USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 728 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: D 71 THR OG1 : rot 26:sc= 1.22 USER MOD Set 1.2: D 74 ASN : amide:sc= 0.851 X(o=2.1,f=1.7) USER MOD Set 2.1: D 53 ASN :FLIP amide:sc=-0.00851 F(o=-3.9!,f=-1.1) USER MOD Set 2.2: D 67 ASN : amide:sc= -0.0287 K(o=-1.1,f=-3.8!) USER MOD Set 2.3: D 70 SER OG : rot 180:sc= -1.03 USER MOD Set 3.1: D 62 LYS NZ :NH3+ 155:sc= 0.992 (180deg=-0.82) USER MOD Set 3.2: D 65 THR OG1 : rot 166:sc= 1.07 USER MOD Single : D 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 2 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.4) USER MOD Single : D 3 GLN : amide:sc= -0.761 K(o=-0.76,f=-2.9!) USER MOD Single : D 4 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.11) USER MOD Single : D 9 GLN :FLIP amide:sc= -0.202 F(o=-2.5!,f=-0.2) USER MOD Single : D 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 11 ASN : amide:sc= 0.143 K(o=0.14,f=-2.7!) USER MOD Single : D 12 SER OG : rot 160:sc= 0 USER MOD Single : D 14 ASN : amide:sc= 0.421 X(o=0.42,f=-0.00046) USER MOD Single : D 15 SER OG : rot -49:sc= 0.751 USER MOD Single : D 17 ASN : amide:sc= -3.86! C(o=-3.9!,f=-11!) USER MOD Single : D 19 LYS NZ :NH3+ -116:sc= 0.161 (180deg=-0.478) USER MOD Single : D 21 ASN : amide:sc= -4.82! C(o=-4.8!,f=-6.8!) USER MOD Single : D 22 LYS NZ :NH3+ -143:sc= 1.27 (180deg=0.515) USER MOD Single : D 24 LYS NZ :NH3+ 175:sc= 0.955 (180deg=0.71) USER MOD Single : D 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 28 SER OG : rot 180:sc= 0 USER MOD Single : D 30 SER OG : rot 180:sc= 0 USER MOD Single : D 31 MET CE :methyl 174:sc= -0.506 (180deg=-0.708) USER MOD Single : D 32 ASN :FLIP amide:sc= -0.0609 F(o=-1.8,f=-0.061) USER MOD Single : D 34 ASN :FLIP amide:sc= 0 F(o=-2.2,f=0) USER MOD Single : D 35 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.13) USER MOD Single : D 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 39 THR OG1 : rot 180:sc= -2.52! USER MOD Single : D 40 SER OG : rot 164:sc= -1.15 USER MOD Single : D 41 SER OG : rot 180:sc=-0.00134 USER MOD Single : D 42 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.021) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 21:sc= 0.506 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ 152:sc= -9.64! (180deg=-10.1!) USER MOD Single : D 59 ASN : amide:sc= -3.18! C(o=-3.2!,f=-11!) USER MOD Single : D 64 TYR OH : rot 180:sc= -1.35 USER MOD Single : D 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 76 SER OG : rot -140:sc= -0.06 USER MOD Single : D 77 ASN :FLIP amide:sc= -0.33 F(o=-1.9!,f=-0.33) USER MOD Single : D 80 ASN :FLIP amide:sc= -0.0395 F(o=-2!,f=-0.04) USER MOD Single : D 81 LYS NZ :NH3+ -170:sc= -0.0245 (180deg=-0.166) USER MOD Single : D 83 ASN :FLIP amide:sc= -0.244 F(o=-3.3,f=-0.24) USER MOD Single : D 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 88 TYR OH : rot 180:sc= 0 USER MOD Single : D 92 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0966) USER MOD Single : D 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP D 1 20.557 5.645 -10.141 1.00 0.00 N ATOM 2 CA ASP D 1 19.664 6.481 -9.305 1.00 0.00 C ATOM 3 C ASP D 1 19.819 6.112 -7.835 1.00 0.00 C ATOM 4 O ASP D 1 19.766 4.937 -7.467 1.00 0.00 O ATOM 5 CB ASP D 1 18.216 6.274 -9.774 1.00 0.00 C ATOM 6 CG ASP D 1 17.211 7.113 -9.012 1.00 0.00 C ATOM 7 OD1 ASP D 1 17.064 6.919 -7.791 1.00 0.00 O ATOM 8 OD2 ASP D 1 16.558 7.966 -9.642 1.00 0.00 O1- ATOM 0 H1 ASP D 1 20.442 5.907 -11.141 1.00 0.00 H new ATOM 0 H2 ASP D 1 21.545 5.799 -9.855 1.00 0.00 H new ATOM 0 H3 ASP D 1 20.312 4.642 -10.015 1.00 0.00 H new ATOM 0 HA ASP D 1 19.930 7.533 -9.411 1.00 0.00 H new ATOM 0 HB2 ASP D 1 18.148 6.514 -10.835 1.00 0.00 H new ATOM 0 HB3 ASP D 1 17.954 5.221 -9.667 1.00 0.00 H new ATOM 13 N ASN D 2 20.046 7.119 -7.005 1.00 0.00 N ATOM 14 CA ASN D 2 20.246 6.914 -5.576 1.00 0.00 C ATOM 15 C ASN D 2 19.180 7.682 -4.796 1.00 0.00 C ATOM 16 O ASN D 2 19.325 7.963 -3.607 1.00 0.00 O ATOM 17 CB ASN D 2 21.656 7.382 -5.182 1.00 0.00 C ATOM 18 CG ASN D 2 22.002 7.085 -3.736 1.00 0.00 C ATOM 19 OD1 ASN D 2 22.013 5.929 -3.314 1.00 0.00 O ATOM 20 ND2 ASN D 2 22.292 8.126 -2.968 1.00 0.00 N ATOM 0 H ASN D 2 20.097 8.094 -7.299 1.00 0.00 H new ATOM 0 HA ASN D 2 20.154 5.854 -5.337 1.00 0.00 H new ATOM 0 HB2 ASN D 2 22.387 6.898 -5.830 1.00 0.00 H new ATOM 0 HB3 ASN D 2 21.737 8.455 -5.355 1.00 0.00 H new ATOM 0 HD21 ASN D 2 22.536 7.984 -1.988 1.00 0.00 H new ATOM 0 HD22 ASN D 2 22.271 9.069 -3.357 1.00 0.00 H new ATOM 27 N GLN D 3 18.120 8.059 -5.498 1.00 0.00 N ATOM 28 CA GLN D 3 17.045 8.844 -4.906 1.00 0.00 C ATOM 29 C GLN D 3 15.920 7.956 -4.396 1.00 0.00 C ATOM 30 O GLN D 3 15.142 8.362 -3.536 1.00 0.00 O ATOM 31 CB GLN D 3 16.490 9.829 -5.932 1.00 0.00 C ATOM 32 CG GLN D 3 17.515 10.817 -6.462 1.00 0.00 C ATOM 33 CD GLN D 3 18.087 11.705 -5.378 1.00 0.00 C ATOM 34 OE1 GLN D 3 18.736 11.234 -4.443 1.00 0.00 O ATOM 35 NE2 GLN D 3 17.836 12.997 -5.488 1.00 0.00 N ATOM 0 H GLN D 3 17.981 7.833 -6.483 1.00 0.00 H new ATOM 0 HA GLN D 3 17.461 9.388 -4.058 1.00 0.00 H new ATOM 0 HB2 GLN D 3 16.075 9.269 -6.770 1.00 0.00 H new ATOM 0 HB3 GLN D 3 15.667 10.383 -5.480 1.00 0.00 H new ATOM 0 HG2 GLN D 3 18.326 10.270 -6.943 1.00 0.00 H new ATOM 0 HG3 GLN D 3 17.052 11.439 -7.228 1.00 0.00 H new ATOM 0 HE21 GLN D 3 17.294 13.346 -6.279 1.00 0.00 H new ATOM 0 HE22 GLN D 3 18.184 13.646 -4.782 1.00 0.00 H new ATOM 44 N LYS D 4 15.821 6.752 -4.940 1.00 0.00 N ATOM 45 CA LYS D 4 14.767 5.836 -4.544 1.00 0.00 C ATOM 46 C LYS D 4 15.377 4.695 -3.743 1.00 0.00 C ATOM 47 O LYS D 4 14.720 3.700 -3.428 1.00 0.00 O ATOM 48 CB LYS D 4 14.033 5.326 -5.792 1.00 0.00 C ATOM 49 CG LYS D 4 12.783 4.503 -5.507 1.00 0.00 C ATOM 50 CD LYS D 4 12.091 4.095 -6.797 1.00 0.00 C ATOM 51 CE LYS D 4 11.640 5.312 -7.595 1.00 0.00 C ATOM 52 NZ LYS D 4 11.040 4.936 -8.902 1.00 0.00 N1+ ATOM 0 H LYS D 4 16.455 6.390 -5.653 1.00 0.00 H new ATOM 0 HA LYS D 4 14.037 6.344 -3.914 1.00 0.00 H new ATOM 0 HB2 LYS D 4 13.755 6.181 -6.408 1.00 0.00 H new ATOM 0 HB3 LYS D 4 14.723 4.721 -6.380 1.00 0.00 H new ATOM 0 HG2 LYS D 4 13.052 3.613 -4.938 1.00 0.00 H new ATOM 0 HG3 LYS D 4 12.096 5.081 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS D 4 12.770 3.493 -7.401 1.00 0.00 H new ATOM 0 HD3 LYS D 4 11.229 3.469 -6.567 1.00 0.00 H new ATOM 0 HE2 LYS D 4 10.912 5.877 -7.012 1.00 0.00 H new ATOM 0 HE3 LYS D 4 12.493 5.970 -7.764 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 10.810 5.797 -9.439 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 11.718 4.361 -9.443 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 10.172 4.387 -8.740 1.00 0.00 H new ATOM 66 N ALA D 5 16.646 4.872 -3.393 1.00 0.00 N ATOM 67 CA ALA D 5 17.364 3.890 -2.608 1.00 0.00 C ATOM 68 C ALA D 5 16.801 3.813 -1.195 1.00 0.00 C ATOM 69 O ALA D 5 16.372 2.750 -0.744 1.00 0.00 O ATOM 70 CB ALA D 5 18.851 4.214 -2.573 1.00 0.00 C ATOM 0 H ALA D 5 17.196 5.693 -3.645 1.00 0.00 H new ATOM 0 HA ALA D 5 17.235 2.917 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA D 5 19.373 3.464 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA D 5 19.248 4.212 -3.588 1.00 0.00 H new ATOM 0 HB3 ALA D 5 18.999 5.198 -2.127 1.00 0.00 H new ATOM 76 N LEU D 6 16.769 4.953 -0.513 1.00 0.00 N ATOM 77 CA LEU D 6 16.217 5.029 0.837 1.00 0.00 C ATOM 78 C LEU D 6 14.902 5.804 0.838 1.00 0.00 C ATOM 79 O LEU D 6 14.442 6.280 1.879 1.00 0.00 O ATOM 80 CB LEU D 6 17.222 5.685 1.786 1.00 0.00 C ATOM 81 CG LEU D 6 18.554 4.940 1.922 1.00 0.00 C ATOM 82 CD1 LEU