USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 820 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 102 THR OG1 : rot -80:sc= 0.669 USER MOD Set 1.2: A 103 ASN : amide:sc= -5.25! K(o=-4.6!,f=-0.8) USER MOD Set 2.1: A 87 LYS NZ :NH3+ -120:sc= 1.04 (180deg=-0.817) USER MOD Set 2.2: A 89 THR OG1 : rot 97:sc= 1.02 USER MOD Set 3.1: A 67 TYR OH : rot 85:sc= 0.607 USER MOD Set 3.2: A 80 MET CE :methyl -110:sc= -0.211 (180deg=-1.8) USER MOD Set 4.1: A 52 ASN : amide:sc= -0.658 K(o=-0.66,f=-4.6!) USER MOD Set 4.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 31 ASN : amide:sc= -2.81 K(o=-9.4,f=-21!) USER MOD Set 5.2: A 33 HIS : no HD1:sc= -6.59! C(o=-9.4!,f=-19!) USER MOD Single : A 5 LYS NZ :NH3+ 149:sc= 0.0106 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -2.01! C(o=-2!,f=-3.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0422 USER MOD Single : A 16 GLN : amide:sc= -3.26! C(o=-3.3!,f=-3.1!) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -3.19! K(o=-3.2!,f=-1.8) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -145:sc= -0.24 (180deg=-1.32!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= 0.0886 K(o=0.089,f=-2.6!) USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= -0.243 (180deg=-1.37!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 85:sc= -0.641 USER MOD Single : A 42 GLN : amide:sc= -4.95! K(o=-4.9!,f=-0.57) USER MOD Single : A 47 THR OG1 : rot 31:sc= 0.303 USER MOD Single : A 48 TYR OH : rot 15:sc= -0.806 USER MOD Single : A 49 THR OG1 : rot -68:sc= -0.0762 USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= -0.0456 (180deg=-0.628) USER MOD Single : A 54 ASN : amide:sc= -9.9! C(o=-9.9!,f=-4.5!) USER MOD Single : A 55 LYS NZ :NH3+ -140:sc= 0.82 (180deg=0.59) USER MOD Single : A 58 THR OG1 : rot -160:sc= -0.927 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 81:sc= -2.78! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -4.81! K(o=-4.8!,f=-0.51) USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= -1.72! (180deg=-2.63!) USER MOD Single : A 73 LYS NZ :NH3+ 159:sc=-0.00574 (180deg=-0.2) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -157:sc= -0.0403 (180deg=-0.365) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 147:sc= 0.0585 USER MOD Single : A 99 LYS NZ :NH3+ -105:sc= -1.24! (180deg=-3.05!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.590 8.475 -9.099 1.00 0.00 N ATOM 11 CA ASP A 2 74.009 7.672 -10.172 1.00 0.00 C ATOM 12 C ASP A 2 74.377 6.205 -10.002 1.00 0.00 C ATOM 13 O ASP A 2 75.394 5.747 -10.521 1.00 0.00 O ATOM 14 CB ASP A 2 74.513 8.167 -11.528 1.00 0.00 C ATOM 15 CG ASP A 2 74.004 9.580 -11.793 1.00 0.00 C ATOM 16 OD1 ASP A 2 73.543 10.209 -10.854 1.00 0.00 O ATOM 17 OD2 ASP A 2 74.083 10.013 -12.931 1.00 0.00 O1- ATOM 0 HA ASP A 2 72.925 7.773 -10.127 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.603 8.156 -11.546 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.174 7.496 -12.317 1.00 0.00 H new ATOM 22 N VAL A 3 73.541 5.471 -9.276 1.00 0.00 N ATOM 23 CA VAL A 3 73.786 4.054 -9.051 1.00 0.00 C ATOM 24 C VAL A 3 74.176 3.373 -10.358 1.00 0.00 C ATOM 25 O VAL A 3 74.751 2.284 -10.354 1.00 0.00 O ATOM 26 CB VAL A 3 72.530 3.392 -8.474 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.316 3.734 -9.346 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.726 1.874 -8.436 1.00 0.00 C ATOM 0 H VAL A 3 72.694 5.832 -8.837 1.00 0.00 H new ATOM 0 HA VAL A 3 74.605 3.948 -8.340 1.00 0.00 H new ATOM 0 HB VAL A 3 72.359 3.762 -7.463 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.426 3.261 -8.932 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.176 4.815 -9.367 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.482 3.370 -10.360 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.833 1.402 -8.026 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.900 1.504 -9.446 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.584 1.634 -7.809 1.00 0.00 H new ATOM 38 N GLU A 4 73.858 4.019 -11.477 1.00 0.00 N ATOM 39 CA GLU A 4 74.181 3.459 -12.785 1.00 0.00 C ATOM 40 C GLU A 4 75.680 3.546 -13.051 1.00 0.00 C ATOM 41 O GLU A 4 76.343 2.530 -13.270 1.00 0.00 O ATOM 42 CB GLU A 4 73.420 4.210 -13.879 1.00 0.00 C ATOM 43 CG GLU A 4 71.922 3.919 -13.752 1.00 0.00 C ATOM 44 CD GLU A 4 71.124 4.919 -14.581 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.001 4.704 -15.776 1.00 0.00 O1- ATOM 46 OE2 GLU A 4 70.646 5.884 -14.010 1.00 0.00 O ATOM 0 H GLU A 4 73.382 4.921 -11.505 1.00 0.00 H new ATOM 0 HA GLU A 4 73.884 2.410 -12.793 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.602 5.281 -13.793 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.779 3.904 -14.862 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.711 2.904 -14.089 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.619 3.977 -12.707 1.00 0.00 H new ATOM 53 N LYS A 5 76.212 4.761 -13.024 1.00 0.00 N ATOM 54 CA LYS A 5 77.636 4.956 -13.256 1.00 0.00 C ATOM 55 C LYS A 5 78.425 4.423 -12.070 1.00 0.00 C ATOM 56 O LYS A 5 79.604 4.091 -12.192 1.00 0.00 O ATOM 57 CB LYS A 5 77.943 6.449 -13.460 1.00 0.00 C ATOM 58 CG LYS A 5 77.840 6.818 -14.948 1.00 0.00 C ATOM 59 CD LYS A 5 76.365 6.898 -15.371 1.00 0.00 C ATOM 60 CE LYS A 5 75.780 8.261 -14.983 1.00 0.00 C ATOM 61 NZ LYS A 5 74.455 8.436 -15.643 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.686 5.617 -12.846 1.00 0.00 H new ATOM 0 HA LYS A 5 77.926 4.413 -14.156 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.245 7.053 -12.880 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.943 6.675 -13.091 1.00 0.00 H new ATOM 0 HG2 LYS A 5 78.331 7.775 -15.128 1.00 0.00 H new ATOM 0 HG3 LYS A 5 78.360 6.074 -15.552 1.00 0.00 H new ATOM 0 HD2 LYS A 5 76.279 6.749 -16.447 1.00 0.00 H new ATOM 0 HD3 LYS A 5 75.797 6.100 -14.892 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.671 8.328 -13.900 1.00 0.00 H new ATOM 0 HE3 LYS A 5 76.458 9.059 -15.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 73.842 9.023 -15.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 74.585 8.901 -16.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 74.012 7.506 -15.785 1.00 0.00 H new ATOM 75 N GLY A 6 77.761 4.324 -10.926 1.00 0.00 N ATOM 76 CA GLY A 6 78.409 3.806 -9.731 1.00 0.00 C ATOM 77 C GLY A 6 78.698 2.326 -9.918 1.00 0.00 C ATOM 78 O GLY A 6 79.732 1.816 -9.482 1.00 0.00 O ATOM 0 H GLY A 6 76.785 4.593 -10.801 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.335 4.348 -9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.769 3.956 -8.862 1.00 0.00 H new ATOM 82 N LYS A 7 77.775 1.648 -10.591 1.00 0.00 N ATOM 83 CA LYS A 7 77.929 0.229 -10.861 1.00 0.00 C ATOM 84 C LYS A 7 79.069 0.009 -11.847 1.00 0.00 C ATOM 85 O LYS A 7 79.869 -0.911 -11.686 1.00 0.00 O ATOM 86 CB LYS A 7 76.628 -0.334 -11.439 1.00 0.00 C ATOM 87 CG LYS A 7 76.712 -1.863 -11.507 1.00 0.00 C ATOM 88 CD LYS A 7 75.572 -2.408 -12.377 1.00 0.00 C ATOM 89 CE LYS A 7 75.998 -2.411 -13.849 1.00 0.00 C ATOM 90 NZ LYS A 7 74.912 -3.005 -14.679 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.916 2.059 -10.957 1.00 0.00 H new ATOM 0 HA LYS A 7 78.159 -0.287 -9.929 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.783 -0.034 -10.819 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.454 0.075 -12.434 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.674 -2.165 -11.921 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.650 -2.285 -10.504 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.313 -3.419 -12.062 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.680 -1.796 -12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.208 -1.394 -14.180 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.918 -2.983 -13.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.201 -3.007 -15.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.732 -3.981 -14.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 74.045 -2.442 -14.570 1.00 0.00 H new ATOM 104 N LYS A 8 79.142 0.861 -12.866 1.00 0.00 N ATOM 105 CA LYS A 8 80.196 0.742 -13.868 1.00 0.00 C ATOM 106 C LYS A 8 81.574 0.874 -13.223 1.00 0.00 C ATOM 107 O LYS A 8 82.481 0.080 -13.489 1.00 0.00 O ATOM 108 CB LYS A 8 80.022 1.829 -14.936 1.00 0.00 C ATOM 109 CG LYS A 8 81.184 1.765 -15.942 1.00 0.00 C ATOM 110 CD LYS A 8 82.224 2.848 -15.620 1.00 0.00 C ATOM 111 CE LYS A 8 81.786 4.183 -16.227 1.00 0.00 C ATOM 112 NZ LYS A 8 82.553 5.292 -15.593 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.492 1.632 -13.019 1.00 0.00 H new ATOM 0 HA LYS A 8 80.121 -0.242 -14.331 1.00 0.00 H new ATOM 0 HB2 LYS A 8 79.073 1.693 -15.454 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.990 2.812 -14.465 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.651 0.781 -15.908 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.806 1.903 -16.955 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.336 2.948 -14.540 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.198 2.560 -16.016 1.00 0.00 H new ATOM 0 HE2 LYS A 8 81.956 4.178 -17.304 1.00 0.00 H new ATOM 0 HE3 LYS A 8 80.717 4.331 -16.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.256 6.199 -16.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.370 5.300 -14.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 83.570 5.152 -15.762 1.00 0.00 H new ATOM 126 N ILE A 9 81.725 1.884 -12.374 1.00 0.00 N ATOM 127 CA ILE A 9 82.993 2.121 -11.699 1.00 0.00 C ATOM 128 C ILE A 9 83.298 1.006 -10.706 1.00 0.00 C ATOM 129 O ILE A 9 84.450 0.793 -10.333 1.00 0.00 O ATOM 130 CB ILE A 9 82.939 3.458 -10.961 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.650 4.582 -11.958 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.281 3.719 -10.280 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.178 5.827 -11.203 1.00 0.00 C ATOM 0 H ILE A 9 80.988 2.549 -12.138 1.00 0.00 H new ATOM 0 HA ILE A 9 83.783 2.143 -12.450 1.00 0.00 H new ATOM 0 HB ILE A 9 82.149 3.425 -10.211 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.547 4.811 -12.534 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.887 4.264 -12.669 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.243 4.673 -9.754 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.489 2.920 -9.569 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.070 3.751 -11.031 1.00 0.00 H new ATOM 0 HD11 ILE A 9 81.972 6.627 -11.914 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.270 5.593 -10.647 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.955 6.148 -10.510 1.00 0.00 H new ATOM 145 N PHE A 10 82.261 0.308 -10.268 1.00 0.00 N ATOM 146 CA PHE A 10 82.434 -0.771 -9.302 1.00 0.00 C ATOM 147 C PHE A 10 82.882 -2.068 -9.980 1.00 0.00 C ATOM 148 O PHE A 10 83.866 -2.681 -9.568 1.00 0.00 O ATOM 149 CB PHE A 10 81.115 -1.011 -8.554 1.00 0.00 C ATOM 150 CG PHE A 10 81.072 -2.431 -8.039 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.589 -3.458 -8.860 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.529 -2.724 -6.750 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.565 -4.776 -8.392 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.502 -4.042 -6.281 1.00 0.00 C ATOM 155 CZ PHE A 10 81.022 -5.070 -7.103 1.00 0.00 C ATOM 0 H PHE A 10 81.297 0.466 -10.562 1.00 0.00 H new ATOM 0 HA PHE A 10 83.212 -0.471 -8.600 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.024 -0.310 -7.724 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.271 -0.829 -9.219 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.235 -3.232 -9.855 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.903 -1.933 -6.117 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.193 -5.567 -9.026 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.852 -4.267 -5.284 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.005 -6.088 -6.742 1.00 0.00 H new ATOM 165 N VAL A 11 82.147 -2.489 -11.006 1.00 0.00 N ATOM 166 CA VAL A 11 82.469 -3.729 -11.712 1.00 0.00 C ATOM 167 C VAL A 11 83.901 -3.725 -12.219 1.00 0.00 C ATOM 168 O VAL A 11 84.534 -4.775 -12.329 1.00 0.00 O ATOM 169 CB VAL A 11 81.530 -3.926 -12.901 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.099 -4.098 -12.403 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.606 -2.706 -13.817 1.00 0.00 C ATOM 0 H VAL A 11 81.330 -1.995 -11.366 1.00 0.00 H new ATOM 0 HA VAL A 11 82.347 -4.545 -11.000 1.00 0.00 H new ATOM 0 HB VAL A 11 81.830 -4.817 -13.453 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.432 -4.238 -13.254 