP A 13 35.603 -10.427 -8.705 1.00 0.00 O ATOM 203 OD2 ASP A 13 34.219 -12.034 -9.271 1.00 0.00 O ATOM 0 H ASP A 13 32.147 -10.539 -11.626 1.00 0.00 H new ATOM 0 HA ASP A 13 33.924 -8.597 -10.263 1.00 0.00 H new ATOM 0 HB2 ASP A 13 34.550 -11.233 -11.635 1.00 0.00 H new ATOM 0 HB3 ASP A 13 35.768 -10.043 -11.222 1.00 0.00 H new ATOM 208 N LYS A 14 32.764 -8.627 -13.124 1.00 0.00 N ATOM 209 CA LYS A 14 32.738 -8.091 -14.474 1.00 0.00 C ATOM 210 C LYS A 14 32.740 -6.575 -14.413 1.00 0.00 C ATOM 211 O LYS A 14 33.085 -5.891 -15.375 1.00 0.00 O ATOM 212 CB LYS A 14 31.491 -8.583 -15.221 1.00 0.00 C ATOM 213 CG LYS A 14 31.109 -10.027 -14.920 1.00 0.00 C ATOM 214 CD LYS A 14 32.234 -10.995 -15.237 1.00 0.00 C ATOM 215 CE LYS A 14 31.925 -12.377 -14.692 1.00 0.00 C ATOM 216 NZ LYS A 14 32.945 -13.377 -15.099 1.00 0.00 N ATOM 0 H LYS A 14 31.865 -8.977 -12.793 1.00 0.00 H new ATOM 0 HA LYS A 14 33.621 -8.436 -15.011 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.651 -7.937 -14.967 1.00 0.00 H new ATOM 0 HB3 LYS A 14 31.660 -8.480 -16.293 1.00 0.00 H new ATOM 0 HG2 LYS A 14 30.839 -10.118 -13.868 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.226 -10.296 -15.500 1.00 0.00 H new ATOM 0 HD2 LYS A 14 32.380 -11.049 -16.316 1.00 0.00 H new ATOM 0 HD3 LYS A 14 33.166 -10.630 -14.807 1.00 0.00 H new ATOM 0 HE2 LYS A 14 31.873 -12.334 -13.604 1.00 0.00 H new ATOM 0 HE3 LYS A 14 30.944 -12.695 -15.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 32.696 -14.307 -14.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 32.977 -13.437 -16.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 33.877 -13.088 -14.740 1.00 0.00 H new ATOM 230 N THR A 15 32.370 -6.071 -13.254 1.00 0.00 N ATOM 231 CA THR A 15 32.251 -4.645 -13.042 1.00 0.00 C ATOM 232 C THR A 15 32.522 -4.298 -11.576 1.00 0.00 C ATOM 233 O THR A 15 32.895 -5.165 -10.783 1.00 0.00 O ATOM 234 CB THR A 15 30.854 -4.148 -13.470 1.00 0.00 C ATOM 235 OG1 THR A 15 30.791 -2.714 -13.411 1.00 0.00 O ATOM 236 CG2 THR A 15 29.772 -4.760 -12.591 1.00 0.00 C ATOM 0 H THR A 15 32.144 -6.637 -12.436 1.00 0.00 H new ATOM 0 HA THR A 15 32.996 -4.141 -13.658 1.00 0.00 H new ATOM 0 HB THR A 15 30.681 -4.463 -14.499 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.865 -2.433 -13.254 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.795 -4.396 -12.910 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.802 -5.846 -12.680 1.00 0.00 H new ATOM 0 HG23 THR A 15 29.943 -4.477 -11.553 1.00 0.00 H new ATOM 244 N GLU A 16 32.324 -3.036 -11.225 1.00 0.00 N ATOM 245 CA GLU A 16 32.665 -2.533 -9.901 1.00 0.00 C ATOM 246 C GLU A 16 31.457 -2.549 -8.968 1.00 0.00 C ATOM 247 O GLU A 16 31.575 -2.276 -7.773 1.00 0.00 O ATOM 248 CB GLU A 16 33.208 -1.108 -10.036 1.00 0.00 C ATOM 249 CG GLU A 16 32.219 -0.142 -10.680 1.00 0.00 C ATOM 250 CD GLU A 16 32.829 1.208 -11.003 1.00 0.00 C ATOM 251 OE1 GLU A 16 33.533 1.770 -10.141 1.00 0.00 O ATOM 252 OE2 GLU A 16 32.620 1.707 -12.131 1.00 0.00 O ATOM 0 H GLU A 16 31.924 -2.333 -11.847 1.00 0.00 H new ATOM 0 HA GLU A 16 33.423 -3.183 -9.465 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.478 -0.735 -9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.122 -1.130 -10.629 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.830 -0.587 -11.596 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.371 0.000 -10.010 1.00 0.00 H new ATOM 259 N TRP A 17 30.305 -2.888 -9.519 1.00 0.00 N ATOM 260 CA TRP A 17 29.052 -2.827 -8.772 1.00 0.00 C ATOM 261 C TRP A 17 28.791 -4.123 -8.015 1.00 0.00 C ATOM 262 O TRP A 17 29.513 -5.107 -8.171 1.00 0.00 O ATOM 263 CB TRP A 17 27.889 -2.533 -9.716 1.00 0.00 C ATOM 264 CG TRP A 17 28.175 -1.385 -10.630 1.00 0.00 C ATOM 265 CD1 TRP A 17 28.622 -0.148 -10.270 1.00 0.00 C ATOM 266 CD2 TRP A 17 28.046 -1.370 -12.053 1.00 0.00 C ATOM 267 NE1 TRP A 17 28.799 0.628 -11.386 1.00 0.00 N ATOM 268 CE2 TRP A 17 28.448 -0.098 -12.493 1.00 0.00 C ATOM 269 CE3 TRP A 17 27.632 -2.307 -13.001 1.00 0.00 C ATOM 270 CZ2 TRP A 17 28.456 0.253 -13.837 1.00 0.00 C ATOM 271 CZ3 TRP A 17 27.639 -1.955 -14.334 1.00 0.00 C ATOM 272 CH2 TRP A 17 28.047 -0.685 -14.741 1.00 0.00 C ATOM 0 H TRP A 17 30.207 -3.209 -10.482 1.00 0.00 H new ATOM 0 HA TRP A 17 29.138 -2.021 -8.043 1.00 0.00 H new ATOM 0 HB2 TRP A 17 27.672 -3.421 -10.309 1.00 0.00 H new ATOM 0 HB3 TRP A 17 26.996 -2.315 -9.131 1.00 0.00 H new ATOM 0 HD1 TRP A 17 28.809 0.173 -9.256 1.00 0.00 H new ATOM 0 HE1 TRP A 17 29.137 1.590 -11.391 1.00 0.00 H new ATOM 0 HE3 TRP A 17 27.311 -3.292 -12.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 28.775 1.234 -14.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 27.323 -2.674 -15.075 1.00 0.00 H new ATOM 0 HH2 TRP A 17 28.039 -0.438 -15.792 1.00 0.00 H new ATOM 283 N LYS A 18 27.736 -4.117 -7.213 1.00 0.00 N ATOM 284 CA LYS A 18 27.375 -5.258 -6.381 1.00 0.00 C ATOM 285 C LYS A 18 26.447 -6.210 -7.129 1.00 0.00 C ATOM 286 O LYS A 18 25.606 -6.886 -6.530 1.00 0.00 O ATOM 287 CB LYS A 18 26.686 -4.767 -5.112 1.00 0.00 C ATOM 288 CG LYS A 18 25.388 -4.022 -5.370 1.00 0.00 C ATOM 289 CD LYS A 18 24.227 -4.711 -4.684 1.00 0.00 C ATOM 290 CE LYS A 18 23.148 -5.130 -5.665 1.00 0.00 C ATOM 291 NZ LYS A 18 22.024 -5.797 -4.960 1.00 0.00 N ATOM 0 H LYS A 18 27.105 -3.321 -7.120 1.00 0.00 H new ATOM 0 HA LYS A 18 28.287 -5.797 -6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.482 -5.621 -4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.368 -4.113 -4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.474 -2.997 -5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 18 25.202 -3.967 -6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.592 -5.589 -4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.798 -4.041 -3.939 1.00 0.00 H new ATOM 0 HE2 LYS A 18 22.779 -4.256 -6.202 1.00 0.00 H new ATOM 0 HE3 LYS A 18 23.569 -5.806 -6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.538 -6.443 -5.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.393 -6.336 -4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 21.353 -5.079 -4.620 1.00 0.00 H new ATOM 305 N LEU A 19 26.593 -6.275 -8.433 1.00 0.00 N ATOM 306 CA LEU A 19 25.720 -7.110 -9.229 1.00 0.00 C ATOM 307 C LEU A 19 26.238 -8.544 -9.207 1.00 0.00 C ATOM 308 O LEU A 19 27.420 -8.769 -9.400 1.00 0.00 O ATOM 309 CB LEU A 19 25.668 -6.610 -10.674 1.00 0.00 C ATOM 310 CG LEU A 19 25.535 -5.094 -10.840 1.00 0.00 C ATOM 311 CD1 LEU A 19 25.448 -4.729 -12.308 1.00 0.00 C ATOM 312 CD2 LEU A 19 24.324 -4.570 -10.098 1.00 0.00 C ATOM 0 H LEU A 19 27.301 -5.765 -8.962 1.00 0.00 H new ATOM 0 HA LEU A 19 24.715 -7.070 -8.809 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.573 -6.936 -11.186 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.827 -7.089 -11.176 1.00 0.00 H new ATOM 0 HG LEU A 19 26.424 -4.629 -10.413 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.354 -3.648 -12.409 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.350 -5.064 -12.820 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.578 -5.212 -12.752 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.254 -3.491 -10.233 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.424 -5.044 -10.490 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.421 -4.797 -9.036 1.00 0.00 H new ATOM 324 N ASN A 20 25.376 -9.509 -8.950 1.00 0.00 N ATOM 325 CA ASN A 20 25.819 -10.903 -8.870 1.00 0.00 C ATOM 326 C ASN A 20 24.768 -11.825 -9.456 1.00 0.00 C ATOM 327 O ASN A 20 24.803 -13.038 -9.255 1.00 0.00 O ATOM 328 CB ASN A 20 26.115 -11.300 -7.417 1.00 0.00 C ATOM 329 CG ASN A 20 27.253 -10.505 -6.798 1.00 0.00 C ATOM 330 OD1 ASN A 20 28.399 -10.954 -6.758 1.00 0.00 O ATOM 331 ND2 ASN A 20 26.942 -9.302 -6.339 1.00 0.00 N ATOM 0 H ASN A 20 24.378 -9.366 -8.794 1.00 0.00 H new ATOM 0 HA ASN A 20 26.738 -11.000 -9.448 1.00 0.00 H new ATOM 0 HB2 ASN A 20 25.215 -11.160 -6.818 1.00 0.00 H new ATOM 0 HB3 ASN A 20 26.360 -12.361 -7.380 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.665 -8.708 -5.933 1.00 0.00 H new ATOM 0 HD22 ASN A 20 25.979 -8.969 -6.392 1.00 0.00 H new ATOM 338 N GLY A 21 23.841 -11.243 -10.204 1.00 0.00 N ATOM 339 CA GLY A 21 22.786 -12.023 -10.809 1.00 0.00 C ATOM 340 C GLY A 21 21.608 -12.242 -9.884 1.00 0.00 C ATOM 341 O GLY A 21 20.658 -12.939 -10.239 1.00 0.00 O ATOM 0 H GLY A 21 23.803 -10.243 -10.402 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.443 -11.520 -11.713 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.186 -12.990 -11.114 1.00 0.00 H new ATOM 345 N GLN A 22 21.666 -11.657 -8.693 1.00 0.00 N ATOM 346 CA GLN A 22 20.574 -11.786 -7.739 1.00 0.00 C ATOM 347 C GLN A 22 19.388 -10.929 -8.160 1.00 0.00 C ATOM 348 O GLN A 22 19.451 -10.199 -9.144 1.00 0.00 O ATOM 349 CB GLN A 22 21.015 -11.403 -6.320 1.00 0.00 C ATOM 350 CG GLN A 22 21.382 -9.936 -6.153 1.00 0.00 C ATOM 351 CD GLN A 22 22.874 -9.690 -6.226 1.00 0.00 C ATOM 352 OE1 GLN A 22 23.673 -10.546 -5.865 1.00 0.00 O ATOM 353 NE2 GLN A 22 23.256 -8.515 -6.698 1.00 0.00 N ATOM 0 H GLN A 22 22.451 -11.093 -8.368 1.00 0.00 H new ATOM 0 HA GLN A 22 20.273 -12.834 -7.731 1.00 0.00 H new ATOM 0 HB2 GLN A 22 20.212 -11.646 -5.624 1.00 0.00 H new ATOM 0 HB3 GLN A 22 21.873 -12.014 -6.042 1.00 0.00 H new ATOM 0 HG2 GLN A 22 20.884 -9.352 -6.927 1.00 0.00 H new ATOM 0 HG3 GLN A 22 21.007 -9.580 -5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 22 22.558 -7.830 -6.988 1.00 0.00 H new ATOM 0 HE22 GLN A 22 24.249 -8.294 -6.772 1.00 0.00 H new ATOM 362 N VAL A 23 18.316 -11.008 -7.406 1.00 0.00 N ATOM 363 CA VAL A 23 17.116 -10.257 -7.715 1.00 0.00 C ATOM 364 C VAL A 23 16.694 -9.425 -6.510 1.00 0.00 C ATOM 365 O VAL A 23 16.679 -9.907 -5.375 1.00 0.00 O ATOM 366 CB VAL A 23 15.963 -11.185 -8.172 1.00 0.00 C ATOM 367 CG1 VAL A 23 15.588 -12.186 -7.088 1.00 0.00 C ATOM 368 CG2 VAL A 23 14.751 -10.370 -8.601 1.00 0.00 C ATOM 0 H VAL A 23 18.248 -11.587 -6.569 1.00 0.00 H new ATOM 0 HA VAL A 23 17.342 -9.588 -8.545 1.00 0.00 H new ATOM 0 HB VAL A 23 16.317 -11.751 -9.033 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.776 -12.820 -7.444 1.00 0.00 H new ATOM 0 HG12 VAL A 23 16.453 -12.804 -6.849 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.266 -11.651 -6.195 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.954 -11.043 -8.918 1.00 0.00 H new ATOM 0 HG22 VAL A 23 14.404 -9.765 -7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 23 15.026 -9.718 -9.430 1.00 0.00 H new ATOM 378 N LEU A 24 16.393 -8.166 -6.757 1.00 0.00 N ATOM 379 CA LEU A 24 15.974 -7.265 -5.703 1.00 0.00 C ATOM 380 C LEU A 24 14.460 -7.239 -5.609 1.00 0.00 C ATOM 381 O LEU A 24 13.772 -7.326 -6.622 1.00 0.00 O ATOM 382 CB LEU A 24 16.509 -5.858 -5.965 1.00 0.00 C ATOM 383 CG LEU A 24 18.030 -5.756 -6.087 1.00 0.00 C ATOM 384 CD1 LEU A 24 18.452 -4.314 -6.335 1.00 0.00 C ATOM 385 CD2 LEU A 24 18.702 -6.304 -4.837 1.00 0.00 C ATOM 0 H LEU A 24 16.431 -7.742 -7.684 1.00 0.00 H new ATOM 0 HA LEU A 24 16.379 -7.622 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 24 16.060 -5.480 -6.884 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.180 -5.204 -5.157 1.00 0.00 H new ATOM 0 HG LEU A 24 18.348 -6.356 -6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.538 -4.262 -6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 24 17.999 -3.956 -7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.122 -3.690 -5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.784 -6.224 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.377 -5.731 -3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.427 -7.350 -4.705 1.00 0.00 H new ATOM 397 N VAL A 25 13.953 -7.126 -4.398 1.00 0.00 N ATOM 398 CA VAL A 25 12.525 -7.086 -4.165 1.00 0.00 C ATOM 399 C VAL A 25 12.199 -5.932 -3.232 1.00 0.00 C ATOM 400 O VAL A 25 12.506 -5.968 -2.040 1.00 0.00 O ATOM 401 CB VAL A 25 11.993 -8.404 -3.554 1.00 0.00 C ATOM 402 CG1 VAL A 25 10.490 -8.322 -3.347 1.00 0.00 C ATOM 403 CG2 VAL A 25 12.341 -9.597 -4.435 1.00 0.00 C ATOM 0 H VAL A 25 14.518 -7.060 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 25 12.038 -6.949 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 25 12.475 -8.546 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.130 -9.257 -2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.260 -7.499 -2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.999 -8.152 -4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.955 -10.510 -3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.894 -9.464 -5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.424 -9.672 -4.535 1.00 0.00 H new ATOM 413 N PHE A 26 11.602 -4.902 -3.788 1.00 0.00 N ATOM 414 CA PHE A 26 11.213 -3.736 -3.022 1.00 0.00 C ATOM 415 C PHE A 26 9.702 -3.626 -3.040 1.00 0.00 C ATOM 416 O PHE A 26 9.045 -4.208 -3.900 1.00 0.00 O ATOM 417 CB PHE A 26 11.839 -2.466 -3.611 1.00 0.00 C ATOM 418 CG PHE A 26 13.339 -2.386 -3.486 1.00 0.00 C ATOM 419 CD1 PHE A 26 14.163 -3.024 -4.400 1.00 0.00 C ATOM 420 CD2 PHE A 26 13.925 -1.661 -2.458 1.00 0.00 C ATOM 421 CE1 PHE A 26 15.540 -2.942 -4.290 1.00 0.00 C ATOM 422 CE2 PHE A 26 15.300 -1.577 -2.346 1.00 0.00 C ATOM 423 CZ PHE A 26 16.107 -2.217 -3.263 1.00 0.00 C ATOM 0 H PHE A 26 11.372 -4.847 -4.780 1.00 0.00 H new ATOM 0 HA PHE A 26 11.568 -3.842 -1.997 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.572 -2.402 -4.666 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.400 -1.599 -3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.725 -3.592 -5.208 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.299 -1.156 -1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.170 -3.446 -5.008 1.00 0.00 H new ATOM 0 HE2 PHE A 26 15.742 -1.010 -1.540 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.182 -2.151 -3.177 1.00 0.00 H new ATOM 433 N THR A 27 9.144 -2.912 -2.095 1.00 0.00 N ATOM 434 CA THR A 27 7.713 -2.708 -2.077 1.00 0.00 C ATOM 435 C THR A 27 7.408 -1.221 -2.010 1.00 0.00 C ATOM 436 O THR A 27 7.722 -0.553 -1.022 1.00 0.00 O ATOM 437 CB THR A 27 7.052 -3.423 -0.887 1.00 0.00 C ATOM 438 OG1 THR A 27 7.597 -4.742 -0.733 1.00 0.00 O ATOM 439 CG2 THR A 27 5.544 -3.514 -1.067 1.00 0.00 C ATOM 0 H THR A 27 9.652 -2.464 -1.332 1.00 0.00 H new ATOM 0 HA THR A 27 7.304 -3.132 -2.994 1.00 0.00 H new ATOM 0 HB THR A 27 7.259 -2.837 0.008 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.169 -5.186 0.029 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.105 -4.025 -0.210 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.126 -2.510 -1.145 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.319 -4.072 -1.976 1.00 0.00 H new ATOM 447 N LEU A 28 6.809 -0.715 -3.065 1.00 0.00 N ATOM 448 CA LEU A 28 6.480 0.695 -3.161 1.00 0.00 C ATOM 449 C LEU A 28 5.046 0.848 -3.629 1.00 0.00 C ATOM 450 O LEU A 28 4.491 -0.064 -4.246 1.00 0.00 O ATOM 451 CB LEU A 28 7.430 1.409 -4.134 1.00 0.00 C ATOM 452 CG LEU A 28 8.866 1.603 -3.636 1.00 0.00 C ATOM 453 CD1 LEU A 28 9.755 2.120 -4.758 1.00 0.00 C ATOM 454 CD2 LEU A 28 8.893 2.570 -2.464 1.00 0.00 C ATOM 0 H LEU A 28 6.536 -1.265 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 28 6.593 1.151 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.461 0.842 -5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.011 2.387 -4.370 1.00 0.00 H new ATOM 0 HG LEU A 28 9.247 0.637 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.771 2.252 -4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.759 1.403 -5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.372 3.076 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.920 2.698 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.493 3.534 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.286 2.173 -1.651 1.00 0.00 H new ATOM 466 N PRO A 29 4.404 1.970 -3.299 1.00 0.00 N ATOM 467 CA PRO A 29 3.068 2.266 -3.788 1.00 0.00 C ATOM 468 C PRO A 29 3.071 2.502 -5.289 1.00 0.00 C ATOM 469 O PRO A 29 4.071 2.938 -5.856 1.00 0.00 O ATOM 470 CB PRO A 29 2.674 3.542 -3.040 1.00 0.00 C ATOM 471 CG PRO A 29 3.963 4.161 -2.627 1.00 0.00 C ATOM 472 CD PRO A 29 4.925 3.026 -2.420 1.00 0.00 C ATOM 0 HA PRO A 29 2.373 1.444 -3.618 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.101 4.213 -3.680 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.050 3.316 -2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.328 4.847 -3.392 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.841 4.740 -1.712 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.943 3.308 -2.691 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.949 2.705 -1.378 1.00 0.00 H new ATOM 480 N LEU A 30 1.940 2.232 -5.918 1.00 0.00 N ATOM 481 CA LEU A 30 1.778 2.416 -7.358 1.00 0.00 C ATOM 482 C LEU A 30 1.920 3.896 -7.725 1.00 0.00 C ATOM 483 O LEU A 30 1.989 4.259 -8.898 1.00 0.00 O ATOM 484 CB LEU A 30 0.402 1.887 -7.778 1.00 0.00 C ATOM 485 CG LEU A 30 0.191 1.705 -9.280 1.00 0.00 C ATOM 486 CD1 LEU A 30 1.188 0.704 -9.835 1.00 0.00 C ATOM 487 CD2 LEU A 30 -1.233 1.251 -9.566 1.00 0.00 C ATOM 0 H LEU A 30 1.106 1.879 -5.449 1.00 0.00 H new ATOM 0 HA LEU A 30 2.554 1.862 -7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.237 0.927 -7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.359 2.571 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 30 0.352 2.664 -9.772 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.026 0.584 -10.906 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.202 1.065 -9.660 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.054 -0.257 -9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.366 