D 6 19.488 5.684 2.858 1.00 0.00 C ATOM 83 CD2 LEU D 6 18.326 3.522 2.426 1.00 0.00 C ATOM 0 H LEU D 6 17.120 5.840 -0.874 1.00 0.00 H new ATOM 0 HA LEU D 6 16.018 4.015 1.185 1.00 0.00 H new ATOM 0 HB2 LEU D 6 17.422 6.698 1.438 1.00 0.00 H new ATOM 0 HB3 LEU D 6 16.767 5.771 2.773 1.00 0.00 H new ATOM 0 HG LEU D 6 19.017 4.888 0.936 1.00 0.00 H new ATOM 0 HD11 LEU D 6 20.429 5.140 2.942 1.00 0.00 H new ATOM 0 HD12 LEU D 6 19.680 6.682 2.463 1.00 0.00 H new ATOM 0 HD13 LEU D 6 19.027 5.766 3.842 1.00 0.00 H new ATOM 0 HD21 LEU D 6 19.284 3.009 2.516 1.00 0.00 H new ATOM 0 HD22 LEU D 6 17.840 3.556 3.401 1.00 0.00 H new ATOM 0 HD23 LEU D 6 17.691 2.984 1.723 1.00 0.00 H new ATOM 95 N GLU D 7 14.302 5.905 -0.341 1.00 0.00 N ATOM 96 CA GLU D 7 13.030 6.598 -0.522 1.00 0.00 C ATOM 97 C GLU D 7 11.913 5.870 0.222 1.00 0.00 C ATOM 98 O GLU D 7 11.006 6.500 0.775 1.00 0.00 O ATOM 99 CB GLU D 7 12.737 6.696 -2.034 1.00 0.00 C ATOM 100 CG GLU D 7 11.463 7.438 -2.441 1.00 0.00 C ATOM 101 CD GLU D 7 10.190 6.668 -2.170 1.00 0.00 C ATOM 102 OE1 GLU D 7 10.072 5.526 -2.660 1.00 0.00 O ATOM 103 OE2 GLU D 7 9.289 7.215 -1.508 1.00 0.00 O1- ATOM 0 H GLU D 7 14.683 5.509 -1.200 1.00 0.00 H new ATOM 0 HA GLU D 7 13.087 7.603 -0.105 1.00 0.00 H new ATOM 0 HB2 GLU D 7 13.584 7.187 -2.513 1.00 0.00 H new ATOM 0 HB3 GLU D 7 12.685 5.684 -2.437 1.00 0.00 H new ATOM 0 HG2 GLU D 7 11.422 8.388 -1.908 1.00 0.00 H new ATOM 0 HG3 GLU D 7 11.515 7.672 -3.504 1.00 0.00 H new ATOM 110 N GLU D 8 11.986 4.539 0.237 1.00 0.00 N ATOM 111 CA GLU D 8 10.983 3.725 0.899 1.00 0.00 C ATOM 112 C GLU D 8 10.935 4.025 2.392 1.00 0.00 C ATOM 113 O GLU D 8 9.913 3.821 3.043 1.00 0.00 O ATOM 114 CB GLU D 8 11.274 2.241 0.667 1.00 0.00 C ATOM 115 CG GLU D 8 11.375 1.858 -0.804 1.00 0.00 C ATOM 116 CD GLU D 8 11.682 0.392 -1.007 1.00 0.00 C ATOM 117 OE1 GLU D 8 11.845 -0.027 -2.166 1.00 0.00 O ATOM 118 OE2 GLU D 8 11.761 -0.345 -0.005 1.00 0.00 O1- ATOM 0 H GLU D 8 12.735 4.006 -0.205 1.00 0.00 H new ATOM 0 HA GLU D 8 10.010 3.968 0.473 1.00 0.00 H new ATOM 0 HB2 GLU D 8 12.208 1.981 1.166 1.00 0.00 H new ATOM 0 HB3 GLU D 8 10.487 1.648 1.134 1.00 0.00 H new ATOM 0 HG2 GLU D 8 10.437 2.101 -1.303 1.00 0.00 H new ATOM 0 HG3 GLU D 8 12.153 2.457 -1.278 1.00 0.00 H new ATOM 125 N GLN D 9 12.063 4.450 2.946 1.00 0.00 N ATOM 126 CA GLN D 9 12.152 4.688 4.378 1.00 0.00 C ATOM 127 C GLN D 9 11.865 6.148 4.715 1.00 0.00 C ATOM 128 O GLN D 9 12.080 6.576 5.852 1.00 0.00 O ATOM 129 CB GLN D 9 13.547 4.320 4.894 1.00 0.00 C ATOM 130 CG GLN D 9 14.066 2.994 4.361 1.00 0.00 C ATOM 131 CD GLN D 9 13.094 1.853 4.563 1.00 0.00 C ATOM 132 OE1 GLN D 9 12.604 1.312 3.457 1.00 0.00 O flip ATOM 133 NE2 GLN D 9 12.766 1.482 5.693 1.00 0.00 N flip ATOM 0 H GLN D 9 12.922 4.635 2.429 1.00 0.00 H new ATOM 0 HA GLN D 9 11.403 4.061 4.862 1.00 0.00 H new ATOM 0 HB2 GLN D 9 14.246 5.110 4.620 1.00 0.00 H new ATOM 0 HB3 GLN D 9 13.523 4.279 5.983 1.00 0.00 H new ATOM 0 HG2 GLN D 9 14.282 3.096 3.297 1.00 0.00 H new ATOM 0 HG3 GLN D 9 15.007 2.754 4.855 1.00 0.00 H new ATOM 0 HE21 GLN D 9 13.172 1.930 6.515 1.00 0.00 H new ATOM 0 HE22 GLN D 9 12.089 0.727 5.806 1.00 0.00 H new ATOM 142 N MET D 10 11.458 6.937 3.727 1.00 0.00 N ATOM 143 CA MET D 10 11.250 8.363 3.962 1.00 0.00 C ATOM 144 C MET D 10 9.764 8.708 4.008 1.00 0.00 C ATOM 145 O MET D 10 9.174 8.807 5.083 1.00 0.00 O ATOM 146 CB MET D 10 11.957 9.186 2.878 1.00 0.00 C ATOM 147 CG MET D 10 11.850 10.689 3.084 1.00 0.00 C ATOM 148 SD MET D 10 12.552 11.220 4.658 1.00 0.00 S ATOM 149 CE MET D 10 12.260 12.986 4.584 1.00 0.00 C ATOM 0 H MET D 10 11.269 6.624 2.775 1.00 0.00 H new ATOM 0 HA MET D 10 11.679 8.611 4.933 1.00 0.00 H new ATOM 0 HB2 MET D 10 13.010 8.906 2.851 1.00 0.00 H new ATOM 0 HB3 MET D 10 11.534 8.930 1.906 1.00 0.00 H new ATOM 0 HG2 MET D 10 12.362 11.202 2.270 1.00 0.00 H new ATOM 0 HG3 MET D 10 10.802 10.985 3.038 1.00 0.00 H new ATOM 0 HE1 MET D 10 12.641 13.456 5.491 1.00 0.00 H new ATOM 0 HE2 MET D 10 12.772 13.403 3.717 1.00 0.00 H new ATOM 0 HE3 MET D 10 11.190 13.175 4.499 1.00 0.00 H new ATOM 159 N ASN D 11 9.148 8.801 2.840 1.00 0.00 N ATOM 160 CA ASN D 11 7.712 9.034 2.745 1.00 0.00 C ATOM 161 C ASN D 11 6.992 7.774 2.390 1.00 0.00 C ATOM 162 O ASN D 11 5.826 7.616 2.706 1.00 0.00 O ATOM 163 CB ASN D 11 7.362 10.081 1.692 1.00 0.00 C ATOM 164 CG ASN D 11 8.087 9.884 0.374 1.00 0.00 C ATOM 165 OD1 ASN D 11 9.318 9.910 0.314 1.00 0.00 O ATOM 166 ND2 ASN D 11 7.326 9.694 -0.692 1.00 0.00 N ATOM 0 H ASN D 11 9.621 8.719 1.940 1.00 0.00 H new ATOM 0 HA ASN D 11 7.401 9.394 3.726 1.00 0.00 H new ATOM 0 HB2 ASN D 11 6.287 10.058 1.513 1.00 0.00 H new ATOM 0 HB3 ASN D 11 7.599 11.070 2.083 1.00 0.00 H new ATOM 0 HD21 ASN D 11 7.755 9.562 -1.608 1.00 0.00 H new ATOM 0 HD22 ASN D 11 6.310 9.680 -0.598 1.00 0.00 H new ATOM 173 N SER D 12 7.629 7.030 1.520 1.00 0.00 N ATOM 174 CA SER D 12 7.018 5.918 0.834 1.00 0.00 C ATOM 175 C SER D 12 6.024 5.140 1.687 1.00 0.00 C ATOM 176 O SER D 12 4.847 5.053 1.363 1.00 0.00 O ATOM 177 CB SER D 12 8.125 4.981 0.386 1.00 0.00 C ATOM 178 OG SER D 12 7.612 3.808 -0.225 1.00 0.00 O ATOM 0 H SER D 12 8.604 7.183 1.264 1.00 0.00 H new ATOM 0 HA SER D 12 6.451 6.322 -0.005 1.00 0.00 H new ATOM 0 HB2 SER D 12 8.778 5.500 -0.316 1.00 0.00 H new ATOM 0 HB3 SER D 12 8.736 4.705 1.245 1.00 0.00 H new ATOM 0 HG SER D 12 8.310 3.393 -0.774 1.00 0.00 H new ATOM 184 N ILE D 13 6.559 4.452 2.676 1.00 0.00 N ATOM 185 CA ILE D 13 5.794 3.513 3.481 1.00 0.00 C ATOM 186 C ILE D 13 5.010 4.229 4.572 1.00 0.00 C ATOM 187 O ILE D 13 4.135 3.657 5.222 1.00 0.00 O ATOM 188 CB ILE D 13 6.762 2.486 4.080 1.00 0.00 C ATOM 189 CG1 ILE D 13 7.521 1.820 2.953 1.00 0.00 C ATOM 190 CG2 ILE D 13 6.048 1.444 4.932 1.00 0.00 C ATOM 191 CD1 ILE D 13 8.539 0.804 3.427 1.00 0.00 C ATOM 0 H ILE D 13 7.539 4.527 2.947 1.00 0.00 H new ATOM 0 HA ILE D 13 5.063 3.006 2.851 1.00 0.00 H new ATOM 0 HB ILE D 13 7.451 3.009 4.743 1.00 0.00 H new ATOM 0 HG12 ILE D 13 6.811 1.328 2.288 1.00 0.00 H new ATOM 0 HG13 ILE D 13 8.029 2.585 2.366 1.00 0.00 H new ATOM 0 HG21 ILE D 13 6.777 0.740 5.333 1.00 0.00 H new ATOM 0 HG22 ILE D 13 5.531 1.939 5.754 1.00 0.00 H new ATOM 0 HG23 ILE D 13 5.324 0.907 4.319 1.00 0.00 H new ATOM 0 HD11 ILE D 13 9.045 0.367 2.566 1.00 0.00 H new ATOM 0 HD12 ILE D 13 9.272 1.295 4.068 1.00 0.00 H new ATOM 0 HD13 ILE D 13 8.034 0.018 3.989 1.00 0.00 H new ATOM 203 N ASN D 14 5.274 5.505 4.717 1.00 0.00 N ATOM 204 CA ASN D 14 4.521 6.315 5.670 1.00 0.00 C ATOM 205 C ASN D 14 3.352 7.043 5.002 1.00 0.00 C ATOM 206 O ASN D 14 2.186 6.828 5.357 1.00 0.00 O ATOM 207 CB ASN D 14 5.417 7.320 6.390 1.00 0.00 C ATOM 208 CG ASN D 14 6.482 6.648 7.230 1.00 0.00 C ATOM 209 OD1 ASN D 14 6.176 5.866 8.128 1.00 0.00 O ATOM 210 ND2 ASN D 14 7.743 6.946 6.944 1.00 0.00 N ATOM 0 H ASN D 14 5.994 6.009 4.199 1.00 0.00 H new ATOM 0 HA ASN D 14 4.116 5.623 6.408 1.00 0.00 H new ATOM 0 HB2 ASN D 14 5.894 7.969 5.655 1.00 0.00 H new ATOM 0 HB3 ASN D 14 4.804 7.957 7.028 1.00 0.00 H new ATOM 0 HD21 ASN D 14 8.501 6.521 7.478 1.00 0.00 H new ATOM 0 HD22 ASN D 14 7.954 7.600 6.190 1.00 0.00 H new ATOM 217 N SER D 15 3.653 7.926 4.051 1.00 0.00 N ATOM 218 CA SER D 15 2.616 8.692 3.381 1.00 0.00 C ATOM 219 C SER D 15 1.748 7.802 2.508 1.00 0.00 C ATOM 220 O SER D 15 0.624 8.170 2.196 1.00 0.00 O ATOM 221 CB SER D 15 3.196 9.836 2.554 1.00 0.00 C ATOM 222 OG SER D 15 4.044 9.358 1.519 1.00 0.00 O ATOM 0 H SER D 15 4.601 8.124 3.732 1.00 0.00 H new ATOM 0 HA SER D 15 1.993 9.126 4.163 1.00 0.00 H new ATOM 0 HB2 SER D 15 