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.043 -4.969 -11.751 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.798 -3.209 -11.848 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.936 -2.846 -14.666 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.308 -1.816 -13.263 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.628 -2.585 -14.177 1.00 0.00 H new ATOM 181 N GLN A 12 84.399 -2.548 -12.564 1.00 0.00 N ATOM 182 CA GLN A 12 85.753 -2.446 -13.096 1.00 0.00 C ATOM 183 C GLN A 12 86.784 -2.115 -12.018 1.00 0.00 C ATOM 184 O GLN A 12 87.965 -2.422 -12.181 1.00 0.00 O ATOM 185 CB GLN A 12 85.796 -1.370 -14.179 1.00 0.00 C ATOM 186 CG GLN A 12 85.585 0.008 -13.550 1.00 0.00 C ATOM 187 CD GLN A 12 85.380 1.039 -14.652 1.00 0.00 C ATOM 188 OE1 GLN A 12 85.071 2.198 -14.374 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.538 0.681 -15.897 1.00 0.00 N ATOM 0 H GLN A 12 83.898 -1.663 -12.488 1.00 0.00 H new ATOM 0 HA GLN A 12 86.011 -3.421 -13.510 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.755 -1.400 -14.697 1.00 0.00 H new ATOM 0 HB3 GLN A 12 85.025 -1.561 -14.925 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.719 -0.011 -12.888 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.447 0.278 -12.940 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.794 -0.280 -16.123 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.406 1.362 -16.644 1.00 0.00 H new ATOM 198 N LYS A 13 86.361 -1.453 -10.943 1.00 0.00 N ATOM 199 CA LYS A 13 87.306 -1.059 -9.893 1.00 0.00 C ATOM 200 C LYS A 13 87.276 -1.963 -8.652 1.00 0.00 C ATOM 201 O LYS A 13 88.284 -2.581 -8.315 1.00 0.00 O ATOM 202 CB LYS A 13 87.035 0.393 -9.478 1.00 0.00 C ATOM 203 CG LYS A 13 88.328 1.054 -8.962 1.00 0.00 C ATOM 204 CD LYS A 13 88.932 1.955 -10.047 1.00 0.00 C ATOM 205 CE LYS A 13 89.387 1.105 -11.236 1.00 0.00 C ATOM 206 NZ LYS A 13 90.144 1.957 -12.195 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.392 -1.181 -10.775 1.00 0.00 H new ATOM 0 HA LYS A 13 88.302 -1.165 -10.323 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.646 0.954 -10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.270 0.419 -8.702 1.00 0.00 H new ATOM 0 HG2 LYS A 13 88.114 1.641 -8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 13 89.047 0.287 -8.674 1.00 0.00 H new ATOM 0 HD2 LYS A 13 88.195 2.689 -10.374 1.00 0.00 H new ATOM 0 HD3 LYS A 13 89.777 2.511 -9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 13 90.014 0.283 -10.890 1.00 0.00 H new ATOM 0 HE3 LYS A 13 88.523 0.661 -11.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 90.453 1.380 -13.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 89.532 2.727 -12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 90.976 2.360 -11.719 1.00 0.00 H new ATOM 220 N CYS A 14 86.150 -1.992 -7.938 1.00 0.00 N ATOM 221 CA CYS A 14 86.065 -2.774 -6.697 1.00 0.00 C ATOM 222 C CYS A 14 85.790 -4.262 -6.921 1.00 0.00 C ATOM 223 O CYS A 14 86.339 -5.103 -6.211 1.00 0.00 O ATOM 224 CB CYS A 14 84.983 -2.188 -5.783 1.00 0.00 C ATOM 225 SG CYS A 14 84.936 -0.379 -5.948 1.00 0.00 S ATOM 0 H CYS A 14 85.296 -1.494 -8.189 1.00 0.00 H new ATOM 0 HA CYS A 14 87.047 -2.705 -6.229 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.011 -2.609 -6.041 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.184 -2.461 -4.747 1.00 0.00 H new ATOM 0 HG CYS A 14 84.013 0.104 -5.170 1.00 0.00 H new ATOM 230 N ALA A 15 84.940 -4.594 -7.879 1.00 0.00 N ATOM 231 CA ALA A 15 84.619 -5.998 -8.123 1.00 0.00 C ATOM 232 C ALA A 15 85.894 -6.836 -8.186 1.00 0.00 C ATOM 233 O ALA A 15 85.875 -8.033 -7.896 1.00 0.00 O ATOM 234 CB ALA A 15 83.849 -6.138 -9.435 1.00 0.00 C ATOM 0 H ALA A 15 84.467 -3.929 -8.491 1.00 0.00 H new ATOM 0 HA ALA A 15 84.001 -6.358 -7.300 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.614 -7.188 -9.609 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.924 -5.564 -9.377 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.459 -5.762 -10.257 1.00 0.00 H new ATOM 240 N GLN A 16 86.996 -6.201 -8.562 1.00 0.00 N ATOM 241 CA GLN A 16 88.274 -6.898 -8.661 1.00 0.00 C ATOM 242 C GLN A 16 88.545 -7.734 -7.409 1.00 0.00 C ATOM 243 O GLN A 16 88.699 -8.952 -7.496 1.00 0.00 O ATOM 244 CB GLN A 16 89.403 -5.885 -8.865 1.00 0.00 C ATOM 245 CG GLN A 16 89.410 -5.411 -10.323 1.00 0.00 C ATOM 246 CD GLN A 16 90.136 -4.075 -10.436 1.00 0.00 C ATOM 247 OE1 GLN A 16 89.982 -3.365 -11.430 1.00 0.00 O ATOM 248 NE2 GLN A 16 90.925 -3.689 -9.471 1.00 0.00 N ATOM 0 H GLN A 16 87.033 -5.210 -8.802 1.00 0.00 H new ATOM 0 HA GLN A 16 88.230 -7.572 -9.517 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.268 -5.035 -8.196 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.362 -6.338 -8.615 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.899 -6.154 -10.953 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.387 -5.310 -10.686 1.00 0.00 H new ATOM 0 HE21 GLN A 16 91.051 -4.279 -8.648 1.00 0.00 H new ATOM 0 HE22 GLN A 16 91.416 -2.797 -9.539 1.00 0.00 H new ATOM 257 N CYS A 17 88.609 -7.079 -6.245 1.00 0.00 N ATOM 258 CA CYS A 17 88.872 -7.792 -4.991 1.00 0.00 C ATOM 259 C CYS A 17 87.763 -7.540 -3.963 1.00 0.00 C ATOM 260 O CYS A 17 88.040 -7.187 -2.816 1.00 0.00 O ATOM 261 CB CYS A 17 90.229 -7.363 -4.402 1.00 0.00 C ATOM 262 SG CYS A 17 91.263 -6.618 -5.694 1.00 0.00 S ATOM 0 H CYS A 17 88.484 -6.072 -6.145 1.00 0.00 H new ATOM 0 HA CYS A 17 88.897 -8.858 -5.218 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.074 -6.649 -3.593 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.737 -8.226 -3.972 1.00 0.00 H new ATOM 0 HG CYS A 17 92.403 -6.259 -5.184 1.00 0.00 H new ATOM 267 N HIS A 18 86.508 -7.734 -4.367 1.00 0.00 N ATOM 268 CA HIS A 18 85.386 -7.531 -3.449 1.00 0.00 C ATOM 269 C HIS A 18 84.156 -8.313 -3.906 1.00 0.00 C ATOM 270 O HIS A 18 84.208 -9.061 -4.881 1.00 0.00 O ATOM 271 CB HIS A 18 85.034 -6.043 -3.352 1.00 0.00 C ATOM 272 CG HIS A 18 85.967 -5.360 -2.389 1.00 0.00 C ATOM 273 ND1 HIS A 18 85.732 -5.327 -1.023 1.00 0.00 N ATOM 274 CD2 HIS A 18 87.133 -4.669 -2.584 1.00 0.00 C ATOM 275 CE1 HIS A 18 86.736 -4.633 -0.456 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.619 -4.207 -1.364 1.00 0.00 N ATOM 0 H HIS A 18 86.244 -8.027 -5.308 1.00 0.00 H new ATOM 0 HA HIS A 18 85.691 -7.895 -2.468 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.107 -5.578 -4.335 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.003 -5.925 -3.019 1.00 0.00 H new ATOM 0 HD2 HIS A 18 87.605 -4.507 -3.542 1.00 0.00 H new ATOM 0 HE1 HIS A 18 86.818 -4.443 0.604 1.00 0.00 H new ATOM 0 HE2 HIS A 18 88.465 -3.662 -1.199 1.00 0.00 H new ATOM 284 N THR A 19 83.053 -8.133 -3.182 1.00 0.00 N ATOM 285 CA THR A 19 81.807 -8.825 -3.503 1.00 0.00 C ATOM 286 C THR A 19 80.611 -7.901 -3.266 1.00 0.00 C ATOM 287 O THR A 19 79.624 -7.942 -4.001 1.00 0.00 O ATOM 288 CB THR A 19 81.688 -10.080 -2.627 1.00 0.00 C ATOM 289 OG1 THR A 19 82.840 -10.180 -1.803 1.00 0.00 O ATOM 290 CG2 THR A 19 81.589 -11.326 -3.508 1.00 0.00 C ATOM 0 H THR A 19 82.997 -7.516 -2.372 1.00 0.00 H new ATOM 0 HA THR A 19 81.814 -9.114 -4.554 1.00 0.00 H new ATOM 0 HB THR A 19 80.792 -10.006 -2.011 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.771 -10.978 -1.239 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.505 -12.211 -2.878 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.709 -11.251 -4.147 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.482 -11.405 -4.128 1.00 0.00 H new ATOM 298 N VAL A 20 80.714 -7.068 -2.234 1.00 0.00 N ATOM 299 CA VAL A 20 79.651 -6.127 -1.894 1.00 0.00 C ATOM 300 C VAL A 20 78.270 -6.757 -2.055 1.00 0.00 C ATOM 301 O VAL A 20 77.299 -6.066 -2.362 1.00 0.00 O ATOM 302 CB VAL A 20 79.751 -4.870 -2.765 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.160 -4.283 -2.658 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.463 -5.219 -4.225 1.00 0.00 C ATOM 0 H VAL A 20 81.525 -7.026 -1.617 1.00 0.00 H new ATOM 0 HA VAL A 20 79.780 -5.853 -0.847 1.00 0.00 H new ATOM 0 HB VAL A 20 79.019 -4.141 -2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.230 -3.389 -3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.368 -4.022 -1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.888 -5.019 -3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.537 -4.319 -4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.189 -5.954 -4.573 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.458 -5.633 -4.309 1.00 0.00 H new ATOM 314 N GLU A 21 78.182 -8.068 -1.841 1.00 0.00 N ATOM 315 CA GLU A 21 76.904 -8.767 -1.962 1.00 0.00 C ATOM 316 C GLU A 21 76.676 -9.677 -0.758 1.00 0.00 C ATOM 317 O GLU A 21 77.449 -10.602 -0.508 1.00 0.00 O ATOM 318 CB GLU A 21 76.870 -9.586 -3.258 1.00 0.00 C ATOM 319 CG GLU A 21 77.712 -10.856 -3.101 1.00 0.00 C ATOM 320 CD GLU A 21 78.083 -11.408 -4.474 1.00 0.00 C ATOM 321 OE1 GLU A 21 78.556 -10.637 -5.293 1.00 0.00 O1- ATOM 322 OE2 GLU A 21 77.888 -12.594 -4.686 1.00 0.00 O ATOM 0 H GLU A 21 78.971 -8.662 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 21 76.105 -8.026 -1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.841 -9.850 -3.503 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.251 -8.988 -4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.615 -10.636 -2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.155 -11.604 -2.537 1.00 0.00 H new ATOM 329 N LYS A 22 75.610 -9.402 -0.013 1.00 0.00 N ATOM 330 CA LYS A 22 75.288 -10.197 1.167 1.00 0.00 C ATOM 331 C LYS A 22 75.090 -11.661 0.792 1.00 0.00 C ATOM 332 O LYS A 22 74.459 -11.973 -0.218 1.00 0.00 O ATOM 333 CB LYS A 22 74.018 -9.659 1.828 1.00 0.00 C ATOM 334 CG LYS A 22 73.734 -10.444 3.114 1.00 0.00 C ATOM 335 CD LYS A 22 72.949 -9.564 4.088 1.00 0.00 C ATOM 336 CE LYS A 22 72.496 -10.401 5.285 1.00 0.00 C ATOM 337 NZ LYS A 22 71.752 -11.598 4.801 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.959 -8.640 -0.203 1.00 0.00 H new ATOM 0 HA LYS A 22 76.120 -10.125 1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 22 74.135 -8.599 2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 22 73.175 -9.746 1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 22 73.166 -11.346 2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 22 74.670 -10.765 3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 22 73.570 -8.734 4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 22 72.084 -9.131 3.586 1.00 0.00 H new ATOM 0 HE2 LYS A 22 73.360 -10.710 5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 22 71.860 -9.805 5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 70.987 -11.824 5.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 71.347 -11.399 3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 72.402 -12.407 4.733 1.00 0.00 H new ATOM 351 N GLY A 23 75.634 -12.552 1.612 1.00 0.00 N ATOM 352 CA GLY A 23 75.514 -13.983 1.360 1.00 0.00 C ATOM 353 C GLY A 23 76.436 -14.413 0.226 1.00 0.00 C ATOM 354 O GLY A 23 76.235 -15.463 -0.386 1.00 0.00 O ATOM 0 H GLY A 23 76.160 -12.311 2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.761 -14.538 2.265 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.482 -14.227 1.108 1.00 0.00 H new ATOM 358 N GLY A 24 77.449 -13.598 -0.048 1.00 0.00 N ATOM 359 CA GLY A 24 78.401 -13.904 -1.109 1.00 0.00 C ATOM 360 C GLY A 24 79.625 -14.618 -0.549 1.00 0.00 C ATOM 361 O GLY A 24 79.511 -15.453 0.349 1.00 0.00 O ATOM 0 H GLY A 24 77.631 -12.725 0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.923 -14.529 -1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.707 -12.983 -1.606 1.00 0.00 H new ATOM 365 N LYS A 25 80.792 -14.281 -1.081 1.00 0.00 N ATOM 366 CA LYS A 25 82.037 -14.892 -0.627 1.00 0.00 C ATOM 367 C LYS A 25 83.207 -13.933 -0.827 1.00 0.00 C ATOM 368 O LYS A 25 83.509 -13.533 -1.951 1.00 0.00 O ATOM 369 CB LYS A 25 82.294 -16.191 -1.398 1.00 0.00 C ATOM 370 CG LYS A 25 81.904 -16.004 -2.866 1.00 0.00 C ATOM 371 CD LYS A 25 82.471 -17.159 -3.695 1.00 0.00 C ATOM 372 CE LYS A 25 82.131 -16.945 -5.171 1.00 0.00 C ATOM 373 NZ LYS A 25 82.807 -17.989 -5.993 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.904 -13.591 -1.824 1.00 0.00 H new ATOM 0 HA LYS A 25 81.946 -15.116 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 25 83.346 -16.468 -1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.718 -17.006 -0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 25 80.819 -15.970 -2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.287 -15.053 -3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 25 83.552 -17.217 -3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 25 82.057 -18.106 -3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 25 81.052 -16.994 -5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 25 82.451 -15.953 -5.