USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=25 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 -74:sc= 0.626 USER MOD Set 1.2: A 103 ASN : amide:sc= -6.27! C(o=-5.6!,f=-1.9!) USER MOD Set 2.1: A 52 ASN : amide:sc= -0.965 K(o=-0.97,f=-4.4!) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 31 ASN : amide:sc= -5.91! C(o=-12!,f=-9.5!) USER MOD Set 3.2: A 33 HIS : no HD1:sc= -5.9! C(o=-12!,f=-19!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 174:sc= -1.3 (180deg=-1.4) USER MOD Single : A 12 GLN : amide:sc= -1.97! C(o=-2!,f=-4.3!) USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= -2.14! (180deg=-2.6!) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0338 USER MOD Single : A 16 GLN : amide:sc= 0.981 K(o=0.98,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.345 USER MOD Single : A 18 HIS : no HD1:sc= -4.4! C(o=-4.4!,f=-6.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0143) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= 0.26 K(o=0.26,f=-3.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 94:sc= -0.773 USER MOD Single : A 42 GLN : amide:sc= -3.77! K(o=-3.8!,f=0.33) USER MOD Single : A 47 THR OG1 : rot 30:sc= 0.374 USER MOD Single : A 48 TYR OH : rot 0:sc= -0.665 USER MOD Single : A 49 THR OG1 : rot 130:sc= -0.254 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -10.1! C(o=-10!,f=-4.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -18:sc= -3.18! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 46:sc= 0.159 USER MOD Single : A 70 ASN : amide:sc= -6.98! K(o=-7!,f=-1.7) USER MOD Single : A 72 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00279) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 116:sc= 0.189 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 148:sc= 0 (180deg=-0.141) USER MOD Single : A 86 LYS NZ :NH3+ -119:sc= -1.16 (180deg=-3.2!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 140:sc= 0.21 USER MOD Single : A 99 LYS NZ :NH3+ -163:sc= 0.192! (180deg=0.102!) USER MOD Single : A 100 LYS NZ :NH3+ -159:sc= -0.104 (180deg=-0.702) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.382 8.402 -8.750 1.00 0.00 N ATOM 11 CA ASP A 2 74.025 7.652 -9.952 1.00 0.00 C ATOM 12 C ASP A 2 74.446 6.195 -9.823 1.00 0.00 C ATOM 13 O ASP A 2 75.500 5.797 -10.317 1.00 0.00 O ATOM 14 CB ASP A 2 74.702 8.269 -11.174 1.00 0.00 C ATOM 15 CG ASP A 2 74.073 9.621 -11.492 1.00 0.00 C ATOM 16 OD1 ASP A 2 72.890 9.777 -11.236 1.00 0.00 O ATOM 17 OD2 ASP A 2 74.783 10.481 -11.988 1.00 0.00 O1- ATOM 0 HA ASP A 2 72.943 7.697 -10.072 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.769 8.390 -10.986 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.603 7.602 -12.030 1.00 0.00 H new ATOM 22 N VAL A 3 73.611 5.404 -9.162 1.00 0.00 N ATOM 23 CA VAL A 3 73.900 3.990 -8.979 1.00 0.00 C ATOM 24 C VAL A 3 74.269 3.348 -10.312 1.00 0.00 C ATOM 25 O VAL A 3 74.852 2.266 -10.350 1.00 0.00 O ATOM 26 CB VAL A 3 72.676 3.283 -8.389 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.445 3.598 -9.241 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.916 1.771 -8.376 1.00 0.00 C ATOM 0 H VAL A 3 72.733 5.716 -8.746 1.00 0.00 H new ATOM 0 HA VAL A 3 74.742 3.890 -8.294 1.00 0.00 H new ATOM 0 HB VAL A 3 72.511 3.632 -7.370 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.574 3.095 -8.821 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.274 4.674 -9.249 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.609 3.249 -10.261 1.00 0.00 H new ATOM 0 HG21 VAL A 3 72.045 1.268 -7.956 1.00 0.00 H new ATOM 0 HG22 VAL A 3 73.082 1.420 -9.395 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.792 1.547 -7.768 1.00 0.00 H new ATOM 38 N GLU A 4 73.922 4.023 -11.404 1.00 0.00 N ATOM 39 CA GLU A 4 74.220 3.504 -12.733 1.00 0.00 C ATOM 40 C GLU A 4 75.706 3.639 -13.041 1.00 0.00 C ATOM 41 O GLU A 4 76.388 2.647 -13.308 1.00 0.00 O ATOM 42 CB GLU A 4 73.407 4.262 -13.785 1.00 0.00 C ATOM 43 CG GLU A 4 71.935 3.859 -13.682 1.00 0.00 C ATOM 44 CD GLU A 4 71.082 4.777 -14.550 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.643 5.443 -15.405 1.00 0.00 O ATOM 46 OE2 GLU A 4 69.879 4.803 -14.347 1.00 0.00 O1- ATOM 0 H GLU A 4 73.439 4.921 -11.395 1.00 0.00 H new ATOM 0 HA GLU A 4 73.951 2.448 -12.758 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.512 5.337 -13.636 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.787 4.040 -14.782 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.810 2.824 -14.000 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.605 3.916 -12.645 1.00 0.00 H new ATOM 53 N LYS A 5 76.209 4.867 -12.996 1.00 0.00 N ATOM 54 CA LYS A 5 77.620 5.105 -13.265 1.00 0.00 C ATOM 55 C LYS A 5 78.455 4.597 -12.101 1.00 0.00 C ATOM 56 O LYS A 5 79.645 4.322 -12.248 1.00 0.00 O ATOM 57 CB LYS A 5 77.877 6.605 -13.481 1.00 0.00 C ATOM 58 CG LYS A 5 77.548 7.002 -14.929 1.00 0.00 C ATOM 59 CD LYS A 5 76.039 7.243 -15.083 1.00 0.00 C ATOM 60 CE LYS A 5 75.694 8.677 -14.665 1.00 0.00 C ATOM 61 NZ LYS A 5 74.256 8.943 -14.953 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.668 5.704 -12.778 1.00 0.00 H new ATOM 0 HA LYS A 5 77.903 4.570 -14.172 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.268 7.188 -12.790 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.919 6.837 -13.261 1.00 0.00 H new ATOM 0 HG2 LYS A 5 78.097 7.904 -15.200 1.00 0.00 H new ATOM 0 HG3 LYS A 5 77.870 6.215 -15.612 1.00 0.00 H new ATOM 0 HD2 LYS A 5 75.739 7.074 -16.117 1.00 0.00 H new ATOM 0 HD3 LYS A 5 75.484 6.533 -14.470 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.896 8.817 -13.603 1.00 0.00 H new ATOM 0 HE3 LYS A 5 76.322 9.386 -15.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 74.019 9.915 -14.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 74.078 8.825 -15.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 73.665 8.274 -14.419 1.00 0.00 H new ATOM 75 N GLY A 6 77.815 4.448 -10.947 1.00 0.00 N ATOM 76 CA GLY A 6 78.505 3.940 -9.774 1.00 0.00 C ATOM 77 C GLY A 6 78.759 2.454 -9.956 1.00 0.00 C ATOM 78 O GLY A 6 79.764 1.913 -9.494 1.00 0.00 O ATOM 0 H GLY A 6 76.830 4.670 -10.802 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.448 4.469 -9.633 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.906 4.113 -8.880 1.00 0.00 H new ATOM 82 N LYS A 7 77.836 1.808 -10.659 1.00 0.00 N ATOM 83 CA LYS A 7 77.952 0.388 -10.936 1.00 0.00 C ATOM 84 C LYS A 7 79.092 0.145 -11.917 1.00 0.00 C ATOM 85 O LYS A 7 79.882 -0.781 -11.743 1.00 0.00 O ATOM 86 CB LYS A 7 76.639 -0.134 -11.528 1.00 0.00 C ATOM 87 CG LYS A 7 76.665 -1.665 -11.576 1.00 0.00 C ATOM 88 CD LYS A 7 75.634 -2.169 -12.595 1.00 0.00 C ATOM 89 CE LYS A 7 76.229 -2.124 -14.009 1.00 0.00 C ATOM 90 NZ LYS A 7 75.170 -1.728 -14.979 1.00 0.00 N1+ ATOM 0 H LYS A 7 77.001 2.248 -11.046 1.00 0.00 H new ATOM 0 HA LYS A 7 78.161 -0.141 -10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.797 0.206 -10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.496 0.268 -12.531 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.661 -2.013 -11.850 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.445 -2.073 -10.590 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.336 -3.188 -12.349 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.735 -1.554 -12.550 1.00 0.00 H new ATOM 0 HE2 LYS A 7 77.055 -1.414 -14.045 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.635 -3.100 -14.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.572 -1.697 -15.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.396 -2.422 -14.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 74.802 -0.788 -14.727 1.00 0.00 H new ATOM 104 N LYS A 8 79.177 0.987 -12.945 1.00 0.00 N ATOM 105 CA LYS A 8 80.234 0.848 -13.940 1.00 0.00 C ATOM 106 C LYS A 8 81.606 0.974 -13.281 1.00 0.00 C ATOM 107 O LYS A 8 82.510 0.174 -13.534 1.00 0.00 O ATOM 108 CB LYS A 8 80.080 1.924 -15.021 1.00 0.00 C ATOM 109 CG LYS A 8 81.276 1.872 -15.987 1.00 0.00 C ATOM 110 CD LYS A 8 82.246 3.020 -15.674 1.00 0.00 C ATOM 111 CE LYS A 8 81.624 4.362 -16.088 1.00 0.00 C ATOM 112 NZ LYS A 8 81.553 5.261 -14.901 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.535 1.763 -13.109 1.00 0.00 H new ATOM 0 HA LYS A 8 80.152 -0.138 -14.398 1.00 0.00 H new ATOM 0 HB2 LYS A 8 79.151 1.770 -15.570 1.00 0.00 H new ATOM 0 HB3 LYS A 8 80.017 2.909 -14.559 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.789 0.915 -15.894 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.927 1.949 -17.017 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.478 3.031 -14.609 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.186 2.867 -16.204 1.00 0.00 H new ATOM 0 HE2 LYS A 8 82.221 4.825 -16.874 1.00 0.00 H new ATOM 0 HE3 LYS A 8 80.627 4.202 -16.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 81.228 6.203 -15.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 80.886 4.867 -14.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 82.496 5.341 -14.469 1.00 0.00 H new ATOM 126 N ILE A 9 81.751 1.986 -12.432 1.00 0.00 N ATOM 127 CA ILE A 9 83.012 2.217 -11.740 1.00 0.00 C ATOM 128 C ILE A 9 83.304 1.096 -10.750 1.00 0.00 C ATOM 129 O ILE A 9 84.453 0.874 -10.375 1.00 0.00 O ATOM 130 CB ILE A 9 82.953 3.547 -10.989 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.692 4.686 -11.979 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.283 3.786 -10.276 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.205 5.922 -11.218 1.00 0.00 C ATOM 0 H ILE A 9 81.015 2.656 -12.208 1.00 0.00 H new ATOM 0 HA ILE A 9 83.808 2.244 -12.484 1.00 0.00 H new ATOM 0 HB ILE A 9 82.147 3.514 -10.256 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.603 4.920 -12.529 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.946 4.380 -12.713 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.243 4.734 -9.740 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.468 2.977 -9.569 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.089 3.818 -11.010 1.00 0.00 H new ATOM 0 HD11 ILE A 9 82.019 6.733 -11.922 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.283 5.683 -10.688 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.966 6.231 -10.501 1.00 0.00 H new ATOM 145 N PHE A 10 82.260 0.403 -10.315 1.00 0.00 N ATOM 146 CA PHE A 10 82.428 -0.678 -9.349 1.00 0.00 C ATOM 147 C PHE A 10 82.868 -1.978 -10.029 1.00 0.00 C ATOM 148 O PHE A 10 83.850 -2.593 -9.619 1.00 0.00 O ATOM 149 CB PHE A 10 81.110 -0.912 -8.597 1.00 0.00 C ATOM 150 CG PHE A 10 81.057 -2.333 -8.086 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.567 -3.352 -8.910 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.511 -2.634 -6.797 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.533 -4.672 -8.449 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.474 -3.955 -6.333 1.00 0.00 C ATOM 155 CZ PHE A 10 80.986 -4.974 -7.162 1.00 0.00 C ATOM 0 H PHE A 10 81.298 0.566 -10.611 1.00 0.00 H new ATOM 0 HA PHE A 10 83.209 -0.382 -8.648 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.027 -0.213 -7.765 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.265 -0.722 -9.258 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.214 -3.119 -9.904 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.890 -1.848 -6.160 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.157 -5.458 -9.087 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.821 -4.188 -5.337 1.00 0.00 H new ATOM 0 HZ PHE A 10 80.960 -5.993 -6.806 1.00 0.00 H new ATOM 165 N VAL A 11 82.130 -2.395 -11.053 1.00 0.00 N ATOM 166 CA VAL A 11 82.447 -3.637 -11.759 1.00 0.00 C ATOM 167 C VAL A 11 83.879 -3.637 -12.267 1.00 0.00 C ATOM 168 O VAL A 11 84.507 -4.688 -12.380 1.00 0.00 O ATOM 169 CB VAL A 11 81.505 -3.830 -12.948 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.073 -3.985 -12.448 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.594 -2.613 -13.866 1.00 0.00 C ATOM 0 H VAL A 11 81.315 -1.898 -11.412 1.00 0.00 H new ATOM 0 HA VAL A 11 82.323 -4.454 -11.048 1.00 0.00 H new ATOM 0 HB VAL A 11 81.794 -4.726 -13.498 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.404 -4.122 -13.297 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.009 -4.853 -11.791 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.781 -3.091 -11.897 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.923 -2.748 -14.715 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.305 -1.719 -13.314 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.617 -2.503 -14.226 1.00 0.00 H new ATOM 181 N GLN A 12 84.381 -2.460 -12.604 1.00 0.00 N ATOM 182 CA GLN A 12 85.735 -2.358 -13.135 1.00 0.00 C ATOM 183 C GLN A 12 86.760 -2.001 -12.059 1.00 0.00 C ATOM 184 O GLN A 12 87.947 -2.286 -12.219 1.00 0.00 O ATOM 185 CB GLN A 12 85.772 -1.300 -14.236 1.00 0.00 C ATOM 186 CG GLN A 12 85.569 0.088 -13.627 1.00 0.00 C ATOM 187 CD GLN A 12 85.316 1.094 -14.741 1.00 0.00 C ATOM 188 OE1 GLN A 12 84.980 2.248 -14.477 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.461 0.719 -15.982 1.00 0.00 N ATOM 0 H GLN A 12 83.883 -1.574 -12.522 1.00 0.00 H new ATOM 0 HA GLN A 12 86.002 -3.337 -13.532 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.727 -1.341 -14.761 1.00 0.00 H new ATOM 0 HB3 GLN A 12 84.994 -1.501 -14.973 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.727 0.075 -12.935 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.449 0.378 -13.052 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.740 -0.239 -16.196 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.296 1.383 -16.738 1.00 0.00 H new ATOM 198 N LYS A 13 86.321 -1.345 -10.986 1.00 0.00 N ATOM 199 CA LYS A 13 87.257 -0.931 -9.936 1.00 0.00 C ATOM 200 C LYS A 13 87.247 -1.833 -8.695 1.00 0.00 C ATOM 201 O LYS A 13 88.267 -2.431 -8.359 1.00 0.00 O ATOM 202 CB LYS A 13 86.961 0.515 -9.523 1.00 0.00 C ATOM 203 CG LYS A 13 88.210 1.143 -8.892 1.00 0.00 C ATOM 204 CD LYS A 13 88.009 2.657 -8.739 1.00 0.00 C ATOM 205 CE LYS A 13 88.481 3.374 -10.009 1.00 0.00 C ATOM 206 NZ LYS A 13 87.921 4.755 -10.036 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.347 -1.092 -10.820 1.00 0.00 H new ATOM 0 HA LYS A 13 88.254 -1.018 -10.367 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.651 1.095 -10.393 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.134 0.538 -8.814 1.00 0.00 H new ATOM 0 HG2 LYS A 13 88.403 0.692 -7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 13 89.083 0.944 -9.514 1.00 0.00 H new ATOM 0 HD2 LYS A 13 86.957 2.877 -8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.566 3.022 -7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.570 3.411 -10.035 1.00 0.00 H new ATOM 0 HE3 LYS A 13 88.159 2.822 -10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 87.990 5.139 -11.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 86.923 4.731 -9.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 88.458 5.360 -9.383 1.00 0.00 H new ATOM 220 N CYS A 14 86.122 -1.884 -7.978 1.00 0.00 N ATOM 221 CA CYS A 14 86.055 -2.668 -6.734 1.00 0.00 C ATOM 222 C CYS A 14 85.778 -4.157 -6.956 1.00 0.00 C ATOM 223 O CYS A 14 86.322 -4.998 -6.240 1.00 0.00 O ATOM 224 CB CYS A 14 84.988 -2.084 -5.803 1.00 0.00 C ATOM 225 SG CYS A 14 84.941 -0.274 -5.961 1.00 0.00 S ATOM 0 H CYS A 14 85.258 -1.403 -8.228 1.00 0.00 H new ATOM 0 HA CYS A 14 87.043 -2.598 -6.280 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.012 -2.503 -6.048 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.204 -2.361 -4.771 1.00 0.00 H new ATOM 0 HG CYS A 14 84.030 0.207 -5.168 1.00 0.00 H new ATOM 230 N ALA A 15 84.932 -4.489 -7.915 1.00 0.00 N ATOM 231 CA ALA A 15 84.610 -5.893 -8.162 1.00 0.00 C ATOM 232 C ALA A 15 85.882 -6.735 -8.233 1.00 0.00 C ATOM 233 O ALA A 15 85.861 -7.933 -7.950 1.00 0.00 O ATOM 234 CB ALA A 15 83.830 -6.029 -9.468 1.00 0.00 C ATOM 0 H ALA A 15 84.461 -3.824 -8.528 1.00 0.00 H new ATOM 0 HA ALA A 15 83.998 -6.254 -7.336 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.595 -7.079 -9.644 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.905 -5.456 -9.401 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.433 -5.649 -10.293 1.00 0.00 H new ATOM 240 N GLN A 16 86.984 -6.103 -8.617 1.00 0.00 N ATOM 241 CA GLN A 16 88.262 -6.802 -8.731 1.00 0.00 C ATOM 242 C GLN A 16 88.538 -7.677 -7.505 1.00 0.00 C ATOM 243 O GLN A 16 88.690 -8.892 -7.630 1.00 0.00 O ATOM 244 CB GLN A 16 89.396 -5.783 -8.911 1.00 0.00 C ATOM 245 CG GLN A 16 89.735 -5.637 -10.398 1.00 0.00 C ATOM 246 CD GLN A 16 90.867 -4.632 -10.579 1.00 0.00 C ATOM 247 OE1 GLN A 16 91.941 -4.986 -11.064 1.00 0.00 O ATOM 248 NE2 GLN A 16 90.689 -3.392 -10.216 1.00 0.00 N ATOM 0 H GLN A 16 87.021 -5.112 -8.854 1.00 0.00 H new ATOM 0 HA GLN A 16 88.211 -7.455 -9.602 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.098 -4.818 -8.501 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.278 -6.106 -8.358 1.00 0.00 H new ATOM 0 HG2 GLN A 16 90.026 -6.603 -10.809 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.854 -5.308 -10.950 1.00 0.00 H new ATOM 0 HE21 GLN A 16 89.798 -3.101 -9.814 1.00 0.00 H new ATOM 0 HE22 GLN A 16 91.441 -2.713 -10.334 1.00 0.00 H new ATOM 257 N CYS A 17 88.619 -7.058 -6.325 1.00 0.00 N ATOM 258 CA CYS A 17 88.901 -7.808 -5.097 1.00 0.00 C ATOM 259 C CYS A 17 87.806 -7.600 -4.046 1.00 0.00 C ATOM 260 O CYS A 17 88.099 -7.276 -2.896 1.00 0.00 O ATOM 261 CB CYS A 17 90.259 -7.375 -4.514 1.00 0.00 C ATOM 262 SG CYS A 17 91.265 -6.591 -5.802 1.00 0.00 S ATOM 0 H CYS A 17 88.496 -6.054 -6.193 1.00 0.00 H new ATOM 0 HA CYS A 17 88.930 -8.866 -5.356 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.105 -6.680 -3.688 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.783 -8.241 -4.109 1.00 0.00 H new ATOM 0 HG CYS A 17 92.407 -6.227 -5.299 1.00 0.00 H new ATOM 267 N HIS A 18 86.549 -7.796 -4.435 1.00 0.00 N ATOM 268 CA HIS A 18 85.445 -7.629 -3.488 1.00 0.00 C ATOM 269 C HIS A 18 84.201 -8.387 -3.947 1.00 0.00 C ATOM 270 O HIS A 18 84.211 -9.053 -4.982 1.00 0.00 O ATOM 271 CB HIS A 18 85.109 -6.145 -3.328 1.00 0.00 C ATOM 272 CG HIS A 18 86.128 -5.485 -2.436 1.00 0.00 C ATOM 273 ND1 HIS A 18 86.709 -6.135 -1.354 1.00 0.00 N ATOM 274 CD2 HIS A 18 86.676 -4.228 -2.455 1.00 0.00 C ATOM 275 CE1 HIS A 18 87.565 -5.271 -0.774 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.579 -4.098 -1.407 1.00 0.00 N ATOM 0 H HIS A 18 86.270 -8.065 -5.379 1.00 0.00 H new ATOM 0 HA HIS A 18 85.764 -8.038 -2.529 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.096 -5.658 -4.303 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.112 -6.032 -2.902 1.00 0.00 H new ATOM 0 HD2 HIS A 18 86.442 -3.457 -3.174 1.00 0.00 H new ATOM 0 HE1 HIS A 18 88.164 -5.500 0.095 1.00 0.00 H new ATOM 0 HE2 HIS A 18 88.136 -3.277 -1.171 1.00 0.00 H new ATOM 284 N THR A 19 83.134 -8.283 -3.156 1.00 0.00 N ATOM 285 CA THR A 19 81.880 -8.965 -3.468 1.00 0.00 C ATOM 286 C THR A 19 80.693 -8.021 -3.266 1.00 0.00 C ATOM 287 O THR A 19 79.731 -8.043 -4.035 1.00 0.00 O ATOM 288 CB THR A 19 81.730 -10.195 -2.560 1.00 0.00 C ATOM 289 OG1 THR A 19 82.866 -10.289 -1.714 1.00 0.00 O ATOM 290 CG2 THR A 19 81.624 -11.463 -3.408 1.00 0.00 C ATOM 0 H THR A 19 83.113 -7.734 -2.296 1.00 0.00 H new ATOM 0 HA THR A 19 81.897 -9.280 -4.511 1.00 0.00 H new ATOM 0 HB THR A 19 80.826 -10.092 -1.960 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.776 -11.071 -1.131 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.518 -12.329 -2.755 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.754 -11.392 -4.061 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.524 -11.572 -4.013 1.00 0.00 H new ATOM 298 N VAL A 20 80.772 -7.197 -2.225 1.00 0.00 N ATOM 299 CA VAL A 20 79.708 -6.244 -1.917 1.00 0.00 C ATOM 300 C VAL A 20 78.328 -6.871 -2.099 1.00 0.00 C ATOM 301 O VAL A 20 77.349 -6.167 -2.347 1.00 0.00 O ATOM 302 CB VAL A 20 79.835 -5.000 -2.802 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.251 -4.433 -2.694 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.552 -5.366 -4.257 1.00 0.00 C ATOM 0 H VAL A 20 81.562 -7.169 -1.580 1.00 0.00 H new ATOM 0 HA VAL A 20 79.815 -5.955 -0.871 1.00 0.00 H new ATOM 0 HB VAL A 20 79.114 -4.254 -2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.338 -3.548 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.456 -4.162 -1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.970 -5.184 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.644 -4.477 -4.880 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.268 -6.118 -4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.541 -5.765 -4.342 1.00 0.00 H new ATOM 314 N GLU A 21 78.254 -8.194 -1.973 1.00 0.00 N ATOM 315 CA GLU A 21 76.981 -8.897 -2.123 1.00 0.00 C ATOM 316 C GLU A 21 76.685 -9.734 -0.882 1.00 0.00 C ATOM 317 O GLU A 21 77.463 -10.614 -0.513 1.00 0.00 O ATOM 318 CB GLU A 21 77.015 -9.793 -3.367 1.00 0.00 C ATOM 319 CG GLU A 21 77.816 -11.066 -3.075 1.00 0.00 C ATOM 320 CD GLU A 21 78.246 -11.724 -4.383 1.00 0.00 C ATOM 321 OE1 GLU A 21 78.773 -11.023 -5.231 1.00 0.00 O1- ATOM 322 OE2 GLU A 21 78.042 -12.919 -4.517 1.00 0.00 O ATOM 0 H GLU A 21 79.052 -8.796 -1.769 1.00 0.00 H new ATOM 0 HA GLU A 21 76.189 -8.158 -2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.999 -10.053 -3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.464 -9.254 -4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.693 -10.824 -2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.212 -11.760 -2.491 1.00 0.00 H new ATOM 329 N LYS A 22 75.558 -9.449 -0.240 1.00 0.00 N ATOM 330 CA LYS A 22 75.170 -10.176 0.962 1.00 0.00 C ATOM 331 C LYS A 22 75.004 -11.663 0.660 1.00 0.00 C ATOM 332 O LYS A 22 74.412 -12.039 -0.353 1.00 0.00 O ATOM 333 CB LYS A 22 73.857 -9.612 1.512 1.00 0.00 C ATOM 334 CG LYS A 22 73.479 -10.333 2.817 1.00 0.00 C ATOM 335 CD LYS A 22 72.404 -11.388 2.537 1.00 0.00 C ATOM 336 CE LYS A 22 72.000 -12.070 3.846 1.00 0.00 C ATOM 337 NZ LYS A 22 73.044 -13.060 4.233 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.901 -8.725 -0.529 1.00 0.00 H new ATOM 0 HA LYS A 22 75.956 -10.056 1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.960 -8.542 1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 22 73.062 -9.735 0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 22 74.361 -10.806 3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 22 73.112 -9.612 3.548 1.00 0.00 H new ATOM 0 HD2 LYS A 22 71.534 -10.921 2.075 1.00 0.00 H new ATOM 0 HD3 LYS A 22 72.782 -12.128 1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 22 71.879 -11.326 4.634 1.00 0.00 H new ATOM 0 HE3 LYS A 22 71.038 -12.568 3.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 72.738 -13.572 5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 73.187 -13.736 3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 73.937 -12.564 4.429 1.00 0.00 H new ATOM 351 N GLY A 23 75.525 -12.502 1.548 1.00 0.00 N ATOM 352 CA GLY A 23 75.427 -13.946 1.373 1.00 0.00 C ATOM 353 C GLY A 23 76.378 -14.437 0.286 1.00 0.00 C ATOM 354 O GLY A 23 76.168 -15.497 -0.301 1.00 0.00 O ATOM 0 H GLY A 23 76.017 -12.209 2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.658 -14.445 2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.403 -14.215 1.112 1.00 0.00 H new ATOM 358 N GLY A 24 77.425 -13.661 0.025 1.00 0.00 N ATOM 359 CA GLY A 24 78.403 -14.031 -0.993 1.00 0.00 C ATOM 360 C GLY A 24 79.605 -14.723 -0.363 1.00 0.00 C ATOM 361 O GLY A 24 79.464 -15.504 0.579 1.00 0.00 O ATOM 0 H GLY A 24 77.618 -12.779 0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.940 -14.692 -1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.730 -13.141 -1.530 1.00 0.00 H new ATOM 365 N LYS A 25 80.789 -14.428 -0.889 1.00 0.00 N ATOM 366 CA LYS A 25 82.017 -15.021 -0.372 1.00 0.00 C ATOM 367 C LYS A 25 83.198 -14.085 -0.602 1.00 0.00 C ATOM 368 O LYS A 25 83.550 -13.778 -1.741 1.00 0.00 O ATOM 369 CB LYS A 25 82.282 -16.367 -1.057 1.00 0.00 C ATOM 370 CG LYS A 25 82.070 -16.232 -2.568 1.00 0.00 C ATOM 371 CD LYS A 25 82.230 -17.604 -3.228 1.00 0.00 C ATOM 372 CE LYS A 25 82.275 -17.441 -4.749 1.00 0.00 C ATOM 373 NZ LYS A 25 82.787 -18.696 -5.367 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.924 -13.785 -1.669 1.00 0.00 H new ATOM 0 HA LYS A 25 81.898 -15.182 0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 25 83.301 -16.695 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.614 -17.128 -0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.077 -15.831 -2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.790 -15.529 -2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 25 83.144 -18.083 -2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 25 81.401 -18.253 -2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 25 81.280 -17.215 -5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 25 82.918 -16.602 -5.