2.384 10.419 2.119 1.00 0.00 H new ATOM 0 HB3 SER D 15 3.758 10.507 3.204 1.00 0.00 H new ATOM 0 HG SER D 15 4.678 8.709 1.889 1.00 0.00 H new ATOM 228 N VAL D 16 2.223 6.586 2.215 1.00 0.00 N ATOM 229 CA VAL D 16 1.412 5.604 1.500 1.00 0.00 C ATOM 230 C VAL D 16 0.077 5.437 2.199 1.00 0.00 C ATOM 231 O VAL D 16 -0.963 5.310 1.559 1.00 0.00 O ATOM 232 CB VAL D 16 2.110 4.219 1.427 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.396 3.681 2.808 1.00 0.00 C ATOM 234 CG2 VAL D 16 1.269 3.211 0.661 1.00 0.00 C ATOM 0 H VAL D 16 3.159 6.263 2.462 1.00 0.00 H new ATOM 0 HA VAL D 16 1.272 5.975 0.485 1.00 0.00 H new ATOM 0 HB VAL D 16 3.051 4.367 0.897 1.00 0.00 H new ATOM 0 HG11 VAL D 16 2.885 2.710 2.726 1.00 0.00 H new ATOM 0 HG12 VAL D 16 3.049 4.373 3.340 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.461 3.571 3.357 1.00 0.00 H new ATOM 0 HG21 VAL D 16 1.788 2.253 0.630 1.00 0.00 H new ATOM 0 HG22 VAL D 16 0.307 3.086 1.159 1.00 0.00 H new ATOM 0 HG23 VAL D 16 1.108 3.570 -0.356 1.00 0.00 H new ATOM 244 N ASN D 17 0.127 5.436 3.522 1.00 0.00 N ATOM 245 CA ASN D 17 -1.059 5.255 4.323 1.00 0.00 C ATOM 246 C ASN D 17 -1.883 6.520 4.333 1.00 0.00 C ATOM 247 O ASN D 17 -3.086 6.472 4.473 1.00 0.00 O ATOM 248 CB ASN D 17 -0.691 4.833 5.743 1.00 0.00 C ATOM 249 CG ASN D 17 0.089 3.536 5.747 1.00 0.00 C ATOM 250 OD1 ASN D 17 -0.325 2.558 5.136 1.00 0.00 O ATOM 251 ND2 ASN D 17 1.207 3.511 6.454 1.00 0.00 N ATOM 0 H ASN D 17 0.985 5.560 4.060 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.658 4.459 3.881 1.00 0.00 H new ATOM 0 HB2 ASN D 17 -0.099 5.617 6.216 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.598 4.716 6.336 1.00 0.00 H new ATOM 0 HD21 ASN D 17 1.759 2.655 6.505 1.00 0.00 H new ATOM 0 HD22 ASN D 17 1.517 4.348 6.948 1.00 0.00 H new ATOM 258 N ASP D 18 -1.233 7.647 4.127 1.00 0.00 N ATOM 259 CA ASP D 18 -1.931 8.930 4.056 1.00 0.00 C ATOM 260 C ASP D 18 -2.847 9.040 2.830 1.00 0.00 C ATOM 261 O ASP D 18 -3.778 9.845 2.834 1.00 0.00 O ATOM 262 CB ASP D 18 -0.921 10.081 4.019 1.00 0.00 C ATOM 263 CG ASP D 18 -0.128 10.215 5.297 1.00 0.00 C ATOM 264 OD1 ASP D 18 0.608 9.277 5.649 1.00 0.00 O ATOM 265 OD2 ASP D 18 -0.251 11.263 5.956 1.00 0.00 O1- ATOM 0 H ASP D 18 -0.222 7.709 4.005 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.553 8.993 4.949 1.00 0.00 H new ATOM 0 HB2 ASP D 18 -0.234 9.927 3.187 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -1.450 11.015 3.827 1.00 0.00 H new ATOM 270 N LYS D 19 -2.670 8.172 1.831 1.00 0.00 N ATOM 271 CA LYS D 19 -3.602 8.153 0.697 1.00 0.00 C ATOM 272 C LYS D 19 -4.683 7.163 0.981 1.00 0.00 C ATOM 273 O LYS D 19 -5.824 7.307 0.558 1.00 0.00 O ATOM 274 CB LYS D 19 -2.960 7.758 -0.636 1.00 0.00 C ATOM 275 CG LYS D 19 -1.944 8.758 -1.182 1.00 0.00 C ATOM 276 CD LYS D 19 -0.665 8.795 -0.382 1.00 0.00 C ATOM 277 CE LYS D 19 0.184 7.568 -0.641 1.00 0.00 C ATOM 278 NZ LYS D 19 0.650 7.500 -2.051 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.913 7.490 1.781 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.973 9.173 0.593 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -2.468 6.793 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -3.749 7.623 -1.376 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -1.712 8.504 -2.216 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -2.390 9.753 -1.190 1.00 0.00 H new ATOM 0 HD2 LYS D 19 -0.100 9.691 -0.638 1.00 0.00 H new ATOM 0 HD3 LYS D 19 -0.900 8.859 0.680 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.046 7.577 0.026 1.00 0.00 H new ATOM 0 HE3 LYS D 19 -0.392 6.673 -0.406 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 0.241 6.662 -2.512 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 0.348 8.356 -2.558 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 1.688 7.434 -2.071 1.00 0.00 H new ATOM 292 N LEU D 20 -4.259 6.101 1.613 1.00 0.00 N ATOM 293 CA LEU D 20 -5.109 4.984 1.890 1.00 0.00 C ATOM 294 C LEU D 20 -6.104 5.361 2.976 1.00 0.00 C ATOM 295 O LEU D 20 -7.280 5.015 2.932 1.00 0.00 O ATOM 296 CB LEU D 20 -4.231 3.844 2.368 1.00 0.00 C ATOM 297 CG LEU D 20 -3.123 3.434 1.397 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.235 2.365 2.007 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.714 2.950 0.086 1.00 0.00 C ATOM 0 H LEU D 20 -3.303 5.990 1.952 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.662 4.689 0.998 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.776 4.128 3.317 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -4.861 2.977 2.564 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.508 4.312 1.196 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.455 2.091 1.297 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.777 2.749 2.918 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -2.834 1.486 2.245 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -2.910 2.663 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.356 2.089 0.272 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -4.301 3.750 -0.366 1.00 0.00 H new ATOM 311 N ASN D 21 -5.584 6.075 3.957 1.00 0.00 N ATOM 312 CA ASN D 21 -6.344 6.537 5.101 1.00 0.00 C ATOM 313 C ASN D 21 -7.133 7.797 4.776 1.00 0.00 C ATOM 314 O ASN D 21 -6.580 8.897 4.831 1.00 0.00 O ATOM 315 CB ASN D 21 -5.390 6.822 6.265 1.00 0.00 C ATOM 316 CG ASN D 21 -4.917 5.561 6.960 1.00 0.00 C ATOM 317 OD1 ASN D 21 -5.721 4.753 7.414 1.00 0.00 O ATOM 318 ND2 ASN D 21 -3.610 5.396 7.069 1.00 0.00 N ATOM 0 H ASN D 21 -4.603 6.355 3.980 1.00 0.00 H new ATOM 0 HA ASN D 21 -7.052 5.755 5.375 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.526 7.373 5.894 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -5.890 7.465 6.989 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -3.238 4.574 7.544 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -2.974 6.091 6.678 1.00 0.00 H new ATOM 325 N LYS D 22 -8.402 7.661 4.393 1.00 0.00 N ATOM 326 CA LYS D 22 -9.169 8.852 4.020 1.00 0.00 C ATOM 327 C LYS D 22 -10.453 9.050 4.829 1.00 0.00 C ATOM 328 O LYS D 22 -10.770 10.178 5.207 1.00 0.00 O ATOM 329 CB LYS D 22 -9.462 8.845 2.522 1.00 0.00 C ATOM 330 CG LYS D 22 -8.190 8.837 1.690 1.00 0.00 C ATOM 331 CD LYS D 22 -8.460 8.924 0.201 1.00 0.00 C ATOM 332 CE LYS D 22 -9.094 10.254 -0.183 1.00 0.00 C ATOM 333 NZ LYS D 22 -9.238 10.405 -1.657 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.906 6.776 4.333 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.539 9.707 4.266 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -10.062 7.969 2.275 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -10.057 9.722 2.265 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -7.560 9.675 1.990 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.630 7.926 1.900 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -7.526 8.796 -0.346 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -9.118 8.108 -0.097 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -10.074 10.336 0.286 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -8.485 11.070 0.206 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -9.058 11.394 -1.924 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -8.554 9.786 -2.138 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -10.203 10.140 -1.940 1.00 0.00 H new ATOM 347 N GLY D 23 -11.207 7.986 5.081 1.00 0.00 N ATOM 348 CA GLY D 23 -12.439 8.143 5.815 1.00 0.00 C ATOM 349 C GLY D 23 -13.212 6.854 5.981 1.00 0.00 C ATOM 350 O GLY D 23 -12.966 6.104 6.923 1.00 0.00 O ATOM 0 H GLY D 23 -10.988 7.032 4.793 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -12.216 