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 82.576 -17.844 -6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 83.836 -17.922 -5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 82.481 -18.930 -5.695 1.00 0.00 H new ATOM 387 N HIS A 26 83.862 -13.570 0.270 1.00 0.00 N ATOM 388 CA HIS A 26 84.998 -12.659 0.200 1.00 0.00 C ATOM 389 C HIS A 26 86.037 -13.179 -0.790 1.00 0.00 C ATOM 390 O HIS A 26 86.587 -14.266 -0.618 1.00 0.00 O ATOM 391 CB HIS A 26 85.634 -12.501 1.587 1.00 0.00 C ATOM 392 CG HIS A 26 85.436 -13.765 2.379 1.00 0.00 C ATOM 393 ND1 HIS A 26 85.977 -14.978 1.984 1.00 0.00 N ATOM 394 CD2 HIS A 26 84.761 -14.017 3.549 1.00 0.00 C ATOM 395 CE1 HIS A 26 85.622 -15.897 2.900 1.00 0.00 C ATOM 396 NE2 HIS A 26 84.880 -15.365 3.875 1.00 0.00 N ATOM 0 H HIS A 26 83.629 -13.889 1.210 1.00 0.00 H new ATOM 0 HA HIS A 26 84.642 -11.687 -0.142 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.698 -12.285 1.488 1.00 0.00 H new ATOM 0 HB3 HIS A 26 85.184 -11.657 2.111 1.00 0.00 H new ATOM 0 HD1 HIS A 26 86.541 -15.144 1.151 1.00 0.00 H new ATOM 0 HD2 HIS A 26 84.221 -13.282 4.127 1.00 0.00 H new ATOM 0 HE1 HIS A 26 85.903 -16.939 2.853 1.00 0.00 H new ATOM 405 N LYS A 27 86.293 -12.390 -1.830 1.00 0.00 N ATOM 406 CA LYS A 27 87.263 -12.766 -2.856 1.00 0.00 C ATOM 407 C LYS A 27 88.478 -11.847 -2.802 1.00 0.00 C ATOM 408 O LYS A 27 88.357 -10.634 -2.975 1.00 0.00 O ATOM 409 CB LYS A 27 86.611 -12.676 -4.237 1.00 0.00 C ATOM 410 CG LYS A 27 87.538 -13.302 -5.286 1.00 0.00 C ATOM 411 CD LYS A 27 87.023 -12.979 -6.694 1.00 0.00 C ATOM 412 CE LYS A 27 85.862 -13.912 -7.049 1.00 0.00 C ATOM 413 NZ LYS A 27 86.322 -15.327 -6.975 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.843 -11.488 -1.985 1.00 0.00 H new ATOM 0 HA LYS A 27 87.589 -13.790 -2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 27 85.651 -13.192 -4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 27 86.411 -11.634 -4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 27 88.551 -12.920 -5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 27 87.585 -14.382 -5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.695 -11.941 -6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 27 87.828 -13.092 -7.420 1.00 0.00 H new ATOM 0 HE2 LYS A 27 85.030 -13.752 -6.363 1.00 0.00 H new ATOM 0 HE3 LYS A 27 85.496 -13.689 -8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 85.808 -15.896 -7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 87.342 -15.371 -7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 86.138 -15.703 -6.023 1.00 0.00 H new ATOM 427 N THR A 28 89.648 -12.430 -2.560 1.00 0.00 N ATOM 428 CA THR A 28 90.878 -11.649 -2.483 1.00 0.00 C ATOM 429 C THR A 28 90.638 -10.361 -1.701 1.00 0.00 C ATOM 430 O THR A 28 91.316 -9.355 -1.911 1.00 0.00 O ATOM 431 CB THR A 28 91.371 -11.313 -3.896 1.00 0.00 C ATOM 432 OG1 THR A 28 91.439 -12.508 -4.664 1.00 0.00 O ATOM 433 CG2 THR A 28 92.762 -10.669 -3.832 1.00 0.00 C ATOM 0 H THR A 28 89.770 -13.432 -2.415 1.00 0.00 H new ATOM 0 HA THR A 28 91.636 -12.239 -1.968 1.00 0.00 H new ATOM 0 HB THR A 28 90.677 -10.612 -4.360 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.752 -12.298 -5.569 1.00 0.00 H new ATOM 0 HG21 THR A 28 93.101 -10.435 -4.841 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.712 -9.752 -3.244 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.462 -11.361 -3.365 1.00 0.00 H new ATOM 441 N GLY A 29 89.667 -10.405 -0.796 1.00 0.00 N ATOM 442 CA GLY A 29 89.336 -9.245 0.020 1.00 0.00 C ATOM 443 C GLY A 29 88.042 -9.483 0.793 1.00 0.00 C ATOM 444 O GLY A 29 87.231 -10.328 0.414 1.00 0.00 O ATOM 0 H GLY A 29 89.097 -11.230 -0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.149 -9.040 0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.230 -8.365 -0.615 1.00 0.00 H new ATOM 448 N PRO A 30 87.837 -8.761 1.862 1.00 0.00 N ATOM 449 CA PRO A 30 86.612 -8.900 2.707 1.00 0.00 C ATOM 450 C PRO A 30 85.357 -8.391 1.999 1.00 0.00 C ATOM 451 O PRO A 30 85.429 -7.865 0.888 1.00 0.00 O ATOM 452 CB PRO A 30 86.928 -8.051 3.944 1.00 0.00 C ATOM 453 CG PRO A 30 87.935 -7.047 3.484 1.00 0.00 C ATOM 454 CD PRO A 30 88.748 -7.728 2.384 1.00 0.00 C ATOM 0 HA PRO A 30 86.395 -9.942 2.943 1.00 0.00 H new ATOM 0 HB2 PRO A 30 86.031 -7.563 4.326 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.325 -8.665 4.752 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.445 -6.150 3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.578 -6.736 4.307 1.00 0.00 H new ATOM 0 HD2 PRO A 30 89.039 -7.022 1.607 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.666 -8.166 2.777 1.00 0.00 H new ATOM 462 N ASN A 31 84.210 -8.549 2.655 1.00 0.00 N ATOM 463 CA ASN A 31 82.941 -8.100 2.092 1.00 0.00 C ATOM 464 C ASN A 31 82.591 -6.719 2.635 1.00 0.00 C ATOM 465 O ASN A 31 83.146 -6.288 3.645 1.00 0.00 O ATOM 466 CB ASN A 31 81.833 -9.093 2.456 1.00 0.00 C ATOM 467 CG ASN A 31 81.408 -8.900 3.909 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.684 -7.955 4.224 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.816 -9.743 4.816 1.00 0.00 N ATOM 0 H ASN A 31 84.134 -8.984 3.575 1.00 0.00 H new ATOM 0 HA ASN A 31 83.033 -8.044 1.007 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.976 -8.951 1.797 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.185 -10.113 2.305 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.536 -9.621 5.789 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.416 -10.525 4.553 1.00 0.00 H new ATOM 476 N LEU A 32 81.667 -6.030 1.970 1.00 0.00 N ATOM 477 CA LEU A 32 81.253 -4.698 2.413 1.00 0.00 C ATOM 478 C LEU A 32 79.790 -4.719 2.852 1.00 0.00 C ATOM 479 O LEU A 32 79.064 -3.742 2.672 1.00 0.00 O ATOM 480 CB LEU A 32 81.421 -3.669 1.289 1.00 0.00 C ATOM 481 CG LEU A 32 82.801 -3.799 0.626 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.035 -2.600 -0.307 1.00 0.00 C ATOM 483 CD2 LEU A 32 83.901 -3.826 1.695 1.00 0.00 C ATOM 0 H LEU A 32 81.194 -6.366 1.131 1.00 0.00 H new ATOM 0 HA LEU A 32 81.887 -4.414 3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.640 -3.810 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.300 -2.663 1.691 1.00 0.00 H new ATOM 0 HG LEU A 32 82.833 -4.727 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.014 -2.691 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.263 -2.581 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 32 82.995 -1.676 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 32 84.874 -3.918 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.869 -2.903 2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.743 -4.676 2.359 1.00 0.00 H new ATOM 495 N HIS A 33 79.363 -5.839 3.428 1.00 0.00 N ATOM 496 CA HIS A 33 77.983 -5.973 3.888 1.00 0.00 C ATOM 497 C HIS A 33 77.684 -4.947 4.977 1.00 0.00 C ATOM 498 O HIS A 33 78.515 -4.703 5.851 1.00 0.00 O ATOM 499 CB HIS A 33 77.750 -7.382 4.437 1.00 0.00 C ATOM 500 CG HIS A 33 78.103 -8.401 3.388 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.628 -9.642 3.714 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.005 -8.383 2.018 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.824 -10.314 2.565 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.461 -9.593 1.501 1.00 0.00 N ATOM 0 H HIS A 33 79.946 -6.661 3.587 1.00 0.00 H new ATOM 0 HA HIS A 33 77.318 -5.798 3.043 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.356 -7.540 5.329 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.708 -7.499 4.735 1.00 0.00 H new ATOM 0 HD2 HIS A 33 77.631 -7.557 1.431 1.00 0.00 H new ATOM 0 HE1 HIS A 33 79.226 -11.315 2.510 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.508 -9.869 0.520 1.00 0.00 H new ATOM 513 N GLY A 34 76.495 -4.346 4.917 1.00 0.00 N ATOM 514 CA GLY A 34 76.105 -3.342 5.908 1.00 0.00 C ATOM 515 C GLY A 34 77.304 -2.490 6.306 1.00 0.00 C ATOM 516 O GLY A 34 77.421 -2.048 7.449 1.00 0.00 O ATOM 0 H GLY A 34 75.793 -4.534 4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.319 -2.706 5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.692 -3.833 6.789 1.00 0.00 H new ATOM 520 N LEU A 35 78.196 -2.278 5.347 1.00 0.00 N ATOM 521 CA LEU A 35 79.402 -1.493 5.577 1.00 0.00 C ATOM 522 C LEU A 35 79.079 -0.179 6.289 1.00 0.00 C ATOM 523 O LEU A 35 79.613 0.112 7.357 1.00 0.00 O ATOM 524 CB LEU A 35 80.067 -1.202 4.226 1.00 0.00 C ATOM 525 CG LEU A 35 81.309 -0.315 4.413 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.526 -1.189 4.722 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.573 0.477 3.127 1.00 0.00 C ATOM 0 H LEU A 35 78.106 -2.641 4.398 1.00 0.00 H new ATOM 0 HA LEU A 35 80.077 -2.062 6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.351 -2.138 3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.356 -0.707 3.564 1.00 0.00 H new ATOM 0 HG LEU A 35 81.135 0.374 5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.404 -0.557 4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.345 -1.754 5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.697 -1.880 3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.454 1.105 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.743 -0.215 2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.710 1.104 2.903 1.00 0.00 H new ATOM 539 N PHE A 36 78.219 0.616 5.679 1.00 0.00 N ATOM 540 CA PHE A 36 77.849 1.908 6.247 1.00 0.00 C ATOM 541 C PHE A 36 77.312 1.766 7.671 1.00 0.00 C ATOM 542 O PHE A 36 76.115 1.558 7.870 1.00 0.00 O ATOM 543 CB PHE A 36 76.792 2.579 5.362 1.00 0.00 C ATOM 544 CG PHE A 36 77.247 2.554 3.920 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.046 1.407 3.141 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.876 3.675 3.362 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.475 1.382 1.809 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.303 3.648 2.032 1.00 0.00 C ATOM 549 CZ PHE A 36 78.103 2.502 1.254 1.00 0.00 C ATOM 0 H PHE A 36 77.763 0.395 4.794 1.00 0.00 H new ATOM 0 HA PHE A 36 78.747 2.525 6.287 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.838 2.061 5.462 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.632 3.608 5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.560 0.542 3.568 1.00 0.00 H new ATOM 0 HD2 PHE A 36 78.031 4.561 3.961 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.321 0.497 1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.788 4.513 1.604 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.433 2.482 0.226 1.00 0.00 H new ATOM 559 N GLY A 37 78.198 1.906 8.665 1.00 0.00 N ATOM 560 CA GLY A 37 77.775 1.816 10.065 1.00 0.00 C ATOM 561 C GLY A 37 78.748 1.009 10.929 1.00 0.00 C ATOM 562 O GLY A 37 78.803 1.199 12.144 1.00 0.00 O ATOM 0 H GLY A 37 79.194 2.079 8.529 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.679 2.821 10.476 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.788 1.357 10.112 1.00 0.00 H new ATOM 566 N ARG A 38 79.494 0.094 10.316 1.00 0.00 N ATOM 567 CA ARG A 38 80.430 -0.741 11.077 1.00 0.00 C ATOM 568 C ARG A 38 81.814 -0.096 11.182 1.00 0.00 C ATOM 569 O ARG A 38 82.297 0.529 10.238 1.00 0.00 O ATOM 570 CB ARG A 38 80.562 -2.115 10.409 1.00 0.00 C ATOM 571 CG ARG A 38 79.614 -3.124 11.072 1.00 0.00 C ATOM 572 CD ARG A 38 79.875 -4.529 10.508 1.00 0.00 C ATOM 573 NE ARG A 38 78.767 -4.941 9.651 1.00 0.00 N ATOM 574 CZ ARG A 38 78.963 -5.655 8.541 1.00 0.00 C ATOM 575 NH1 ARG A 38 80.170 -6.019 8.191 1.00 0.00 N ATOM 576 NH2 ARG A 38 77.944 -5.996 7.803 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.473 -0.089 9.313 1.00 0.00 H new ATOM 0 HA ARG A 38 80.029 -0.849 12.085 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.332 -2.034 9.347 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.591 -2.467 10.487 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.763 -3.122 12.152 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.578 -2.836 10.892 1.00 0.00 H new ATOM 0 HD2 ARG A 38 80.805 -4.534 9.940 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.997 -5.240 11.325 1.00 0.00 H new ATOM 0 HE ARG A 38 77.816 -4.676 9.908 1.00 0.00 H new ATOM 0 HH11 ARG A 38 80.969 -5.757 8.768 1.00 0.00 H new ATOM 0 HH12 ARG A 38 80.312 -6.565 7.341 1.00 0.00 H new ATOM 0 HH21 ARG A 38 77.001 -5.717 8.075 1.00 0.00 H new ATOM 0 HH22 ARG A 38 78.089 -6.542 6.954 1.00 0.00 H new ATOM 590 N LYS A 39 82.446 -0.274 12.344 1.00 0.00 N ATOM 591 CA LYS A 39 83.780 0.272 12.587 1.00 0.00 C ATOM 592 C LYS A 39 84.799 -0.340 11.624 1.00 0.00 C ATOM 593 O LYS A 39 84.483 -1.271 10.885 1.00 0.00 O ATOM 594 CB LYS A 39 84.204 -0.018 14.032 1.00 0.00 C ATOM 595 CG LYS A 39 83.561 1.003 14.981 1.00 0.00 C ATOM 596 CD LYS A 39 84.470 2.229 15.119 1.00 0.00 C ATOM 597 CE LYS A 39 83.790 3.269 16.011 1.00 0.00 C ATOM 598 NZ LYS A 39 84.598 4.520 16.021 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.054 -0.792 13.130 1.00 0.00 H new ATOM 0 HA LYS A 39 83.746 1.349 12.423 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.904 -1.028 14.313 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.290 0.027 14.117 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.585 1.304 14.599 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.395 0.550 15.959 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.429 1.938 15.547 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.676 2.655 14.137 1.00 0.00 H new ATOM 0 HE2 LYS A 39 82.784 3.476 15.645 1.00 0.00 H new ATOM 0 HE3 LYS A 39 83.687 2.882 17.