1.126 -10.641 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.420 0.301 -9.064 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.934 2.000 -9.198 1.00 0.00 H new ATOM 499 N THR A 31 1.986 4.736 -6.701 1.00 0.00 N ATOM 500 CA THR A 31 2.052 6.173 -6.868 1.00 0.00 C ATOM 501 C THR A 31 3.471 6.653 -7.154 1.00 0.00 C ATOM 502 O THR A 31 3.672 7.790 -7.586 1.00 0.00 O ATOM 503 CB THR A 31 1.510 6.867 -5.611 1.00 0.00 C ATOM 504 OG1 THR A 31 2.220 6.402 -4.451 1.00 0.00 O ATOM 505 CG2 THR A 31 0.037 6.561 -5.443 1.00 0.00 C ATOM 0 H THR A 31 1.995 4.433 -5.727 1.00 0.00 H new ATOM 0 HA THR A 31 1.438 6.433 -7.730 1.00 0.00 H new ATOM 0 HB THR A 31 1.649 7.943 -5.720 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.871 6.850 -3.652 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.338 7.058 -4.548 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.511 6.920 -6.314 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.102 5.484 -5.345 1.00 0.00 H new ATOM 513 N ASP A 32 4.453 5.801 -6.892 1.00 0.00 N ATOM 514 CA ASP A 32 5.837 6.142 -7.218 1.00 0.00 C ATOM 515 C ASP A 32 6.133 5.870 -8.689 1.00 0.00 C ATOM 516 O ASP A 32 5.236 5.549 -9.474 1.00 0.00 O ATOM 517 CB ASP A 32 6.834 5.403 -6.318 1.00 0.00 C ATOM 518 CG ASP A 32 6.993 6.079 -4.969 1.00 0.00 C ATOM 519 OD1 ASP A 32 6.186 5.807 -4.055 1.00 0.00 O ATOM 520 OD2 ASP A 32 7.921 6.904 -4.816 1.00 0.00 O ATOM 0 H ASP A 32 4.325 4.885 -6.463 1.00 0.00 H new ATOM 0 HA ASP A 32 5.959 7.209 -7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.498 4.376 -6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.803 5.353 -6.815 1.00 0.00 H new ATOM 525 N GLN A 33 7.394 6.004 -9.069 1.00 0.00 N ATOM 526 CA GLN A 33 7.767 5.929 -10.469 1.00 0.00 C ATOM 527 C GLN A 33 9.124 5.272 -10.655 1.00 0.00 C ATOM 528 O GLN A 33 9.823 4.980 -9.684 1.00 0.00 O ATOM 529 CB GLN A 33 7.769 7.330 -11.095 1.00 0.00 C ATOM 530 CG GLN A 33 8.568 8.368 -10.316 1.00 0.00 C ATOM 531 CD GLN A 33 7.816 8.960 -9.131 1.00 0.00 C ATOM 532 OE1 GLN A 33 8.420 9.306 -8.118 1.00 0.00 O ATOM 533 NE2 GLN A 33 6.503 9.104 -9.254 1.00 0.00 N ATOM 0 H GLN A 33 8.172 6.165 -8.429 1.00 0.00 H new ATOM 0 HA GLN A 33 7.026 5.310 -10.974 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.173 7.262 -12.105 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.739 7.675 -11.186 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.489 7.909 -9.957 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.855 9.174 -10.992 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.035 8.805 -10.110 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.961 9.513 -8.493 1.00 0.00 H new ATOM 542 N VAL A 34 9.498 5.068 -11.917 1.00 0.00 N ATOM 543 CA VAL A 34 10.762 4.423 -12.261 1.00 0.00 C ATOM 544 C VAL A 34 11.946 5.253 -11.776 1.00 0.00 C ATOM 545 O VAL A 34 13.036 4.731 -11.543 1.00 0.00 O ATOM 546 CB VAL A 34 10.890 4.204 -13.783 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.127 3.383 -14.106 1.00 0.00 C ATOM 548 CG2 VAL A 34 9.636 3.548 -14.343 1.00 0.00 C ATOM 0 H VAL A 34 8.938 5.343 -12.724 1.00 0.00 H new ATOM 0 HA VAL A 34 10.769 3.453 -11.764 1.00 0.00 H new ATOM 0 HB VAL A 34 10.999 5.178 -14.260 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.198 3.241 -15.184 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.014 3.907 -13.750 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.058 2.412 -13.616 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.750 3.404 -15.417 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.485 2.582 -13.861 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.774 4.188 -14.152 1.00 0.00 H new ATOM 558 N SER A 35 11.720 6.550 -11.633 1.00 0.00 N ATOM 559 CA SER A 35 12.720 7.459 -11.082 1.00 0.00 C ATOM 560 C SER A 35 13.244 6.945 -9.733 1.00 0.00 C ATOM 561 O SER A 35 14.428 7.083 -9.425 1.00 0.00 O ATOM 562 CB SER A 35 12.121 8.862 -10.924 1.00 0.00 C ATOM 563 OG SER A 35 13.107 9.808 -10.542 1.00 0.00 O ATOM 0 H SER A 35 10.844 7.003 -11.893 1.00 0.00 H new ATOM 0 HA SER A 35 13.561 7.508 -11.773 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.663 9.171 -11.864 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.329 8.838 -10.176 1.00 0.00 H new ATOM 0 HG SER A 35 12.694 10.692 -10.451 1.00 0.00 H new ATOM 569 N VAL A 36 12.365 6.323 -8.949 1.00 0.00 N ATOM 570 CA VAL A 36 12.746 5.771 -7.663 1.00 0.00 C ATOM 571 C VAL A 36 13.544 4.477 -7.851 1.00 0.00 C ATOM 572 O VAL A 36 14.360 4.107 -7.011 1.00 0.00 O ATOM 573 CB VAL A 36 11.496 5.502 -6.795 1.00 0.00 C ATOM 574 CG1 VAL A 36 11.893 5.140 -5.383 1.00 0.00 C ATOM 575 CG2 VAL A 36 10.573 6.712 -6.798 1.00 0.00 C ATOM 0 H VAL A 36 11.382 6.192 -9.189 1.00 0.00 H new ATOM 0 HA VAL A 36 13.375 6.500 -7.152 1.00 0.00 H new ATOM 0 HB VAL A 36 10.957 4.657 -7.225 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.998 4.955 -4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.511 4.242 -5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.457 5.962 -4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.698 6.504 -6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.103 7.575 -6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.255 6.925 -7.819 1.00 0.00 H new ATOM 585 N ILE A 37 13.305 3.797 -8.962 1.00 0.00 N ATOM 586 CA ILE A 37 14.036 2.572 -9.280 1.00 0.00 C ATOM 587 C ILE A 37 15.479 2.885 -9.685 1.00 0.00 C ATOM 588 O ILE A 37 16.416 2.297 -9.148 1.00 0.00 O ATOM 589 CB ILE A 37 13.343 1.758 -10.406 1.00 0.00 C ATOM 590 CG1 ILE A 37 11.839 1.611 -10.128 1.00 0.00 C ATOM 591 CG2 ILE A 37 13.992 0.388 -10.548 1.00 0.00 C ATOM 592 CD1 ILE A 37 11.516 0.946 -8.807 1.00 0.00 C ATOM 0 H ILE A 37 12.613 4.069 -9.660 1.00 0.00 H new ATOM 0 HA ILE A 37 14.041 1.965 -8.375 1.00 0.00 H new ATOM 0 HB ILE A 37 13.465 2.301 -11.343 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.379 2.599 -10.147 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.386 1.033 -10.934 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.495 -0.170 -11.341 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.047 0.509 -10.796 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.900 -0.157 -9.609 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.435 0.881 -8.687 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.944 -0.056 -8.790 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.936 1.534 -7.991 1.00 0.00 H new ATOM 604 N LYS A 38 15.658 3.823 -10.608 1.00 0.00 N ATOM 605 CA LYS A 38 16.999 4.183 -11.074 1.00 0.00 C ATOM 606 C LYS A 38 17.859 4.733 -9.944 1.00 0.00 C ATOM 607 O LYS A 38 19.043 4.400 -9.838 1.00 0.00 O ATOM 608 CB LYS A 38 16.944 5.209 -12.208 1.00 0.00 C ATOM 609 CG LYS A 38 15.985 6.357 -11.947 1.00 0.00 C ATOM 610 CD LYS A 38 16.479 7.661 -12.553 1.00 0.00 C ATOM 611 CE LYS A 38 17.795 8.101 -11.935 1.00 0.00 C ATOM 612 NZ LYS A 38 18.197 9.458 -12.386 1.00 0.00 N ATOM 0 H LYS A 38 14.901 4.346 -11.048 1.00 0.00 H new ATOM 0 HA LYS A 38 17.451 3.264 -11.447 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.944 5.612 -12.370 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.651 4.704 -13.129 1.00 0.00 H new ATOM 0 HG2 LYS A 38 15.006 6.113 -12.360 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.855 6.483 -10.872 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.604 7.539 -13.629 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.729 8.438 -12.406 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.706 8.092 -10.849 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.575 7.386 -12.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 19.100 9.719 -11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 18.307 9.462 -13.