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 82.818 -18.586 -6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 83.744 -18.893 -5.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 82.157 -19.486 -5.121 1.00 0.00 H new ATOM 387 N HIS A 26 83.806 -13.631 0.488 1.00 0.00 N ATOM 388 CA HIS A 26 84.946 -12.729 0.395 1.00 0.00 C ATOM 389 C HIS A 26 86.033 -13.330 -0.493 1.00 0.00 C ATOM 390 O HIS A 26 86.492 -14.448 -0.258 1.00 0.00 O ATOM 391 CB HIS A 26 85.511 -12.452 1.792 1.00 0.00 C ATOM 392 CG HIS A 26 85.380 -13.687 2.641 1.00 0.00 C ATOM 393 ND1 HIS A 26 86.031 -14.870 2.328 1.00 0.00 N ATOM 394 CD2 HIS A 26 84.680 -13.937 3.794 1.00 0.00 C ATOM 395 CE1 HIS A 26 85.712 -15.771 3.276 1.00 0.00 C ATOM 396 NE2 HIS A 26 84.890 -15.253 4.193 1.00 0.00 N ATOM 0 H HIS A 26 83.530 -13.871 1.440 1.00 0.00 H new ATOM 0 HA HIS A 26 84.610 -11.792 -0.049 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.558 -12.157 1.720 1.00 0.00 H new ATOM 0 HB3 HIS A 26 84.976 -11.622 2.254 1.00 0.00 H new ATOM 0 HD1 HIS A 26 86.641 -15.029 1.526 1.00 0.00 H new ATOM 0 HD2 HIS A 26 84.060 -13.221 4.313 1.00 0.00 H new ATOM 0 HE1 HIS A 26 86.076 -16.788 3.293 1.00 0.00 H new ATOM 405 N LYS A 27 86.437 -12.578 -1.513 1.00 0.00 N ATOM 406 CA LYS A 27 87.471 -13.036 -2.438 1.00 0.00 C ATOM 407 C LYS A 27 88.602 -12.016 -2.517 1.00 0.00 C ATOM 408 O LYS A 27 88.363 -10.826 -2.727 1.00 0.00 O ATOM 409 CB LYS A 27 86.868 -13.245 -3.831 1.00 0.00 C ATOM 410 CG LYS A 27 85.902 -12.099 -4.146 1.00 0.00 C ATOM 411 CD LYS A 27 85.584 -12.096 -5.643 1.00 0.00 C ATOM 412 CE LYS A 27 84.855 -13.389 -6.016 1.00 0.00 C ATOM 413 NZ LYS A 27 84.199 -13.224 -7.343 1.00 0.00 N1+ ATOM 0 H LYS A 27 86.066 -11.651 -1.720 1.00 0.00 H new ATOM 0 HA LYS A 27 87.873 -13.981 -2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.659 -13.284 -4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 27 86.343 -14.199 -3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 27 84.985 -12.214 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 27 86.344 -11.146 -3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 27 84.966 -11.233 -5.892 1.00 0.00 H new ATOM 0 HD3 LYS A 27 86.504 -12.006 -6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 27 85.559 -14.220 -6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 27 84.110 -13.631 -5.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 83.703 -14.102 -7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 83.515 -12.442 -7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 84.920 -13.013 -8.063 1.00 0.00 H new ATOM 427 N THR A 28 89.835 -12.485 -2.342 1.00 0.00 N ATOM 428 CA THR A 28 90.992 -11.598 -2.392 1.00 0.00 C ATOM 429 C THR A 28 90.689 -10.297 -1.653 1.00 0.00 C ATOM 430 O THR A 28 91.250 -9.245 -1.960 1.00 0.00 O ATOM 431 CB THR A 28 91.359 -11.297 -3.847 1.00 0.00 C ATOM 432 OG1 THR A 28 91.221 -12.481 -4.620 1.00 0.00 O ATOM 433 CG2 THR A 28 92.805 -10.799 -3.929 1.00 0.00 C ATOM 0 H THR A 28 90.057 -13.465 -2.166 1.00 0.00 H new ATOM 0 HA THR A 28 91.834 -12.092 -1.908 1.00 0.00 H new ATOM 0 HB THR A 28 90.694 -10.525 -4.234 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.454 -12.292 -5.553 1.00 0.00 H new ATOM 0 HG21 THR A 28 93.058 -10.587 -4.968 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.911 -9.890 -3.337 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.476 -11.565 -3.541 1.00 0.00 H new ATOM 441 N GLY A 29 89.792 -10.384 -0.679 1.00 0.00 N ATOM 442 CA GLY A 29 89.407 -9.218 0.107 1.00 0.00 C ATOM 443 C GLY A 29 88.117 -9.495 0.874 1.00 0.00 C ATOM 444 O GLY A 29 87.333 -10.361 0.489 1.00 0.00 O ATOM 0 H GLY A 29 89.318 -11.248 -0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.205 -8.962 0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.270 -8.358 -0.549 1.00 0.00 H new ATOM 448 N PRO A 30 87.884 -8.781 1.943 1.00 0.00 N ATOM 449 CA PRO A 30 86.661 -8.960 2.778 1.00 0.00 C ATOM 450 C PRO A 30 85.398 -8.489 2.059 1.00 0.00 C ATOM 451 O PRO A 30 85.455 -8.031 0.917 1.00 0.00 O ATOM 452 CB PRO A 30 86.937 -8.105 4.019 1.00 0.00 C ATOM 453 CG PRO A 30 87.924 -7.074 3.575 1.00 0.00 C ATOM 454 CD PRO A 30 88.760 -7.724 2.474 1.00 0.00 C ATOM 0 HA PRO A 30 86.477 -10.008 3.012 1.00 0.00 H new ATOM 0 HB2 PRO A 30 86.023 -7.641 4.388 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.339 -8.710 4.832 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.416 -6.184 3.203 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.555 -6.757 4.406 1.00 0.00 H new ATOM 0 HD2 PRO A 30 89.032 -7.005 1.701 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.689 -8.135 2.868 1.00 0.00 H new ATOM 462 N ASN A 31 84.263 -8.601 2.740 1.00 0.00 N ATOM 463 CA ASN A 31 82.986 -8.182 2.170 1.00 0.00 C ATOM 464 C ASN A 31 82.612 -6.802 2.701 1.00 0.00 C ATOM 465 O ASN A 31 83.156 -6.356 3.710 1.00 0.00 O ATOM 466 CB ASN A 31 81.897 -9.193 2.540 1.00 0.00 C ATOM 467 CG ASN A 31 81.542 -9.071 4.021 1.00 0.00 C ATOM 468 OD1 ASN A 31 82.154 -8.288 4.746 1.00 0.00 O ATOM 469 ND2 ASN A 31 80.585 -9.808 4.515 1.00 0.00 N ATOM 0 H ASN A 31 84.200 -8.978 3.686 1.00 0.00 H new ATOM 0 HA ASN A 31 83.076 -8.135 1.085 1.00 0.00 H new ATOM 0 HB2 ASN A 31 81.010 -9.021 1.931 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.241 -10.204 2.324 1.00 0.00 H new ATOM 0 HD21 ASN A 31 80.344 -9.735 5.503 1.00 0.00 H new ATOM 0 HD22 ASN A 31 80.078 -10.457 3.913 1.00 0.00 H new ATOM 476 N LEU A 32 81.685 -6.129 2.024 1.00 0.00 N ATOM 477 CA LEU A 32 81.253 -4.799 2.455 1.00 0.00 C ATOM 478 C LEU A 32 79.781 -4.823 2.865 1.00 0.00 C ATOM 479 O LEU A 32 79.061 -3.844 2.675 1.00 0.00 O ATOM 480 CB LEU A 32 81.435 -3.774 1.328 1.00 0.00 C ATOM 481 CG LEU A 32 82.842 -3.854 0.720 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.066 -2.626 -0.168 1.00 0.00 C ATOM 483 CD2 LEU A 32 83.907 -3.875 1.823 1.00 0.00 C ATOM 0 H LEU A 32 81.222 -6.476 1.184 1.00 0.00 H new ATOM 0 HA LEU A 32 81.869 -4.512 3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.691 -3.949 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.261 -2.770 1.716 1.00 0.00 H new ATOM 0 HG LEU A 32 82.925 -4.770 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.063 -2.671 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.320 -2.611 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 32 82.974 -1.721 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 32 84.897 -3.932 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.832 -2.965 2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.750 -4.743 2.464 1.00 0.00 H new ATOM 495 N HIS A 33 79.342 -5.943 3.429 1.00 0.00 N ATOM 496 CA HIS A 33 77.953 -6.073 3.863 1.00 0.00 C ATOM 497 C HIS A 33 77.625 -5.014 4.912 1.00 0.00 C ATOM 498 O HIS A 33 78.443 -4.724 5.784 1.00 0.00 O ATOM 499 CB HIS A 33 77.715 -7.464 4.454 1.00 0.00 C ATOM 500 CG HIS A 33 77.984 -8.513 3.409 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.105 -9.857 3.729 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.156 -8.434 2.050 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.338 -10.527 2.585 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.379 -9.707 1.532 1.00 0.00 N ATOM 0 H HIS A 33 79.920 -6.767 3.596 1.00 0.00 H new ATOM 0 HA HIS A 33 77.306 -5.932 2.997 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.365 -7.620 5.315 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.688 -7.547 4.811 1.00 0.00 H new ATOM 0 HD2 HIS A 33 78.123 -7.523 1.470 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.475 -11.597 2.526 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.539 -9.959 0.557 1.00 0.00 H new ATOM 513 N GLY A 34 76.426 -4.437 4.823 1.00 0.00 N ATOM 514 CA GLY A 34 76.009 -3.407 5.776 1.00 0.00 C ATOM 515 C GLY A 34 77.199 -2.555 6.202 1.00 0.00 C ATOM 516 O GLY A 34 77.271 -2.082 7.337 1.00 0.00 O ATOM 0 H GLY A 34 75.733 -4.662 4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.245 -2.774 5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.558 -3.875 6.651 1.00 0.00 H new ATOM 520 N LEU A 35 78.135 -2.377 5.278 1.00 0.00 N ATOM 521 CA LEU A 35 79.337 -1.598 5.542 1.00 0.00 C ATOM 522 C LEU A 35 79.000 -0.278 6.236 1.00 0.00 C ATOM 523 O LEU A 35 79.496 0.013 7.322 1.00 0.00 O ATOM 524 CB LEU A 35 80.045 -1.313 4.210 1.00 0.00 C ATOM 525 CG LEU A 35 81.255 -0.385 4.424 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.515 -1.223 4.651 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.457 0.497 3.184 1.00 0.00 C ATOM 0 H LEU A 35 78.084 -2.764 4.336 1.00 0.00 H new ATOM 0 HA LEU A 35 79.987 -2.170 6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.374 -2.250 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.346 -0.852 3.512 1.00 0.00 H new ATOM 0 HG LEU A 35 81.070 0.243 5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.369 -0.563 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.381 -1.850 5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.694 -1.854 3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.314 1.152 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.636 -0.134 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.565 1.100 3.017 1.00 0.00 H new ATOM 539 N PHE A 36 78.166 0.519 5.593 1.00 0.00 N ATOM 540 CA PHE A 36 77.786 1.816 6.140 1.00 0.00 C ATOM 541 C PHE A 36 77.241 1.689 7.563 1.00 0.00 C ATOM 542 O PHE A 36 76.039 1.503 7.758 1.00 0.00 O ATOM 543 CB PHE A 36 76.731 2.470 5.241 1.00 0.00 C ATOM 544 CG PHE A 36 77.201 2.445 3.803 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.049 1.282 3.035 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.796 3.581 3.237 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.490 1.256 1.707 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.237 3.553 1.910 1.00 0.00 C ATOM 549 CZ PHE A 36 78.086 2.390 1.145 1.00 0.00 C ATOM 0 H PHE A 36 77.738 0.295 4.694 1.00 0.00 H new ATOM 0 HA PHE A 36 78.680 2.438 6.175 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.782 1.941 5.333 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.555 3.498 5.559 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.591 0.405 3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 36 77.914 4.479 3.826 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.370 0.360 1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.694 4.429 1.475 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.430 2.368 0.121 1.00 0.00 H new ATOM 559 N GLY A 37 78.124 1.815 8.559 1.00 0.00 N ATOM 560 CA GLY A 37 77.694 1.737 9.956 1.00 0.00 C ATOM 561 C GLY A 37 78.674 0.960 10.840 1.00 0.00 C ATOM 562 O GLY A 37 78.729 1.184 12.048 1.00 0.00 O ATOM 0 H GLY A 37 79.124 1.969 8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.578 2.746 10.352 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.715 1.261 10.003 1.00 0.00 H new ATOM 566 N ARG A 38 79.427 0.037 10.249 1.00 0.00 N ATOM 567 CA ARG A 38 80.372 -0.768 11.032 1.00 0.00 C ATOM 568 C ARG A 38 81.733 -0.077 11.155 1.00 0.00 C ATOM 569 O ARG A 38 82.100 0.756 10.326 1.00 0.00 O ATOM 570 CB ARG A 38 80.553 -2.147 10.382 1.00 0.00 C ATOM 571 CG ARG A 38 79.647 -3.183 11.065 1.00 0.00 C ATOM 572 CD ARG A 38 80.041 -4.598 10.617 1.00 0.00 C ATOM 573 NE ARG A 38 79.231 -5.011 9.474 1.00 0.00 N ATOM 574 CZ ARG A 38 79.697 -5.863 8.561 1.00 0.00 C ATOM 575 NH1 ARG A 38 80.906 -6.348 8.665 1.00 0.00 N ATOM 576 NH2 ARG A 38 78.941 -6.218 7.559 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.407 -0.173 9.251 1.00 0.00 H new ATOM 0 HA ARG A 38 79.958 -0.884 12.033 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.315 -2.090 9.320 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.595 -2.459 10.459 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.734 -3.098 12.148 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.604 -2.989 10.813 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.098 -4.621 10.350 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.905 -5.299 11.441 1.00 0.00 H new ATOM 0 HE ARG A 38 78.287 -4.639 9.372 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.499 -6.075 9.448 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.256 -7.000 7.963 1.00 0.00 H new ATOM 0 HH21 ARG A 38 77.996 -5.844 7.476 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.295 -6.870 6.859 1.00 0.00 H new ATOM 590 N LYS A 39 82.476 -0.440 12.203 1.00 0.00 N ATOM 591 CA LYS A 39 83.798 0.136 12.449 1.00 0.00 C ATOM 592 C LYS A 39 84.848 -0.493 11.534 1.00 0.00 C ATOM 593 O LYS A 39 84.611 -1.539 10.930 1.00 0.00 O ATOM 594 CB LYS A 39 84.197 -0.085 13.915 1.00 0.00 C ATOM 595 CG LYS A 39 83.644 1.051 14.789 1.00 0.00 C ATOM 596 CD LYS A 39 84.620 2.235 14.788 1.00 0.00 C ATOM 597 CE LYS A 39 84.135 3.306 15.770 1.00 0.00 C ATOM 598 NZ LYS A 39 84.654 3.001 17.132 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.184 -1.130 12.895 1.00 0.00 H new ATOM 0 HA LYS A 39 83.749 1.204 12.238 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.813 -1.043 14.264 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.283 -0.126 14.002 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.672 1.370 14.413 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.491 0.696 15.808 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.618 1.896 15.068 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.696 2.655 13.785 1.00 0.00 H new ATOM 0 HE2 LYS A 39 84.478 4.290 15.450 1.00 0.00 H new ATOM 0 HE3 LYS A 39 83.046 3.337 15.