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 84.136 5.227 16.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 85.549 4.316 16.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 84.675 4.892 15.053 1.00 0.00 H new ATOM 612 N THR A 40 86.021 0.190 11.641 1.00 0.00 N ATOM 613 CA THR A 40 87.074 -0.312 10.763 1.00 0.00 C ATOM 614 C THR A 40 87.528 -1.707 11.190 1.00 0.00 C ATOM 615 O THR A 40 87.537 -2.033 12.378 1.00 0.00 O ATOM 616 CB THR A 40 88.273 0.644 10.780 1.00 0.00 C ATOM 617 OG1 THR A 40 88.581 0.997 12.121 1.00 0.00 O ATOM 618 CG2 THR A 40 87.933 1.906 9.987 1.00 0.00 C ATOM 0 H THR A 40 86.304 0.960 12.247 1.00 0.00 H new ATOM 0 HA THR A 40 86.669 -0.373 9.753 1.00 0.00 H new ATOM 0 HB THR A 40 89.134 0.151 10.327 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.162 0.313 12.514 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.786 2.585 10.000 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.699 1.637 8.957 1.00 0.00 H new ATOM 0 HG23 THR A 40 87.071 2.398 10.438 1.00 0.00 H new ATOM 626 N GLY A 41 87.910 -2.523 10.209 1.00 0.00 N ATOM 627 CA GLY A 41 88.373 -3.879 10.486 1.00 0.00 C ATOM 628 C GLY A 41 87.417 -4.616 11.414 1.00 0.00 C ATOM 629 O GLY A 41 87.834 -5.178 12.427 1.00 0.00 O ATOM 0 H GLY A 41 87.908 -2.270 9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.470 -4.430 9.550 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.364 -3.841 10.938 1.00 0.00 H new ATOM 633 N GLN A 42 86.133 -4.607 11.069 1.00 0.00 N ATOM 634 CA GLN A 42 85.125 -5.278 11.890 1.00 0.00 C ATOM 635 C GLN A 42 84.559 -6.499 11.171 1.00 0.00 C ATOM 636 O GLN A 42 83.982 -7.386 11.798 1.00 0.00 O ATOM 637 CB GLN A 42 83.988 -4.305 12.213 1.00 0.00 C ATOM 638 CG GLN A 42 83.179 -4.836 13.399 1.00 0.00 C ATOM 639 CD GLN A 42 81.880 -4.051 13.536 1.00 0.00 C ATOM 640 OE1 GLN A 42 80.840 -4.620 13.866 1.00 0.00 O ATOM 641 NE2 GLN A 42 81.879 -2.769 13.299 1.00 0.00 N ATOM 0 H GLN A 42 85.766 -4.148 10.235 1.00 0.00 H new ATOM 0 HA GLN A 42 85.602 -5.608 12.813 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.394 -3.321 12.448 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.341 -4.184 11.344 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.961 -5.894 13.256 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.763 -4.752 14.315 1.00 0.00 H new ATOM 0 HE21 GLN A 42 82.743 -2.300 13.026 1.00 0.00 H new ATOM 0 HE22 GLN A 42 81.015 -2.235 13.387 1.00 0.00 H new ATOM 701 N THR A 47 91.958 -11.222 7.217 1.00 0.00 N ATOM 702 CA THR A 47 92.869 -10.786 8.269 1.00 0.00 C ATOM 703 C THR A 47 93.106 -9.282 8.182 1.00 0.00 C ATOM 704 O THR A 47 94.113 -8.833 7.636 1.00 0.00 O ATOM 705 CB THR A 47 94.203 -11.522 8.142 1.00 0.00 C ATOM 706 OG1 THR A 47 93.962 -12.915 7.995 1.00 0.00 O ATOM 707 CG2 THR A 47 95.044 -11.277 9.396 1.00 0.00 C ATOM 0 HA THR A 47 92.417 -11.017 9.234 1.00 0.00 H new ATOM 0 HB THR A 47 94.741 -11.152 7.269 1.00 0.00 H new ATOM 0 HG1 THR A 47 93.109 -13.052 7.532 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.995 -11.802 9.305 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.229 -10.209 9.507 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.509 -11.646 10.271 1.00 0.00 H new ATOM 715 N TYR A 48 92.172 -8.509 8.725 1.00 0.00 N ATOM 716 CA TYR A 48 92.289 -7.055 8.704 1.00 0.00 C ATOM 717 C TYR A 48 93.590 -6.618 9.366 1.00 0.00 C ATOM 718 O TYR A 48 94.119 -7.313 10.235 1.00 0.00 O ATOM 719 CB TYR A 48 91.098 -6.425 9.435 1.00 0.00 C ATOM 720 CG TYR A 48 89.945 -6.266 8.477 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.899 -5.159 7.624 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.924 -7.221 8.445 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.830 -5.006 6.738 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.852 -7.067 7.559 1.00 0.00 C ATOM 725 CZ TYR A 48 87.806 -5.959 6.705 1.00 0.00 C ATOM 726 OH TYR A 48 86.751 -5.803 5.834 1.00 0.00 O ATOM 0 H TYR A 48 91.331 -8.861 9.182 1.00 0.00 H new ATOM 0 HA TYR A 48 92.293 -6.720 7.667 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.802 -7.052 10.276 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.381 -5.455 9.844 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.689 -4.423 7.650 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.963 -8.076 9.103 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.794 -4.152 6.078 1.00 0.00 H new ATOM 0 HE2 TYR A 48 87.061 -7.802 7.534 1.00 0.00 H new ATOM 0 HH TYR A 48 86.980 -5.129 5.161 1.00 0.00 H new ATOM 736 N THR A 49 94.101 -5.466 8.949 1.00 0.00 N ATOM 737 CA THR A 49 95.345 -4.948 9.508 1.00 0.00 C ATOM 738 C THR A 49 95.083 -4.218 10.821 1.00 0.00 C ATOM 739 O THR A 49 94.003 -3.667 11.033 1.00 0.00 O ATOM 740 CB THR A 49 96.007 -3.993 8.512 1.00 0.00 C ATOM 741 OG1 THR A 49 95.200 -2.834 8.360 1.00 0.00 O ATOM 742 CG2 THR A 49 96.164 -4.692 7.159 1.00 0.00 C ATOM 0 H THR A 49 93.678 -4.877 8.232 1.00 0.00 H new ATOM 0 HA THR A 49 96.011 -5.789 9.703 1.00 0.00 H new ATOM 0 HB THR A 49 96.990 -3.703 8.884 1.00 0.00 H new ATOM 0 HG1 THR A 49 94.365 -3.074 7.907 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.635 -4.011 6.450 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.785 -5.580 7.278 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.183 -4.984 6.784 1.00 0.00 H new ATOM 750 N ASP A 50 96.080 -4.219 11.700 1.00 0.00 N ATOM 751 CA ASP A 50 95.950 -3.554 12.991 1.00 0.00 C ATOM 752 C ASP A 50 95.345 -2.165 12.818 1.00 0.00 C ATOM 753 O ASP A 50 94.498 -1.744 13.605 1.00 0.00 O ATOM 754 CB ASP A 50 97.320 -3.438 13.660 1.00 0.00 C ATOM 755 CG ASP A 50 97.206 -2.629 14.948 1.00 0.00 C ATOM 756 OD1 ASP A 50 96.091 -2.421 15.395 1.00 0.00 O ATOM 757 OD2 ASP A 50 98.235 -2.231 15.467 1.00 0.00 O1- ATOM 0 H ASP A 50 96.981 -4.670 11.543 1.00 0.00 H new ATOM 0 HA ASP A 50 95.290 -4.150 13.621 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.712 -4.431 13.878 1.00 0.00 H new ATOM 0 HB3 ASP A 50 98.026 -2.959 12.981 1.00 0.00 H new ATOM 762 N ALA A 51 95.786 -1.460 11.783 1.00 0.00 N ATOM 763 CA ALA A 51 95.283 -0.118 11.514 1.00 0.00 C ATOM 764 C ALA A 51 93.767 -0.131 11.371 1.00 0.00 C ATOM 765 O ALA A 51 93.084 0.771 11.853 1.00 0.00 O ATOM 766 CB ALA A 51 95.917 0.428 10.237 1.00 0.00 C ATOM 0 H ALA A 51 96.486 -1.792 11.120 1.00 0.00 H new ATOM 0 HA ALA A 51 95.548 0.525 12.353 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.537 1.431 10.042 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.000 0.467 10.356 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.668 -0.224 9.400 1.00 0.00 H new ATOM 772 N ASN A 52 93.244 -1.155 10.708 1.00 0.00 N ATOM 773 CA ASN A 52 91.804 -1.269 10.515 1.00 0.00 C ATOM 774 C ASN A 52 91.147 -1.850 11.764 1.00 0.00 C ATOM 775 O ASN A 52 89.978 -1.586 12.045 1.00 0.00 O ATOM 776 CB ASN A 52 91.509 -2.168 9.308 1.00 0.00 C ATOM 777 CG ASN A 52 91.491 -1.341 8.028 1.00 0.00 C ATOM 778 OD1 ASN A 52 92.172 -0.320 7.936 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.746 -1.725 7.029 1.00 0.00 N ATOM 0 H ASN A 52 93.790 -1.913 10.298 1.00 0.00 H new ATOM 0 HA ASN A 52 91.396 -0.275 10.332 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.265 -2.950 9.234 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.548 -2.665 9.442 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.726 -1.179 6.168 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.183 -2.572 7.109 1.00 0.00 H new ATOM 786 N LYS A 53 91.914 -2.631 12.515 1.00 0.00 N ATOM 787 CA LYS A 53 91.409 -3.241 13.737 1.00 0.00 C ATOM 788 C LYS A 53 91.543 -2.252 14.888 1.00 0.00 C ATOM 789 O LYS A 53 90.992 -2.454 15.969 1.00 0.00 O ATOM 790 CB LYS A 53 92.192 -4.538 14.021 1.00 0.00 C ATOM 791 CG LYS A 53 92.497 -4.683 15.517 1.00 0.00 C ATOM 792 CD LYS A 53 93.186 -6.025 15.768 1.00 0.00 C ATOM 793 CE LYS A 53 93.254 -6.292 17.273 1.00 0.00 C ATOM 794 NZ LYS A 53 93.737 -5.068 17.972 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.885 -2.856 12.299 1.00 0.00 H new ATOM 0 HA LYS A 53 90.355 -3.494 13.625 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.615 -5.397 13.680 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.124 -4.535 13.455 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.137 -3.866 15.850 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.575 -4.622 16.095 1.00 0.00 H new ATOM 0 HD2 LYS A 53 92.638 -6.825 15.271 1.00 0.00 H new ATOM 0 HD3 LYS A 53 94.190 -6.015 15.344 1.00 0.00 H new ATOM 0 HE2 LYS A 53 92.270 -6.574 17.648 1.00 0.00 H new ATOM 0 HE3 LYS A 53 93.924 -7.128 17.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 94.073 -5.321 18.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 94.517 -4.644 17.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 92.958 -4.383 18.051 1.00 0.00 H new ATOM 808 N ASN A 54 92.276 -1.174 14.636 1.00 0.00 N ATOM 809 CA ASN A 54 92.478 -0.150 15.648 1.00 0.00 C ATOM 810 C ASN A 54 91.157 0.530 15.975 1.00 0.00 C ATOM 811 O ASN A 54 91.009 1.165 17.018 1.00 0.00 O ATOM 812 CB ASN A 54 93.475 0.887 15.127 1.00 0.00 C ATOM 813 CG ASN A 54 92.754 1.982 14.342 1.00 0.00 C ATOM 814 OD1 ASN A 54 93.095 3.158 14.464 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.774 1.664 13.544 1.00 0.00 N ATOM 0 H ASN A 54 92.737 -0.989 13.745 1.00 0.00 H new ATOM 0 HA ASN A 54 92.870 -0.613 16.553 1.00 0.00 H new ATOM 0 HB2 ASN A 54 94.018 1.329 15.963 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.213 0.401 14.489 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.288 2.391 13.019 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.493 0.688 13.445 1.00 0.00 H new ATOM 822 N LYS A 55 90.205 0.387 15.068 1.00 0.00 N ATOM 823 CA LYS A 55 88.888 0.988 15.256 1.00 0.00 C ATOM 824 C LYS A 55 89.018 2.481 15.534 1.00 0.00 C ATOM 825 O LYS A 55 88.668 2.954 16.615 1.00 0.00 O ATOM 826 CB LYS A 55 88.165 0.313 16.422 1.00 0.00 C ATOM 827 CG LYS A 55 87.916 -1.158 16.085 1.00 0.00 C ATOM 828 CD LYS A 55 87.452 -1.902 17.340 1.00 0.00 C ATOM 829 CE LYS A 55 87.468 -3.409 17.075 1.00 0.00 C ATOM 830 NZ LYS A 55 88.877 -3.894 17.050 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.314 -0.136 14.199 1.00 0.00 H new ATOM 0 HA LYS A 55 88.312 0.846 14.342 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.763 0.393 17.330 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.219 0.817 16.618 1.00 0.00 H new ATOM 0 HG2 LYS A 55 87.162 -1.239 15.302 1.00 0.00 H new ATOM 0 HG3 LYS A 55 88.828 -1.612 15.697 1.00 0.00 H new ATOM 0 HD2 LYS A 55 88.105 -1.663 18.180 1.00 0.00 H new ATOM 0 HD3 LYS A 55 86.447 -1.581 17.615 1.00 0.00 H new ATOM 0 HE2 LYS A 55 86.906 -3.931 17.849 1.00 0.00 H new ATOM 0 HE3 LYS A 55 86.980 -3.627 16.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 88.989 -4.596 16.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 89.517 -3.092 16.