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.465 10.145 -12.114 1.00 0.00 H new ATOM 626 N VAL A 39 17.268 5.579 -9.105 1.00 0.00 N ATOM 627 CA VAL A 39 18.014 6.196 -8.018 1.00 0.00 C ATOM 628 C VAL A 39 18.425 5.146 -6.990 1.00 0.00 C ATOM 629 O VAL A 39 19.547 5.172 -6.491 1.00 0.00 O ATOM 630 CB VAL A 39 17.221 7.345 -7.335 1.00 0.00 C ATOM 631 CG1 VAL A 39 15.950 6.838 -6.681 1.00 0.00 C ATOM 632 CG2 VAL A 39 18.090 8.070 -6.318 1.00 0.00 C ATOM 0 H VAL A 39 16.286 5.849 -9.157 1.00 0.00 H new ATOM 0 HA VAL A 39 18.910 6.639 -8.454 1.00 0.00 H new ATOM 0 HB VAL A 39 16.934 8.050 -8.115 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.424 7.671 -6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.310 6.381 -7.436 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.202 6.097 -5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 39 17.515 8.870 -5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 39 18.418 7.367 -5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 39 18.960 8.493 -6.819 1.00 0.00 H new ATOM 642 N LYS A 40 17.538 4.191 -6.720 1.00 0.00 N ATOM 643 CA LYS A 40 17.814 3.175 -5.714 1.00 0.00 C ATOM 644 C LYS A 40 18.920 2.229 -6.176 1.00 0.00 C ATOM 645 O LYS A 40 19.733 1.788 -5.370 1.00 0.00 O ATOM 646 CB LYS A 40 16.542 2.399 -5.327 1.00 0.00 C ATOM 647 CG LYS A 40 16.061 1.377 -6.339 1.00 0.00 C ATOM 648 CD LYS A 40 14.582 1.036 -6.153 1.00 0.00 C ATOM 649 CE LYS A 40 14.157 0.995 -4.687 1.00 0.00 C ATOM 650 NZ LYS A 40 13.829 2.351 -4.155 1.00 0.00 N ATOM 0 H LYS A 40 16.632 4.101 -7.180 1.00 0.00 H new ATOM 0 HA LYS A 40 18.166 3.689 -4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.724 1.889 -4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.740 3.116 -5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.220 1.762 -7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.656 0.469 -6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.976 1.773 -6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.378 0.068 -6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.288 0.345 -4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.957 0.557 -4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.458 2.572 -3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.959 3.059 -4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.841 2.367 -3.831 1.00 0.00 H new ATOM 664 N ILE A 41 18.973 1.935 -7.474 1.00 0.00 N ATOM 665 CA ILE A 41 19.999 1.049 -7.997 1.00 0.00 C ATOM 666 C ILE A 41 21.342 1.768 -8.038 1.00 0.00 C ATOM 667 O ILE A 41 22.372 1.212 -7.663 1.00 0.00 O ATOM 668 CB ILE A 41 19.640 0.550 -9.404 1.00 0.00 C ATOM 669 CG1 ILE A 41 18.297 -0.169 -9.375 1.00 0.00 C ATOM 670 CG2 ILE A 41 20.723 -0.371 -9.946 1.00 0.00 C ATOM 671 CD1 ILE A 41 17.748 -0.456 -10.749 1.00 0.00 C ATOM 0 H ILE A 41 18.323 2.295 -8.173 1.00 0.00 H new ATOM 0 HA ILE A 41 20.066 0.187 -7.333 1.00 0.00 H new ATOM 0 HB ILE A 41 19.566 1.412 -10.067 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.406 -1.107 -8.831 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.579 0.438 -8.823 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.446 -0.711 -10.944 1.00 0.00 H new ATOM 0 HG22 ILE A 41 21.668 0.169 -9.997 1.00 0.00 H new ATOM 0 HG23 ILE A 41 20.832 -1.232 -9.286 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.791 -0.969 -10.658 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.608 0.481 -11.288 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.448 -1.088 -11.296 1.00 0.00 H new ATOM 683 N HIS A 42 21.314 3.016 -8.481 1.00 0.00 N ATOM 684 CA HIS A 42 22.518 3.843 -8.530 1.00 0.00 C ATOM 685 C HIS A 42 23.157 3.986 -7.145 1.00 0.00 C ATOM 686 O HIS A 42 24.375 4.082 -7.033 1.00 0.00 O ATOM 687 CB HIS A 42 22.207 5.224 -9.130 1.00 0.00 C ATOM 688 CG HIS A 42 23.287 6.248 -8.900 1.00 0.00 C ATOM 689 ND1 HIS A 42 24.567 6.130 -9.402 1.00 0.00 N ATOM 690 CD2 HIS A 42 23.273 7.399 -8.191 1.00 0.00 C ATOM 691 CE1 HIS A 42 25.288 7.166 -9.009 1.00 0.00 C ATOM 692 NE2 HIS A 42 24.525 7.951 -8.273 1.00 0.00 N ATOM 0 H HIS A 42 20.470 3.482 -8.813 1.00 0.00 H new ATOM 0 HA HIS A 42 23.237 3.340 -9.176 1.00 0.00 H new ATOM 0 HB2 HIS A 42 22.046 5.115 -10.203 1.00 0.00 H new ATOM 0 HB3 HIS A 42 21.274 5.593 -8.703 1.00 0.00 H new ATOM 0 HD2 HIS A 42 22.429 7.809 -7.657 1.00 0.00 H new ATOM 0 HE1 HIS A 42 26.326 7.340 -9.250 1.00 0.00 H new ATOM 0 HE2 HIS A 42 24.818 8.825 -7.837 1.00 0.00 H new ATOM 701 N GLU A 43 22.341 3.999 -6.103 1.00 0.00 N ATOM 702 CA GLU A 43 22.856 4.145 -4.746 1.00 0.00 C ATOM 703 C GLU A 43 23.256 2.789 -4.174 1.00 0.00 C ATOM 704 O GLU A 43 24.198 2.689 -3.385 1.00 0.00 O ATOM 705 CB GLU A 43 21.815 4.800 -3.838 1.00 0.00 C ATOM 706 CG GLU A 43 21.418 6.202 -4.271 1.00 0.00 C ATOM 707 CD GLU A 43 20.395 6.824 -3.344 1.00 0.00 C ATOM 708 OE1 GLU A 43 19.346 6.189 -3.094 1.00 0.00 O ATOM 709 OE2 GLU A 43 20.631 7.952 -2.861 1.00 0.00 O ATOM 0 H GLU A 43 21.327 3.911 -6.167 1.00 0.00 H new ATOM 0 HA GLU A 43 23.737 4.785 -4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.924 4.172 -3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.207 4.841 -2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 43 22.305 6.834 -4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.014 6.166 -5.283 1.00 0.00 H new ATOM 716 N ALA A 44 22.541 1.751 -4.582 1.00 0.00 N ATOM 717 CA ALA A 44 22.769 0.410 -4.065 1.00 0.00 C ATOM 718 C ALA A 44 23.984 -0.238 -4.712 1.00 0.00 C ATOM 719 O ALA A 44 24.807 -0.854 -4.035 1.00 0.00 O ATOM 720 CB ALA A 44 21.535 -0.454 -4.281 1.00 0.00 C ATOM 0 H ALA A 44 21.794 1.813 -5.274 1.00 0.00 H new ATOM 0 HA ALA A 44 22.965 0.494 -2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 44 21.719 -1.455 -3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.685 -0.011 -3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.316 -0.516 -5.347 1.00 0.00 H new ATOM 726 N THR A 45 24.099 -0.103 -6.025 1.00 0.00 N ATOM 727 CA THR A 45 25.186 -0.735 -6.752 1.00 0.00 C ATOM 728 C THR A 45 26.265 0.282 -7.094 1.00 0.00 C ATOM 729 O THR A 45 27.456 0.031 -6.908 1.00 0.00 O ATOM 730 CB THR A 45 24.682 -1.413 -8.047 1.00 0.00 C ATOM 731 OG1 THR A 45 24.549 -0.456 -9.109 1.00 0.00 O ATOM 732 CG2 THR A 45 23.328 -2.058 -7.814 1.00 0.00 C ATOM 0 H THR A 45 23.456 0.436 -6.605 1.00 0.00 H new ATOM 0 HA THR A 45 25.608 -1.503 -6.103 1.00 0.00 H new ATOM 0 HB THR A 45 25.415 -2.170 -8.327 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.897 0.229 -8.852 1.00 0.00 H new ATOM 0 HG21 THR A 45 22.987 -2.531 -8.735 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.413 -2.810 -7.030 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.610 -1.297 -7.510 1.00 0.00 H new ATOM 740 N GLY A 46 25.832 1.433 -7.584 1.00 0.00 N ATOM 741 CA GLY A 46 26.747 2.484 -7.956 1.00 0.00 C ATOM 742 C GLY A 46 26.505 2.971 -9.368 1.00 0.00 C ATOM 743 O GLY A 46 26.902 4.080 -9.727 1.00 0.00 O ATOM 0 H GLY A 46 24.848 1.657 -7.731 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.643 3.318 -7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.771 2.121 -7.868 1.00 0.00 H new ATOM 747 N MET A 47 25.823 2.154 -10.166 1.00 0.00 N ATOM 748 CA MET A 47 25.616 2.471 -11.576 1.00 0.00 C ATOM 749 C MET A 47 24.503 3.506 -11.760 1.00 0.00 C ATOM 750 O MET A 47 23.351 3.277 -11.399 1.00 0.00 O ATOM 751 CB MET A 47 25.302 1.198 -12.371 1.00 0.00 C ATOM 752 CG MET A 47 23.958 0.572 -12.032 1.00 0.00 C ATOM 753 SD MET A 47 23.833 -1.159 -12.528 1.00 0.00 S ATOM 754 CE MET A 47 23.880 -1.025 -14.314 1.00 0.00 C ATOM 0 H MET A 47 25.407 1.273 -9.863 1.00 0.00 H new ATOM 0 HA MET A 47 26.540 2.905 -11.959 1.00 0.00 H new ATOM 0 HB2 MET A 47 25.324 1.432 -13.435 1.00 0.00 H new ATOM 0 HB3 MET A 47 26.088 0.465 -12.189 1.00 0.00 H new ATOM 0 HG2 MET A 47 23.790 0.648 -10.958 1.00 0.00 H new ATOM 0 HG3 MET A 47 23.166 1.141 -12.520 1.00 0.00 H new ATOM 0 HE1 MET A 47 24.660 -1.676 -14.707 1.00 0.00 H new ATOM 0 HE2 MET A 47 22.916 -1.323 -14.727 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.092 0.006 -14.596 1.00 0.00 H new ATOM 764 N PRO A 48 24.844 4.674 -12.309 1.00 0.00 N ATOM 765 CA PRO A 48 23.859 5.710 -12.617 1.00 0.00 C ATOM 766 C PRO A 48 22.935 5.297 -13.762 1.00 0.00 C ATOM 767 O PRO A 48 23.271 4.419 -14.561 1.00 0.00 O ATOM 768 CB PRO A 48 24.709 6.921 -13.004 1.00 0.00 C ATOM 769 CG PRO A 48 26.032 6.371 -13.406 1.00 0.00 C ATOM 770 CD PRO A 48 26.215 5.084 -12.650 1.00 0.00 C ATOM 0 HA PRO A 48 23.195 5.909 -11.776 1.00 0.00 H new ATOM 0 HB2 PRO A 48 24.250 7.476 -13.822 1.00 0.00 H new ATOM 0 HB3 PRO A 48 24.810 7.612 -12.167 1.00 0.00 H new ATOM 0 HG2 PRO A 48 26.067 6.196 -14.481 1.00 0.00 H new ATOM 0 HG3 PRO A 48 26.831 7.074 -13.171 1.00 0.00 H new ATOM 0 HD2 PRO A 48 26.717 4.332 -13.258 1.00 0.00 H new ATOM 0 HD3 PRO A 48 26.822 5.229 -11.757 1.00 0.00 H new ATOM 778 N ALA A 49 21.775 5.937 -13.835 1.00 0.00 N ATOM 779 CA ALA A 49 20.753 5.587 -14.821 1.00 0.00 C ATOM 780 C ALA A 49 21.228 5.833 -16.249 1.00 0.00 C ATOM 781 O ALA A 49 20.646 5.310 -17.199 1.00 0.00 O ATOM 782 CB ALA A 49 19.481 6.370 -14.554 1.00 0.00 C ATOM 0 H ALA A 49 21.514 6.707 -13.219 1.00 0.00 H new ATOM 0 HA ALA A 49 20.553 4.520 -14.721 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.727 6.102 -15.294 1.00 0.00 H new ATOM 0 HB2 ALA A 49 19.111 6.134 -13.556 1.00 0.00 H new ATOM 0 HB3 ALA A 49 19.690 7.438 -14.620 1.00 0.00 H new ATOM 788 N GLY A 50 22.284 6.630 -16.389 1.00 0.00 N ATOM 789 CA GLY A 50 22.859 6.918 -17.691 1.00 0.00 C ATOM 790 C GLY A 50 23.192 5.670 -18.483 1.00 0.00 C ATOM 791 O GLY A 50 23.128 5.669 -19.706 1.00 0.00 O ATOM 0 H GLY A 50 22.758 7.088 -15.610 1.00 0.00 H new ATOM 0 HA2 GLY A 50 22.160 7.528 -18.263 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.765 7.510 -17.559 1.00 0.00 H new ATOM 795 N LYS A 51 23.540 4.602 -17.782 1.00 0.00 N ATOM 796 CA LYS A 51 23.893 3.351 -18.433 1.00 0.00 C ATOM 797 C LYS A 51 23.117 2.199 -17.812 1.00 0.00 C ATOM 798 O LYS A 51 23.219 1.056 -18.246 1.00 0.00 O ATOM 799 CB LYS A 51 25.398 3.065 -18.343 1.00 0.00 C ATOM 800 CG LYS A 51 26.254 4.195 -17.767 1.00 0.00 C ATOM 801 CD LYS A 51 26.063 4.357 -16.263 1.00 0.00 C ATOM 802 CE LYS A 51 26.074 3.022 -15.543 1.00 0.00 C ATOM 803 NZ LYS A 51 27.317 2.248 -15.833 1.00 0.00 N ATOM 0 H LYS A 51 23.585 4.577 -16.763 1.00 0.00 H new ATOM 0 HA LYS A 51 23.630 3.447 -19.487 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.544 2.175 -17.731 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.765 2.829 -19.342 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.305 3.996 -17.978 1.00 0.00 H new ATOM 0 HG3 LYS A 51 26.000 5.130 -18.266 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.854 4.991 -15.863 1.00 0.00 H new ATOM 0 HD3 LYS A 51 25.118 4.866 -16.070 1.00 0.00 H new ATOM 0 HE2 LYS A 51 25.991 3.187 -14.469 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.204 2.439 -15.