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 84.325 3.728 17.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 84.306 2.069 17.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 85.694 2.993 17.114 1.00 0.00 H new ATOM 612 N THR A 40 86.008 0.155 11.438 1.00 0.00 N ATOM 613 CA THR A 40 87.091 -0.341 10.593 1.00 0.00 C ATOM 614 C THR A 40 87.562 -1.719 11.048 1.00 0.00 C ATOM 615 O THR A 40 87.594 -2.016 12.244 1.00 0.00 O ATOM 616 CB THR A 40 88.268 0.637 10.622 1.00 0.00 C ATOM 617 OG1 THR A 40 88.517 1.039 11.960 1.00 0.00 O ATOM 618 CG2 THR A 40 87.934 1.864 9.775 1.00 0.00 C ATOM 0 H THR A 40 86.221 1.021 11.933 1.00 0.00 H new ATOM 0 HA THR A 40 86.709 -0.427 9.576 1.00 0.00 H new ATOM 0 HB THR A 40 89.155 0.148 10.218 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.204 0.461 12.353 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.773 2.560 9.796 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.744 1.556 8.747 1.00 0.00 H new ATOM 0 HG23 THR A 40 87.047 2.353 10.177 1.00 0.00 H new ATOM 626 N GLY A 41 87.935 -2.552 10.081 1.00 0.00 N ATOM 627 CA GLY A 41 88.416 -3.897 10.378 1.00 0.00 C ATOM 628 C GLY A 41 87.530 -4.585 11.406 1.00 0.00 C ATOM 629 O GLY A 41 88.019 -5.111 12.407 1.00 0.00 O ATOM 0 H GLY A 41 87.914 -2.320 9.088 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.441 -4.488 9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.439 -3.846 10.752 1.00 0.00 H new ATOM 633 N GLN A 42 86.226 -4.575 11.158 1.00 0.00 N ATOM 634 CA GLN A 42 85.276 -5.200 12.077 1.00 0.00 C ATOM 635 C GLN A 42 84.628 -6.425 11.442 1.00 0.00 C ATOM 636 O GLN A 42 84.082 -7.280 12.142 1.00 0.00 O ATOM 637 CB GLN A 42 84.191 -4.196 12.471 1.00 0.00 C ATOM 638 CG GLN A 42 83.249 -4.837 13.493 1.00 0.00 C ATOM 639 CD GLN A 42 82.449 -3.759 14.217 1.00 0.00 C ATOM 640 OE1 GLN A 42 82.500 -3.666 15.443 1.00 0.00 O ATOM 641 NE2 GLN A 42 81.710 -2.936 13.526 1.00 0.00 N ATOM 0 H GLN A 42 85.802 -4.145 10.336 1.00 0.00 H new ATOM 0 HA GLN A 42 85.823 -5.516 12.965 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.646 -3.299 12.892 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.631 -3.885 11.589 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.572 -5.528 12.991 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.823 -5.420 14.213 1.00 0.00 H new ATOM 0 HE21 GLN A 42 81.670 -3.016 12.510 1.00 0.00 H new ATOM 0 HE22 GLN A 42 81.172 -2.212 14.002 1.00 0.00 H new ATOM 701 N THR A 47 91.754 -11.443 7.479 1.00 0.00 N ATOM 702 CA THR A 47 92.685 -10.958 8.492 1.00 0.00 C ATOM 703 C THR A 47 92.949 -9.468 8.308 1.00 0.00 C ATOM 704 O THR A 47 93.924 -9.073 7.668 1.00 0.00 O ATOM 705 CB THR A 47 94.005 -11.726 8.399 1.00 0.00 C ATOM 706 OG1 THR A 47 93.734 -13.115 8.270 1.00 0.00 O ATOM 707 CG2 THR A 47 94.831 -11.480 9.662 1.00 0.00 C ATOM 0 HA THR A 47 92.239 -11.118 9.474 1.00 0.00 H new ATOM 0 HB THR A 47 94.566 -11.382 7.530 1.00 0.00 H new ATOM 0 HG1 THR A 47 92.876 -13.240 7.814 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.771 -12.028 9.594 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.038 -10.414 9.759 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.273 -11.822 10.534 1.00 0.00 H new ATOM 715 N TYR A 48 92.073 -8.645 8.873 1.00 0.00 N ATOM 716 CA TYR A 48 92.215 -7.198 8.767 1.00 0.00 C ATOM 717 C TYR A 48 93.532 -6.738 9.384 1.00 0.00 C ATOM 718 O TYR A 48 94.082 -7.400 10.264 1.00 0.00 O ATOM 719 CB TYR A 48 91.045 -6.510 9.479 1.00 0.00 C ATOM 720 CG TYR A 48 89.913 -6.300 8.504 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.970 -5.239 7.595 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.810 -7.158 8.512 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.923 -5.035 6.693 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.760 -6.954 7.610 1.00 0.00 C ATOM 725 CZ TYR A 48 87.817 -5.892 6.701 1.00 0.00 C ATOM 726 OH TYR A 48 86.783 -5.687 5.813 1.00 0.00 O ATOM 0 H TYR A 48 91.260 -8.953 9.407 1.00 0.00 H new ATOM 0 HA TYR A 48 92.212 -6.927 7.711 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.708 -7.119 10.318 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.368 -5.553 9.889 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.823 -4.577 7.590 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.768 -7.978 9.214 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.967 -4.216 5.990 1.00 0.00 H new ATOM 0 HE2 TYR A 48 86.906 -7.616 7.615 1.00 0.00 H new ATOM 0 HH TYR A 48 86.981 -4.906 5.255 1.00 0.00 H new ATOM 736 N THR A 49 94.027 -5.598 8.916 1.00 0.00 N ATOM 737 CA THR A 49 95.279 -5.053 9.428 1.00 0.00 C ATOM 738 C THR A 49 95.042 -4.318 10.744 1.00 0.00 C ATOM 739 O THR A 49 93.935 -3.851 11.012 1.00 0.00 O ATOM 740 CB THR A 49 95.885 -4.090 8.404 1.00 0.00 C ATOM 741 OG1 THR A 49 94.979 -3.020 8.169 1.00 0.00 O ATOM 742 CG2 THR A 49 96.150 -4.834 7.094 1.00 0.00 C ATOM 0 H THR A 49 93.585 -5.037 8.188 1.00 0.00 H new ATOM 0 HA THR A 49 95.970 -5.877 9.604 1.00 0.00 H new ATOM 0 HB THR A 49 96.824 -3.694 8.789 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.452 -2.166 8.254 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.581 -4.147 6.366 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.845 -5.654 7.275 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.213 -5.232 6.706 1.00 0.00 H new ATOM 750 N ASP A 50 96.085 -4.223 11.561 1.00 0.00 N ATOM 751 CA ASP A 50 95.976 -3.543 12.847 1.00 0.00 C ATOM 752 C ASP A 50 95.397 -2.145 12.668 1.00 0.00 C ATOM 753 O ASP A 50 94.507 -1.731 13.412 1.00 0.00 O ATOM 754 CB ASP A 50 97.352 -3.447 13.506 1.00 0.00 C ATOM 755 CG ASP A 50 97.225 -2.828 14.894 1.00 0.00 C ATOM 756 OD1 ASP A 50 97.025 -3.573 15.839 1.00 0.00 O ATOM 757 OD2 ASP A 50 97.329 -1.616 14.991 1.00 0.00 O1- ATOM 0 H ASP A 50 97.009 -4.605 11.358 1.00 0.00 H new ATOM 0 HA ASP A 50 95.308 -4.121 13.485 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.798 -4.439 13.581 1.00 0.00 H new ATOM 0 HB3 ASP A 50 98.018 -2.843 12.889 1.00 0.00 H new ATOM 762 N ALA A 51 95.906 -1.421 11.678 1.00 0.00 N ATOM 763 CA ALA A 51 95.429 -0.070 11.413 1.00 0.00 C ATOM 764 C ALA A 51 93.913 -0.058 11.265 1.00 0.00 C ATOM 765 O ALA A 51 93.240 0.847 11.755 1.00 0.00 O ATOM 766 CB ALA A 51 96.072 0.469 10.135 1.00 0.00 C ATOM 0 H ALA A 51 96.643 -1.744 11.051 1.00 0.00 H new ATOM 0 HA ALA A 51 95.706 0.565 12.255 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.710 1.479 9.944 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.155 0.488 10.253 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.809 -0.175 9.296 1.00 0.00 H new ATOM 772 N ASN A 52 93.380 -1.070 10.588 1.00 0.00 N ATOM 773 CA ASN A 52 91.938 -1.167 10.386 1.00 0.00 C ATOM 774 C ASN A 52 91.270 -1.757 11.625 1.00 0.00 C ATOM 775 O ASN A 52 90.093 -1.511 11.887 1.00 0.00 O ATOM 776 CB ASN A 52 91.644 -2.045 9.161 1.00 0.00 C ATOM 777 CG ASN A 52 91.265 -1.177 7.964 1.00 0.00 C ATOM 778 OD1 ASN A 52 91.666 -0.015 7.884 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.513 -1.677 7.024 1.00 0.00 N ATOM 0 H ASN A 52 93.920 -1.829 10.173 1.00 0.00 H new ATOM 0 HA ASN A 52 91.536 -0.168 10.215 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.519 -2.648 8.919 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.833 -2.737 9.388 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.255 -1.106 6.219 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.183 -2.640 7.093 1.00 0.00 H new ATOM 786 N LYS A 53 92.035 -2.527 12.389 1.00 0.00 N ATOM 787 CA LYS A 53 91.518 -3.142 13.604 1.00 0.00 C ATOM 788 C LYS A 53 91.626 -2.148 14.752 1.00 0.00 C ATOM 789 O LYS A 53 91.064 -2.349 15.829 1.00 0.00 O ATOM 790 CB LYS A 53 92.304 -4.438 13.900 1.00 0.00 C ATOM 791 CG LYS A 53 92.931 -4.403 15.302 1.00 0.00 C ATOM 792 CD LYS A 53 93.707 -5.700 15.540 1.00 0.00 C ATOM 793 CE LYS A 53 94.496 -5.589 16.847 1.00 0.00 C ATOM 794 NZ LYS A 53 95.139 -6.900 17.151 1.00 0.00 N1+ ATOM 0 H LYS A 53 93.012 -2.740 12.189 1.00 0.00 H new ATOM 0 HA LYS A 53 90.468 -3.407 13.479 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.637 -5.297 13.819 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.086 -4.570 13.153 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.597 -3.545 15.394 1.00 0.00 H new ATOM 0 HG3 LYS A 53 92.154 -4.286 16.058 1.00 0.00 H new ATOM 0 HD2 LYS A 53 93.019 -6.544 15.588 1.00 0.00 H new ATOM 0 HD3 LYS A 53 94.385 -5.889 14.708 1.00 0.00 H new ATOM 0 HE2 LYS A 53 95.254 -4.811 16.762 1.00 0.00 H new ATOM 0 HE3 LYS A 53 93.832 -5.299 17.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 95.675 -6.826 18.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 94.406 -7.632 17.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 95.784 -7.158 16.377 1.00 0.00 H new ATOM 808 N ASN A 54 92.353 -1.067 14.501 1.00 0.00 N ATOM 809 CA ASN A 54 92.540 -0.030 15.503 1.00 0.00 C ATOM 810 C ASN A 54 91.213 0.645 15.820 1.00 0.00 C ATOM 811 O ASN A 54 91.062 1.298 16.852 1.00 0.00 O ATOM 812 CB ASN A 54 93.533 1.008 14.978 1.00 0.00 C ATOM 813 CG ASN A 54 92.813 2.080 14.162 1.00 0.00 C ATOM 814 OD1 ASN A 54 93.151 3.261 14.253 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.838 1.740 13.366 1.00 0.00 N ATOM 0 H ASN A 54 92.822 -0.887 13.613 1.00 0.00 H new ATOM 0 HA ASN A 54 92.929 -0.483 16.415 1.00 0.00 H new ATOM 0 HB2 ASN A 54 94.058 1.471 15.813 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.286 0.518 14.360 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.355 2.452 12.818 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.558 0.762 13.291 1.00 0.00 H new ATOM 822 N LYS A 55 90.261 0.481 14.915 1.00 0.00 N ATOM 823 CA LYS A 55 88.939 1.076 15.090 1.00 0.00 C ATOM 824 C LYS A 55 89.059 2.584 15.286 1.00 0.00 C ATOM 825 O LYS A 55 88.731 3.108 16.350 1.00 0.00 O ATOM 826 CB LYS A 55 88.238 0.459 16.303 1.00 0.00 C ATOM 827 CG LYS A 55 87.800 -0.970 15.969 1.00 0.00 C ATOM 828 CD LYS A 55 86.980 -1.541 17.130 1.00 0.00 C ATOM 829 CE LYS A 55 86.138 -2.718 16.633 1.00 0.00 C ATOM 830 NZ LYS A 55 85.301 -3.237 17.752 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.375 -0.056 14.055 1.00 0.00 H new ATOM 0 HA LYS A 55 88.351 0.877 14.194 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.911 0.453 17.161 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.372 1.060 16.581 1.00 0.00 H new ATOM 0 HG2 LYS A 55 87.207 -0.975 15.055 1.00 0.00 H new ATOM 0 HG3 LYS A 55 88.674 -1.595 15.785 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.643 -1.868 17.931 1.00 0.00 H new ATOM 0 HD3 LYS A 55 86.334 -0.769 17.547 1.00 0.00 H new ATOM 0 HE2 LYS A 55 85.503 -2.401 15.806 1.00 0.00 H new ATOM 0 HE3 LYS A 55 86.786 -3.508 16.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 84.728 -4.037 17.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.917 -3.554 18.