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 89.109 -4.333 17.964 1.00 0.00 H new ATOM 844 N GLY A 56 89.528 3.221 14.553 1.00 0.00 N ATOM 845 CA GLY A 56 89.702 4.663 14.710 1.00 0.00 C ATOM 846 C GLY A 56 88.463 5.417 14.243 1.00 0.00 C ATOM 847 O GLY A 56 88.061 6.407 14.852 1.00 0.00 O ATOM 0 H GLY A 56 89.825 2.852 13.650 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.902 4.897 15.756 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.570 4.993 14.138 1.00 0.00 H new ATOM 851 N ILE A 57 87.861 4.940 13.159 1.00 0.00 N ATOM 852 CA ILE A 57 86.664 5.571 12.615 1.00 0.00 C ATOM 853 C ILE A 57 85.675 4.508 12.163 1.00 0.00 C ATOM 854 O ILE A 57 85.931 3.312 12.306 1.00 0.00 O ATOM 855 CB ILE A 57 87.033 6.474 11.433 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.607 5.625 10.284 1.00 0.00 C ATOM 857 CG2 ILE A 57 88.084 7.489 11.890 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.488 5.190 9.325 1.00 0.00 C ATOM 0 H ILE A 57 88.181 4.121 12.641 1.00 0.00 H new ATOM 0 HA ILE A 57 86.203 6.179 13.394 1.00 0.00 H new ATOM 0 HB ILE A 57 86.142 6.994 11.081 1.00 0.00 H new ATOM 0 HG12 ILE A 57 88.358 6.199 9.740 1.00 0.00 H new ATOM 0 HG13 ILE A 57 88.109 4.746 10.689 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.352 8.136 11.055 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.678 8.093 12.701 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.971 6.961 12.240 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.912 4.591 8.519 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.752 4.598 9.869 1.00 0.00 H new ATOM 0 HD13 ILE A 57 86.005 6.072 8.906 1.00 0.00 H new ATOM 870 N THR A 58 84.543 4.945 11.619 1.00 0.00 N ATOM 871 CA THR A 58 83.523 4.011 11.153 1.00 0.00 C ATOM 872 C THR A 58 83.142 4.292 9.705 1.00 0.00 C ATOM 873 O THR A 58 83.038 5.446 9.291 1.00 0.00 O ATOM 874 CB THR A 58 82.280 4.111 12.044 1.00 0.00 C ATOM 875 OG1 THR A 58 82.552 3.502 13.298 1.00 0.00 O ATOM 876 CG2 THR A 58 81.100 3.399 11.375 1.00 0.00 C ATOM 0 H THR A 58 84.310 5.930 11.491 1.00 0.00 H new ATOM 0 HA THR A 58 83.933 3.003 11.209 1.00 0.00 H new ATOM 0 HB THR A 58 82.026 5.161 12.192 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.708 3.277 13.742 1.00 0.00 H new ATOM 0 HG21 THR A 58 80.220 3.474 12.014 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.891 3.867 10.413 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.348 2.349 11.222 1.00 0.00 H new ATOM 884 N TRP A 59 82.930 3.223 8.944 1.00 0.00 N ATOM 885 CA TRP A 59 82.554 3.362 7.547 1.00 0.00 C ATOM 886 C TRP A 59 81.211 4.073 7.432 1.00 0.00 C ATOM 887 O TRP A 59 80.287 3.807 8.200 1.00 0.00 O ATOM 888 CB TRP A 59 82.451 1.989 6.875 1.00 0.00 C ATOM 889 CG TRP A 59 83.572 1.100 7.318 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.872 1.465 7.406 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.514 -0.301 7.722 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.614 0.375 7.835 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.819 -0.731 8.049 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.466 -1.230 7.837 1.00 0.00 C ATOM 895 CZ2 TRP A 59 85.073 -2.036 8.475 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.720 -2.543 8.263 1.00 0.00 C ATOM 897 CH2 TRP A 59 84.020 -2.945 8.583 1.00 0.00 C ATOM 0 H TRP A 59 83.012 2.260 9.270 1.00 0.00 H new ATOM 0 HA TRP A 59 83.325 3.949 7.047 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.495 1.528 7.122 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.478 2.105 5.792 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.267 2.444 7.179 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.624 0.390 7.975 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.457 -0.931 7.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 86.080 -2.341 8.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.905 -3.248 8.344 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.209 -3.956 8.913 1.00 0.00 H new ATOM 908 N LYS A 60 81.112 4.971 6.463 1.00 0.00 N ATOM 909 CA LYS A 60 79.882 5.717 6.236 1.00 0.00 C ATOM 910 C LYS A 60 79.847 6.207 4.795 1.00 0.00 C ATOM 911 O LYS A 60 80.613 5.729 3.961 1.00 0.00 O ATOM 912 CB LYS A 60 79.797 6.906 7.200 1.00 0.00 C ATOM 913 CG LYS A 60 79.575 6.393 8.628 1.00 0.00 C ATOM 914 CD LYS A 60 79.076 7.535 9.518 1.00 0.00 C ATOM 915 CE LYS A 60 80.223 8.505 9.803 1.00 0.00 C ATOM 916 NZ LYS A 60 79.792 9.493 10.833 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.870 5.201 5.820 1.00 0.00 H new ATOM 0 HA LYS A 60 79.028 5.064 6.416 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.714 7.493 7.152 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.980 7.566 6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.849 5.580 8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.505 5.988 9.027 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.256 8.060 9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.684 7.135 10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.098 7.958 10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.514 9.021 8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.571 10.154 11.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 78.968 10.023 10.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.535 8.993 11.708 1.00 0.00 H new ATOM 930 N GLU A 61 78.962 7.149 4.497 1.00 0.00 N ATOM 931 CA GLU A 61 78.862 7.667 3.138 1.00 0.00 C ATOM 932 C GLU A 61 80.018 8.617 2.837 1.00 0.00 C ATOM 933 O GLU A 61 80.792 8.396 1.906 1.00 0.00 O ATOM 934 CB GLU A 61 77.535 8.402 2.956 1.00 0.00 C ATOM 935 CG GLU A 61 77.462 8.980 1.541 1.00 0.00 C ATOM 936 CD GLU A 61 76.044 9.452 1.242 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.513 10.209 2.038 1.00 0.00 O ATOM 938 OE2 GLU A 61 75.510 9.050 0.222 1.00 0.00 O1- ATOM 0 H GLU A 61 78.313 7.565 5.165 1.00 0.00 H new ATOM 0 HA GLU A 61 78.910 6.826 2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.703 7.719 3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.446 9.201 3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.159 9.812 1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.763 8.225 0.815 1.00 0.00 H new ATOM 945 N GLU A 62 80.132 9.675 3.633 1.00 0.00 N ATOM 946 CA GLU A 62 81.196 10.653 3.438 1.00 0.00 C ATOM 947 C GLU A 62 82.555 10.054 3.783 1.00 0.00 C ATOM 948 O GLU A 62 83.546 10.308 3.098 1.00 0.00 O ATOM 949 CB GLU A 62 80.942 11.884 4.311 1.00 0.00 C ATOM 950 CG GLU A 62 81.030 11.490 5.787 1.00 0.00 C ATOM 951 CD GLU A 62 80.479 12.612 6.659 1.00 0.00 C ATOM 952 OE1 GLU A 62 80.539 13.753 6.231 1.00 0.00 O1- ATOM 953 OE2 GLU A 62 80.007 12.315 7.744 1.00 0.00 O ATOM 0 H GLU A 62 79.506 9.876 4.413 1.00 0.00 H new ATOM 0 HA GLU A 62 81.201 10.945 2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.674 12.660 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 62 79.959 12.301 4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 62 80.467 10.573 5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 62 82.066 11.284 6.056 1.00 0.00 H new ATOM 960 N THR A 63 82.597 9.255 4.842 1.00 0.00 N ATOM 961 CA THR A 63 83.846 8.628 5.252 1.00 0.00 C ATOM 962 C THR A 63 84.389 7.776 4.118 1.00 0.00 C ATOM 963 O THR A 63 85.600 7.696 3.907 1.00 0.00 O ATOM 964 CB THR A 63 83.623 7.753 6.485 1.00 0.00 C ATOM 965 OG1 THR A 63 82.721 6.705 6.162 1.00 0.00 O ATOM 966 CG2 THR A 63 83.043 8.599 7.615 1.00 0.00 C ATOM 0 H THR A 63 81.792 9.028 5.426 1.00 0.00 H new ATOM 0 HA THR A 63 84.564 9.410 5.498 1.00 0.00 H new ATOM 0 HB THR A 63 84.574 7.328 6.806 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.205 5.987 5.703 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.885 7.973 8.493 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.738 9.402 7.862 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.092 9.027 7.298 1.00 0.00 H new ATOM 974 N LEU A 64 83.481 7.144 3.384 1.00 0.00 N ATOM 975 CA LEU A 64 83.879 6.303 2.266 1.00 0.00 C ATOM 976 C LEU A 64 84.486 7.162 1.159 1.00 0.00 C ATOM 977 O LEU A 64 85.429 6.748 0.490 1.00 0.00 O ATOM 978 CB LEU A 64 82.670 5.523 1.721 1.00 0.00 C ATOM 979 CG LEU A 64 82.744 4.049 2.157 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.477 3.309 1.699 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.985 3.386 1.532 1.00 0.00 C ATOM 0 H LEU A 64 82.475 7.198 3.542 1.00 0.00 H new ATOM 0 HA LEU A 64 84.625 5.589 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.746 5.971 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.648 5.587 0.633 1.00 0.00 H new ATOM 0 HG LEU A 64 82.817 3.999 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.533 2.266 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.601 3.775 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.398 3.361 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.035 2.342 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.917 3.439 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.883 3.907 1.865 1.00 0.00 H new ATOM 993 N MET A 65 83.940 8.364 0.969 1.00 0.00 N ATOM 994 CA MET A 65 84.448 9.259 -0.070 1.00 0.00 C ATOM 995 C MET A 65 85.930 9.554 0.136 1.00 0.00 C ATOM 996 O MET A 65 86.750 9.305 -0.747 1.00 0.00 O ATOM 997 CB MET A 65 83.673 10.579 -0.059 1.00 0.00 C ATOM 998 CG MET A 65 82.197 10.307 -0.339 1.00 0.00 C ATOM 999 SD MET A 65 81.245 11.821 -0.056 1.00 0.00 S ATOM 1000 CE MET A 65 80.815 12.144 -1.781 1.00 0.00 C ATOM 0 H MET A 65 83.160 8.735 1.511 1.00 0.00 H new ATOM 0 HA MET A 65 84.315 8.760 -1.030 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.786 11.071 0.907 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.078 11.257 -0.811 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.066 9.968 -1.367 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.833 9.509 0.308 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.215 13.052 -1.843 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.726 12.271 -2.365 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.244 11.304 -2.177 1.00 0.00 H new ATOM 1010 N GLU A 66 86.269 10.082 1.306 1.00 0.00 N ATOM 1011 CA GLU A 66 87.659 10.403 1.607 1.00 0.00 C ATOM 1012 C GLU A 66 88.512 9.143 1.537 1.00 0.00 C ATOM 1013 O GLU A 66 89.704 9.198 1.233 1.00 0.00 O ATOM 1014 CB GLU A 66 87.765 11.020 3.003 1.00 0.00 C ATOM 1015 CG GLU A 66 86.912 12.289 3.066 1.00 0.00 C ATOM 1016 CD GLU A 66 87.309 13.125 4.279 1.00 0.00 C ATOM 1017 OE1 GLU A 66 88.253 13.889 4.164 1.00 0.00 O ATOM 1018 OE2 GLU A 66 86.665 12.987 5.306 1.00 0.00 O1- ATOM 0 H GLU A 66 85.609 10.295 2.054 1.00 0.00 H new ATOM 0 HA GLU A 66 88.020 11.121 0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.429 10.306 3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.805 11.256 3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.044 12.871 2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 66 85.856 12.025 3.126 1.00 0.00 H new ATOM 1025 N TYR A 67 87.884 8.008 1.817 1.00 0.00 N ATOM 1026 CA TYR A 67 88.576 6.726 1.782 1.00 0.00 C ATOM 1027 C TYR A 67 88.747 6.263 0.339 1.00 0.00 C ATOM 1028 O TYR A 67 89.703 5.562 0.010 1.00 0.00 O ATOM 1029 CB TYR A 67 87.770 5.696 2.577 1.00 0.00 C ATOM 1030 CG TYR A 67 88.243 4.296 2.260 1.00 0.00 C ATOM 1031 CD1 TYR A 67 87.721 3.617 1.153 1.00 0.00 C ATOM 1032 CD2 TYR A 67 89.193 3.672 3.080 1.00 0.00 C ATOM 1033 CE1 TYR A 67 88.148 2.316 0.863 1.00 0.00 C ATOM 1034 CE2 TYR A 67 89.619 2.371 2.791 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.097 1.693 1.682 1.00 0.00 C ATOM 1036 OH TYR A 67 89.516 0.410 1.398 1.00 0.00 O ATOM 0 H TYR A 67 86.898 7.949 2.071 1.00 0.00 H new ATOM 0 HA TYR A 67 89.564 6.834 2.229 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.875 5.889 3.645 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.711 5.791 2.338 1.00 0.00 H new ATOM 0 HD1 TYR A 67 86.988 4.097 0.522 1.00 0.00 H new ATOM 0 HD2 TYR A 67 89.596 4.195 3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 67 87.746 1.793 0.008 1.00 0.00 H new ATOM 0 HE2 TYR A 67 90.350 1.889 3.423 1.00 0.00 H new ATOM 0 HH TYR A 67 90.245 0.441 0.744 1.00 0.00 H new ATOM 1046 N LEU A 68 87.811 6.662 -0.514 1.00 0.00 N ATOM 1047 CA LEU A 68 87.855 6.285 -1.922 1.00 0.00 C ATOM 1048 C LEU A 68 88.861 7.148 -2.681 1.00 0.00 C ATOM 1049 O LEU A 68 89.357 6.753 -3.736 1.00 0.00 O ATOM 1050 CB LEU A 68 86.464 6.453 -2.548 1.00 0.00 C ATOM 1051 CG LEU A 68 85.571 5.252 -2.208 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.190 5.459 -2.826 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.169 3.961 -2.771 1.00 0.00 C ATOM 0 H LEU A 68 87.014 7.245 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 68 88.166 5.242 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 68 86.003 7.371 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.555 