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.361 1.416 -15.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.309 1.938 -16.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.148 2.850 -15.665 1.00 0.00 H new ATOM 817 N GLN A 52 22.349 2.513 -16.787 1.00 0.00 N ATOM 818 CA GLN A 52 21.519 1.529 -16.118 1.00 0.00 C ATOM 819 C GLN A 52 20.115 1.561 -16.726 1.00 0.00 C ATOM 820 O GLN A 52 19.409 2.569 -16.642 1.00 0.00 O ATOM 821 CB GLN A 52 21.481 1.830 -14.610 1.00 0.00 C ATOM 822 CG GLN A 52 20.244 1.282 -13.905 1.00 0.00 C ATOM 823 CD GLN A 52 19.570 2.265 -12.958 1.00 0.00 C ATOM 824 OE1 GLN A 52 18.352 2.272 -12.848 1.00 0.00 O ATOM 825 NE2 GLN A 52 20.337 3.053 -12.223 1.00 0.00 N ATOM 0 H GLN A 52 22.282 3.453 -16.396 1.00 0.00 H new ATOM 0 HA GLN A 52 21.932 0.530 -16.254 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.371 1.409 -14.142 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.524 2.909 -14.463 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.521 0.969 -14.658 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.526 0.391 -13.344 1.00 0.00 H new ATOM 0 HE21 GLN A 52 21.351 3.027 -12.335 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.915 3.687 -11.544 1.00 0.00 H new ATOM 834 N LYS A 53 19.733 0.485 -17.391 1.00 0.00 N ATOM 835 CA LYS A 53 18.421 0.410 -18.012 1.00 0.00 C ATOM 836 C LYS A 53 17.501 -0.521 -17.235 1.00 0.00 C ATOM 837 O LYS A 53 17.922 -1.583 -16.777 1.00 0.00 O ATOM 838 CB LYS A 53 18.543 -0.079 -19.452 1.00 0.00 C ATOM 839 CG LYS A 53 19.502 0.730 -20.305 1.00 0.00 C ATOM 840 CD LYS A 53 18.797 1.866 -21.021 1.00 0.00 C ATOM 841 CE LYS A 53 18.892 3.182 -20.262 1.00 0.00 C ATOM 842 NZ LYS A 53 17.977 3.259 -19.091 1.00 0.00 N ATOM 0 H LYS A 53 20.310 -0.347 -17.515 1.00 0.00 H new ATOM 0 HA LYS A 53 17.991 1.412 -18.005 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.870 -1.119 -19.444 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.557 -0.059 -19.915 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.296 1.133 -19.676 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.976 0.077 -21.038 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.231 1.990 -22.013 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.748 1.607 -21.162 1.00 0.00 H new ATOM 0 HE2 LYS A 53 19.918 3.323 -19.921 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.667 4.002 -20.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.514 4.190 -19.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.255 2.514 -19.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 18.522 3.126 -18.215 1.00 0.00 H new ATOM 856 N LEU A 54 16.246 -0.114 -17.092 1.00 0.00 N ATOM 857 CA LEU A 54 15.250 -0.931 -16.419 1.00 0.00 C ATOM 858 C LEU A 54 14.245 -1.439 -17.435 1.00 0.00 C ATOM 859 O LEU A 54 13.644 -0.658 -18.174 1.00 0.00 O ATOM 860 CB LEU A 54 14.506 -0.147 -15.326 1.00 0.00 C ATOM 861 CG LEU A 54 15.369 0.533 -14.260 1.00 0.00 C ATOM 862 CD1 LEU A 54 16.477 -0.397 -13.802 1.00 0.00 C ATOM 863 CD2 LEU A 54 15.933 1.852 -14.773 1.00 0.00 C ATOM 0 H LEU A 54 15.895 0.780 -17.435 1.00 0.00 H new ATOM 0 HA LEU A 54 15.770 -1.762 -15.943 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.898 0.617 -15.810 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.820 -0.830 -14.824 1.00 0.00 H new ATOM 0 HG LEU A 54 14.738 0.758 -13.400 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.081 0.102 -13.044 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.041 -1.302 -13.380 1.00 0.00 H new ATOM 0 HD13 LEU A 54 17.106 -0.660 -14.652 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.542 2.314 -13.996 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.548 1.667 -15.654 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.113 2.520 -15.037 1.00 0.00 H new ATOM 875 N GLN A 55 14.070 -2.741 -17.479 1.00 0.00 N ATOM 876 CA GLN A 55 13.158 -3.352 -18.424 1.00 0.00 C ATOM 877 C GLN A 55 12.003 -4.048 -17.712 1.00 0.00 C ATOM 878 O GLN A 55 12.193 -5.038 -17.015 1.00 0.00 O ATOM 879 CB GLN A 55 13.919 -4.347 -19.286 1.00 0.00 C ATOM 880 CG GLN A 55 13.026 -5.260 -20.099 1.00 0.00 C ATOM 881 CD GLN A 55 13.805 -6.321 -20.840 1.00 0.00 C ATOM 882 OE1 GLN A 55 14.042 -7.411 -20.319 1.00 0.00 O ATOM 883 NE2 GLN A 55 14.186 -6.016 -22.063 1.00 0.00 N ATOM 0 H GLN A 55 14.550 -3.402 -16.868 1.00 0.00 H new ATOM 0 HA GLN A 55 12.734 -2.569 -19.052 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.575 -3.800 -19.963 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.557 -4.955 -18.645 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.304 -5.739 -19.438 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.458 -4.665 -20.814 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.966 -5.099 -22.452 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.701 -6.697 -22.621 1.00 0.00 H new ATOM 892 N TYR A 56 10.805 -3.544 -17.917 1.00 0.00 N ATOM 893 CA TYR A 56 9.619 -4.125 -17.311 1.00 0.00 C ATOM 894 C TYR A 56 8.872 -4.933 -18.334 1.00 0.00 C ATOM 895 O TYR A 56 8.281 -4.389 -19.259 1.00 0.00 O ATOM 896 CB TYR A 56 8.726 -3.043 -16.703 1.00 0.00 C ATOM 897 CG TYR A 56 7.367 -3.539 -16.228 1.00 0.00 C ATOM 898 CD1 TYR A 56 7.251 -4.717 -15.499 1.00 0.00 C ATOM 899 CD2 TYR A 56 6.205 -2.823 -16.499 1.00 0.00 C ATOM 900 CE1 TYR A 56 6.021 -5.167 -15.059 1.00 0.00 C ATOM 901 CE2 TYR A 56 4.973 -3.270 -16.063 1.00 0.00 C ATOM 902 CZ TYR A 56 4.886 -4.442 -15.344 1.00 0.00 C ATOM 903 OH TYR A 56 3.659 -4.884 -14.905 1.00 0.00 O ATOM 0 H TYR A 56 10.623 -2.728 -18.502 1.00 0.00 H new ATOM 0 HA TYR A 56 9.926 -4.785 -16.500 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.248 -2.590 -15.860 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.574 -2.257 -17.443 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.138 -5.290 -15.273 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.268 -1.902 -17.060 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.950 -6.084 -14.493 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.081 -2.703 -16.285 1.00 0.00 H new ATOM 0 HH TYR A 56 2.964 -4.255 -15.191 1.00 0.00 H new ATOM 913 N GLU A 57 8.949 -6.242 -18.167 1.00 0.00 N ATOM 914 CA GLU A 57 8.296 -7.180 -19.058 1.00 0.00 C ATOM 915 C GLU A 57 8.742 -6.982 -20.506 1.00 0.00 C ATOM 916 O GLU A 57 7.994 -7.247 -21.443 1.00 0.00 O ATOM 917 CB GLU A 57 6.787 -7.029 -18.921 1.00 0.00 C ATOM 918 CG GLU A 57 6.293 -7.456 -17.561 1.00 0.00 C ATOM 919 CD GLU A 57 6.676 -8.885 -17.242 1.00 0.00 C ATOM 920 OE1 GLU A 57 5.989 -9.816 -17.712 1.00 0.00 O ATOM 921 OE2 GLU A 57 7.686 -9.087 -16.542 1.00 0.00 O ATOM 0 H GLU A 57 9.468 -6.683 -17.408 1.00 0.00 H new ATOM 0 HA GLU A 57 8.583 -8.193 -18.777 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.510 -5.989 -19.096 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.293 -7.624 -19.689 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.705 -6.792 -16.801 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.209 -7.354 -17.520 1.00 0.00 H new ATOM 928 N GLY A 58 9.980 -6.543 -20.673 1.00 0.00 N ATOM 929 CA GLY A 58 10.531 -6.376 -22.003 1.00 0.00 C ATOM 930 C GLY A 58 10.461 -4.941 -22.481 1.00 0.00 C ATOM 931 O GLY A 58 10.825 -4.636 -23.617 1.00 0.00 O ATOM 0 H GLY A 58 10.614 -6.299 -19.912 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.569 -6.707 -22.007 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.990 -7.015 -22.700 1.00 0.00 H new ATOM 935 N ILE A 59 10.016 -4.053 -21.604 1.00 0.00 N ATOM 936 CA ILE A 59 9.849 -2.659 -21.951 1.00 0.00 C ATOM 937 C ILE A 59 10.929 -1.833 -21.273 1.00 0.00 C ATOM 938 O ILE A 59 10.992 -1.786 -20.044 1.00 0.00 O ATOM 939 CB ILE A 59 8.465 -2.148 -21.501 1.00 0.00 C ATOM 