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 84.673 -2.482 18.095 1.00 0.00 H new ATOM 844 N GLY A 56 89.542 3.275 14.258 1.00 0.00 N ATOM 845 CA GLY A 56 89.714 4.722 14.336 1.00 0.00 C ATOM 846 C GLY A 56 88.462 5.464 13.878 1.00 0.00 C ATOM 847 O GLY A 56 88.113 6.505 14.434 1.00 0.00 O ATOM 0 H GLY A 56 89.819 2.861 13.368 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.951 5.006 15.361 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.561 5.022 13.719 1.00 0.00 H new ATOM 851 N ILE A 57 87.790 4.930 12.863 1.00 0.00 N ATOM 852 CA ILE A 57 86.580 5.567 12.346 1.00 0.00 C ATOM 853 C ILE A 57 85.556 4.524 11.921 1.00 0.00 C ATOM 854 O ILE A 57 85.840 3.326 11.917 1.00 0.00 O ATOM 855 CB ILE A 57 86.932 6.462 11.154 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.354 5.594 9.955 1.00 0.00 C ATOM 857 CG2 ILE A 57 88.089 7.386 11.544 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.122 5.123 9.166 1.00 0.00 C ATOM 0 H ILE A 57 88.057 4.069 12.386 1.00 0.00 H new ATOM 0 HA ILE A 57 86.145 6.173 13.141 1.00 0.00 H new ATOM 0 HB ILE A 57 86.061 7.055 10.877 1.00 0.00 H new ATOM 0 HG12 ILE A 57 88.015 6.164 9.302 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.920 4.731 10.306 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.344 8.026 10.699 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.791 8.004 12.391 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.956 6.786 11.820 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.442 4.511 8.323 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.476 4.534 9.817 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.573 5.989 8.798 1.00 0.00 H new ATOM 870 N THR A 58 84.363 4.991 11.559 1.00 0.00 N ATOM 871 CA THR A 58 83.292 4.097 11.131 1.00 0.00 C ATOM 872 C THR A 58 82.958 4.319 9.662 1.00 0.00 C ATOM 873 O THR A 58 82.927 5.455 9.188 1.00 0.00 O ATOM 874 CB THR A 58 82.040 4.344 11.979 1.00 0.00 C ATOM 875 OG1 THR A 58 82.341 4.098 13.346 1.00 0.00 O ATOM 876 CG2 THR A 58 80.915 3.409 11.527 1.00 0.00 C ATOM 0 H THR A 58 84.115 5.980 11.554 1.00 0.00 H new ATOM 0 HA THR A 58 83.630 3.069 11.263 1.00 0.00 H new ATOM 0 HB THR A 58 81.718 5.378 11.855 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.542 4.257 13.891 1.00 0.00 H new ATOM 0 HG21 THR A 58 80.027 3.589 12.133 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.683 3.599 10.479 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.233 2.373 11.647 1.00 0.00 H new ATOM 884 N TRP A 59 82.692 3.228 8.948 1.00 0.00 N ATOM 885 CA TRP A 59 82.346 3.332 7.538 1.00 0.00 C ATOM 886 C TRP A 59 81.011 4.051 7.387 1.00 0.00 C ATOM 887 O TRP A 59 80.067 3.792 8.134 1.00 0.00 O ATOM 888 CB TRP A 59 82.244 1.948 6.894 1.00 0.00 C ATOM 889 CG TRP A 59 83.391 1.084 7.322 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.678 1.486 7.418 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.373 -0.325 7.703 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.452 0.411 7.826 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.691 -0.724 8.022 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.353 -1.285 7.801 1.00 0.00 C ATOM 895 CZ2 TRP A 59 84.982 -2.030 8.426 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.643 -2.598 8.205 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.954 -2.969 8.518 1.00 0.00 C ATOM 0 H TRP A 59 82.709 2.277 9.317 1.00 0.00 H new ATOM 0 HA TRP A 59 83.133 3.895 7.037 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.302 1.478 7.176 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.239 2.045 5.808 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.043 2.481 7.211 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.462 0.453 7.965 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.336 -1.011 7.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 85.997 -2.311 8.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.848 -3.326 8.274 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.171 -3.980 8.830 1.00 0.00 H new ATOM 908 N LYS A 60 80.940 4.949 6.417 1.00 0.00 N ATOM 909 CA LYS A 60 79.721 5.707 6.166 1.00 0.00 C ATOM 910 C LYS A 60 79.715 6.201 4.725 1.00 0.00 C ATOM 911 O LYS A 60 80.488 5.718 3.900 1.00 0.00 O ATOM 912 CB LYS A 60 79.637 6.897 7.128 1.00 0.00 C ATOM 913 CG LYS A 60 79.425 6.390 8.559 1.00 0.00 C ATOM 914 CD LYS A 60 78.978 7.546 9.459 1.00 0.00 C ATOM 915 CE LYS A 60 80.173 8.451 9.766 1.00 0.00 C ATOM 916 NZ LYS A 60 79.774 9.476 10.772 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.712 5.172 5.789 1.00 0.00 H new ATOM 0 HA LYS A 60 78.857 5.062 6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.552 7.487 7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.816 7.553 6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.674 5.600 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.349 5.956 8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.192 8.119 8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.557 7.156 10.386 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.004 7.857 10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.519 8.937 8.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.586 10.092 10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 78.993 10.049 10.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.464 9.003 11.645 1.00 0.00 H new ATOM 930 N GLU A 61 78.849 7.159 4.421 1.00 0.00 N ATOM 931 CA GLU A 61 78.776 7.691 3.068 1.00 0.00 C ATOM 932 C GLU A 61 79.960 8.615 2.791 1.00 0.00 C ATOM 933 O GLU A 61 80.737 8.382 1.866 1.00 0.00 O ATOM 934 CB GLU A 61 77.470 8.462 2.879 1.00 0.00 C ATOM 935 CG GLU A 61 77.293 8.815 1.400 1.00 0.00 C ATOM 936 CD GLU A 61 75.983 9.567 1.196 1.00 0.00 C ATOM 937 OE1 GLU A 61 74.979 8.916 0.959 1.00 0.00 O1- ATOM 938 OE2 GLU A 61 76.003 10.785 1.278 1.00 0.00 O ATOM 0 H GLU A 61 78.196 7.578 5.083 1.00 0.00 H new ATOM 0 HA GLU A 61 78.809 6.856 2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.628 7.862 3.223 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.481 9.370 3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.129 9.426 1.061 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.298 7.906 0.798 1.00 0.00 H new ATOM 945 N GLU A 62 80.092 9.659 3.600 1.00 0.00 N ATOM 946 CA GLU A 62 81.184 10.611 3.428 1.00 0.00 C ATOM 947 C GLU A 62 82.524 9.968 3.769 1.00 0.00 C ATOM 948 O GLU A 62 83.514 10.173 3.069 1.00 0.00 O ATOM 949 CB GLU A 62 80.958 11.832 4.322 1.00 0.00 C ATOM 950 CG GLU A 62 79.725 12.598 3.837 1.00 0.00 C ATOM 951 CD GLU A 62 79.372 13.698 4.832 1.00 0.00 C ATOM 952 OE1 GLU A 62 79.455 13.443 6.022 1.00 0.00 O ATOM 953 OE2 GLU A 62 79.023 14.781 4.390 1.00 0.00 O1- ATOM 0 H GLU A 62 79.463 9.868 4.375 1.00 0.00 H new ATOM 0 HA GLU A 62 81.204 10.923 2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 62 80.821 11.518 5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 62 81.834 12.480 4.299 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.918 13.032 2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 62 78.883 11.915 3.723 1.00 0.00 H new ATOM 960 N THR A 63 82.551 9.189 4.842 1.00 0.00 N ATOM 961 CA THR A 63 83.781 8.526 5.250 1.00 0.00 C ATOM 962 C THR A 63 84.343 7.713 4.097 1.00 0.00 C ATOM 963 O THR A 63 85.556 7.643 3.901 1.00 0.00 O ATOM 964 CB THR A 63 83.516 7.601 6.436 1.00 0.00 C ATOM 965 OG1 THR A 63 82.551 6.631 6.067 1.00 0.00 O ATOM 966 CG2 THR A 63 82.995 8.419 7.614 1.00 0.00 C ATOM 0 H THR A 63 81.745 9.002 5.439 1.00 0.00 H new ATOM 0 HA THR A 63 84.503 9.289 5.543 1.00 0.00 H new ATOM 0 HB THR A 63 84.441 7.103 6.725 1.00 0.00 H new ATOM 0 HG1 THR A 63 82.069 6.935 5.270 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.806 7.759 8.460 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.738 9.166 7.895 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.069 8.918 7.329 1.00 0.00 H new ATOM 974 N LEU A 64 83.449 7.099 3.332 1.00 0.00 N ATOM 975 CA LEU A 64 83.866 6.293 2.195 1.00 0.00 C ATOM 976 C LEU A 64 84.417 7.190 1.089 1.00 0.00 C ATOM 977 O LEU A 64 85.320 6.793 0.357 1.00 0.00 O ATOM 978 CB LEU A 64 82.681 5.479 1.654 1.00 0.00 C ATOM 979 CG LEU A 64 82.807 4.003 2.059 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.473 3.291 1.801 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.915 3.330 1.233 1.00 0.00 C ATOM 0 H LEU A 64 82.440 7.144 3.477 1.00 0.00 H new ATOM 0 HA LEU A 64 84.647 5.608 2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.747 5.888 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.642 5.561 0.568 1.00 0.00 H new ATOM 0 HG LEU A 64 83.059 3.938 3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.559 2.243 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.688 3.765 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.223 3.359 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.001 2.283 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.668 3.393 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.863 3.836 1.415 1.00 0.00 H new ATOM 993 N MET A 65 83.854 8.392 0.961 1.00 0.00 N ATOM 994 CA MET A 65 84.296 9.320 -0.079 1.00 0.00 C ATOM 995 C MET A 65 85.759 9.706 0.096 1.00 0.00 C ATOM 996 O MET A 65 86.572 9.500 -0.806 1.00 0.00 O ATOM 997 CB MET A 65 83.437 10.585 -0.060 1.00 0.00 C ATOM 998 CG MET A 65 81.998 10.225 -0.418 1.00 0.00 C ATOM 999 SD MET A 65 80.917 11.635 -0.070 1.00 0.00 S ATOM 1000 CE MET A 65 80.748 12.216 -1.772 1.00 0.00 C ATOM 0 H MET A 65 83.102 8.742 1.555 1.00 0.00 H new ATOM 0 HA MET A 65 84.186 8.811 -1.036 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.473 11.048 0.926 1.00 0.00 H new ATOM 0 HB3 MET A 65 83.828 11.314 -0.769 1.00 0.00 H new ATOM 0 HG2 MET A 65 81.931 9.954 -1.472 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.676 9.356 0.156 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.108 13.098 -1.794 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.731 12.471 -2.169 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.303 11.430 -2.382 1.00 0.00 H new ATOM 1010 N GLU A 66 86.098 10.260 1.253 1.00 0.00 N ATOM 1011 CA GLU A 66 87.476 10.656 1.506 1.00 0.00 C ATOM 1012 C GLU A 66 88.374 9.427 1.463 1.00 0.00 C ATOM 1013 O GLU A 66 89.546 9.504 1.091 1.00 0.00 O ATOM 1014 CB GLU A 66 87.592 11.340 2.871 1.00 0.00 C ATOM 1015 CG GLU A 66 87.116 10.391 3.971 1.00 0.00 C ATOM 1016 CD GLU A 66 86.970 11.156 5.283 1.00 0.00 C ATOM 1017 OE1 GLU A 66 87.647 12.159 5.440 1.00 0.00 O ATOM 1018 OE2 GLU A 66 86.184 10.729 6.111 1.00 0.00 O1- ATOM 0 H GLU A 66 85.450 10.443 2.019 1.00 0.00 H new ATOM 0 HA GLU A 66 87.790 11.362 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 66 88.626 11.633 3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 66 86.995 12.252 2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.162 9.944 3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.827 9.574 4.093 1.00 0.00 H new ATOM 1025 N TYR A 67 87.800 8.292 1.842 1.00 0.00 N ATOM 1026 CA TYR A 67 88.523 7.027 1.849 1.00 0.00 C ATOM 1027 C TYR A 67 88.620 6.449 0.436 1.00 0.00 C ATOM 1028 O TYR A 67 89.522 5.668 0.135 1.00 0.00 O ATOM 1029 CB TYR A 67 87.796 6.047 2.776 1.00 0.00 C ATOM 1030 CG TYR A 67 88.296 4.638 2.560 1.00 0.00 C ATOM 1031 CD1 TYR A 67 87.749 3.850 1.540 1.00 0.00 C ATOM 1032 CD2 TYR A 67 89.294 4.113 3.392 1.00 0.00 C ATOM 1033 CE1 TYR A 67 88.201 2.540 1.349 1.00 0.00 C ATOM 1034 CE2 TYR A 67 89.745 2.801 3.201 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.198 2.014 2.180 1.00 0.00 C ATOM 1036 OH TYR A 67 89.641 0.721 1.992 1.00 0.00 O ATOM 0 H TYR A 67 86.830 8.222 2.150 1.00 0.00 H new ATOM 0 HA TYR A 67 89.538 7.194 2.211 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.951 6.338 3.815 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.723 6.090 2.590 1.00 0.00 H new ATOM 0 HD1 TYR A 67 86.978 4.254 0.901 1.00 0.00 H new ATOM 0 HD2 TYR A 67 89.715 4.720 4.180 1.00 0.00 H new ATOM 0 HE1 TYR A 67 87.781 1.934 0.560 1.00 0.00 H new ATOM 0 HE2 TYR A 67 90.515 2.396 3.841 1.00 0.00 H new ATOM 0 HH TYR A 67 89.802 0.566 1.038 1.00 0.00 H new ATOM 1046 N LEU A 68 87.675 6.828 -0.423 1.00 0.00 N ATOM 1047 CA LEU A 68 87.650 6.330 -1.797 1.00 0.00 C ATOM 1048 C LEU A 68 88.670 7.062 -2.671 1.00 0.00 C ATOM 1049 O LEU A 68 89.012 6.594 -3.757 1.00 0.00 O ATOM 1050 CB LEU A 68 86.239 6.495 -2.389 1.00 0.00 C ATOM 1051 CG LEU A 68 85.475 5.164 -2.316 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.011 5.385 -2.699 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.091 4.150 -3.282 1.00 0.00 C ATOM 0 H LEU A 68 86.920 7.475 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 68 87.916 5.273 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.695 7.266 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.308 6.827 -3.425 1.00 0.00 H new ATOM 0 HG LEU A 68 85.538 4.782 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.474 4.438 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.558 6.098 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 68 83.956 5.777 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.542 3.210 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.037 