6.551 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 68 85.496 5.171 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.553 4.608 -2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.745 6.370 -2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.285 5.548 -3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.522 3.121 -2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.255 4.042 -3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.157 3.800 -2.340 1.00 0.00 H new ATOM 1065 N GLU A 69 89.158 8.326 -2.140 1.00 0.00 N ATOM 1066 CA GLU A 69 90.101 9.234 -2.775 1.00 0.00 C ATOM 1067 C GLU A 69 91.526 8.902 -2.335 1.00 0.00 C ATOM 1068 O GLU A 69 92.499 9.355 -2.938 1.00 0.00 O ATOM 1069 CB GLU A 69 89.746 10.677 -2.392 1.00 0.00 C ATOM 1070 CG GLU A 69 90.981 11.568 -2.506 1.00 0.00 C ATOM 1071 CD GLU A 69 90.569 13.036 -2.516 1.00 0.00 C ATOM 1072 OE1 GLU A 69 89.647 13.378 -1.792 1.00 0.00 O1- ATOM 1073 OE2 GLU A 69 91.180 13.797 -3.247 1.00 0.00 O ATOM 0 H GLU A 69 88.760 8.671 -1.267 1.00 0.00 H new ATOM 0 HA GLU A 69 90.042 9.124 -3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 69 88.957 11.051 -3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 69 89.359 10.707 -1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 69 91.655 11.377 -1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.528 11.330 -3.418 1.00 0.00 H new ATOM 1080 N ASN A 70 91.636 8.104 -1.281 1.00 0.00 N ATOM 1081 CA ASN A 70 92.939 7.707 -0.760 1.00 0.00 C ATOM 1082 C ASN A 70 92.766 6.690 0.369 1.00 0.00 C ATOM 1083 O ASN A 70 93.004 6.990 1.540 1.00 0.00 O ATOM 1084 CB ASN A 70 93.702 8.939 -0.251 1.00 0.00 C ATOM 1085 CG ASN A 70 95.203 8.747 -0.452 1.00 0.00 C ATOM 1086 OD1 ASN A 70 95.867 9.608 -1.031 1.00 0.00 O ATOM 1087 ND2 ASN A 70 95.779 7.665 -0.005 1.00 0.00 N ATOM 0 H ASN A 70 90.841 7.719 -0.771 1.00 0.00 H new ATOM 0 HA ASN A 70 93.514 7.246 -1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 70 93.367 9.829 -0.783 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.486 9.099 0.805 1.00 0.00 H new ATOM 0 HD21 ASN A 70 96.782 7.530 -0.135 1.00 0.00 H new ATOM 0 HD22 ASN A 70 95.227 6.954 0.474 1.00 0.00 H new ATOM 1094 N PRO A 71 92.347 5.503 0.028 1.00 0.00 N ATOM 1095 CA PRO A 71 92.116 4.403 1.011 1.00 0.00 C ATOM 1096 C PRO A 71 93.276 4.220 1.990 1.00 0.00 C ATOM 1097 O PRO A 71 93.068 3.866 3.150 1.00 0.00 O ATOM 1098 CB PRO A 71 91.959 3.162 0.127 1.00 0.00 C ATOM 1099 CG PRO A 71 91.470 3.672 -1.188 1.00 0.00 C ATOM 1100 CD PRO A 71 92.045 5.079 -1.350 1.00 0.00 C ATOM 0 HA PRO A 71 91.253 4.609 1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 71 92.907 2.636 0.016 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.252 2.456 0.562 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.797 3.024 -2.001 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.381 3.693 -1.215 1.00 0.00 H new ATOM 0 HD2 PRO A 71 92.941 5.075 -1.971 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.330 5.750 -1.826 1.00 0.00 H new ATOM 1108 N LYS A 72 94.493 4.437 1.507 1.00 0.00 N ATOM 1109 CA LYS A 72 95.675 4.265 2.344 1.00 0.00 C ATOM 1110 C LYS A 72 95.865 5.428 3.316 1.00 0.00 C ATOM 1111 O LYS A 72 96.120 5.217 4.501 1.00 0.00 O ATOM 1112 CB LYS A 72 96.919 4.142 1.461 1.00 0.00 C ATOM 1113 CG LYS A 72 98.135 3.771 2.330 1.00 0.00 C ATOM 1114 CD LYS A 72 98.686 2.402 1.911 1.00 0.00 C ATOM 1115 CE LYS A 72 97.720 1.294 2.344 1.00 0.00 C ATOM 1116 NZ LYS A 72 97.438 1.422 3.803 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.687 4.730 0.549 1.00 0.00 H new ATOM 0 HA LYS A 72 95.531 3.357 2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.761 3.382 0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.104 5.083 0.942 1.00 0.00 H new ATOM 0 HG2 LYS A 72 98.910 4.530 2.227 1.00 0.00 H new ATOM 0 HG3 LYS A 72 97.847 3.749 3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.826 2.372 0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 72 99.664 2.240 2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 72 96.792 1.363 1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.152 0.316 2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 96.938 0.573 4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 98.334 1.523 4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 96.845 2.260 3.970 1.00 0.00 H new ATOM 1130 N LYS A 73 95.767 6.651 2.808 1.00 0.00 N ATOM 1131 CA LYS A 73 95.962 7.826 3.650 1.00 0.00 C ATOM 1132 C LYS A 73 94.875 7.942 4.718 1.00 0.00 C ATOM 1133 O LYS A 73 95.104 8.517 5.782 1.00 0.00 O ATOM 1134 CB LYS A 73 95.976 9.096 2.795 1.00 0.00 C ATOM 1135 CG LYS A 73 96.709 10.211 3.549 1.00 0.00 C ATOM 1136 CD LYS A 73 96.415 11.567 2.893 1.00 0.00 C ATOM 1137 CE LYS A 73 95.168 12.188 3.526 1.00 0.00 C ATOM 1138 NZ LYS A 73 95.506 12.715 4.878 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.557 6.854 1.831 1.00 0.00 H new ATOM 0 HA LYS A 73 96.923 7.711 4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.469 8.901 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 73 94.956 9.406 2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.392 10.226 4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.782 10.020 3.544 1.00 0.00 H new ATOM 0 HD2 LYS A 73 97.268 12.234 3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 73 96.264 11.438 1.821 1.00 0.00 H new ATOM 0 HE2 LYS A 73 94.789 12.992 2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 73 94.376 11.443 3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 94.803 13.428 5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 95.502 11.935 5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 96.450 13.151 4.855 1.00 0.00 H new ATOM 1152 N TYR A 74 93.692 7.406 4.434 1.00 0.00 N ATOM 1153 CA TYR A 74 92.592 7.476 5.392 1.00 0.00 C ATOM 1154 C TYR A 74 92.907 6.643 6.632 1.00 0.00 C ATOM 1155 O TYR A 74 92.914 7.158 7.750 1.00 0.00 O ATOM 1156 CB TYR A 74 91.292 6.985 4.739 1.00 0.00 C ATOM 1157 CG TYR A 74 90.108 7.708 5.347 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.003 9.101 5.228 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.120 6.989 6.029 1.00 0.00 C ATOM 1160 CE1 TYR A 74 88.912 9.771 5.792 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.027 7.660 6.593 1.00 0.00 C ATOM 1162 CZ TYR A 74 87.925 9.051 6.474 1.00 0.00 C ATOM 1163 OH TYR A 74 86.849 9.714 7.031 1.00 0.00 O ATOM 0 H TYR A 74 93.471 6.925 3.562 1.00 0.00 H new ATOM 0 HA TYR A 74 92.464 8.514 5.698 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.325 7.162 3.664 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.186 5.910 4.882 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.764 9.657 4.701 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.200 5.916 6.121 1.00 0.00 H new ATOM 0 HE1 TYR A 74 88.832 10.844 5.701 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.264 7.105 7.119 1.00 0.00 H new ATOM 0 HH TYR A 74 86.256 9.067 7.467 1.00 0.00 H new ATOM 1173 N ILE A 75 93.177 5.358 6.424 1.00 0.00 N ATOM 1174 CA ILE A 75 93.505 4.460 7.530 1.00 0.00 C ATOM 1175 C ILE A 75 94.829 3.752 7.249 1.00 0.00 C ATOM 1176 O ILE A 75 94.854 2.555 6.958 1.00 0.00 O ATOM 1177 CB ILE A 75 92.390 3.425 7.715 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.056 4.149 7.935 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.700 2.547 8.934 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.896 3.189 7.661 1.00 0.00 C ATOM 0 H ILE A 75 93.176 4.915 5.505 1.00 0.00 H new ATOM 0 HA ILE A 75 93.600 5.045 8.445 1.00 0.00 H new ATOM 0 HB ILE A 75 92.325 2.799 6.825 1.00 0.00 H new ATOM 0 HG12 ILE A 75 90.998 4.522 8.958 1.00 0.00 H new ATOM 0 HG13 ILE A 75 90.988 5.014 7.276 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.906 1.812 9.064 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.649 2.033 8.780 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.766 3.171 9.825 1.00 0.00 H new ATOM 0 HD11 ILE A 75 88.950 3.707 7.818 1.00 0.00 H new ATOM 0 HD12 ILE A 75 89.950 2.838 6.631 1.00 0.00 H new ATOM 0 HD13 ILE A 75 89.960 2.338 8.339 1.00 0.00 H new ATOM 1192 N PRO A 76 95.920 4.471 7.323 1.00 0.00 N ATOM 1193 CA PRO A 76 97.277 3.910 7.066 1.00 0.00 C ATOM 1194 C PRO A 76 97.453 2.520 7.670 1.00 0.00 C ATOM 1195 O PRO A 76 97.237 2.321 8.864 1.00 0.00 O ATOM 1196 CB PRO A 76 98.207 4.925 7.729 1.00 0.00 C ATOM 1197 CG PRO A 76 97.483 6.229 7.636 1.00 0.00 C ATOM 1198 CD PRO A 76 95.984 5.903 7.665 1.00 0.00 C ATOM 0 HA PRO A 76 97.475 3.773 6.003 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.408 4.658 8.767 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.170 4.970 7.220 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.753 6.882 8.466 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.747 6.754 6.718 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.553 6.098 8.647 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.430 6.509 6.948 1.00 0.00 H new ATOM 1206 N GLY A 77 97.843 1.564 6.832 1.00 0.00 N ATOM 1207 CA GLY A 77 98.044 0.190 7.283 1.00 0.00 C ATOM 1208 C GLY A 77 97.079 -0.754 6.577 1.00 0.00 C ATOM 1209 O GLY A 77 97.378 -1.931 6.382 1.00 0.00 O ATOM 0 H GLY A 77 98.026 1.714 5.840 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.071 -0.117 7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 77 97.896 0.130 8.361 1.00 0.00 H new ATOM 1213 N THR A 78 95.921 -0.226 6.190 1.00 0.00 N ATOM 1214 CA THR A 78 94.921 -1.032 5.499 1.00 0.00 C ATOM 1215 C THR A 78 95.527 -1.675 4.259 1.00 0.00 C ATOM 1216 O THR A 78 96.313 -1.050 3.547 1.00 0.00 O ATOM 1217 CB THR A 78 93.736 -0.159 5.093 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.763 -0.957 4.436 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.221 0.938 4.152 1.00 0.00 C ATOM 0 H THR A 78 95.654 0.747 6.341 1.00 0.00 H new ATOM 0 HA THR A 78 94.578 -1.815 6.175 1.00 0.00 H new ATOM 0 HB THR A 78 93.291 0.292 5.980 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.002 -0.397 4.177 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.379 1.565 3.859 1.00 0.00 H new ATOM 0 HG22 THR A 78 94.968 1.548 4.659 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.664 0.486 3.264 1.00 0.00 H new ATOM 1227 N LYS A 79 95.165 -2.929 4.005 1.00 0.00 N ATOM 1228 CA LYS A 79 95.694 -3.641 2.843 1.00 0.00 C ATOM 1229 C LYS A 79 94.798 -3.423 1.622 1.00 0.00 C ATOM 1230 O LYS A 79 93.854 -4.176 1.389 1.00 0.00 O ATOM 1231 CB LYS A 79 95.799 -5.141 3.160 1.00 0.00 C ATOM 1232 CG LYS A 79 97.032 -5.740 2.468 1.00 0.00 C ATOM 1233 CD LYS A 79 98.270 -5.531 3.347 1.00 0.00 C ATOM 1234 CE LYS A 79 99.481 -6.194 2.687 1.00 0.00 C ATOM 1235 NZ LYS A 79 100.569 -6.354 3.693 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.517 -3.468 4.578 1.00 0.00 H new ATOM 0 HA LYS A 79 96.685 -3.250 2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 79 95.869 -5.289 4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 79 94.898 -5.656 2.825 1.00 0.00 H new ATOM 0 HG2 LYS A 79 96.878 -6.804 2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 79 97.180 -5.269 1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 79 98.455 -4.466 3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 79 98.103 -5.957 4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 79 99.201 -7.166 2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 79 99.830 -5.588 1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 101.392 -6.805 3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 100.842 -5.420 4.