940 CG1 ILE A 59 7.374 -3.156 -21.886 1.00 0.00 C ATOM 941 CG2 ILE A 59 8.179 -0.783 -22.112 1.00 0.00 C ATOM 942 CD1 ILE A 59 6.030 -2.883 -21.246 1.00 0.00 C ATOM 0 H ILE A 59 9.764 -4.280 -20.642 1.00 0.00 H new ATOM 0 HA ILE A 59 9.928 -2.561 -23.034 1.00 0.00 H new ATOM 0 HB ILE A 59 8.467 -2.043 -20.416 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.256 -3.152 -22.970 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.702 -4.156 -21.605 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.199 -0.436 -21.785 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.941 -0.073 -21.790 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.192 -0.861 -23.199 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.314 -3.639 -21.568 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.130 -2.917 -20.161 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.677 -1.897 -21.547 1.00 0.00 H new ATOM 954 N PHE A 60 11.803 -1.225 -22.060 1.00 0.00 N ATOM 955 CA PHE A 60 12.804 -0.321 -21.509 1.00 0.00 C ATOM 956 C PHE A 60 12.132 0.934 -20.981 1.00 0.00 C ATOM 957 O PHE A 60 11.880 1.883 -21.722 1.00 0.00 O ATOM 958 CB PHE A 60 13.869 0.051 -22.549 1.00 0.00 C ATOM 959 CG PHE A 60 14.916 -1.005 -22.757 1.00 0.00 C ATOM 960 CD1 PHE A 60 14.955 -2.138 -21.958 1.00 0.00 C ATOM 961 CD2 PHE A 60 15.869 -0.861 -23.753 1.00 0.00 C ATOM 962 CE1 PHE A 60 15.922 -3.105 -22.151 1.00 0.00 C ATOM 963 CE2 PHE A 60 16.838 -1.826 -23.949 1.00 0.00 C ATOM 964 CZ PHE A 60 16.863 -2.949 -23.147 1.00 0.00 C ATOM 0 H PHE A 60 11.841 -1.338 -23.073 1.00 0.00 H new ATOM 0 HA PHE A 60 13.306 -0.839 -20.692 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.378 0.253 -23.501 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.357 0.975 -22.240 1.00 0.00 H new ATOM 0 HD1 PHE A 60 14.221 -2.266 -21.176 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.854 0.016 -24.383 1.00 0.00 H new ATOM 0 HE1 PHE A 60 15.941 -3.983 -21.522 1.00 0.00 H new ATOM 0 HE2 PHE A 60 17.575 -1.702 -24.729 1.00 0.00 H new ATOM 0 HZ PHE A 60 17.619 -3.705 -23.299 1.00 0.00 H new ATOM 974 N ILE A 61 11.810 0.907 -19.701 1.00 0.00 N ATOM 975 CA ILE A 61 11.116 2.018 -19.065 1.00 0.00 C ATOM 976 C ILE A 61 12.095 3.136 -18.718 1.00 0.00 C ATOM 977 O ILE A 61 13.279 2.889 -18.472 1.00 0.00 O ATOM 978 CB ILE A 61 10.355 1.560 -17.797 1.00 0.00 C ATOM 979 CG1 ILE A 61 11.331 1.296 -16.644 1.00 0.00 C ATOM 980 CG2 ILE A 61 9.525 0.321 -18.108 1.00 0.00 C ATOM 981 CD1 ILE A 61 10.932 0.162 -15.721 1.00 0.00 C ATOM 0 H ILE A 61 12.017 0.127 -19.078 1.00 0.00 H new ATOM 0 HA ILE A 61 10.384 2.399 -19.777 1.00 0.00 H new ATOM 0 HB ILE A 61 9.681 2.357 -17.483 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.314 1.077 -17.061 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.430 2.208 -16.055 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.993 0.005 -17.211 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.806 0.553 -18.894 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.182 -0.482 -18.442 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.681 0.050 -14.937 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.965 0.384 -15.269 1.00 0.00 H new ATOM 0 HD13 ILE A 61 10.862 -0.764 -16.292 1.00 0.00 H new ATOM 993 N LYS A 62 11.604 4.365 -18.734 1.00 0.00 N ATOM 994 CA LYS A 62 12.418 5.522 -18.399 1.00 0.00 C ATOM 995 C LYS A 62 11.975 6.091 -17.058 1.00 0.00 C ATOM 996 O LYS A 62 10.853 5.835 -16.615 1.00 0.00 O ATOM 997 CB LYS A 62 12.309 6.581 -19.500 1.00 0.00 C ATOM 998 CG LYS A 62 10.913 7.160 -19.669 1.00 0.00 C ATOM 999 CD LYS A 62 10.576 7.384 -21.137 1.00 0.00 C ATOM 1000 CE LYS A 62 9.223 8.058 -21.304 1.00 0.00 C ATOM 1001 NZ LYS A 62 8.707 7.949 -22.696 1.00 0.00 N ATOM 0 H LYS A 62 10.639 4.587 -18.977 1.00 0.00 H new ATOM 0 HA LYS A 62 13.462 5.217 -18.321 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.003 7.392 -19.279 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.625 6.140 -20.446 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.182 6.484 -19.226 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.842 8.105 -19.130 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.349 7.999 -21.599 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.574 6.428 -21.660 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.507 7.607 -20.617 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.307 9.110 -21.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.783 8.422 -22.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.376 8.402 -23.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.601 6.946 -22.949 1.00 0.00 H new ATOM 1015 N ASP A 63 12.839 6.878 -16.430 1.00 0.00 N ATOM 1016 CA ASP A 63 12.570 7.402 -15.092 1.00 0.00 C ATOM 1017 C ASP A 63 11.407 8.383 -15.091 1.00 0.00 C ATOM 1018 O ASP A 63 10.823 8.664 -14.043 1.00 0.00 O ATOM 1019 CB ASP A 63 13.817 8.079 -14.520 1.00 0.00 C ATOM 1020 CG ASP A 63 14.223 9.329 -15.276 1.00 0.00 C ATOM 1021 OD1 ASP A 63 13.740 10.425 -14.928 1.00 0.00 O ATOM 1022 OD2 ASP A 63 15.041 9.219 -16.211 1.00 0.00 O ATOM 0 H ASP A 63 13.734 7.169 -16.824 1.00 0.00 H new ATOM 0 HA ASP A 63 12.297 6.554 -14.463 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.635 8.337 -13.477 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.645 7.370 -14.533 1.00 0.00 H new ATOM 1027 N SER A 64 11.050 8.880 -16.265 1.00 0.00 N ATOM 1028 CA SER A 64 9.985 9.861 -16.375 1.00 0.00 C ATOM 1029 C SER A 64 8.628 9.165 -16.494 1.00 0.00 C ATOM 1030 O SER A 64 7.600 9.812 -16.703 1.00 0.00 O ATOM 1031 CB SER A 64 10.238 10.785 -17.571 1.00 0.00 C ATOM 1032 OG SER A 64 9.421 11.946 -17.507 1.00 0.00 O ATOM 0 H SER A 64 11.481 8.620 -17.152 1.00 0.00 H new ATOM 0 HA SER A 64 9.972 10.470 -15.471 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.288 11.077 -17.592 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.038 10.247 -18.498 1.00 0.00 H new ATOM 0 HG SER A 64 8.509 11.691 -17.254 1.00 0.00 H new ATOM 1038 N ASN A 65 8.634 7.845 -16.349 1.00 0.00 N ATOM 1039 CA ASN A 65 7.407 7.069 -16.307 1.00 0.00 C ATOM 1040 C ASN A 65 7.167 6.625 -14.882 1.00 0.00 C ATOM 1041 O ASN A 65 8.069 6.697 -14.045 1.00 0.00 O ATOM 1042 CB ASN A 65 7.476 5.841 -17.217 1.00 0.00 C ATOM 1043 CG ASN A 65 7.457 6.186 -18.691 1.00 0.00 C ATOM 1044 OD1 ASN A 65 6.890 7.196 -19.102 1.00 0.00 O ATOM 1045 ND2 ASN A 65 8.065 5.336 -19.498 1.00 0.00 N ATOM 0 H ASN A 65 9.484 7.289 -16.258 1.00 0.00 H new ATOM 0 HA ASN A 65 6.590 7.697 -16.663 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.385 5.282 -16.993 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.635 5.184 -16.994 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.076 5.506 -20.504 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.524 4.509 -19.116 1.00 0.00 H new ATOM 1052 N SER A 66 5.980 6.140 -14.607 1.00 0.00 N ATOM 1053 CA SER A 66 5.625 5.785 -13.259 1.00 0.00 C ATOM 1054 C SER A 66 5.171 4.346 -13.200 1.00 0.00 C ATOM 1055 O SER A 66 4.914 3.721 -14.234 1.00 0.00 O ATOM 1056 CB SER A 66 4.538 6.721 -12.743 1.00 0.00 C ATOM 1057 OG SER A 66 3.368 6.632 -13.536 1.00 0.00 O ATOM 0 H SER A 66 5.247 5.983 -15.299 1.00 0.00 H new ATOM 0 HA SER A 66 6.501 5.890 -12.620 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.300 6.471 -11.709 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.906 7.747 -12.746 1.00 0.00 H new ATOM 0 HG SER A 66 3.256 7.460 -14.049 1.00 0.00 H new ATOM 1063 N LEU A 67 5.087 3.820 -11.996 1.00 0.00 N ATOM 1064 CA LEU A 67 4.645 2.457 -11.803 1.00 0.00 C ATOM 1065 C LEU A 67 3.187 2.335 -12.217 1.00 0.00 C ATOM 1066 O LEU A 67 2.804 1.395 -12.910 1.00 0.00 O ATOM 1067 CB LEU A 67 4.818 2.065 -10.341 1.00 0.00 C ATOM 1068 CG LEU A 67 6.135 2.530 -9.708 1.00 0.00 C ATOM 1069 CD1 LEU A 67 6.111 2.336 -8.206 1.00 0.00 C ATOM 1070 CD2 LEU A 67 7.322 1.799 -10.318 1.00 0.00 C ATOM 0 H LEU A 67 5.319 4.317 -11.136 1.00 0.00 H new ATOM 0 HA LEU A 67 5.244 1.785 -12.418 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.988 2.478 -9.767 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.754 0.980 -10.259 1.00 0.00 H new ATOM 0 HG LEU A 67 6.245 3.594 -9.916 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.056 2.673 -7.780 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.293 2.915 -7.777 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.967 1.280 -7.978 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.243 2.148 -9.851 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.214 0.727 -10.151 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.360 1.998 -11.389 1.00 0.00 H new ATOM 1082 N ALA A 68 2.385 3.313 -11.796 1.00 0.00 N ATOM 1083 CA ALA A 68 0.977 3.392 -12.173 1.00 0.00 C ATOM 1084 C ALA A 68 0.814 3.486 -13.683 1.00 0.00 C