8.553 6.800 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -13.068 8.871 5.302 1.00 0.00 H new ATOM 354 N LYS D 24 -14.155 6.602 5.072 1.00 0.00 N ATOM 355 CA LYS D 24 -14.985 5.394 5.120 1.00 0.00 C ATOM 356 C LYS D 24 -14.111 4.162 5.163 1.00 0.00 C ATOM 357 O LYS D 24 -14.340 3.229 5.921 1.00 0.00 O ATOM 358 CB LYS D 24 -15.882 5.338 3.893 1.00 0.00 C ATOM 359 CG LYS D 24 -16.878 4.196 3.923 1.00 0.00 C ATOM 360 CD LYS D 24 -18.098 4.485 3.075 1.00 0.00 C ATOM 361 CE LYS D 24 -17.749 4.663 1.607 1.00 0.00 C ATOM 362 NZ LYS D 24 -17.005 3.498 1.068 1.00 0.00 N1+ ATOM 0 H LYS D 24 -14.365 7.221 4.289 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.600 5.425 6.019 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -16.424 6.280 3.806 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -15.260 5.244 3.002 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -16.396 3.285 3.567 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -17.187 4.011 4.952 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -18.813 3.669 3.180 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -18.588 5.387 3.442 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -18.664 4.807 1.032 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -17.149 5.565 1.484 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -16.860 3.621 0.045 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -16.082 3.426 1.542 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -17.550 2.629 1.238 1.00 0.00 H new ATOM 376 N GLY D 25 -13.099 4.196 4.342 1.00 0.00 N ATOM 377 CA GLY D 25 -12.158 3.126 4.267 1.00 0.00 C ATOM 378 C GLY D 25 -10.762 3.621 4.124 1.00 0.00 C ATOM 379 O GLY D 25 -10.519 4.692 3.566 1.00 0.00 O ATOM 0 H GLY D 25 -12.907 4.971 3.707 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.235 2.512 5.164 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.404 2.485 3.420 1.00 0.00 H new ATOM 383 N LYS D 26 -9.878 2.935 4.800 1.00 0.00 N ATOM 384 CA LYS D 26 -8.521 3.368 4.940 1.00 0.00 C ATOM 385 C LYS D 26 -7.605 2.177 5.031 1.00 0.00 C ATOM 386 O LYS D 26 -8.063 1.079 5.311 1.00 0.00 O ATOM 387 CB LYS D 26 -8.455 4.210 6.175 1.00 0.00 C ATOM 388 CG LYS D 26 -9.353 3.657 7.239 1.00 0.00 C ATOM 389 CD LYS D 26 -9.550 4.648 8.362 1.00 0.00 C ATOM 390 CE LYS D 26 -10.138 5.942 7.833 1.00 0.00 C ATOM 391 NZ LYS D 26 -10.556 6.851 8.932 1.00 0.00 N1+ ATOM 0 H LYS D 26 -10.085 2.054 5.271 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.197 3.950 4.077 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.429 4.248 6.541 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.748 5.233 5.940 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -10.319 3.400 6.805 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.926 2.736 7.635 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -10.211 4.223 9.117 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.596 4.848 8.850 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -9.402 6.445 7.206 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -10.997 5.718 7.200 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -10.952 7.724 8.529 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -11.277 6.381 9.516 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -9.732 7.085 9.521 1.00 0.00 H new ATOM 405 N LEU D 27 -6.336 2.377 4.756 1.00 0.00 N ATOM 406 CA LEU D 27 -5.389 1.284 4.764 1.00 0.00 C ATOM 407 C LEU D 27 -4.059 1.703 5.395 1.00 0.00 C ATOM 408 O LEU D 27 -3.660 2.864 5.314 1.00 0.00 O ATOM 409 CB LEU D 27 -5.198 0.777 3.350 1.00 0.00 C ATOM 410 CG LEU D 27 -4.063 -0.225 3.153 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.272 -1.476 3.994 1.00 0.00 C ATOM 412 CD2 LEU D 27 -3.928 -0.598 1.686 1.00 0.00 C ATOM 0 H LEU D 27 -5.935 3.286 4.524 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.785 0.475 5.378 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.128 0.314 3.021 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -5.020 1.632 2.698 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.141 0.254 3.483 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.446 -2.167 3.829 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.312 -1.203 5.049 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.208 -1.955 3.707 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.114 -1.313 1.566 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -4.859 -1.046 1.337 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.714 0.297 1.101 1.00 0.00 H new ATOM 424 N SER D 28 -3.396 0.754 6.035 1.00 0.00 N ATOM 425 CA SER D 28 -2.127 0.997 6.698 1.00 0.00 C ATOM 426 C SER D 28 -1.213 -0.196 6.463 1.00 0.00 C ATOM 427 O SER D 28 -1.687 -1.321 6.416 1.00 0.00 O ATOM 428 CB SER D 28 -2.346 1.178 8.201 1.00 0.00 C ATOM 429 OG SER D 28 -1.157 1.604 8.851 1.00 0.00 O ATOM 0 H SER D 28 -3.724 -0.209 6.109 1.00 0.00 H new ATOM 0 HA SER D 28 -1.675 1.903 6.294 1.00 0.00 H new ATOM 0 HB2 SER D 28 -3.136 1.909 8.369 1.00 0.00 H new ATOM 0 HB3 SER D 28 -2.684 0.238 8.637 1.00 0.00 H new ATOM 0 HG SER D 28 -1.329 1.712 9.810 1.00 0.00 H new ATOM 435 N LEU D 29 0.092 0.020 6.392 1.00 0.00 N ATOM 436 CA LEU D 29 1.010 -1.104 6.264 1.00 0.00 C ATOM 437 C LEU D 29 2.301 -0.930 7.058 1.00 0.00 C ATOM 438 O LEU D 29 2.818 0.179 7.211 1.00 0.00 O ATOM 439 CB LEU D 29 1.269 -1.456 4.806 1.00 0.00 C ATOM 440 CG LEU D 29 1.241 -0.266 3.900 1.00 0.00 C ATOM 441 CD1 LEU D 29 2.433 0.626 4.149 1.00 0.00 C ATOM 442 CD2 LEU D 29 1.146 -0.676 2.441 1.00 0.00 C ATOM 0 H LEU D 29 0.532 0.940 6.420 1.00 0.00 H new ATOM 0 HA LEU D 29 0.507 -1.957 6.720 1.00 0.00 H new ATOM 0 HB2 LEU D 29 2.240 -1.945 4.724 1.00 0.00 H new ATOM 0 HB3 LEU D 29 0.521 -2.175 4.474 1.00 0.00 H new ATOM 0 HG LEU D 29 0.342 0.306 4.129 1.00 0.00 H new ATOM 0 HD11 LEU D 29 2.391 1.485 3.479 1.00 0.00 H new ATOM 0 HD12 LEU D 29 2.419 0.972 5.183 1.00 0.00 H new ATOM 0 HD13 LEU D 29 3.350 0.067 3.966 1.00 0.00 H new ATOM 0 HD21 LEU D 29 1.128 0.215 1.813 1.00 0.00 H new ATOM 0 HD22 LEU D 29 2.009 -1.288 2.178 1.00 0.00 H new ATOM 0 HD23 LEU D 29 0.233 -1.250 2.283 1.00 0.00 H new ATOM 454 N SER D 30 2.790 -2.046 7.577 1.00 0.00 N ATOM 455 CA SER D 30 3.997 -2.095 8.387 1.00 0.00 C ATOM 456 C SER D 30 4.703 -3.433 8.163 1.00 0.00 C ATOM 457 O SER D 30 4.333 -4.191 7.264 1.00 0.00 O ATOM 458 CB SER D 30 3.651 -1.925 9.869 1.00 0.00 C ATOM 459 OG SER D 30 2.974 -0.698 10.108 1.00 0.00 O ATOM 0 H SER D 30 2.352 -2.958 7.445 1.00 0.00 H new ATOM 0 HA SER D 30 4.659 -1.281 8.092 1.00 0.00 H new ATOM 0 HB2 SER D 30 3.026 -2.756 10.196 1.00 0.00 H new ATOM 0 HB3 SER D 30 4.564 -1.960 10.463 1.00 0.00 H new ATOM 0 HG SER D 30 2.766 -0.620 11.062 1.00 0.00 H new ATOM 465 N MET D 31 5.719 -3.727 8.965 1.00 0.00 N ATOM 466 CA MET D 31 6.461 -4.975 8.821 1.00 0.00 C ATOM 467 C MET D 31 6.965 -5.496 10.157 1.00 0.00 C ATOM 468 O MET D 31 6.960 -4.785 11.162 1.00 0.00 O ATOM 469 CB MET D 31 7.613 -4.792 7.821 1.00 0.00 C ATOM 470 CG MET D 31 8.509 -3.586 8.093 1.00 0.00 C ATOM 471 SD MET D 31 9.497 -3.735 9.592 1.00 0.00 S ATOM 472 CE MET D 31 10.539 -5.123 9.164 1.00 0.00 C ATOM 0 H MET D 31 6.047 -3.123 9.718 1.00 0.00 H new ATOM 0 HA MET D 31 5.777 -5.729 8.431 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.227 -5.692 7.827 1.00 0.00 H new ATOM 0 HB3 MET D 31 7.195 -4.698 6.819 1.00 0.00 H new ATOM 0 HG2 MET D 31 9.176 -3.442 7.243 1.00 0.00 H new ATOM 0 HG3 MET D 31 7.888 -2.693 8.166 1.00 0.00 H new ATOM 0 HE1 MET D 31 11.282 -5.275 9.947 1.00 0.00 H new ATOM 0 HE2 MET D 31 9.928 -6.020 9.065 1.00 0.00 