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 100.232 -6.949 4.477 1.00 0.00 H new ATOM 1249 N MET A 80 95.111 -2.393 0.842 1.00 0.00 N ATOM 1250 CA MET A 80 94.336 -2.088 -0.358 1.00 0.00 C ATOM 1251 C MET A 80 95.013 -0.982 -1.165 1.00 0.00 C ATOM 1252 O MET A 80 94.827 0.204 -0.890 1.00 0.00 O ATOM 1253 CB MET A 80 92.917 -1.649 0.028 1.00 0.00 C ATOM 1254 CG MET A 80 92.185 -1.122 -1.211 1.00 0.00 C ATOM 1255 SD MET A 80 90.412 -0.979 -0.858 1.00 0.00 S ATOM 1256 CE MET A 80 90.098 0.504 -1.848 1.00 0.00 C ATOM 0 H MET A 80 95.890 -1.759 1.017 1.00 0.00 H new ATOM 0 HA MET A 80 94.281 -2.988 -0.970 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.370 -2.489 0.456 1.00 0.00 H new ATOM 0 HB3 MET A 80 92.961 -0.874 0.793 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.588 -0.151 -1.498 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.345 -1.795 -2.053 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.894 1.346 -1.187 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.973 0.726 -2.459 1.00 0.00 H new ATOM 0 HE3 MET A 80 89.238 0.334 -2.495 1.00 0.00 H new ATOM 1266 N ILE A 81 95.795 -1.381 -2.163 1.00 0.00 N ATOM 1267 CA ILE A 81 96.498 -0.422 -3.014 1.00 0.00 C ATOM 1268 C ILE A 81 96.230 -0.721 -4.488 1.00 0.00 C ATOM 1269 O ILE A 81 96.804 -1.650 -5.055 1.00 0.00 O ATOM 1270 CB ILE A 81 98.007 -0.488 -2.748 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.315 0.070 -1.351 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.747 0.346 -3.797 1.00 0.00 C ATOM 1273 CD1 ILE A 81 97.908 -0.940 -0.269 1.00 0.00 C ATOM 0 H ILE A 81 95.959 -2.359 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 81 96.132 0.578 -2.780 1.00 0.00 H new ATOM 0 HB ILE A 81 98.334 -1.526 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.379 0.293 -1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 81 97.780 1.008 -1.201 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.820 0.299 -3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.536 -0.049 -4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.413 1.382 -3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.133 -0.529 0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 81 96.839 -1.141 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.462 -1.868 -0.410 1.00 0.00 H new ATOM 1285 N PHE A 82 95.359 0.076 -5.102 1.00 0.00 N ATOM 1286 CA PHE A 82 95.028 -0.108 -6.513 1.00 0.00 C ATOM 1287 C PHE A 82 94.984 1.239 -7.228 1.00 0.00 C ATOM 1288 O PHE A 82 95.857 1.549 -8.038 1.00 0.00 O ATOM 1289 CB PHE A 82 93.672 -0.809 -6.650 1.00 0.00 C ATOM 1290 CG PHE A 82 93.495 -1.292 -8.070 1.00 0.00 C ATOM 1291 CD1 PHE A 82 92.906 -0.457 -9.029 1.00 0.00 C ATOM 1292 CD2 PHE A 82 93.922 -2.576 -8.430 1.00 0.00 C ATOM 1293 CE1 PHE A 82 92.745 -0.907 -10.345 1.00 0.00 C ATOM 1294 CE2 PHE A 82 93.762 -3.025 -9.746 1.00 0.00 C ATOM 1295 CZ PHE A 82 93.173 -2.190 -10.703 1.00 0.00 C ATOM 0 H PHE A 82 94.873 0.850 -4.649 1.00 0.00 H new ATOM 0 HA PHE A 82 95.799 -0.727 -6.971 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.614 -1.650 -5.959 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.868 -0.123 -6.385 1.00 0.00 H new ATOM 0 HD1 PHE A 82 92.576 0.534 -8.753 1.00 0.00 H new ATOM 0 HD2 PHE A 82 94.375 -3.221 -7.691 1.00 0.00 H new ATOM 0 HE1 PHE A 82 92.290 -0.264 -11.084 1.00 0.00 H new ATOM 0 HE2 PHE A 82 94.093 -4.015 -10.023 1.00 0.00 H new ATOM 0 HZ PHE A 82 93.049 -2.537 -11.718 1.00 0.00 H new ATOM 1305 N ALA A 83 93.965 2.036 -6.918 1.00 0.00 N ATOM 1306 CA ALA A 83 93.817 3.351 -7.532 1.00 0.00 C ATOM 1307 C ALA A 83 92.633 4.096 -6.921 1.00 0.00 C ATOM 1308 O ALA A 83 91.494 3.634 -6.993 1.00 0.00 O ATOM 1309 CB ALA A 83 93.602 3.206 -9.040 1.00 0.00 C ATOM 0 H ALA A 83 93.234 1.796 -6.249 1.00 0.00 H new ATOM 0 HA ALA A 83 94.729 3.920 -7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.493 4.193 -9.489 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.459 2.699 -9.483 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.700 2.622 -9.224 1.00 0.00 H new ATOM 1315 N GLY A 84 92.910 5.249 -6.322 1.00 0.00 N ATOM 1316 CA GLY A 84 91.856 6.049 -5.705 1.00 0.00 C ATOM 1317 C GLY A 84 90.959 6.672 -6.768 1.00 0.00 C ATOM 1318 O GLY A 84 91.230 6.561 -7.963 1.00 0.00 O ATOM 0 H GLY A 84 93.846 5.649 -6.250 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.260 5.424 -5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.300 6.833 -5.092 1.00 0.00 H new ATOM 1322 N ILE A 85 89.892 7.332 -6.326 1.00 0.00 N ATOM 1323 CA ILE A 85 88.964 7.971 -7.258 1.00 0.00 C ATOM 1324 C ILE A 85 89.417 9.397 -7.562 1.00 0.00 C ATOM 1325 O ILE A 85 90.162 9.999 -6.789 1.00 0.00 O ATOM 1326 CB ILE A 85 87.553 7.985 -6.663 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.017 6.544 -6.566 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.628 8.820 -7.550 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.351 6.131 -7.884 1.00 0.00 C ATOM 0 H ILE A 85 89.649 7.439 -5.341 1.00 0.00 H new ATOM 0 HA ILE A 85 88.953 7.402 -8.188 1.00 0.00 H new ATOM 0 HB ILE A 85 87.587 8.424 -5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.834 5.860 -6.334 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.298 6.471 -5.750 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.625 8.828 -7.124 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.005 9.841 -7.609 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.594 8.387 -8.550 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.978 5.110 -7.799 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.521 6.804 -8.099 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.080 6.184 -8.692 1.00 0.00 H new ATOM 1341 N LYS A 86 88.978 9.926 -8.703 1.00 0.00 N ATOM 1342 CA LYS A 86 89.360 11.276 -9.109 1.00 0.00 C ATOM 1343 C LYS A 86 88.305 12.306 -8.710 1.00 0.00 C ATOM 1344 O LYS A 86 88.526 13.108 -7.803 1.00 0.00 O ATOM 1345 CB LYS A 86 89.564 11.319 -10.626 1.00 0.00 C ATOM 1346 CG LYS A 86 90.892 10.648 -10.984 1.00 0.00 C ATOM 1347 CD LYS A 86 91.118 10.736 -12.495 1.00 0.00 C ATOM 1348 CE LYS A 86 92.587 10.445 -12.809 1.00 0.00 C ATOM 1349 NZ LYS A 86 93.424 11.606 -12.393 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.362 9.444 -9.358 1.00 0.00 H new ATOM 0 HA LYS A 86 90.289 11.528 -8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 86 88.741 10.811 -11.128 1.00 0.00 H new ATOM 0 HB3 LYS A 86 89.561 12.352 -10.974 1.00 0.00 H new ATOM 0 HG2 LYS A 86 91.711 11.134 -10.454 1.00 0.00 H new ATOM 0 HG3 LYS A 86 90.882 9.605 -10.667 1.00 0.00 H new ATOM 0 HD2 LYS A 86 90.476 10.022 -13.012 1.00 0.00 H new ATOM 0 HD3 LYS A 86 90.847 11.728 -12.857 1.00 0.00 H new ATOM 0 HE2 LYS A 86 92.910 9.545 -12.287 1.00 0.00 H new ATOM 0 HE3 LYS A 86 92.712 10.257 -13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 94.315 11.601 -12.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 92.910 12.490 -12.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 93.631 11.538 -11.376 1.00 0.00 H new ATOM 1363 N LYS A 87 87.169 12.296 -9.403 1.00 0.00 N ATOM 1364 CA LYS A 87 86.105 13.256 -9.116 1.00 0.00 C ATOM 1365 C LYS A 87 85.259 12.811 -7.928 1.00 0.00 C ATOM 1366 O LYS A 87 85.275 11.642 -7.540 1.00 0.00 O ATOM 1367 CB LYS A 87 85.208 13.426 -10.345 1.00 0.00 C ATOM 1368 CG LYS A 87 86.061 13.389 -11.617 1.00 0.00 C ATOM 1369 CD LYS A 87 85.293 14.037 -12.774 1.00 0.00 C ATOM 1370 CE LYS A 87 83.991 13.268 -13.035 1.00 0.00 C ATOM 1371 NZ LYS A 87 82.861 13.951 -12.342 1.00 0.00 N1+ ATOM 0 H LYS A 87 86.962 11.643 -10.158 1.00 0.00 H new ATOM 0 HA LYS A 87 86.574 14.208 -8.866 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.461 12.633 -10.374 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.668 14.371 -10.285 1.00 0.00 H new ATOM 0 HG2 LYS A 87 87.001 13.916 -11.452 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.313 12.359 -11.867 1.00 0.00 H new ATOM 0 HD2 LYS A 87 85.069 15.077 -12.536 1.00 0.00 H new ATOM 0 HD3 LYS A 87 85.909 14.041 -13.673 1.00 0.00 H new ATOM 0 HE2 LYS A 87 83.796 13.216 -14.106 1.00 0.00 H new ATOM 0 HE3 LYS A 87 84.084 12.243 -12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 82.428 13.298 -11.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 83.217 14.791 -11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 82.149 14.241 -13.042 1.00 0.00 H new ATOM 1385 N LYS A 88 84.514 13.752 -7.357 1.00 0.00 N ATOM 1386 CA LYS A 88 83.659 13.443 -6.220 1.00 0.00 C ATOM 1387 C LYS A 88 82.475 12.598 -6.667 1.00 0.00 C ATOM 1388 O LYS A 88 82.163 11.584 -6.048 1.00 0.00 O ATOM 1389 CB LYS A 88 83.154 14.731 -5.564 1.00 0.00 C ATOM 1390 CG LYS A 88 82.622 14.412 -4.162 1.00 0.00 C ATOM 1391 CD LYS A 88 82.180 15.706 -3.464 1.00 0.00 C ATOM 1392 CE LYS A 88 80.717 16.005 -3.805 1.00 0.00 C ATOM 1393 NZ LYS A 88 80.280 17.234 -3.084 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.486 14.725 -7.660 1.00 0.00 H new ATOM 0 HA LYS A 88 84.245 12.882 -5.492 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.961 15.461 -5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.366 15.177 -6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.782 13.721 -4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.395 13.917 -3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 88 82.299 15.607 -2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 88 82.813 16.535 -3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.604 16.142 -4.880 1.00 0.00 H new ATOM 0 HE3 LYS A 88 80.087 15.161 -3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 79.287 17.437 -3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 80.374 17.087 -2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 80.874 18.037 -3.374 1.00 0.00 H new ATOM 1407 N THR A 89 81.819 13.015 -7.748 1.00 0.00 N ATOM 1408 CA THR A 89 80.674 12.269 -8.256 1.00 0.00 C ATOM 1409 C THR A 89 81.054 10.813 -8.487 1.00 0.00 C ATOM 1410 O THR A 89 80.210 9.923 -8.402 1.00 0.00 O ATOM 1411 CB THR A 89 80.173 12.873 -9.567 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.244 12.935 -10.499 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.628 14.279 -9.313 1.00 0.00 C ATOM 0 H THR A 89 82.057 13.852 -8.281 1.00 0.00 H new ATOM 0 HA THR A 89 79.879 12.325 -7.512 1.00 0.00 H new ATOM 0 HB THR A 89 79.376 12.249 -9.972 1.00 0.00 H new ATOM 0 HG1 THR A 89 81.207 12.156 -11.092 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.272 14.706 -10.250 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.804 14.227 -8.602 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.420 14.908 -8.905 1.00 0.00 H new ATOM 1421 N GLU A 90 82.330 10.573 -8.767 1.00 0.00 N ATOM 1422 CA GLU A 90 82.796 9.213 -8.987 1.00 0.00 C ATOM 1423 C GLU A 90 82.729 8.450 -7.671 1.00 0.00 C ATOM 1424 O GLU A 90 82.417 7.260 -7.642 1.00 0.00 O ATOM 1425 CB GLU A 90 84.231 9.217 -9.520 1.00 0.00 C ATOM 1426 CG GLU A 90 84.228 9.569 -11.008 1.00 0.00 C ATOM 1427 CD GLU A 90 85.659 9.648 -11.528 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.495 10.190 -10.825 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.898 9.166 -12.623 1.00 0.00 O ATOM 0 H GLU A 90 83.049 11.292 -8.846 1.00 0.00 H new ATOM 0 HA GLU A 90 82.160 8.728 -9.728 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.832 9.939 -8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.688 8.239 -9.369 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.670 8.817 -11.567 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.723 10.522 -11.164 1.00 0.00 H new ATOM 1436 N ARG A 91 83.007 9.159 -6.580 1.00 0.00 N ATOM 1437 CA ARG A 91 82.959 8.557 -5.253 1.00 0.00 C ATOM 1438 C ARG A 91 81.511 8.418 -4.799 1.00 0.00 C ATOM 1439 O ARG A 91 81.098 7.362 -4.329 1.00 0.00 O ATOM 1440 CB ARG A 91 83.717 9.428 -4.248 1.00 0.00 C ATOM 1441 CG ARG A 91 85.213 9.406 -4.566 1.00 0.00 C ATOM 1442 CD ARG A 91 85.993 10.147 -3.472 1.00 0.00 C ATOM 1443 NE ARG A 91 86.161 11.549 -3.835 1.00 0.00 N ATOM 1444 CZ ARG A 91 86.729 12.411 -2.998 1.00 0.00 C ATOM 1445 NH1 ARG A 91 87.150 12.005 -1.831 1.00 0.00 N ATOM 1446 NH2 ARG A 91 86.866 13.662 -3.343 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.266 10.145 -6.589 1.00 0.00 H new ATOM 0 HA ARG A 91 83.425 7.573 -5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.343 10.451 -4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.546 9.063 -3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.563 8.376 -4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.394 9.874 -5.534 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.463 10.071 -2.522 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.968 9.681 -3.331 1.00 0.00 H new ATOM 0 HE ARG A 91 85.837 11.874 -4.746 1.00 0.00 H new ATOM 0 HH11 ARG A 91 87.043 11.027 -1.562 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.586 12.666 -1.188 1.00 0.00 H new ATOM 0 HH21 ARG A 91 86.537 13.978 -4.255 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.302 14.323 -2.700 1.00 0.00 H new ATOM 1460 N GLU A 92 80.745 9.496 -4.945 1.00 0.00 N ATOM 1461 CA GLU A 92 79.343 9.484 -4.549 1.00 0.00 C ATOM 1462 C GLU A 92 78.591 8.409 -5.324 1.00 0.00 C ATOM 1463 O GLU A 92 77.934 7.555 -4.734 1.00 0.00 O ATOM 1464 CB GLU A 92 78.710 10.851 -4.819 1.00 0.00 C ATOM 1465 CG GLU A 92 77.274 10.866 -4.290 1.00 0.00 C ATOM 1466 CD GLU A 92 76.635 12.225 -4.554 1.00 0.00 C ATOM 1467 OE1 GLU A 92 76.934 13.151 -3.818 1.00 0.00 O ATOM 1468 OE2 GLU A 92 75.856 