ATOM 1085 O ALA A 68 -0.116 2.916 -14.247 1.00 0.00 O ATOM 1086 CB ALA A 68 0.314 4.588 -11.504 1.00 0.00 C ATOM 0 H ALA A 68 2.694 4.070 -11.186 1.00 0.00 H new ATOM 0 HA ALA A 68 0.491 2.478 -11.833 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.735 4.632 -11.796 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.386 4.485 -10.421 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.816 5.504 -11.816 1.00 0.00 H new ATOM 1092 N TYR A 69 1.726 4.202 -14.331 1.00 0.00 N ATOM 1093 CA TYR A 69 1.686 4.375 -15.777 1.00 0.00 C ATOM 1094 C TYR A 69 1.752 3.031 -16.492 1.00 0.00 C ATOM 1095 O TYR A 69 0.960 2.757 -17.390 1.00 0.00 O ATOM 1096 CB TYR A 69 2.836 5.272 -16.237 1.00 0.00 C ATOM 1097 CG TYR A 69 2.887 5.481 -17.729 1.00 0.00 C ATOM 1098 CD1 TYR A 69 2.036 6.382 -18.351 1.00 0.00 C ATOM 1099 CD2 TYR A 69 3.787 4.775 -18.515 1.00 0.00 C ATOM 1100 CE1 TYR A 69 2.079 6.574 -19.718 1.00 0.00 C ATOM 1101 CE2 TYR A 69 3.838 4.961 -19.882 1.00 0.00 C ATOM 1102 CZ TYR A 69 2.981 5.863 -20.480 1.00 0.00 C ATOM 1103 OH TYR A 69 3.029 6.063 -21.842 1.00 0.00 O ATOM 0 H TYR A 69 2.506 4.674 -13.874 1.00 0.00 H new ATOM 0 HA TYR A 69 0.740 4.851 -16.033 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.746 6.241 -15.747 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.779 4.835 -15.909 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.329 6.942 -17.757 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.458 4.069 -18.050 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.409 7.278 -20.188 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.544 4.404 -20.480 1.00 0.00 H new ATOM 0 HH TYR A 69 3.718 5.487 -22.233 1.00 0.00 H new ATOM 1113 N TYR A 70 2.693 2.188 -16.084 1.00 0.00 N ATOM 1114 CA TYR A 70 2.844 0.871 -16.696 1.00 0.00 C ATOM 1115 C TYR A 70 1.992 -0.169 -15.982 1.00 0.00 C ATOM 1116 O TYR A 70 2.058 -1.356 -16.298 1.00 0.00 O ATOM 1117 CB TYR A 70 4.309 0.436 -16.697 1.00 0.00 C ATOM 1118 CG TYR A 70 5.119 1.042 -17.820 1.00 0.00 C ATOM 1119 CD1 TYR A 70 4.863 0.701 -19.142 1.00 0.00 C ATOM 1120 CD2 TYR A 70 6.136 1.950 -17.563 1.00 0.00 C ATOM 1121 CE1 TYR A 70 5.598 1.247 -20.176 1.00 0.00 C ATOM 1122 CE2 TYR A 70 6.878 2.501 -18.592 1.00 0.00 C ATOM 1123 CZ TYR A 70 6.604 2.145 -19.898 1.00 0.00 C ATOM 1124 OH TYR A 70 7.336 2.694 -20.929 1.00 0.00 O ATOM 0 H TYR A 70 3.359 2.389 -15.338 1.00 0.00 H new ATOM 0 HA TYR A 70 2.501 0.948 -17.728 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.762 0.711 -15.744 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.357 -0.650 -16.771 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.075 -0.003 -19.365 1.00 0.00 H new ATOM 0 HD2 TYR A 70 6.352 2.231 -16.543 1.00 0.00 H new ATOM 0 HE1 TYR A 70 5.385 0.971 -21.198 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.667 3.206 -18.375 1.00 0.00 H new ATOM 0 HH TYR A 70 6.777 2.752 -21.732 1.00 0.00 H new ATOM 1134 N ASN A 71 1.193 0.296 -15.024 1.00 0.00 N ATOM 1135 CA ASN A 71 0.295 -0.568 -14.261 1.00 0.00 C ATOM 1136 C ASN A 71 1.066 -1.690 -13.574 1.00 0.00 C ATOM 1137 O ASN A 71 0.660 -2.852 -13.617 1.00 0.00 O ATOM 1138 CB ASN A 71 -0.797 -1.153 -15.167 1.00 0.00 C ATOM 1139 CG ASN A 71 -1.767 -0.103 -15.685 1.00 0.00 C ATOM 1140 OD1 ASN A 71 -2.275 -0.207 -16.803 1.00 0.00 O ATOM 1141 ND2 ASN A 71 -2.042 0.913 -14.880 1.00 0.00 N ATOM 0 H ASN A 71 1.150 1.279 -14.755 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.179 0.042 -13.492 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.328 -1.655 -16.013 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.352 -1.911 -14.614 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.692 1.640 -15.180 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.604 0.968 -13.961 1.00 0.00 H new ATOM 1148 N MET A 72 2.182 -1.333 -12.945 1.00 0.00 N ATOM 1149 CA MET A 72 2.981 -2.294 -12.198 1.00 0.00 C ATOM 1150 C MET A 72 2.230 -2.769 -10.962 1.00 0.00 C ATOM 1151 O MET A 72 2.337 -2.179 -9.889 1.00 0.00 O ATOM 1152 CB MET A 72 4.323 -1.687 -11.787 1.00 0.00 C ATOM 1153 CG MET A 72 5.228 -1.350 -12.957 1.00 0.00 C ATOM 1154 SD MET A 72 6.846 -0.759 -12.426 1.00 0.00 S ATOM 1155 CE MET A 72 7.673 -0.567 -13.998 1.00 0.00 C ATOM 0 H MET A 72 2.553 -0.383 -12.939 1.00 0.00 H new ATOM 0 HA MET A 72 3.170 -3.148 -12.849 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.139 -0.781 -11.209 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.840 -2.385 -11.129 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.354 -2.234 -13.582 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.751 -0.589 -13.574 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.625 -0.059 -13.848 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.851 -1.548 -14.438 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.048 0.023 -14.668 1.00 0.00 H new ATOM 1165 N ALA A 73 1.436 -3.813 -11.135 1.00 0.00 N ATOM 1166 CA ALA A 73 0.673 -4.386 -10.040 1.00 0.00 C ATOM 1167 C ALA A 73 1.578 -5.179 -9.102 1.00 0.00 C ATOM 1168 O ALA A 73 2.805 -5.131 -9.215 1.00 0.00 O ATOM 1169 CB ALA A 73 -0.443 -5.266 -10.587 1.00 0.00 C ATOM 0 H ALA A 73 1.303 -4.283 -12.030 1.00 0.00 H new ATOM 0 HA ALA A 73 0.228 -3.574 -9.465 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.010 -5.691 -9.759 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.106 -4.667 -11.211 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.013 -6.071 -11.183 1.00 0.00 H new ATOM 1175 N ASN A 74 0.966 -5.902 -8.177 1.00 0.00 N ATOM 1176 CA ASN A 74 1.710 -6.700 -7.216 1.00 0.00 C ATOM 1177 C ASN A 74 2.535 -7.751 -7.954 1.00 0.00 C ATOM 1178 O ASN A 74 1.977 -8.647 -8.589 1.00 0.00 O ATOM 1179 CB ASN A 74 0.727 -7.381 -6.252 1.00 0.00 C ATOM 1180 CG ASN A 74 1.386 -7.911 -4.989 1.00 0.00 C ATOM 1181 OD1 ASN A 74 2.575 -8.207 -4.964 1.00 0.00 O ATOM 1182 ND2 ASN A 74 0.603 -8.045 -3.933 1.00 0.00 N ATOM 0 H ASN A 74 -0.047 -5.952 -8.072 1.00 0.00 H new ATOM 0 HA ASN A 74 2.383 -6.058 -6.647 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.050 -6.669 -5.975 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.235 -8.205 -6.769 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.984 -8.406 -3.058 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.382 -7.788 -3.993 1.00 0.00 H new ATOM 1189 N GLY A 75 3.852 -7.636 -7.879 1.00 0.00 N ATOM 1190 CA GLY A 75 4.705 -8.590 -8.549 1.00 0.00 C ATOM 1191 C GLY A 75 5.216 -8.089 -9.886 1.00 0.00 C ATOM 1192 O GLY A 75 5.295 -8.856 -10.848 1.00 0.00 O ATOM 0 H GLY A 75 4.342 -6.902 -7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.554 -8.825 -7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.154 -9.518 -8.701 1.00 0.00 H new ATOM 1196 N ALA A 76 5.568 -6.810 -9.954 1.00 0.00 N ATOM 1197 CA ALA A 76 6.133 -6.246 -11.173 1.00 0.00 C ATOM 1198 C ALA A 76 7.593 -6.658 -11.304 1.00 0.00 C ATOM 1199 O ALA A 76 8.430 -6.289 -10.477 1.00 0.00 O ATOM 1200 CB ALA A 76 5.999 -4.733 -11.166 1.00 0.00 C ATOM 0 H ALA A 76 5.473 -6.148 -9.184 1.00 0.00 H new ATOM 0 HA ALA A 76 5.584 -6.631 -12.032 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.425 -4.326 -12.083 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.945 -4.461 -11.104 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.530 -4.325 -10.306 1.00 0.00 H new ATOM 1206 N VAL A 77 7.895 -7.439 -12.331 1.00 0.00 N ATOM 1207 CA VAL A 77 9.246 -7.948 -12.518 1.00 0.00 C ATOM 1208 C VAL A 77 10.039 -7.070 -13.475 1.00 0.00 C ATOM 1209 O VAL A 77 9.857 -7.126 -14.693 1.00 0.00 O ATOM 1210 CB VAL A 77 9.252 -9.397 -13.052 1.00 0.00 C ATOM 1211 CG1 VAL A 77 10.672 -9.944 -13.097 1.00 0.00 C ATOM 1212 CG2 VAL A 77 8.361 -10.287 -12.201 1.00 0.00 C ATOM 0 H VAL A 77 7.227 -7.733 -13.044 1.00 0.00 H new ATOM 0 HA VAL A 77 9.715 -7.934 -11.534 1.00 0.00 H new ATOM 0 HB VAL A 77 8.855 -9.389 -14.067 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.656 -10.966 -13.476 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.281 -9.323 -13.754 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.097 -9.936 -12.093 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.380 -11.303 -12.595 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.724 -10.289 -11.173 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.339 -9.908 -12.224 1.00 0.00 H new ATOM 1222 N ILE A 78 10.909 -6.247 -12.919 1.00 0.00 N ATOM 1223 CA ILE A 78 11.784 -5.420 -13.729 1.00 0.00 C ATOM 1224 C ILE A 78 13.114 -6.127 -13.915 1.00 0.00 C ATOM 1225 O ILE A 78 13.564 -6.869 -13.044 1.00 0.00 O ATOM 1226 CB ILE A 78 12.037 -4.023 -13.108 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.748 -3.456 -12.506 1.00 0.00 C ATOM 1228 CG2 ILE A 78 12.592 -3.063 -14.154 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.560 -3.506 -13.433 1.00 0.00 C ATOM 0 