4.538 -4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.133 3.979 -3.014 1.00 0.00 H new ATOM 1065 N GLU A 69 89.152 8.207 -2.198 1.00 0.00 N ATOM 1066 CA GLU A 69 90.133 8.985 -2.956 1.00 0.00 C ATOM 1067 C GLU A 69 91.540 8.741 -2.423 1.00 0.00 C ATOM 1068 O GLU A 69 92.528 9.128 -3.047 1.00 0.00 O ATOM 1069 CB GLU A 69 89.806 10.476 -2.860 1.00 0.00 C ATOM 1070 CG GLU A 69 89.677 10.878 -1.392 1.00 0.00 C ATOM 1071 CD GLU A 69 89.522 12.390 -1.276 1.00 0.00 C ATOM 1072 OE1 GLU A 69 89.526 13.047 -2.304 1.00 0.00 O ATOM 1073 OE2 GLU A 69 89.403 12.869 -0.160 1.00 0.00 O1- ATOM 0 H GLU A 69 88.884 8.616 -1.303 1.00 0.00 H new ATOM 0 HA GLU A 69 90.089 8.668 -3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 69 90.589 11.062 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.877 10.690 -3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.816 10.381 -0.945 1.00 0.00 H new ATOM 0 HG3 GLU A 69 90.557 10.551 -0.838 1.00 0.00 H new ATOM 1080 N ASN A 70 91.619 8.095 -1.268 1.00 0.00 N ATOM 1081 CA ASN A 70 92.909 7.798 -0.653 1.00 0.00 C ATOM 1082 C ASN A 70 92.723 6.819 0.508 1.00 0.00 C ATOM 1083 O ASN A 70 92.858 7.180 1.676 1.00 0.00 O ATOM 1084 CB ASN A 70 93.562 9.096 -0.160 1.00 0.00 C ATOM 1085 CG ASN A 70 95.080 8.999 -0.278 1.00 0.00 C ATOM 1086 OD1 ASN A 70 95.725 9.919 -0.781 1.00 0.00 O ATOM 1087 ND2 ASN A 70 95.692 7.932 0.156 1.00 0.00 N ATOM 0 H ASN A 70 90.811 7.767 -0.739 1.00 0.00 H new ATOM 0 HA ASN A 70 93.562 7.337 -1.394 1.00 0.00 H new ATOM 0 HB2 ASN A 70 93.198 9.940 -0.745 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.282 9.282 0.877 1.00 0.00 H new ATOM 0 HD21 ASN A 70 96.706 7.859 0.079 1.00 0.00 H new ATOM 0 HD22 ASN A 70 95.156 7.171 0.573 1.00 0.00 H new ATOM 1094 N PRO A 71 92.401 5.596 0.188 1.00 0.00 N ATOM 1095 CA PRO A 71 92.167 4.516 1.198 1.00 0.00 C ATOM 1096 C PRO A 71 93.344 4.312 2.151 1.00 0.00 C ATOM 1097 O PRO A 71 93.154 3.954 3.314 1.00 0.00 O ATOM 1098 CB PRO A 71 91.948 3.259 0.342 1.00 0.00 C ATOM 1099 CG PRO A 71 91.547 3.754 -1.007 1.00 0.00 C ATOM 1100 CD PRO A 71 92.225 5.108 -1.187 1.00 0.00 C ATOM 0 HA PRO A 71 91.328 4.762 1.849 1.00 0.00 H new ATOM 0 HB2 PRO A 71 92.857 2.661 0.285 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.174 2.623 0.772 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.859 3.057 -1.785 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.464 3.849 -1.080 1.00 0.00 H new ATOM 0 HD2 PRO A 71 93.180 5.012 -1.703 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.611 5.788 -1.778 1.00 0.00 H new ATOM 1108 N LYS A 72 94.557 4.513 1.651 1.00 0.00 N ATOM 1109 CA LYS A 72 95.750 4.314 2.470 1.00 0.00 C ATOM 1110 C LYS A 72 96.015 5.509 3.383 1.00 0.00 C ATOM 1111 O LYS A 72 96.279 5.341 4.573 1.00 0.00 O ATOM 1112 CB LYS A 72 96.963 4.090 1.563 1.00 0.00 C ATOM 1113 CG LYS A 72 98.202 3.759 2.409 1.00 0.00 C ATOM 1114 CD LYS A 72 98.223 2.263 2.751 1.00 0.00 C ATOM 1115 CE LYS A 72 98.798 1.465 1.575 1.00 0.00 C ATOM 1116 NZ LYS A 72 100.287 1.525 1.614 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.742 4.810 0.693 1.00 0.00 H new ATOM 0 HA LYS A 72 95.581 3.440 3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.761 3.276 0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.149 4.982 0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 72 99.107 4.028 1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.195 4.349 3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.824 2.094 3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 72 97.214 1.919 2.976 1.00 0.00 H new ATOM 0 HE2 LYS A 72 98.464 0.429 1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.432 1.871 0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 100.666 1.377 0.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 100.588 2.457 1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 100.648 0.783 2.248 1.00 0.00 H new ATOM 1130 N LYS A 73 95.969 6.706 2.818 1.00 0.00 N ATOM 1131 CA LYS A 73 96.235 7.910 3.595 1.00 0.00 C ATOM 1132 C LYS A 73 95.267 8.046 4.768 1.00 0.00 C ATOM 1133 O LYS A 73 95.640 8.541 5.832 1.00 0.00 O ATOM 1134 CB LYS A 73 96.124 9.148 2.704 1.00 0.00 C ATOM 1135 CG LYS A 73 96.365 10.404 3.545 1.00 0.00 C ATOM 1136 CD LYS A 73 96.652 11.594 2.623 1.00 0.00 C ATOM 1137 CE LYS A 73 96.394 12.903 3.375 1.00 0.00 C ATOM 1138 NZ LYS A 73 97.153 14.007 2.723 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.753 6.871 1.835 1.00 0.00 H new ATOM 0 HA LYS A 73 97.247 7.827 3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.852 9.094 1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 73 95.137 9.190 2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 73 95.492 10.613 4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.204 10.245 4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 73 97.686 11.559 2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 73 96.019 11.541 1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 73 95.328 13.131 3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 73 96.699 12.803 4.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 96.979 14.897 3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 98.170 13.789 2.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 96.841 14.107 1.736 1.00 0.00 H new ATOM 1152 N TYR A 74 94.023 7.624 4.570 1.00 0.00 N ATOM 1153 CA TYR A 74 93.023 7.729 5.627 1.00 0.00 C ATOM 1154 C TYR A 74 93.345 6.785 6.783 1.00 0.00 C ATOM 1155 O TYR A 74 93.456 7.216 7.931 1.00 0.00 O ATOM 1156 CB TYR A 74 91.626 7.425 5.070 1.00 0.00 C ATOM 1157 CG TYR A 74 90.604 8.275 5.791 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.653 9.671 5.675 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.615 7.673 6.579 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.715 10.462 6.348 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.676 8.465 7.250 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.727 9.860 7.135 1.00 0.00 C ATOM 1163 OH TYR A 74 87.804 10.641 7.800 1.00 0.00 O ATOM 0 H TYR A 74 93.686 7.211 3.700 1.00 0.00 H new ATOM 0 HA TYR A 74 93.039 8.751 6.007 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.596 7.630 4.000 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.393 6.368 5.199 1.00 0.00 H new ATOM 0 HD1 TYR A 74 91.414 10.136 5.066 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.577 6.597 6.669 1.00 0.00 H new ATOM 0 HE1 TYR A 74 89.754 11.538 6.260 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.912 8.001 7.856 1.00 0.00 H new ATOM 0 HH TYR A 74 86.908 10.460 7.447 1.00 0.00 H new ATOM 1173 N ILE A 75 93.495 5.500 6.477 1.00 0.00 N ATOM 1174 CA ILE A 75 93.808 4.508 7.505 1.00 0.00 C ATOM 1175 C ILE A 75 95.074 3.736 7.136 1.00 0.00 C ATOM 1176 O ILE A 75 95.016 2.547 6.822 1.00 0.00 O ATOM 1177 CB ILE A 75 92.635 3.532 7.662 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.342 4.322 7.892 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.888 2.613 8.863 1.00 0.00 C ATOM 1180 CD1 ILE A 75 90.133 3.410 7.658 1.00 0.00 C ATOM 0 H ILE A 75 93.406 5.121 5.534 1.00 0.00 H new ATOM 0 HA ILE A 75 93.976 5.027 8.449 1.00 0.00 H new ATOM 0 HB ILE A 75 92.541 2.931 6.758 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.321 4.717 8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.301 5.177 7.217 1.00 0.00 H new ATOM 0 HG21 ILE A 75 92.054 1.920 8.973 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.808 2.051 8.703 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.982 3.214 9.767 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.215 3.974 7.822 1.00 0.00 H new ATOM 0 HD12 ILE A 75 90.152 3.037 6.634 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.172 2.570 8.351 1.00 0.00 H new ATOM 1192 N PRO A 76 96.208 4.389 7.169 1.00 0.00 N ATOM 1193 CA PRO A 76 97.512 3.751 6.833 1.00 0.00 C ATOM 1194 C PRO A 76 97.644 2.362 7.449 1.00 0.00 C ATOM 1195 O PRO A 76 97.437 2.185 8.648 1.00 0.00 O ATOM 1196 CB PRO A 76 98.543 4.714 7.423 1.00 0.00 C ATOM 1197 CG PRO A 76 97.883 6.055 7.403 1.00 0.00 C ATOM 1198 CD PRO A 76 96.375 5.807 7.531 1.00 0.00 C ATOM 0 HA PRO A 76 97.633 3.596 5.761 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.816 4.425 8.438 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.460 4.718 6.834 1.00 0.00 H new ATOM 0 HG2 PRO A 76 98.244 6.676 8.223 1.00 0.00 H new ATOM 0 HG3 PRO A 76 98.111 6.585 6.478 1.00 0.00 H new ATOM 0 HD2 PRO A 76 96.024 6.003 8.544 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.807 6.457 6.866 1.00 0.00 H new ATOM 1206 N GLY A 77 97.984 1.383 6.619 1.00 0.00 N ATOM 1207 CA GLY A 77 98.138 0.009 7.087 1.00 0.00 C ATOM 1208 C GLY A 77 97.130 -0.906 6.402 1.00 0.00 C ATOM 1209 O GLY A 77 97.398 -2.088 6.185 1.00 0.00 O ATOM 0 H GLY A 77 98.158 1.513 5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.151 -0.339 6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 77 97.998 -0.031 8.167 1.00 0.00 H new ATOM 1213 N THR A 78 95.971 -0.351 6.058 1.00 0.00 N ATOM 1214 CA THR A 78 94.934 -1.129 5.393 1.00 0.00 C ATOM 1215 C THR A 78 95.489 -1.772 4.128 1.00 0.00 C ATOM 1216 O THR A 78 96.191 -1.124 3.351 1.00 0.00 O ATOM 1217 CB THR A 78 93.754 -0.227 5.035 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.742 -1.000 4.406 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.229 0.868 4.086 1.00 0.00 C ATOM 0 H THR A 78 95.729 0.625 6.227 1.00 0.00 H new ATOM 0 HA THR A 78 94.595 -1.912 6.071 1.00 0.00 H new ATOM 0 HB THR A 78 93.350 0.227 5.940 1.00 0.00 H new ATOM 0 HG1 THR A 78 91.984 -0.423 4.178 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.390 1.514 3.827 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.006 1.458 4.572 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.631 0.415 3.180 1.00 0.00 H new ATOM 1227 N LYS A 79 95.183 -3.049 3.931 1.00 0.00 N ATOM 1228 CA LYS A 79 95.674 -3.762 2.755 1.00 0.00 C ATOM 1229 C LYS A 79 94.794 -3.489 1.537 1.00 0.00 C ATOM 1230 O LYS A 79 93.821 -4.199 1.294 1.00 0.00 O ATOM 1231 CB LYS A 79 95.708 -5.267 3.035 1.00 0.00 C ATOM 1232 CG LYS A 79 96.299 -6.003 1.824 1.00 0.00 C ATOM 1233 CD LYS A 79 97.010 -7.276 2.291 1.00 0.00 C ATOM 1234 CE LYS A 79 95.997 -8.219 2.944 1.00 0.00 C ATOM 1235 NZ LYS A 79 96.649 -9.530 3.225 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.605 -3.607 4.560 1.00 0.00 H new ATOM 0 HA LYS A 79 96.681 -3.405 2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 79 96.307 -5.468 3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 79 94.701 -5.632 3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 79 95.508 -6.255 1.118 1.00 0.00 H new ATOM 0 HG3 LYS A 79 97.001 -5.355 1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 79 97.488 -7.769 1.445 1.00 0.00 H new ATOM 0 HD3 LYS A 79 97.798 -7.025 3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 79 95.621 -7.782 3.869 1.00 0.00 H new ATOM 0 HE3 LYS A 79 95.139 -8.361 2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 95.961 -10.172 3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 96.987 -9.947 2.