12.320 -5.488 1.00 0.00 O1- ATOM 0 H GLU A 92 81.070 10.382 -5.332 1.00 0.00 H new ATOM 0 HA GLU A 92 79.282 9.266 -3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.294 11.635 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.716 11.061 -5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.692 10.081 -4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.269 10.654 -3.221 1.00 0.00 H new ATOM 1475 N ASP A 93 78.703 8.452 -6.650 1.00 0.00 N ATOM 1476 CA ASP A 93 78.038 7.463 -7.488 1.00 0.00 C ATOM 1477 C ASP A 93 78.511 6.061 -7.118 1.00 0.00 C ATOM 1478 O ASP A 93 77.704 5.163 -6.880 1.00 0.00 O ATOM 1479 CB ASP A 93 78.341 7.737 -8.963 1.00 0.00 C ATOM 1480 CG ASP A 93 77.811 9.111 -9.357 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.827 9.994 -8.515 1.00 0.00 O1- ATOM 1482 OD2 ASP A 93 77.397 9.260 -10.494 1.00 0.00 O ATOM 0 H ASP A 93 79.241 9.152 -7.160 1.00 0.00 H new ATOM 0 HA ASP A 93 76.962 7.531 -7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.416 7.689 -9.137 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.883 6.969 -9.586 1.00 0.00 H new ATOM 1487 N LEU A 94 79.830 5.887 -7.060 1.00 0.00 N ATOM 1488 CA LEU A 94 80.411 4.596 -6.705 1.00 0.00 C ATOM 1489 C LEU A 94 79.887 4.144 -5.352 1.00 0.00 C ATOM 1490 O LEU A 94 79.630 2.961 -5.128 1.00 0.00 O ATOM 1491 CB LEU A 94 81.938 4.714 -6.636 1.00 0.00 C ATOM 1492 CG LEU A 94 82.552 3.404 -6.134 1.00 0.00 C ATOM 1493 CD1 LEU A 94 82.043 2.242 -6.984 1.00 0.00 C ATOM 1494 CD2 LEU A 94 84.082 3.482 -6.229 1.00 0.00 C ATOM 0 H LEU A 94 80.512 6.620 -7.253 1.00 0.00 H new ATOM 0 HA LEU A 94 80.133 3.866 -7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.335 4.955 -7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.216 5.532 -5.971 1.00 0.00 H new ATOM 0 HG LEU A 94 82.264 3.244 -5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.481 1.310 -6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.957 2.185 -6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.328 2.400 -8.024 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.517 2.549 -5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.374 3.644 -7.266 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.443 4.309 -5.617 1.00 0.00 H new ATOM 1506 N ILE A 95 79.748 5.100 -4.446 1.00 0.00 N ATOM 1507 CA ILE A 95 79.275 4.805 -3.108 1.00 0.00 C ATOM 1508 C ILE A 95 77.769 4.588 -3.097 1.00 0.00 C ATOM 1509 O ILE A 95 77.242 3.862 -2.253 1.00 0.00 O ATOM 1510 CB ILE A 95 79.655 5.946 -2.163 1.00 0.00 C ATOM 1511 CG1 ILE A 95 81.164 5.871 -1.911 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.889 5.804 -0.840 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.679 7.207 -1.378 1.00 0.00 C ATOM 0 H ILE A 95 79.956 6.084 -4.615 1.00 0.00 H new ATOM 0 HA ILE A 95 79.749 3.884 -2.768 1.00 0.00 H new ATOM 0 HB ILE A 95 79.397 6.908 -2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.381 5.078 -1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.682 5.617 -2.836 1.00 0.00 H new ATOM 0 HG21 ILE A 95 79.164 6.620 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.817 5.840 -1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 95 79.141 4.852 -0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.753 7.139 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.479 7.991 -2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.173 7.445 -0.442 1.00 0.00 H new ATOM 1525 N ALA A 96 77.081 5.211 -4.043 1.00 0.00 N ATOM 1526 CA ALA A 96 75.639 5.063 -4.134 1.00 0.00 C ATOM 1527 C ALA A 96 75.299 3.633 -4.530 1.00 0.00 C ATOM 1528 O ALA A 96 74.314 3.060 -4.059 1.00 0.00 O ATOM 1529 CB ALA A 96 75.079 6.040 -5.164 1.00 0.00 C ATOM 0 H ALA A 96 77.494 5.818 -4.751 1.00 0.00 H new ATOM 0 HA ALA A 96 75.192 5.282 -3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.997 5.923 -5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.317 7.061 -4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.523 5.835 -6.138 1.00 0.00 H new ATOM 1535 N TYR A 97 76.140 3.053 -5.382 1.00 0.00 N ATOM 1536 CA TYR A 97 75.934 1.680 -5.813 1.00 0.00 C ATOM 1537 C TYR A 97 76.307 0.738 -4.678 1.00 0.00 C ATOM 1538 O TYR A 97 75.689 -0.309 -4.498 1.00 0.00 O ATOM 1539 CB TYR A 97 76.787 1.370 -7.048 1.00 0.00 C ATOM 1540 CG TYR A 97 76.864 -0.128 -7.244 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.810 -0.808 -7.865 1.00 0.00 C ATOM 1542 CD2 TYR A 97 77.986 -0.836 -6.797 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.878 -2.196 -8.039 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.054 -2.223 -6.972 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.001 -2.903 -7.593 1.00 0.00 C ATOM 1546 OH TYR A 97 77.067 -4.270 -7.764 1.00 0.00 O ATOM 0 H TYR A 97 76.960 3.509 -5.782 1.00 0.00 H new ATOM 0 HA TYR A 97 74.885 1.543 -6.076 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.354 1.841 -7.930 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.788 1.783 -6.925 1.00 0.00 H new ATOM 0 HD1 TYR A 97 74.944 -0.262 -8.210 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.799 -0.312 -6.317 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.064 -2.721 -8.517 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.920 -2.769 -6.627 1.00 0.00 H new ATOM 0 HH TYR A 97 77.998 -4.536 -7.915 1.00 0.00 H new ATOM 1556 N LEU A 98 77.321 1.129 -3.910 1.00 0.00 N ATOM 1557 CA LEU A 98 77.767 0.323 -2.785 1.00 0.00 C ATOM 1558 C LEU A 98 76.622 0.138 -1.793 1.00 0.00 C ATOM 1559 O LEU A 98 76.369 -0.967 -1.320 1.00 0.00 O ATOM 1560 CB LEU A 98 78.933 1.013 -2.074 1.00 0.00 C ATOM 1561 CG LEU A 98 80.245 0.748 -2.824 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.314 1.746 -2.363 1.00 0.00 C ATOM 1563 CD2 LEU A 98 80.730 -0.678 -2.535 1.00 0.00 C ATOM 0 H LEU A 98 77.844 1.994 -4.048 1.00 0.00 H new ATOM 0 HA LEU A 98 78.091 -0.648 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 98 78.749 2.086 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.011 0.648 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 98 80.072 0.864 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.245 1.555 -2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 98 80.978 2.762 -2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.481 1.632 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.662 -0.861 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 98 80.897 -0.795 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 98 79.976 -1.393 -2.865 1.00 0.00 H new ATOM 1575 N LYS A 99 75.941 1.237 -1.477 1.00 0.00 N ATOM 1576 CA LYS A 99 74.831 1.197 -0.533 1.00 0.00 C ATOM 1577 C LYS A 99 73.744 0.234 -1.006 1.00 0.00 C ATOM 1578 O LYS A 99 73.343 -0.671 -0.275 1.00 0.00 O ATOM 1579 CB LYS A 99 74.230 2.599 -0.366 1.00 0.00 C ATOM 1580 CG LYS A 99 75.109 3.439 0.573 1.00 0.00 C ATOM 1581 CD LYS A 99 74.338 4.682 1.040 1.00 0.00 C ATOM 1582 CE LYS A 99 74.419 5.777 -0.026 1.00 0.00 C ATOM 1583 NZ LYS A 99 75.741 6.458 0.062 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.138 2.162 -1.860 1.00 0.00 H new ATOM 0 HA LYS A 99 75.217 0.847 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.151 3.088 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.220 2.525 0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.410 2.842 1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.022 3.739 0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.296 4.424 1.230 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.753 5.046 1.980 1.00 0.00 H new ATOM 0 HE2 LYS A 99 74.286 5.345 -1.018 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.615 6.499 0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 75.622 7.392 0.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 76.390 5.884 0.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 76.136 6.574 -0.893 1.00 0.00 H new ATOM 1597 N LYS A 100 73.264 0.443 -2.227 1.00 0.00 N ATOM 1598 CA LYS A 100 72.210 -0.406 -2.777 1.00 0.00 C ATOM 1599 C LYS A 100 72.733 -1.807 -3.085 1.00 0.00 C ATOM 1600 O LYS A 100 71.966 -2.768 -3.124 1.00 0.00 O ATOM 1601 CB LYS A 100 71.653 0.221 -4.055 1.00 0.00 C ATOM 1602 CG LYS A 100 71.088 1.609 -3.739 1.00 0.00 C ATOM 1603 CD LYS A 100 70.336 2.144 -4.959 1.00 0.00 C ATOM 1604 CE LYS A 100 69.926 3.595 -4.709 1.00 0.00 C ATOM 1605 NZ LYS A 100 68.949 4.024 -5.750 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.583 1.185 -2.850 1.00 0.00 H new ATOM 0 HA LYS A 100 71.420 -0.489 -2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.438 0.299 -4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 100 70.873 -0.414 -4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.418 1.554 -2.881 1.00 0.00 H new ATOM 0 HG3 LYS A 100 71.896 2.289 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 100 70.967 2.081 -5.845 1.00 0.00 H new ATOM 0 HD3 LYS A 100 69.454 1.534 -5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 100 69.483 3.693 -3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 100 70.804 4.241 -4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 68.671 5.011 -5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 69.387 3.945 -6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 68.107 3.415 -5.708 1.00 0.00 H new ATOM 1619 N ALA A 101 74.037 -1.917 -3.314 1.00 0.00 N ATOM 1620 CA ALA A 101 74.644 -3.208 -3.631 1.00 0.00 C ATOM 1621 C ALA A 101 75.011 -3.973 -2.363 1.00 0.00 C ATOM 1622 O ALA A 101 75.134 -5.198 -2.384 1.00 0.00 O ATOM 1623 CB ALA A 101 75.901 -2.998 -4.473 1.00 0.00 C ATOM 0 H ALA A 101 74.691 -1.135 -3.287 1.00 0.00 H new ATOM 0 HA ALA A 101 73.914 -3.793 -4.190 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.349 -3.964 -4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.637 -2.488 -5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.615 -2.392 -3.916 1.00 0.00 H new ATOM 1629 N THR A 102 75.189 -3.249 -1.265 1.00 0.00 N ATOM 1630 CA THR A 102 75.548 -3.877 0.004 1.00 0.00 C ATOM 1631 C THR A 102 74.309 -4.075 0.864 1.00 0.00 C ATOM 1632 O THR A 102 74.395 -4.527 2.006 1.00 0.00 O ATOM 1633 CB THR A 102 76.556 -3.005 0.754 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.039 -1.689 0.883 1.00 0.00 O ATOM 1635 CG2 THR A 102 77.872 -2.966 -0.023 1.00 0.00 C ATOM 0 H THR A 102 75.092 -2.234 -1.225 1.00 0.00 H new ATOM 0 HA THR A 102 75.996 -4.848 -0.205 1.00 0.00 H new ATOM 0 HB THR A 102 76.733 -3.422 1.745 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.175 -1.200 0.045 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.591 -2.345 0.511 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.267 -3.977 -0.120 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.697 -2.548 -1.014 1.00 0.00 H new ATOM 1643 N ASN A 103 73.158 -3.728 0.302 1.00 0.00 N ATOM 1644 CA ASN A 103 71.893 -3.863 1.013 1.00 0.00 C ATOM 1645 C ASN A 103 71.119 -5.069 0.494 1.00 0.00 C ATOM 1646 O ASN A 103 70.265 -5.619 1.188 1.00 0.00 O ATOM 1647 CB ASN A 103 71.061 -2.595 0.822 1.00 0.00 C ATOM 1648 CG ASN A 103 71.582 -1.488 1.729 1.00 0.00 C ATOM 1649 OD1 ASN A 103 70.833 -0.588 2.109 1.00 0.00 O ATOM 1650 ND2 ASN A 103 72.831 -1.499 2.101 1.00 0.00 N ATOM 0 H ASN A 103 73.074 -3.352 -0.642 1.00 0.00 H new ATOM 0 HA ASN A 103 72.098 -4.009 2.074 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.105 -2.275 -0.219 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.015 -2.799 1.048 1.00 0.00 H new ATOM 0 HD21 ASN A 103 73.189 -0.761 2.708 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.451 -2.245 1.785 1.00 0.00 H new ATOM 1657 N GLU A 104 71.428 -5.475 -0.734 1.00 0.00 N ATOM 1658 CA GLU A 104 70.757 -6.619 -1.345 1.00 0.00 C ATOM 1659 C GLU A 104 71.725 -7.404 -2.225 1.00 0.00 C ATOM 1660 O GLU A 104 71.416 -8.539 -2.546 1.00 0.00 O ATOM 1661 CB GLU A 104 69.570 -6.137 -2.186 1.00 0.00 C ATOM 1662 CG GLU A 104 70.081 -5.427 -3.446 1.00 0.00 C ATOM 1663 CD GLU A 104 70.344 -6.444 -4.551 1.00 0.00 C ATOM 1664 OE1 GLU A 104 69.442 -7.209 -4.852 1.00 0.00 O ATOM 1665 OE2 GLU A 104 71.444 -6.442 -5.081 1.00 0.00 O1- ATOM 1666 OXT GLU A 104 72.761 -6.857 -2.567 1.00 0.00 O ATOM 0 H GLU A 104 72.134 -5.033 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 104 70.398 -7.274 -0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 104 68.942 -6.983 -2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 104 68.950 -5.458 -1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 104 69.348 -4.694 -3.783 1.00 0.00 H new ATOM 0 HG3 GLU A 104 70.996 -4.880 -3.219 1.00 0.00 H new