H new ATOM 0 HE3 MET D 31 11.043 -4.921 8.219 1.00 0.00 H new ATOM 482 N ASN D 32 7.398 -6.746 10.145 1.00 0.00 N ATOM 483 CA ASN D 32 7.919 -7.406 11.335 1.00 0.00 C ATOM 484 C ASN D 32 9.010 -8.380 10.917 1.00 0.00 C ATOM 485 O ASN D 32 8.719 -9.518 10.561 1.00 0.00 O ATOM 486 CB ASN D 32 6.796 -8.167 12.054 1.00 0.00 C ATOM 487 CG ASN D 32 7.222 -8.769 13.387 1.00 0.00 C ATOM 488 OD1 ASN D 32 8.430 -8.455 13.840 1.00 0.00 O flip ATOM 489 ND2 ASN D 32 6.452 -9.493 14.017 1.00 0.00 N flip ATOM 0 H ASN D 32 7.399 -7.333 9.311 1.00 0.00 H new ATOM 0 HA ASN D 32 8.326 -6.659 12.017 1.00 0.00 H new ATOM 0 HB2 ASN D 32 5.959 -7.489 12.222 1.00 0.00 H new ATOM 0 HB3 ASN D 32 6.435 -8.964 11.404 1.00 0.00 H new ATOM 0 HD21 ASN D 32 5.531 -9.712 13.636 1.00 0.00 H new ATOM 0 HD22 ASN D 32 6.734 -9.874 14.920 1.00 0.00 H new ATOM 496 N GLY D 33 10.243 -7.897 10.849 1.00 0.00 N ATOM 497 CA GLY D 33 11.328 -8.721 10.336 1.00 0.00 C ATOM 498 C GLY D 33 11.163 -9.001 8.855 1.00 0.00 C ATOM 499 O GLY D 33 11.393 -8.126 8.020 1.00 0.00 O ATOM 0 H GLY D 33 10.514 -6.957 11.137 1.00 0.00 H new ATOM 0 HA2 GLY D 33 12.280 -8.219 10.508 1.00 0.00 H new ATOM 0 HA3 GLY D 33 11.361 -9.663 10.884 1.00 0.00 H new ATOM 503 N ASN D 34 10.689 -10.195 8.527 1.00 0.00 N ATOM 504 CA ASN D 34 10.404 -10.560 7.141 1.00 0.00 C ATOM 505 C ASN D 34 8.900 -10.623 6.901 1.00 0.00 C ATOM 506 O ASN D 34 8.436 -11.256 5.950 1.00 0.00 O ATOM 507 CB ASN D 34 11.027 -11.917 6.793 1.00 0.00 C ATOM 508 CG ASN D 34 12.546 -11.923 6.822 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.156 -10.766 7.045 1.00 0.00 O flip ATOM 510 ND2 ASN D 34 13.171 -12.965 6.623 1.00 0.00 N flip ATOM 0 H ASN D 34 10.492 -10.932 9.204 1.00 0.00 H new ATOM 0 HA ASN D 34 10.841 -9.793 6.502 1.00 0.00 H new ATOM 0 HB2 ASN D 34 10.657 -12.666 7.493 1.00 0.00 H new ATOM 0 HB3 ASN D 34 10.691 -12.216 5.800 1.00 0.00 H new ATOM 0 HD21 ASN D 34 12.669 -13.837 6.455 1.00 0.00 H new ATOM 0 HD22 ASN D 34 14.191 -12.956 6.626 1.00 0.00 H new ATOM 517 N GLN D 35 8.134 -10.031 7.809 1.00 0.00 N ATOM 518 CA GLN D 35 6.681 -10.091 7.733 1.00 0.00 C ATOM 519 C GLN D 35 6.124 -8.815 7.128 1.00 0.00 C ATOM 520 O GLN D 35 6.716 -7.744 7.259 1.00 0.00 O ATOM 521 CB GLN D 35 6.082 -10.278 9.126 1.00 0.00 C ATOM 522 CG GLN D 35 4.593 -10.599 9.128 1.00 0.00 C ATOM 523 CD GLN D 35 4.269 -11.877 8.383 1.00 0.00 C ATOM 524 OE1 GLN D 35 4.772 -12.946 8.721 1.00 0.00 O ATOM 525 NE2 GLN D 35 3.419 -11.779 7.372 1.00 0.00 N ATOM 0 H GLN D 35 8.495 -9.505 8.605 1.00 0.00 H new ATOM 0 HA GLN D 35 6.414 -10.939 7.102 1.00 0.00 H new ATOM 0 HB2 GLN D 35 6.616 -11.081 9.634 1.00 0.00 H new ATOM 0 HB3 GLN D 35 6.247 -9.369 9.705 1.00 0.00 H new ATOM 0 HG2 GLN D 35 4.246 -10.686 10.158 1.00 0.00 H new ATOM 0 HG3 GLN D 35 4.047 -9.771 8.676 1.00 0.00 H new ATOM 0 HE21 GLN D 35 3.024 -10.872 7.124 1.00 0.00 H new ATOM 0 HE22 GLN D 35 3.159 -12.611 6.842 1.00 0.00 H new ATOM 534 N LEU D 36 4.929 -8.917 6.574 1.00 0.00 N ATOM 535 CA LEU D 36 4.215 -7.763 6.065 1.00 0.00 C ATOM 536 C LEU D 36 2.888 -7.625 6.786 1.00 0.00 C ATOM 537 O LEU D 36 2.287 -8.619 7.199 1.00 0.00 O ATOM 538 CB LEU D 36 4.072 -7.903 4.548 1.00 0.00 C ATOM 539 CG LEU D 36 3.237 -6.862 3.772 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.753 -7.068 3.999 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.610 -5.437 4.149 1.00 0.00 C ATOM 0 H LEU D 36 4.429 -9.799 6.465 1.00 0.00 H new ATOM 0 HA LEU D 36 4.765 -6.842 6.256 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.075 -7.902 4.122 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.642 -8.884 4.348 1.00 0.00 H new ATOM 0 HG LEU D 36 3.463 -7.011 2.716 1.00 0.00 H new ATOM 0 HD11 LEU D 36 1.192 -6.320 3.439 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.468 -8.064 3.660 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.530 -6.969 5.061 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.998 -4.738 3.579 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.437 -5.285 5.215 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.663 -5.265 3.924 1.00 0.00 H new ATOM 553 N LYS D 37 2.541 -6.386 7.084 1.00 0.00 N ATOM 554 CA LYS D 37 1.404 -6.081 7.928 1.00 0.00 C ATOM 555 C LYS D 37 0.544 -5.007 7.281 1.00 0.00 C ATOM 556 O LYS D 37 1.019 -3.907 7.050 1.00 0.00 O ATOM 557 CB LYS D 37 1.930 -5.554 9.258 1.00 0.00 C ATOM 558 CG LYS D 37 2.886 -6.507 9.950 1.00 0.00 C ATOM 559 CD LYS D 37 2.147 -7.681 10.568 1.00 0.00 C ATOM 560 CE LYS D 37 3.086 -8.562 11.367 1.00 0.00 C ATOM 561 NZ LYS D 37 2.366 -9.653 12.076 1.00 0.00 N1+ ATOM 0 H LYS D 37 3.041 -5.564 6.747 1.00 0.00 H new ATOM 0 HA LYS D 37 0.802 -6.978 8.073 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.436 -4.603 9.089 1.00 0.00 H new ATOM 0 HB3 LYS D 37 1.087 -5.353 9.919 1.00 0.00 H new ATOM 0 HG2 LYS D 37 3.620 -6.874 9.232 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.437 -5.973 10.724 1.00 0.00 H new ATOM 0 HD2 LYS D 37 1.351 -7.313 11.215 1.00 0.00 H new ATOM 0 HD3 LYS D 37 1.673 -8.269 9.783 1.00 0.00 H new ATOM 0 HE2 LYS D 37 3.831 -8.995 10.700 1.00 0.00 H new ATOM 0 HE3 LYS D 37 3.624 -7.952 12.093 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 3.048 -10.230 12.609 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 1.672 -9.242 12.733 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 1.874 -10.252 11.383 1.00 0.00 H new ATOM 575 N ALA D 38 -0.730 -5.276 7.071 1.00 0.00 N ATOM 576 CA ALA D 38 -1.623 -4.255 6.553 1.00 0.00 C ATOM 577 C ALA D 38 -2.887 -4.179 7.393 1.00 0.00 C ATOM 578 O ALA D 38 -3.455 -5.203 7.771 1.00 0.00 O ATOM 579 CB ALA D 38 -1.967 -4.530 5.104 1.00 0.00 C ATOM 0 H ALA D 38 -1.167 -6.181 7.248 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.112 -3.294 6.607 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.637 -3.753 4.735 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.054 -4.535 4.508 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.458 -5.500 5.024 1.00 0.00 H new ATOM 585 N THR D 39 -3.337 -2.965 7.653 1.00 0.00 N ATOM 586 CA THR D 39 -4.554 -2.741 8.413 1.00 0.00 C ATOM 587 C THR D 39 -5.448 -1.705 7.738 1.00 0.00 C ATOM 588 O THR D 39 -5.080 -0.547 7.587 1.00 0.00 O ATOM 589 CB THR D 39 -4.227 -2.308 9.838 1.00 0.00 C ATOM 590 OG1 THR D 39 -3.261 -1.269 9.845 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.715 -3.427 10.718 1.00 0.00 C ATOM 0 H THR D 39 -2.872 -2.111 7.345 1.00 0.00 H new ATOM 0 HA THR D 39 -5.098 -3.685 8.449 1.00 0.00 H new ATOM 0 HB THR D 39 -5.177 -1.964 10.248 1.00 0.00 H new ATOM 0 HG1 THR D 39 -3.069 -1.007 10.770 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.505 -3.039 11.715 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.469 -4.211 10.785 1.00 0.00 H new ATOM 0 HG23 THR D 39 -2.801 -3.838 10.289 1.00 0.00 H new ATOM 599 N SER D 40 -6.656 -2.116 7.434 1.00 0.00 N ATOM 600 CA SER D 40 -7.667 -1.231 6.876 1.00 0.00 C ATOM 601 C SER D 40 -8.732 -1.004 7.914 1.00 0.00 C ATOM 602 O SER D 40 -9.173 -1.942 8.574 1.00 0.00 O ATOM 603 CB SER D 40 -8.256 -1.856 5.639 1.00 0.00 C ATOM 604 OG SER D 40 -7.223 -2.126 4.715 1.00 0.00 O ATOM 0 H SER D 40 -6.973 -3.077 7.565 1.00 0.00 H new ATOM 0 HA SER D 40 -7.224 -0.274 6.600 1.00 0.00 H new ATOM 0 HB2 SER D 40 -8.779 -2.777 5.897 1.00 0.00 H new ATOM 0 HB3 SER D 40 -8.992 -1.186 5.194 1.00 0.00 H new ATOM 0 HG SER D 40 -7.548 -2.752 4.035 1.00 0.00 H new ATOM 610 N SER D 41 -9.058 0.241 8.150 1.00 0.00 N ATOM 611 CA SER D 41 -9.974 0.544 9.234 1.00 0.00 C ATOM 612 C SER D 41 -11.396 0.677 8.712 1.00 0.00 C ATOM 613 O SER D 41 -11.607 0.838 7.498 1.00 0.00 O ATOM 614 CB SER D 41 -9.533 1.802 9.987 1.00 0.00 C ATOM 615 OG SER D 41 -10.389 2.086 11.081 1.00 0.00 O ATOM 0 H SER D 41 -8.717 1.046 7.625 1.00 0.00 H new ATOM 0 HA SER D 41 -9.955 -0.285 9.942 1.00 0.00 H new ATOM 0 HB2 SER D 41 -8.513 1.671 10.348 1.00 0.00 H new ATOM 0 HB3 SER D 41 -9.523 2.651 9.303 1.00 0.00 H new ATOM 0 HG SER D 41 -10.077 2.894 11.540 1.00 0.00 H new ATOM 621 N ASN D 42 -12.341 0.426 9.630 1.00 0.00 N ATOM 622 CA ASN D 42 -13.771 0.303 9.332 1.00 0.00 C ATOM 623 C ASN D 42 -14.073 -1.084 8.784 1.00 0.00 C ATOM 624 O ASN D 42 -15.209 -1.389 8.425 1.00 0.00 O ATOM 625 CB ASN D 42 -14.266 1.403 8.395 1.00 0.00 C ATOM 626 CG ASN D 42 -14.181 2.764 9.053 1.00 0.00 C ATOM 627 OD1 ASN D 42 -14.842 3.021 10.061 1.00 0.00 O ATOM 628 ND2 ASN D 42 -13.350 3.635 8.506 1.00 0.00 N ATOM 0 H ASN D 42 -12.126 0.301 10.619 1.00 0.00 H new ATOM 0 HA ASN D 42 -14.320 0.433 10.265 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -13.672 1.400 7.481 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -15.297 1.200 8.105 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -13.237 4.561 8.919 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -12.822 3.381 7.671 1.00 0.00 H new ATOM 635 N ALA D 43 -13.074 -1.961 8.918 1.00 0.00 N ATOM 636 CA ALA D 43 -13.209 -3.392 8.653 1.00 0.00 C ATOM 637 C ALA D 43 -13.955 -3.709 7.357 1.00 0.00 C ATOM 638 O ALA D 43 -14.850 -4.555 7.345 1.00 0.00 O ATOM 639 CB ALA D 43 -13.883 -4.072 9.834 1.00 0.00 C ATOM 0 H ALA D 43 -12.137 -1.691 9.218 1.00 0.00 H new ATOM 0 HA ALA D 43 -12.200 -3.782 8.520 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -13.982 -5.139 9.632 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -13.280 -3.927 10.730 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -14.871 -3.639 9.988 1.00 0.00 H new ATOM 645 N GLY D 44 -13.481 -3.167 6.242 1.00 0.00 N ATOM 646 CA GLY D 44 -14.020 -3.571 4.962 1.00 0.00 C ATOM 647 C GLY D 44 -14.868 -2.519 4.290 1.00 0.00 C ATOM 648 O GLY D 44 -15.759 -2.854 3.515 1.00 0.00 O ATOM 0 H GLY D 44 -12.743 -2.464 6.202 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -13.195 -3.835 4.300 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -14.619 -4.471 5.100 1.00 0.00 H new ATOM 652 N TYR D 45 -14.501 -1.261 4.447 1.00 0.00 N ATOM 653 CA TYR D 45 -15.137 -0.197 3.686 1.00 0.00 C ATOM 654 C TYR D 45 -14.114 0.454 2.778 1.00 0.00 C ATOM 655 O TYR D 45 -12.914 0.408 3.055 1.00 0.00 O ATOM 656 CB TYR D 45 -15.779 0.866 4.589 1.00 0.00 C ATOM 657 CG TYR D 45 -17.010 0.388 5.358 1.00 0.00 C ATOM 658 CD1 TYR D 45 -18.171 1.164 5.431 1.00 0.00 C ATOM 659 CD2 TYR D 45 -17.020 -0.843 6.004 1.00 0.00 C ATOM 660 CE1 TYR D 45 -19.284 0.722 6.116 1.00 0.00 C ATOM 661 CE2 TYR D 45 -18.131 -1.286 6.692 1.00 0.00 C ATOM 662 CZ TYR D 45 -19.259 -0.502 6.743 1.00 0.00 C ATOM 663 OH TYR D 45 -20.368 -0.946 7.421 1.00 0.00 O ATOM 0 H TYR D 45 -13.772 -0.950 5.089 1.00 0.00 H new ATOM 0 HA TYR D 45 -15.936 -0.647 3.097 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -15.034 1.215 5.303 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -16.060 1.723 3.976 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -18.197 2.127 4.942 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -16.139 -1.466 5.967 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -20.172 1.335 6.160 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -18.114 -2.245 7.189 1.00 0.00 H new ATOM 0 HH TYR D 45 -20.185 -1.829 7.805 1.00 0.00 H new ATOM 673 N GLY D 46 -14.586 1.097 1.724 1.00 0.00 N ATOM 674 CA GLY D 46 -13.689 1.803 0.833 1.00 0.00 C ATOM 675 C GLY D 46 -13.649 3.266 1.164 1.00 0.00 C ATOM 676 O GLY D 46 -14.381 3.697 2.039 1.00 0.00 O ATOM 0 H GLY D 46 -15.572 1.144 1.468 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.687 1.381 0.910 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -14.014 1.668 -0.199 1.00 0.00 H new ATOM 680 N ILE D 47 -12.784 4.017 0.493 1.00 0.00 N ATOM 681 CA ILE D 47 -12.616 5.446 0.759 1.00 0.00 C ATOM 682 C ILE D 47 -13.941 6.151 0.863 1.00 0.00 C ATOM 683 O ILE D 47 -14.264 6.770 1.875 1.00 0.00 O ATOM 684 CB ILE D 47 -11.912 6.099 -0.405 1.00 0.00 C ATOM 685 CG1 ILE D 47 -10.617 5.384 -0.685 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.671 7.576 -0.135 1.00 0.00 C ATOM 687 CD1 ILE D 47 -9.665 5.369 0.486 1.00 0.00 C ATOM 0 H ILE D 47 -12.181 3.658 -0.247 1.00 0.00 H new ATOM 0 HA ILE D 47 -12.058 5.525 1.692 1.00 0.00 H new ATOM 0 HB ILE D 47 -12.550 6.026 -1.286 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -10.835 4.357 -0.977 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -10.126 5.859 -1.534 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -11.162 8.024 -0.989 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.626 8.078 0.022 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -11.052 7.687 0.755 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -8.755 4.837 0.208 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -9.416 6.393 0.765 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -10.136 4.867 1.331 1.00 0.00 H new ATOM 699 N SER D 48 -14.666 6.069 -0.237 1.00 0.00 N ATOM 700 CA SER D 48 -15.956 6.715 -0.379 1.00 0.00 C ATOM 701 C SER D 48 -16.414 6.553 -1.826 1.00 0.00 C ATOM 702 O SER D 48 -15.934 5.658 -2.521 1.00 0.00 O ATOM 703 CB SER D 48 -15.839 8.202 -0.023 1.00 0.00 C ATOM 704 OG SER D 48 -17.107 8.839 0.029 1.00 0.00 O ATOM 0 H SER D 48 -14.373 5.548 -1.063 1.00 0.00 H new ATOM 0 HA SER D 48 -16.682 6.259 0.294 1.00 0.00 H new ATOM 0 HB2 SER D 48 -15.342 8.306 0.941 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.212 8.703 -0.761 1.00 0.00 H new ATOM 0 HG SER D 48 -17.807 8.165 0.158 1.00 0.00 H new ATOM 710 N TYR D 49 -17.203 7.499 -2.329 1.00 0.00 N ATOM 711 CA TYR D 49 -17.547 7.515 -3.748 1.00 0.00 C ATOM 712 C TYR D 49 -16.422 8.129 -4.562 1.00 0.00 C ATOM 713 O TYR D 49 -16.529 9.261 -5.036 1.00 0.00 O ATOM 714 CB TYR D 49 -18.835 8.295 -4.016 1.00 0.00 C ATOM 715 CG TYR D 49 -20.108 7.624 -3.497 1.00 0.00 C ATOM 716 CD1 TYR D 49 -20.094 6.937 -2.287 1.00 0.00 C ATOM 717 CD2 TYR D 49 -21.326 7.677 -4.195 1.00 0.00 C ATOM 718 CE1 TYR D 49 -21.227 6.326 -1.792 1.00 0.00 C ATOM 719 CE2 TYR D 49 -22.458 7.065 -3.695 1.00 0.00 C ATOM 720 CZ TYR D 49 -22.402 6.392 -2.498 1.00 0.00 C ATOM 721 OH TYR D 49 -23.529 5.786 -1.999 1.00 0.00 O ATOM 0 H TYR D 49 -17.612 8.257 -1.782 1.00 0.00 H new ATOM 0 HA TYR D 49 -17.701 6.478 -4.047 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -18.748 9.281 -3.560 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -18.934 8.449 -5.091 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -19.175 6.881 -1.723 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -21.378 8.204 -5.136 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -21.190 5.797 -0.851 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -23.387 7.115 -4.244 1.00 0.00 H new ATOM 0 HH TYR D 49 -24.276 5.926 -2.617 1.00 0.00 H new ATOM 731 N GLU D 50 -15.378 7.347 -4.771 1.00 0.00 N ATOM 732 CA GLU D 50 -14.244 7.751 -5.585 1.00 0.00 C ATOM 733 C GLU D 50 -13.620 6.527 -6.225 1.00 0.00 C ATOM 734 O GLU D 50 -13.697 5.433 -5.665 1.00 0.00 O ATOM 735 CB GLU D 50 -13.185 8.457 -4.739 1.00 0.00 C ATOM 736 CG GLU D 50 -13.572 9.829 -4.236 1.00 0.00 C ATOM 737 CD GLU D 50 -12.523 10.414 -3.319 1.00 0.00 C ATOM 738 OE1 GLU D 50 -12.708 11.551 -2.850 1.00 0.00 O ATOM 739 OE2 GLU D 50 -11.516 9.724 -3.052 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.292 6.409 -4.379 1.00 0.00 H new ATOM 