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 97.454 -9.387 3.868 1.00 0.00 H new ATOM 1249 N MET A 80 95.153 -2.465 0.766 1.00 0.00 N ATOM 1250 CA MET A 80 94.394 -2.123 -0.434 1.00 0.00 C ATOM 1251 C MET A 80 95.110 -1.043 -1.240 1.00 0.00 C ATOM 1252 O MET A 80 94.960 0.149 -0.972 1.00 0.00 O ATOM 1253 CB MET A 80 92.993 -1.631 -0.059 1.00 0.00 C ATOM 1254 CG MET A 80 92.227 -1.261 -1.335 1.00 0.00 C ATOM 1255 SD MET A 80 90.484 -0.963 -0.940 1.00 0.00 S ATOM 1256 CE MET A 80 90.165 0.270 -2.226 1.00 0.00 C ATOM 0 H MET A 80 95.956 -1.863 0.948 1.00 0.00 H new ATOM 0 HA MET A 80 94.310 -3.023 -1.043 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.457 -2.406 0.488 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.063 -0.766 0.600 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.664 -0.371 -1.787 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.311 -2.065 -2.067 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.130 0.190 -2.558 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.342 1.268 -1.825 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.831 0.095 -3.071 1.00 0.00 H new ATOM 1266 N ILE A 81 95.881 -1.472 -2.236 1.00 0.00 N ATOM 1267 CA ILE A 81 96.616 -0.544 -3.094 1.00 0.00 C ATOM 1268 C ILE A 81 96.255 -0.786 -4.556 1.00 0.00 C ATOM 1269 O ILE A 81 96.535 -1.852 -5.105 1.00 0.00 O ATOM 1270 CB ILE A 81 98.126 -0.730 -2.904 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.536 -0.242 -1.507 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.878 0.084 -3.961 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.074 -1.238 -0.434 1.00 0.00 C ATOM 0 H ILE A 81 96.014 -2.456 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 81 96.343 0.474 -2.818 1.00 0.00 H new ATOM 0 HB ILE A 81 98.373 -1.787 -3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.618 -0.123 -1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 81 98.099 0.738 -1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.952 -0.048 -3.826 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.592 -0.259 -4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.626 1.139 -3.855 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.373 -0.877 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 81 96.989 -1.335 -0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.532 -2.210 -0.618 1.00 0.00 H new ATOM 1285 N PHE A 82 95.633 0.207 -5.184 1.00 0.00 N ATOM 1286 CA PHE A 82 95.241 0.085 -6.585 1.00 0.00 C ATOM 1287 C PHE A 82 95.198 1.457 -7.252 1.00 0.00 C ATOM 1288 O PHE A 82 96.124 1.838 -7.968 1.00 0.00 O ATOM 1289 CB PHE A 82 93.867 -0.584 -6.685 1.00 0.00 C ATOM 1290 CG PHE A 82 93.408 -0.589 -8.125 1.00 0.00 C ATOM 1291 CD1 PHE A 82 93.890 -1.561 -9.010 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.500 0.377 -8.574 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.464 -1.566 -10.344 1.00 0.00 C ATOM 1294 CE2 PHE A 82 92.074 0.372 -9.908 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.556 -0.600 -10.793 1.00 0.00 C ATOM 0 H PHE A 82 95.391 1.098 -4.750 1.00 0.00 H new ATOM 0 HA PHE A 82 95.980 -0.529 -7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.920 -1.605 -6.306 1.00 0.00 H new ATOM 0 HB3 PHE A 82 93.146 -0.051 -6.065 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.590 -2.307 -8.664 1.00 0.00 H new ATOM 0 HD2 PHE A 82 92.128 1.127 -7.891 1.00 0.00 H new ATOM 0 HE1 PHE A 82 93.836 -2.316 -11.027 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.374 1.118 -10.254 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.227 -0.604 -11.822 1.00 0.00 H new ATOM 1305 N ALA A 83 94.118 2.194 -7.013 1.00 0.00 N ATOM 1306 CA ALA A 83 93.968 3.522 -7.597 1.00 0.00 C ATOM 1307 C ALA A 83 92.746 4.226 -7.016 1.00 0.00 C ATOM 1308 O ALA A 83 91.608 3.841 -7.289 1.00 0.00 O ATOM 1309 CB ALA A 83 93.823 3.412 -9.116 1.00 0.00 C ATOM 0 H ALA A 83 93.340 1.897 -6.424 1.00 0.00 H new ATOM 0 HA ALA A 83 94.857 4.106 -7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.711 4.408 -9.544 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.710 2.935 -9.533 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.944 2.814 -9.355 1.00 0.00 H new ATOM 1315 N GLY A 84 92.989 5.257 -6.216 1.00 0.00 N ATOM 1316 CA GLY A 84 91.902 6.008 -5.601 1.00 0.00 C ATOM 1317 C GLY A 84 91.040 6.685 -6.661 1.00 0.00 C ATOM 1318 O GLY A 84 91.374 6.677 -7.846 1.00 0.00 O ATOM 0 H GLY A 84 93.923 5.591 -5.979 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.287 5.339 -5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.311 6.759 -4.925 1.00 0.00 H new ATOM 1322 N ILE A 85 89.930 7.273 -6.226 1.00 0.00 N ATOM 1323 CA ILE A 85 89.025 7.957 -7.146 1.00 0.00 C ATOM 1324 C ILE A 85 89.523 9.374 -7.422 1.00 0.00 C ATOM 1325 O ILE A 85 90.325 9.916 -6.660 1.00 0.00 O ATOM 1326 CB ILE A 85 87.619 8.004 -6.544 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.053 6.576 -6.437 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.706 8.861 -7.425 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.335 6.188 -7.735 1.00 0.00 C ATOM 0 H ILE A 85 89.636 7.290 -5.249 1.00 0.00 H new ATOM 0 HA ILE A 85 88.995 7.409 -8.088 1.00 0.00 H new ATOM 0 HB ILE A 85 87.669 8.445 -5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.860 5.872 -6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.360 6.514 -5.598 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.706 8.891 -6.992 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.105 9.873 -7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.655 8.430 -8.425 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.940 5.176 -7.644 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.515 6.882 -7.919 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.039 6.230 -8.566 1.00 0.00 H new ATOM 1341 N LYS A 86 89.058 9.966 -8.520 1.00 0.00 N ATOM 1342 CA LYS A 86 89.480 11.316 -8.889 1.00 0.00 C ATOM 1343 C LYS A 86 88.414 12.352 -8.537 1.00 0.00 C ATOM 1344 O LYS A 86 88.608 13.169 -7.636 1.00 0.00 O ATOM 1345 CB LYS A 86 89.772 11.375 -10.389 1.00 0.00 C ATOM 1346 CG LYS A 86 90.325 12.756 -10.747 1.00 0.00 C ATOM 1347 CD LYS A 86 90.763 12.774 -12.215 1.00 0.00 C ATOM 1348 CE LYS A 86 91.965 11.842 -12.418 1.00 0.00 C ATOM 1349 NZ LYS A 86 91.481 10.484 -12.797 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.395 9.537 -9.165 1.00 0.00 H new ATOM 0 HA LYS A 86 90.382 11.551 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 86 90.491 10.602 -10.661 1.00 0.00 H new ATOM 0 HB3 LYS A 86 88.862 11.178 -10.956 1.00 0.00 H new ATOM 0 HG2 LYS A 86 89.565 13.518 -10.575 1.00 0.00 H new ATOM 0 HG3 LYS A 86 91.170 12.998 -10.103 1.00 0.00 H new ATOM 0 HD2 LYS A 86 89.937 12.459 -12.853 1.00 0.00 H new ATOM 0 HD3 LYS A 86 91.026 13.789 -12.512 1.00 0.00 H new ATOM 0 HE2 LYS A 86 92.618 12.237 -13.196 1.00 0.00 H new ATOM 0 HE3 LYS A 86 92.555 11.787 -11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 91.787 9.794 -12.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 90.442 10.489 -12.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 91.876 10.220 -13.722 1.00 0.00 H new ATOM 1363 N LYS A 87 87.298 12.331 -9.261 1.00 0.00 N ATOM 1364 CA LYS A 87 86.224 13.292 -9.021 1.00 0.00 C ATOM 1365 C LYS A 87 85.351 12.868 -7.843 1.00 0.00 C ATOM 1366 O LYS A 87 85.361 11.708 -7.429 1.00 0.00 O ATOM 1367 CB LYS A 87 85.358 13.426 -10.274 1.00 0.00 C ATOM 1368 CG LYS A 87 86.253 13.663 -11.493 1.00 0.00 C ATOM 1369 CD LYS A 87 85.391 13.776 -12.757 1.00 0.00 C ATOM 1370 CE LYS A 87 84.942 15.227 -12.951 1.00 0.00 C ATOM 1371 NZ LYS A 87 83.809 15.270 -13.919 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.114 11.666 -10.012 1.00 0.00 H new ATOM 0 HA LYS A 87 86.681 14.252 -8.781 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.764 12.523 -10.416 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.658 14.253 -10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 87 86.835 14.574 -11.356 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.964 12.843 -11.599 1.00 0.00 H new ATOM 0 HD2 LYS A 87 85.958 13.442 -13.626 1.00 0.00 H new ATOM 0 HD3 LYS A 87 84.521 13.124 -12.674 1.00 0.00 H new ATOM 0 HE2 LYS A 87 84.636 15.655 -11.997 1.00 0.00 H new ATOM 0 HE3 LYS A 87 85.772 15.830 -13.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 83.503 16.255 -14.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 84.117 14.877 -14.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 83.016 14.708 -13.550 1.00 0.00 H new ATOM 1385 N LYS A 88 84.591 13.819 -7.310 1.00 0.00 N ATOM 1386 CA LYS A 88 83.709 13.534 -6.186 1.00 0.00 C ATOM 1387 C LYS A 88 82.534 12.678 -6.639 1.00 0.00 C ATOM 1388 O LYS A 88 82.248 11.641 -6.045 1.00 0.00 O ATOM 1389 CB LYS A 88 83.189 14.836 -5.573 1.00 0.00 C ATOM 1390 CG LYS A 88 82.561 14.542 -4.207 1.00 0.00 C ATOM 1391 CD LYS A 88 82.034 15.843 -3.586 1.00 0.00 C ATOM 1392 CE LYS A 88 80.594 16.090 -4.043 1.00 0.00 C ATOM 1393 NZ LYS A 88 80.237 17.518 -3.813 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.568 14.785 -7.635 1.00 0.00 H new ATOM 0 HA LYS A 88 84.279 12.989 -5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 88 84.005 15.550 -5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.452 15.292 -6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.747 13.825 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.300 14.087 -3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 88 82.074 15.780 -2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 88 82.667 16.680 -3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.489 15.844 -5.100 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.911 15.441 -3.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 79.259 17.686 -4.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 80.321 17.738 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 80.882 18.129 -4.355 1.00 0.00 H new ATOM 1407 N THR A 89 81.855 13.117 -7.697 1.00 0.00 N ATOM 1408 CA THR A 89 80.713 12.372 -8.212 1.00 0.00 C ATOM 1409 C THR A 89 81.095 10.920 -8.458 1.00 0.00 C ATOM 1410 O THR A 89 80.251 10.029 -8.393 1.00 0.00 O ATOM 1411 CB THR A 89 80.212 12.988 -9.517 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.281 13.052 -10.451 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.678 14.396 -9.248 1.00 0.00 C ATOM 0 H THR A 89 82.073 13.973 -8.207 1.00 0.00 H new ATOM 0 HA THR A 89 79.919 12.417 -7.467 1.00 0.00 H new ATOM 0 HB THR A 89 79.411 12.372 -9.926 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.960 13.446 -11.289 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.321 14.834 -10.180 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.856 14.343 -8.534 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.476 15.016 -8.838 1.00 0.00 H new ATOM 1421 N GLU A 90 82.373 10.684 -8.725 1.00 0.00 N ATOM 1422 CA GLU A 90 82.842 9.327 -8.956 1.00 0.00 C ATOM 1423 C GLU A 90 82.716 8.540 -7.663 1.00 0.00 C ATOM 1424 O GLU A 90 82.332 7.372 -7.662 1.00 0.00 O ATOM 1425 CB GLU A 90 84.302 9.336 -9.422 1.00 0.00 C ATOM 1426 CG GLU A 90 84.372 9.736 -10.897 1.00 0.00 C ATOM 1427 CD GLU A 90 85.792 10.161 -11.256 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.689 9.870 -10.483 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.961 10.771 -12.299 1.00 0.00 O ATOM 0 H GLU A 90 83.093 11.404 -8.786 1.00 0.00 H new ATOM 0 HA GLU A 90 82.238 8.862 -9.735 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.882 10.034 -8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.744 8.350 -9.282 1.00 0.00 H new ATOM 0 HG2 GLU A 90 84.065 8.899 -11.524 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.678 10.553 -11.094 1.00 0.00 H new ATOM 1436 N ARG A 91 83.027 9.208 -6.556 1.00 0.00 N ATOM 1437 CA ARG A 91 82.931 8.588 -5.243 1.00 0.00 C ATOM 1438 C ARG A 91 81.470 8.476 -4.825 1.00 0.00 C ATOM 1439 O ARG A 91 81.008 7.406 -4.435 1.00 0.00 O ATOM 1440 CB ARG A 91 83.687 9.429 -4.213 1.00 0.00 C ATOM 1441 CG ARG A 91 85.150 9.570 -4.633 1.00 0.00 C ATOM 1442 CD ARG A 91 85.955 10.235 -3.506 1.00 0.00 C ATOM 1443 NE ARG A 91 86.494 11.512 -3.963 1.00 0.00 N ATOM 1444 CZ ARG A 91 86.943 12.419 -3.100 1.00 0.00 C ATOM 1445 NH1 ARG A 91 86.911 12.177 -1.818 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.417 13.554 -3.537 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.347 10.177 -6.544 1.00 0.00 H new ATOM 0 HA ARG A 91 83.371 7.592 -5.293 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.228 10.414 -4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.625 8.960 -3.231 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.568 8.590 -4.861 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.221 10.166 -5.543 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.317 10.391 -2.636 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.767 9.579 -3.193 1.00 0.00 H new ATOM 0 HE ARG A 91 86.527 11.713 -4.963 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.541 11.290 -1.475 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.256 12.874 -1.159 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.443 13.744 -4.539 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.762 14.251 -2.877 1.00 0.00 H new ATOM 1460 N GLU A 92 80.749 9.591 -4.907 1.00 0.00 N ATOM 1461 CA GLU A 92 79.341 9.604 -4.531 1.00 0.00 C ATOM 1462 C GLU A 92 78.573 8.550 -5.322 1.00 0.00 C ATOM 1463 O GLU A 92 77.894 7.700 -4.745 1.00 0.00 O ATOM 1464 CB GLU A 92 78.743 10.992 -4.795 1.00 0.00 C ATOM 1465 CG GLU A 92 77.587 11.255 -3.825 1.00 0.00 C ATOM 1466 CD GLU A 92 76.474 10.239 -4.053 1.00 0.00 C ATOM 1467 OE1 GLU A 92 76.545 9.170 -3.468 1.00 0.00 O1- ATOM 1468 OE2 GLU A 92 75.565 10.544 -4.807 1.00 0.00 O ATOM 0 H GLU A 92 81.113 10.488 -5.227 1.00 0.00 H new ATOM 0 HA GLU A 92 79.259 9.375 -3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.510 11.757 -4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.388 11.055 -5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 92 77.943 11.192 -2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.204 12.265 -3.969 1.00 0.00 H new ATOM 1475 N ASP A 93 78.694 8.602 -6.646 1.00 0.00 N ATOM 1476 CA ASP A 93 78.013 7.634 -7.498 1.00 0.00 C ATOM 1477 C ASP A 93 78.456 6.221 -7.135 1.00 0.00 C ATOM 1478 O ASP A 93 77.630 5.332 -6.927 1.00 0.00 O ATOM 1479 CB ASP A 93 78.339 7.910 -8.968 1.00 0.00 C ATOM 1480 CG ASP A 93 77.729 9.240 -9.394 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.045 9.843 -8.584 1.00 0.00 O ATOM 1482 OD2 ASP A 93 77.956 9.637 -10.525 1.00 0.00 O1- ATOM 0 H ASP A 93 79.250 9.295 -7.146 1.00 0.00 H new ATOM 0 HA ASP A 93 76.938 7.726 -7.345 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.419 7.933 -9.112 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.951 7.105 -9.593 1.00 0.00 H new ATOM 1487 N LEU A 94 79.767 6.028 -7.055 1.00 0.00 N ATOM 1488 CA LEU A 94 80.323 4.726 -6.709 1.00 0.00 C ATOM 1489 C LEU A 94 79.779 4.258 -5.370 1.00 0.00 C ATOM 1490 O LEU A 94 79.560 3.065 -5.157 1.00 0.00 O ATOM 1491 CB LEU A 94 81.847 4.819 -6.620 1.00 0.00 C ATOM 1492 CG LEU A 94 82.429 3.486 -6.150 1.00 0.00 C ATOM 1493 CD1 LEU A 94 81.952 2.364 -7.069 1.00 0.00 C ATOM 1494 CD2 LEU A 94 83.955 3.564 -6.184 1.00 0.00 C ATOM 0 H LEU A 94 80.463 6.754 -7.224 1.00 0.00 H new ATOM 0 HA LEU A 94 80.040 4.013 -7.484 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.260 5.082 -7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.131 5.612 -5.929 1.00 0.00 H new ATOM 0 HG LEU A 94 82.096 3.281 -5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.369 1.415 -6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.864 2.312 -7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.283 2.563 -8.088 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.375 2.616 -5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.286 3.769 -7.202 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.293 4.363 -5.525 1.00 0.00 H new ATOM 1506 N ILE A 95 79.579 5.205 -4.465 1.00 0.00 N ATOM 1507 CA ILE A 95 79.078 4.881 -3.143 1.00 0.00 C ATOM 1508 C ILE A 95 77.581 4.609 -3.192 1.00 0.00 C ATOM 1509 O ILE A 95 77.055 3.838 -2.390 1.00 0.00 O ATOM 1510 CB ILE A 95 79.401 6.022 -2.169 1.00 0.00 C ATOM 1511 CG1 ILE A 95 80.877 5.902 -1.745 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.494 5.936 -0.932 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.512 7.288 -1.596 1.00 0.00 C ATOM 0 H ILE A 95 79.755 6.197 -4.623 1.00 0.00 H new ATOM 0 HA ILE A 95 79.569 3.975 -2.788 1.00 0.00 H new ATOM 0 HB ILE A 95 79.229 6.982 -2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 95 80.947 5.361 -0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.427 5.322 -2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.733 6.751 -0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.451 6.014 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.654 4.982 -0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.554 7.180 -1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.461 7.816 -2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 95 80.973 7.856 -0.837 1.00 0.00 H new ATOM 1525 N ALA A 96 76.905 5.225 -4.151 1.00 0.00 N ATOM 1526 CA ALA A 96 75.476 5.013 -4.302 1.00 0.00 C ATOM 1527 C ALA A 96 75.216 3.549 -4.634 1.00 0.00 C ATOM 1528 O ALA A 96 74.239 2.956 -4.171 1.00 0.00 O ATOM 1529 CB ALA A 96 74.930 5.906 -5.417 1.00 0.00 C ATOM 0 H ALA A 96 77.318 5.867 -4.827 1.00 0.00 H new ATOM 0 HA ALA A 96 74.972 5.268 -3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.858 5.741 -5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.113 6.951 -5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.429 5.663 -6.355 1.00 0.00 H new ATOM 1535 N TYR A 97 76.111 2.967 -5.428 1.00 0.00 N ATOM 1536 CA TYR A 97 75.981 1.566 -5.803 1.00 0.00 C ATOM 1537 C TYR A 97 76.413 0.674 -4.645 1.00 0.00 C ATOM 1538 O TYR A 97 75.724 -0.280 -4.301 1.00 0.00 O ATOM 1539 CB TYR A 97 76.836 1.259 -7.037 1.00 0.00 C ATOM 1540 CG TYR A 97 76.919 -0.239 -7.236 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.887 -0.919 -7.895 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.025 -0.948 -6.752 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.962 -2.306 -8.070 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.100 -2.335 -6.929 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.068 -3.014 -7.588 1.00 0.00 C ATOM 1546 OH TYR A 97 77.142 -4.380 -7.762 1.00 0.00 O ATOM 0 H TYR A 97 76.925 3.440 -5.820 1.00 0.00 H new ATOM 0 HA TYR A 97 74.936 1.368 -6.041 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.402 1.730 -7.919 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.836 1.676 -6.912 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.033 -0.373 -8.268 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.820 -0.425 -6.242 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.165 -2.830 -8.577 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.954 -2.881 -6.557 1.00 0.00 H new ATOM 0 HH TYR A 97 78.062 -4.632 -7.986 1.00 0.00 H new ATOM 1556 N LEU A 98 77.558 0.992 -4.045 1.00 0.00 N ATOM 1557 CA LEU A 98 78.058 0.208 -2.924 1.00 0.00 C ATOM 1558 C LEU A 98 76.987 0.099 -1.841 1.00 0.00 C ATOM 1559 O LEU A 98 77.008 -0.819 -1.026 1.00 0.00 O ATOM 1560 CB LEU A 98 79.316 0.864 -2.337 1.00 0.00 C ATOM 1561 CG LEU A 98 80.541 0.524 -3.204 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.624 1.589 -3.030 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.114 -0.829 -2.778 1.00 0.00 C ATOM 0 H LEU A 98 78.149 1.778 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 98 78.309 -0.790 -3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.183 1.945 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.475 0.516 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 98 80.228 0.488 -4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.485 1.337 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.232 2.560 -3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.928 1.631 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.981 -1.067 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.414 -0.784 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.356 -1.602 -2.905 1.00 0.00 H new ATOM 1575 N LYS A 99 76.052 1.046 -1.838 1.00 0.00 N ATOM 1576 CA LYS A 99 74.978 1.045 -0.848 1.00 0.00 C ATOM 1577 C LYS A 99 73.877 0.067 -1.247 1.00 0.00 C ATOM 1578 O LYS A 99 73.475 -0.784 -0.454 1.00 0.00 O ATOM 1579 CB LYS A 99 74.387 2.456 -0.711 1.00 0.00 C ATOM 1580 CG LYS A 99 75.245 3.292 0.246 1.00 0.00 C ATOM 1581 CD LYS A 99 74.515 4.597 0.583 1.00 0.00 C ATOM 1582 CE LYS A 99 74.482 5.505 -0.649 1.00 0.00 C ATOM 1583 NZ LYS A 99 74.132 6.893 -0.232 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.016 1.818 -2.504 1.00 0.00 H new ATOM 0 HA LYS A 99 75.396 0.732 0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.343 2.937 -1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.364 2.397 -0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.445 2.729 1.158 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.210 3.511 -0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.499 4.381 0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 99 75.018 5.104 1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 99 75.452 5.497 -1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.751 5.134 -1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 73.828 7.439 -1.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.359 6.862 0.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 74.964 7.347 0.196 1.00 0.00 H new ATOM 1597 N LYS A 100 73.388 0.199 -2.474 1.00 0.00 N ATOM 1598 CA LYS A 100 72.326 -0.676 -2.962 1.00 0.00 C ATOM 1599 C LYS A 100 72.863 -2.076 -3.245 1.00 0.00 C ATOM 1600 O LYS A 100 72.103 -3.040 -3.322 1.00 0.00 O ATOM 1601 CB LYS A 100 71.715 -0.093 -4.237 1.00 0.00 C ATOM 1602 CG LYS A 100 71.062 1.256 -3.919 1.00 0.00 C ATOM 1603 CD LYS A 100 70.156 1.673 -5.079 1.00 0.00 C ATOM 1604 CE LYS A 100 69.531 3.037 -4.775 1.00 0.00 C ATOM 1605 NZ LYS A 100 68.746 2.953 -3.511 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.706 0.897 -3.146 1.00 0.00 H new ATOM 0 HA LYS A 100 71.560 -0.747 -2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.486 0.034 -4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 100 70.974 -0.780 -4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.482 1.183 -2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 100 71.829 2.013 -3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 100 70.731 1.723 -6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 100 69.374 0.928 -5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 100 70.310 3.793 -4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 100 68.885 3.344 -5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 68.051 3.726 -3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 68.250 2.040 -3.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 69.389 3.034 -2.697 1.00 0.00 H new ATOM 1619 N ALA A 101 74.179 -2.177 -3.395 1.00 0.00 N ATOM 1620 CA ALA A 101 74.816 -3.462 -3.667 1.00 0.00 C ATOM 1621 C ALA A 101 75.111 -4.197 -2.368 1.00 0.00 C ATOM 1622 O ALA A 101 75.066 -5.427 -2.315 1.00 0.00 O ATOM 1623 CB ALA A 101 76.117 -3.246 -4.441 1.00 0.00 C ATOM 0 H ALA A 101 74.824 -1.389 -3.333 1.00 0.00 H new ATOM 0 HA ALA A 101 74.134 -4.066 -4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.586 -4.209 -4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.900 -2.746 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.793 -2.628 -3.850 1.00 0.00 H new ATOM 1629 N THR A 102 75.411 -3.437 -1.319 1.00 0.00 N ATOM 1630 CA THR A 102 75.710 -4.033 -0.021 1.00 0.00 C ATOM 1631 C THR A 102 74.435 -4.159 0.799 1.00 0.00 C ATOM 1632 O THR A 102 74.418 -4.788 1.857 1.00 0.00 O ATOM 1633 CB THR A 102 76.724 -3.173 0.731 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.209 -1.858 0.886 1.00 0.00 O ATOM 1635 CG2 THR A 102 78.030 -3.128 -0.061 1.00 0.00 C ATOM 0 H THR A 102 75.453 -2.418 -1.341 1.00 0.00 H new ATOM 0 HA THR A 102 76.133 -5.025 -0.179 1.00 0.00 H new ATOM 0 HB THR A 102 76.911 -3.601 1.716 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.243 -1.390 0.026 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.757 -2.515 0.471 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.421 -4.139 -0.175 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.844 -2.698 -1.045 1.00 0.00 H new ATOM 1643 N ASN A 103 73.368 -3.555 0.291 1.00 0.00 N ATOM 1644 CA ASN A 103 72.077 -3.596 0.962 1.00 0.00 C ATOM 1645 C ASN A 103 71.205 -4.682 0.347 1.00 0.00 C ATOM 1646 O ASN A 103 70.292 -5.201 0.989 1.00 0.00 O ATOM 1647 CB ASN A 103 71.383 -2.242 0.827 1.00 0.00 C ATOM 1648 CG ASN A 103 72.056 -1.217 1.729 1.00 0.00 C ATOM 1649 OD1 ASN A 103 71.411 -0.277 2.192 1.00 0.00 O ATOM 1650 ND2 ASN A 103 73.322 -1.342 2.007 1.00 0.00 N ATOM 0 H ASN A 103 73.372 -3.031 -0.584 1.00 0.00 H new ATOM 0 HA ASN A 103 72.232 -3.819 2.018 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.421 -1.907 -0.209 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.330 -2.336 1.093 1.00 0.00 H new ATOM 0 HD21 ASN A 103 73.782 -0.660 2.610 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.854 -2.122 1.622 1.00 0.00 H new ATOM 1657 N GLU A 104 71.505 -5.021 -0.906 1.00 0.00 N ATOM 1658 CA GLU A 104 70.758 -6.051 -1.624 1.00 0.00 C ATOM 1659 C GLU A 104 69.301 -6.092 -1.171 1.00 0.00 C ATOM 1660 O GLU A 104 68.544 -5.237 -1.601 1.00 0.00 O ATOM 1661 CB GLU A 104 71.407 -7.419 -1.395 1.00 0.00 C ATOM 1662 CG GLU A 104 72.899 -7.347 -1.748 1.00 0.00 C ATOM 1663 CD GLU A 104 73.709 -6.906 -0.533 1.00 0.00 C ATOM 1664 OE1 GLU A 104 73.106 -6.447 0.423 1.00 0.00 O ATOM 1665 OE2 GLU A 104 74.922 -7.033 -0.576 1.00 0.00 O1- ATOM 1666 OXT GLU A 104 68.965 -6.978 -0.402 1.00 0.00 O ATOM 0 H GLU A 104 72.260 -4.597 -1.444 1.00 0.00 H new ATOM 0 HA GLU A 104 70.780 -5.807 -2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 104 71.283 -7.722 -0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 104 70.914 -8.174 -2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 104 73.246 -8.322 -2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 104 73.052 -6.647 -2.569 1.00 0.00 H new