H ILE A 78 11.028 -6.134 -11.912 1.00 0.00 H new ATOM 0 HA ILE A 78 11.285 -5.266 -14.686 1.00 0.00 H new ATOM 0 HB ILE A 78 12.773 -4.136 -12.312 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.510 -4.010 -11.598 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.922 -2.421 -12.212 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.763 -2.088 -13.698 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.533 -3.452 -14.542 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.877 -2.962 -14.971 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.689 -3.086 -12.931 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.775 -2.927 -14.331 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.356 -4.541 -13.708 1.00 0.00 H new ATOM 1241 N HIS A 79 13.721 -5.918 -15.059 1.00 0.00 N ATOM 1242 CA HIS A 79 14.998 -6.522 -15.384 1.00 0.00 C ATOM 1243 C HIS A 79 16.031 -5.429 -15.496 1.00 0.00 C ATOM 1244 O HIS A 79 15.925 -4.559 -16.359 1.00 0.00 O ATOM 1245 CB HIS A 79 14.931 -7.283 -16.717 1.00 0.00 C ATOM 1246 CG HIS A 79 13.923 -8.390 -16.757 1.00 0.00 C ATOM 1247 ND1 HIS A 79 14.211 -9.658 -17.210 1.00 0.00 N ATOM 1248 CD2 HIS A 79 12.614 -8.405 -16.419 1.00 0.00 C ATOM 1249 CE1 HIS A 79 13.124 -10.403 -17.149 1.00 0.00 C ATOM 1250 NE2 HIS A 79 12.135 -9.668 -16.672 1.00 0.00 N ATOM 0 H HIS A 79 13.344 -5.322 -15.796 1.00 0.00 H new ATOM 0 HA HIS A 79 15.260 -7.230 -14.598 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.703 -6.574 -17.513 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.915 -7.699 -16.932 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.048 -7.575 -16.022 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.054 -11.441 -17.440 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.178 -9.985 -16.518 1.00 0.00 H new ATOM 1259 N LEU A 80 17.002 -5.445 -14.614 1.00 0.00 N ATOM 1260 CA LEU A 80 18.082 -4.488 -14.695 1.00 0.00 C ATOM 1261 C LEU A 80 19.099 -4.967 -15.717 1.00 0.00 C ATOM 1262 O LEU A 80 19.482 -6.140 -15.728 1.00 0.00 O ATOM 1263 CB LEU A 80 18.757 -4.298 -13.337 1.00 0.00 C ATOM 1264 CG LEU A 80 20.020 -3.434 -13.364 1.00 0.00 C ATOM 1265 CD1 LEU A 80 19.706 -2.037 -13.867 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.661 -3.370 -11.990 1.00 0.00 C ATOM 0 H LEU A 80 17.068 -6.104 -13.838 1.00 0.00 H new ATOM 0 HA LEU A 80 17.672 -3.526 -15.002 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.040 -3.848 -12.650 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.012 -5.278 -12.934 1.00 0.00 H new ATOM 0 HG LEU A 80 20.728 -3.897 -14.051 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.618 -1.441 -13.878 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.300 -2.097 -14.877 1.00 0.00 H new ATOM 0 HD13 LEU A 80 18.974 -1.569 -13.208 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.557 -2.750 -12.035 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.956 -2.938 -11.279 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.931 -4.375 -11.667 1.00 0.00 H new ATOM 1278 N ALA A 81 19.526 -4.069 -16.576 1.00 0.00 N ATOM 1279 CA ALA A 81 20.468 -4.406 -17.615 1.00 0.00 C ATOM 1280 C ALA A 81 21.391 -3.235 -17.891 1.00 0.00 C ATOM 1281 O ALA A 81 20.980 -2.073 -17.819 1.00 0.00 O ATOM 1282 CB ALA A 81 19.723 -4.811 -18.872 1.00 0.00 C ATOM 0 H ALA A 81 19.232 -3.092 -16.573 1.00 0.00 H new ATOM 0 HA ALA A 81 21.078 -5.247 -17.284 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.439 -5.065 -19.654 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.096 -5.677 -18.660 1.00 0.00 H new ATOM 0 HB3 ALA A 81 19.098 -3.983 -19.207 1.00 0.00 H new ATOM 1288 N LEU A 82 22.642 -3.538 -18.182 1.00 0.00 N ATOM 1289 CA LEU A 82 23.593 -2.508 -18.527 1.00 0.00 C ATOM 1290 C LEU A 82 23.422 -2.119 -19.985 1.00 0.00 C ATOM 1291 O LEU A 82 23.217 -2.976 -20.849 1.00 0.00 O ATOM 1292 CB LEU A 82 25.022 -2.971 -18.252 1.00 0.00 C ATOM 1293 CG LEU A 82 26.101 -1.899 -18.439 1.00 0.00 C ATOM 1294 CD1 LEU A 82 25.792 -0.669 -17.601 1.00 0.00 C ATOM 1295 CD2 LEU A 82 27.461 -2.449 -18.064 1.00 0.00 C ATOM 0 H LEU A 82 23.019 -4.486 -18.185 1.00 0.00 H new ATOM 0 HA LEU A 82 23.404 -1.633 -17.905 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.076 -3.344 -17.229 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.248 -3.810 -18.910 1.00 0.00 H new ATOM 0 HG LEU A 82 26.112 -1.610 -19.490 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.572 0.078 -17.750 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.830 -0.255 -17.903 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.752 -0.947 -16.548 1.00 0.00 H new ATOM 0 HD21 LEU A 82 28.217 -1.676 -18.202 1.00 0.00 H new ATOM 0 HD22 LEU A 82 27.451 -2.764 -17.021 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.696 -3.303 -18.699 1.00 0.00 H new ATOM 1307 N LYS A 83 23.473 -0.821 -20.227 1.00 0.00 N ATOM 1308 CA LYS A 83 23.281 -0.245 -21.546 1.00 0.00 C ATOM 1309 C LYS A 83 24.138 -0.922 -22.618 1.00 0.00 C ATOM 1310 O LYS A 83 25.359 -0.756 -22.658 1.00 0.00 O ATOM 1311 CB LYS A 83 23.583 1.248 -21.470 1.00 0.00 C ATOM 1312 CG LYS A 83 23.653 1.949 -22.808 1.00 0.00 C ATOM 1313 CD LYS A 83 23.701 3.451 -22.617 1.00 0.00 C ATOM 1314 CE LYS A 83 22.336 4.009 -22.275 1.00 0.00 C ATOM 1315 NZ LYS A 83 22.343 5.493 -22.276 1.00 0.00 N ATOM 0 H LYS A 83 23.652 -0.127 -19.501 1.00 0.00 H new ATOM 0 HA LYS A 83 22.246 -0.408 -21.846 1.00 0.00 H new ATOM 0 HB2 LYS A 83 22.816 1.729 -20.863 1.00 0.00 H new ATOM 0 HB3 LYS A 83 24.532 1.387 -20.953 1.00 0.00 H new ATOM 0 HG2 LYS A 83 24.536 1.617 -23.353 1.00 0.00 H new ATOM 0 HG3 LYS A 83 22.786 1.681 -23.412 1.00 0.00 H new ATOM 0 HD2 LYS A 83 24.405 3.696 -21.822 1.00 0.00 H new ATOM 0 HD3 LYS A 83 24.071 3.923 -23.527 1.00 0.00 H new ATOM 0 HE2 LYS A 83 21.602 3.646 -22.995 1.00 0.00 H new ATOM 0 HE3 LYS A 83 22.028 3.646 -21.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 21.376 5.845 -22.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 22.697 5.839 -21.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 22.961 5.837 -23.039 1.00 0.00 H new ATOM 1329 N GLU A 84 23.460 -1.698 -23.462 1.00 0.00 N ATOM 1330 CA GLU A 84 24.061 -2.364 -24.614 1.00 0.00 C ATOM 1331 C GLU A 84 25.293 -3.178 -24.221 1.00 0.00 C ATOM 1332 O GLU A 84 26.393 -2.944 -24.729 1.00 0.00 O ATOM 1333 CB GLU A 84 24.402 -1.350 -25.716 1.00 0.00 C ATOM 1334 CG GLU A 84 24.675 -1.999 -27.065 1.00 0.00 C ATOM 1335 CD GLU A 84 23.573 -2.957 -27.470 1.00 0.00 C ATOM 1336 OE1 GLU A 84 22.478 -2.485 -27.843 1.00 0.00 O ATOM 1337 OE2 GLU A 84 23.793 -4.185 -27.407 1.00 0.00 O ATOM 0 H GLU A 84 22.462 -1.884 -23.362 1.00 0.00 H new ATOM 0 HA GLU A 84 23.323 -3.063 -25.007 1.00 0.00 H new ATOM 0 HB2 GLU A 84 23.577 -0.645 -25.820 1.00 0.00 H new ATOM 0 HB3 GLU A 84 25.277 -0.775 -25.413 1.00 0.00 H new ATOM 0 HG2 GLU A 84 24.779 -1.225 -27.825 1.00 0.00 H new ATOM 0 HG3 GLU A 84 25.623 -2.535 -27.024 1.00 0.00 H new ATOM 1344 N ARG A 85 25.090 -4.123 -23.301 1.00 0.00 N ATOM 1345 CA ARG A 85 26.123 -5.078 -22.887 1.00 0.00 C ATOM 1346 C ARG A 85 27.277 -4.397 -22.144 1.00 0.00 C ATOM 1347 O ARG A 85 27.401 -4.532 -20.928 1.00 0.00 O ATOM 1348 CB ARG A 85 26.647 -5.871 -24.097 1.00 0.00 C ATOM 1349 CG ARG A 85 27.781 -6.835 -23.766 1.00 0.00 C ATOM 1350 CD ARG A 85 27.396 -7.804 -22.657 1.00 0.00 C ATOM 1351 NE ARG A 85 26.253 -8.640 -23.019 1.00 0.00 N ATOM 1352 CZ ARG A 85 25.331 -9.056 -22.150 1.00 0.00 C ATOM 1353 NH1 ARG A 85 25.389 -8.662 -20.879 1.00 0.00 N ATOM 1354 NH2 ARG A 85 24.351 -9.851 -22.551 1.00 0.00 N ATOM 0 H ARG A 85 24.200 -4.249 -22.819 1.00 0.00 H new ATOM 0 HA ARG A 85 25.657 -5.773 -22.188 1.00 0.00 H new ATOM 0 HB2 ARG A 85 25.822 -6.434 -24.534 1.00 0.00 H new ATOM 0 HB3 ARG A 85 26.991 -5.169 -24.856 1.00 0.00 H new ATOM 0 HG2 ARG A 85 28.053 -7.396 -24.660 1.00 0.00 H new ATOM 0 HG3 ARG A 85 28.662 -6.269 -23.464 1.00 0.00 H new ATOM 0 HD2 ARG A 85 28.249 -8.441 -22.423 1.00 0.00 H new ATOM 0 HD3 ARG A 85 27.160 -7.242 -21.753 1.00 0.00 H new ATOM 0 HE ARG A 85 26.155 -8.922 -23.994 1.00 0.00 H new ATOM 0 HH11 ARG A 85 26.138 -8.042 -20.571 1.00 0.00 H new ATOM 0 HH12 ARG A 85 24.684 -8.980 -20.214 1.00 0.00 H new ATOM 0 HH21 ARG A 85 24.300 -10.146 -23.526 1.00 0.00 H new ATOM 0 HH22 ARG A 85 23.647 -10.168 -21.885 1.00 0.00 H new ATOM 1368 N GLY A 86 28.113 -3.683 -22.877 1.00 0.00 N ATOM 1369 CA GLY A 86 29.285 -3.074 -22.294 1.00 0.00 C ATOM 1370 C GLY A 86 30.524 -3.385 -23.103 1.00 0.00 C ATOM 1371 O GLY A 86 30.402 -3.546 -24.336 1.00 0.00 O ATOM 1372 OXT GLY A 86 31.619 -3.484 -22.516 1.00 0.00 O ATOM 0 H GLY A 86 27.998 -3.513 -23.876 1.00 0.00 H new ATOM 0 HA2 GLY A 86 29.147 -1.994 -22.237 1.00 0.00 H new ATOM 0 HA3 GLY A 86 29.415 -3.433 -21.273 1.00 0.00 H new TER 1376 GLY A 86