0 HA GLU D 50 -14.603 8.440 -6.349 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -12.949 7.827 -3.882 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -12.273 8.548 -5.329 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -13.724 10.496 -5.084 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -14.522 9.766 -3.706 1.00 0.00 H new ATOM 746 N ASP D 51 -12.934 6.710 -7.341 1.00 0.00 N ATOM 747 CA ASP D 51 -12.245 5.584 -7.959 1.00 0.00 C ATOM 748 C ASP D 51 -10.752 5.834 -8.023 1.00 0.00 C ATOM 749 O ASP D 51 -10.306 6.864 -8.520 1.00 0.00 O ATOM 750 CB ASP D 51 -12.791 5.277 -9.355 1.00 0.00 C ATOM 751 CG ASP D 51 -14.302 5.200 -9.396 1.00 0.00 C ATOM 752 OD1 ASP D 51 -14.880 4.364 -8.678 1.00 0.00 O ATOM 753 OD2 ASP D 51 -14.913 5.983 -10.149 1.00 0.00 O1- ATOM 0 H ASP D 51 -12.839 7.601 -7.829 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.429 4.712 -7.331 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -12.453 6.047 -10.049 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -12.375 4.331 -9.702 1.00 0.00 H new ATOM 758 N LYS D 52 -9.984 4.873 -7.515 1.00 0.00 N ATOM 759 CA LYS D 52 -8.534 4.960 -7.501 1.00 0.00 C ATOM 760 C LYS D 52 -7.935 3.598 -7.764 1.00 0.00 C ATOM 761 O LYS D 52 -8.242 2.633 -7.064 1.00 0.00 O ATOM 762 CB LYS D 52 -7.986 5.514 -6.184 1.00 0.00 C ATOM 763 CG LYS D 52 -8.322 6.978 -5.924 1.00 0.00 C ATOM 764 CD LYS D 52 -9.718 7.174 -5.354 1.00 0.00 C ATOM 765 CE LYS D 52 -9.739 6.844 -3.877 1.00 0.00 C ATOM 766 NZ LYS D 52 -11.081 7.043 -3.281 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.353 4.016 -7.103 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.250 5.658 -8.289 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -8.376 4.914 -5.362 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -6.902 5.397 -6.178 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -7.591 7.396 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -8.234 7.536 -6.856 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.038 8.205 -5.507 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -10.426 6.538 -5.885 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -9.428 5.809 -3.733 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -9.015 7.470 -3.356 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -11.199 6.403 -2.470 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -11.176 8.028 -2.961 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -11.811 6.838 -3.993 1.00 0.00 H new ATOM 780 N ASN D 53 -7.026 3.538 -8.718 1.00 0.00 N ATOM 781 CA ASN D 53 -6.312 2.307 -8.999 1.00 0.00 C ATOM 782 C ASN D 53 -4.913 2.392 -8.445 1.00 0.00 C ATOM 783 O ASN D 53 -4.234 3.406 -8.604 1.00 0.00 O ATOM 784 CB ASN D 53 -6.270 2.003 -10.494 1.00 0.00 C ATOM 785 CG ASN D 53 -7.614 1.567 -11.046 1.00 0.00 C ATOM 786 OD1 ASN D 53 -8.657 1.606 -10.222 1.00 0.00 O flip ATOM 787 ND2 ASN D 53 -7.720 1.213 -12.221 1.00 0.00 N flip ATOM 0 H ASN D 53 -6.765 4.326 -9.311 1.00 0.00 H new ATOM 0 HA ASN D 53 -6.848 1.491 -8.515 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -5.933 2.890 -11.031 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.535 1.220 -10.680 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -6.898 1.195 -12.824 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.630 0.938 -12.591 1.00 0.00 H new ATOM 794 N TRP D 54 -4.526 1.379 -7.700 1.00 0.00 N ATOM 795 CA TRP D 54 -3.254 1.405 -7.021 1.00 0.00 C ATOM 796 C TRP D 54 -2.294 0.349 -7.504 1.00 0.00 C ATOM 797 O TRP D 54 -2.690 -0.674 -8.061 1.00 0.00 O ATOM 798 CB TRP D 54 -3.428 1.264 -5.522 1.00 0.00 C ATOM 799 CG TRP D 54 -3.232 2.561 -4.833 1.00 0.00 C ATOM 800 CD1 TRP D 54 -3.987 3.694 -4.908 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.118 2.869 -4.028 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.394 4.691 -4.166 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.237 4.197 -3.620 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.028 2.132 -3.608 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.280 4.796 -2.814 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.099 2.733 -2.810 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.224 4.053 -2.424 1.00 0.00 C ATOM 0 H TRP D 54 -5.073 0.531 -7.551 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.823 2.378 -7.258 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.425 0.881 -5.304 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -2.715 0.534 -5.138 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -4.908 3.794 -5.463 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -3.754 5.637 -4.043 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -0.913 1.100 -3.906 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.378 5.827 -2.508 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.754 2.163 -2.472 1.00 0.00 H new ATOM 0 HH2 TRP D 54 0.537 4.498 -1.799 1.00 0.00 H new ATOM 818 N GLY D 55 -1.022 0.578 -7.213 1.00 0.00 N ATOM 819 CA GLY D 55 -0.016 -0.385 -7.553 1.00 0.00 C ATOM 820 C GLY D 55 1.087 -0.485 -6.529 1.00 0.00 C ATOM 821 O GLY D 55 1.341 0.432 -5.751 1.00 0.00 O ATOM 0 H GLY D 55 -0.676 1.417 -6.747 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.484 -1.363 -7.669 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.417 -0.122 -8.518 1.00 0.00 H new ATOM 825 N ILE D 56 1.743 -1.614 -6.587 1.00 0.00 N ATOM 826 CA ILE D 56 2.874 -1.968 -5.743 1.00 0.00 C ATOM 827 C ILE D 56 3.857 -2.707 -6.633 1.00 0.00 C ATOM 828 O ILE D 56 3.482 -3.702 -7.251 1.00 0.00 O ATOM 829 CB ILE D 56 2.422 -2.908 -4.601 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.381 -2.236 -3.706 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.609 -3.350 -3.764 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.757 -3.191 -2.712 1.00 0.00 C ATOM 0 H ILE D 56 1.500 -2.350 -7.250 1.00 0.00 H new ATOM 0 HA ILE D 56 3.315 -1.078 -5.295 1.00 0.00 H new ATOM 0 HB ILE D 56 1.967 -3.784 -5.063 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.850 -1.413 -3.167 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.598 -1.804 -4.329 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.267 -4.010 -2.967 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.321 -3.882 -4.395 1.00 0.00 H new ATOM 0 HG23 ILE D 56 4.093 -2.476 -3.328 1.00 0.00 H new ATOM 0 HD11 ILE D 56 0.026 -2.657 -2.104 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.262 -4.001 -3.247 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.533 -3.603 -2.067 1.00 0.00 H new ATOM 844 N PHE D 57 5.032 -2.145 -6.853 1.00 0.00 N ATOM 845 CA PHE D 57 5.927 -2.717 -7.847 1.00 0.00 C ATOM 846 C PHE D 57 7.187 -3.237 -7.188 1.00 0.00 C ATOM 847 O PHE D 57 7.944 -2.471 -6.606 1.00 0.00 O ATOM 848 CB PHE D 57 6.314 -1.701 -8.936 1.00 0.00 C ATOM 849 CG PHE D 57 5.153 -0.951 -9.533 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.484 0.009 -8.797 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.722 -1.215 -10.822 1.00 0.00 C ATOM 852 CE1 PHE D 57 3.415 0.690 -9.324 1.00 0.00 C ATOM 853 CE2 PHE D 57 3.647 -0.530 -11.360 1.00 0.00 C ATOM 854 CZ PHE D 57 2.993 0.425 -10.605 1.00 0.00 C ATOM 0 H PHE D 57 5.384 -1.316 -6.373 1.00 0.00 H new ATOM 0 HA PHE D 57 5.386 -3.536 -8.321 1.00 0.00 H new ATOM 0 HB2 PHE D 57 7.015 -0.982 -8.511 1.00 0.00 H new ATOM 0 HB3 PHE D 57 6.840 -2.226 -9.734 1.00 0.00 H new ATOM 0 HD1 PHE D 57 4.808 0.227 -7.790 1.00 0.00 H new ATOM 0 HD2 PHE D 57 5.230 -1.963 -11.413 1.00 0.00 H new ATOM 0 HE1 PHE D 57 2.905 1.435 -8.731 1.00 0.00 H new ATOM 0 HE2 PHE D 57 3.320 -0.741 -12.367 1.00 0.00 H new ATOM 0 HZ PHE D 57 2.153 0.962 -11.020 1.00 0.00 H new ATOM 864 N VAL D 58 7.459 -4.511 -7.391 1.00 0.00 N ATOM 865 CA VAL D 58 8.699 -5.117 -6.934 1.00 0.00 C ATOM 866 C VAL D 58 9.674 -5.249 -8.099 1.00 0.00 C ATOM 867 O VAL D 58 9.407 -5.968 -9.063 1.00 0.00 O ATOM 868 CB VAL D 58 8.452 -6.499 -6.291 1.00 0.00 C ATOM 869 CG1 VAL D 58 9.757 -7.177 -5.930 1.00 0.00 C ATOM 870 CG2 VAL D 58 7.588 -6.360 -5.052 1.00 0.00 C ATOM 0 H VAL D 58 6.832 -5.154 -7.874 1.00 0.00 H new ATOM 0 HA VAL D 58 9.129 -4.467 -6.172 1.00 0.00 H new ATOM 0 HB VAL D 58 7.933 -7.117 -7.024 1.00 0.00 H new ATOM 0 HG11 VAL D 58 9.550 -8.148 -5.479 1.00 0.00 H new ATOM 0 HG12 VAL D 58 10.356 -7.315 -6.830 1.00 0.00 H new ATOM 0 HG13 VAL D 58 10.305 -6.557 -5.221 1.00 0.00 H new ATOM 0 HG21 VAL D 58 7.423 -7.343 -4.611 1.00 0.00 H new ATOM 0 HG22 VAL D 58 8.090 -5.717 -4.329 1.00 0.00 H new ATOM 0 HG23 VAL D 58 6.629 -5.920 -5.325 1.00 0.00 H new ATOM 880 N ASN D 59 10.763 -4.486 -8.035 1.00 0.00 N ATOM 881 CA ASN D 59 11.757 -4.429 -9.110 1.00 0.00 C ATOM 882 C ASN D 59 11.139 -3.930 -10.410 1.00 0.00 C ATOM 883 O ASN D 59 11.569 -4.313 -11.497 1.00 0.00 O ATOM 884 CB ASN D 59 12.429 -5.789 -9.347 1.00 0.00 C ATOM 885 CG ASN D 59 13.209 -6.271 -8.143 1.00 0.00 C ATOM 886 OD1 ASN D 59 12.643 -6.523 -7.084 1.00 0.00 O ATOM 887 ND2 ASN D 59 14.518 -6.390 -8.295 1.00 0.00 N ATOM 0 H ASN D 59 10.983 -3.889 -7.238 1.00 0.00 H new ATOM 0 HA ASN D 59 12.521 -3.723 -8.786 1.00 0.00 H new ATOM 0 HB2 ASN D 59 11.668 -6.527 -9.601 1.00 0.00 H new ATOM 0 HB3 ASN D 59 13.099 -5.715 -10.203 1.00 0.00 H new ATOM 0 HD21 ASN D 59 15.096 -6.702 -7.514 1.00 0.00 H new ATOM 0 HD22 ASN D 59 14.949 -6.170 -9.193 1.00 0.00 H new ATOM 894 N GLY D 60 10.202 -2.998 -10.301 1.00 0.00 N ATOM 895 CA GLY D 60 9.639 -2.383 -11.486 1.00 0.00 C ATOM 896 C GLY D 60 8.299 -2.946 -11.892 1.00 0.00 C ATOM 897 O GLY D 60 7.488 -2.248 -12.501 1.00 0.00 O ATOM 0 H GLY D 60 9.823 -2.658 -9.417 1.00 0.00 H new ATOM 0 HA2 GLY D 60 9.534 -1.312 -11.312 1.00 0.00 H new ATOM 0 HA3 GLY D 60 10.338 -2.505 -12.313 1.00 0.00 H new ATOM 901 N GLU D 61 8.104 -4.227 -11.650 1.00 0.00 N ATOM 902 CA GLU D 61 6.892 -4.901 -12.105 1.00 0.00 C ATOM 903 C GLU D 61 5.794 -4.828 -11.053 1.00 0.00 C ATOM 904 O GLU D 61 6.064 -4.873 -9.853 1.00 0.00 O ATOM 905 CB GLU D 61 7.174 -6.372 -12.450 1.00 0.00 C ATOM 906 CG GLU D 61 7.563 -7.239 -11.259 1.00 0.00 C ATOM 907 CD GLU D 61 7.822 -8.677 -11.644 1.00 0.00 C ATOM 908 OE1 GLU D 61 8.174 -9.476 -10.758 1.00 0.00 O ATOM 909 OE2 GLU D 61 7.671 -9.013 -12.836 1.00 0.00 O1- ATOM 0 H GLU D 61 8.760 -4.823 -11.145 1.00 0.00 H new ATOM 0 HA GLU D 61 6.554 -4.385 -13.004 1.00 0.00 H new ATOM 0 HB2 GLU D 61 6.287 -6.798 -12.919 1.00 0.00 H new ATOM 0 HB3 GLU D 61 7.975 -6.411 -13.188 1.00 0.00 H new ATOM 0 HG2 GLU D 61 8.456 -6.826 -10.791 1.00 0.00 H new ATOM 0 HG3 GLU D 61 6.768 -7.204 -10.514 1.00 0.00 H new ATOM 916 N LYS D 62 4.552 -4.792 -11.516 1.00 0.00 N ATOM 917 CA LYS D 62 3.407 -4.809 -10.620 1.00 0.00 C ATOM 918 C LYS D 62 3.346 -6.142 -9.888 1.00 0.00 C ATOM 919 O LYS D 62 3.334 -7.200 -10.520 1.00 0.00 O ATOM 920 CB LYS D 62 2.108 -4.620 -11.407 1.00 0.00 C ATOM 921 CG LYS D 62 0.862 -4.631 -10.533 1.00 0.00 C ATOM 922 CD LYS D 62 0.727 -3.358 -9.714 1.00 0.00 C ATOM 923 CE LYS D 62 0.378 -2.179 -10.608 1.00 0.00 C ATOM 924 NZ LYS D 62 -0.875 -2.434 -11.372 1.00 0.00 N1+ ATOM 0 H LYS D 62 4.313 -4.751 -12.507 1.00 0.00 H new ATOM 0 HA LYS D 62 3.519 -3.994 -9.905 1.00 0.00 H new ATOM 0 HB2 LYS D 62 2.154 -3.675 -11.948 1.00 0.00 H new ATOM 0 HB3 LYS D 62 2.026 -5.411 -12.153 1.00 0.00 H new ATOM 0 HG2 LYS D 62 -0.020 -4.752 -11.162 1.00 0.00 H new ATOM 0 HG3 LYS D 62 0.897 -5.490 -9.863 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -0.046 -3.487 -8.956 1.00 0.00 H new ATOM 0 HD3 LYS D 62 1.660 -3.158 -9.187 1.00 0.00 H new ATOM 0 HE2 LYS D 62 0.260 -1.281 -10.001 1.00 0.00 H new ATOM 0 HE3 LYS D 62 1.198 -1.990 -11.301 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 -1.317 -1.528 -11.626 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 -0.652 -2.965 -12.238 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 -1.532 -2.988 -10.786 1.00 0.00 H new ATOM 938 N VAL D 63 3.282 -6.096 -8.570 1.00 0.00 N ATOM 939 CA VAL D 63 3.190 -7.314 -7.791 1.00 0.00 C ATOM 940 C VAL D 63 1.797 -7.452 -7.165 1.00 0.00 C ATOM 941 O VAL D 63 1.279 -8.559 -7.016 1.00 0.00 O ATOM 942 CB VAL D 63 4.295 -7.378 -6.727 1.00 0.00 C ATOM 943 CG1 VAL D 63 4.133 -6.298 -5.674 1.00 0.00 C ATOM 944 CG2 VAL D 63 4.383 -8.758 -6.095 1.00 0.00 C ATOM 0 H VAL D 63 3.292 -5.236 -8.022 1.00 0.00 H new ATOM 0 HA VAL D 63 3.339 -8.159 -8.463 1.00 0.00 H new ATOM 0 HB VAL D 63 5.239 -7.189 -7.239 1.00 0.00 H new ATOM 0 HG11 VAL D 63 4.936 -6.381 -4.942 1.00 0.00 H new ATOM 0 HG12 VAL D 63 4.174 -5.318 -6.149 1.00 0.00 H new ATOM 0 HG13 VAL D 63 3.172 -6.419 -5.174 1.00 0.00 H new ATOM 0 HG21 VAL D 63 5.176 -8.766 -5.347 1.00 0.00 H new ATOM 0 HG22 VAL D 63 3.433 -9.002 -5.619 1.00 0.00 H new ATOM 0 HG23 VAL D 63 4.604 -9.497 -6.865 1.00 0.00 H new ATOM 954 N TYR D 64 1.153 -6.315 -6.883 1.00 0.00 N ATOM 955 CA TYR D 64 -0.214 -6.322 -6.373 1.00 0.00 C ATOM 956 C TYR D 64 -0.951 -5.045 -6.780 1.00 0.00 C ATOM 957 O TYR D 64 -0.431 -3.941 -6.612 1.00 0.00 O ATOM 958 CB TYR D 64 -0.217 -6.456 -4.848 1.00 0.00 C ATOM 959 CG TYR D 64 -1.606 -6.617 -4.260 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.085 -5.751 -3.283 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.437 -7.646 -4.683 1.00 0.00 C ATOM 962 CE1 TYR D 64 -3.346 -5.909 -2.748 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.701 -7.809 -4.153 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.151 -6.937 -3.187 1.00 0.00 C ATOM 965 OH TYR D 64 -5.408 -7.097 -2.657 1.00 0.00 O ATOM 0 H TYR D 64 1.557 -5.386 -7.000 1.00 0.00 H new ATOM 0 HA TYR D 64 -0.730 -7.179 -6.806 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.391 -7.315 -4.565 1.00 0.00 H new ATOM 0 HB3 TYR D 64 0.254 -5.575 -4.412 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -1.459 -4.941 -2.938 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -2.088 -8.332 -5.441 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -3.701 -5.229 -1.988 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -4.333 -8.616 -4.494 1.00 0.00 H new ATOM 0 HH TYR D 64 -5.844 -7.868 -3.076 1.00 0.00 H new ATOM 975 N THR D 65 -2.190 -5.199 -7.240 1.00 0.00 N ATOM 976 CA THR D 65 -3.035 -4.059 -7.579 1.00 0.00 C ATOM 977 C THR D 65 -4.262 -4.031 -6.680 1.00 0.00 C ATOM 978 O THR D 65 -5.053 -4.977 -6.675 1.00 0.00 O ATOM 979 CB THR D 65 -3.474 -4.119 -9.027 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.358 -4.181 -9.895 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.341 -2.944 -9.468 1.00 0.00 C ATOM 0 H THR D 65 -2.632 -6.107 -7.387 1.00 0.00 H new ATOM 0 HA THR D 65 -2.450 -3.152 -7.429 1.00 0.00 H new ATOM 0 HB THR D 65 -4.077 -5.025 -9.091 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.655 -4.443 -10.791 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.611 -3.065 -10.517 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.246 -2.912 -8.861 1.00 0.00 H new ATOM 0 HG23 THR D 65 -3.786 -2.015 -9.341 1.00 0.00 H new ATOM 989 N PHE D 66 -4.489 -2.912 -6.014 1.00 0.00 N ATOM 990 CA PHE D 66 -5.704 -2.745 -5.238 1.00 0.00 C ATOM 991 C PHE D 66 -6.403 -1.477 -5.641 1.00 0.00 C ATOM 992 O PHE D 66 -5.820 -0.606 -6.283 1.00 0.00 O ATOM 993 CB PHE D 66 -5.433 -2.786 -3.733 1.00 0.00 C ATOM 994 CG PHE D 66 -4.560 -1.693 -3.160 1.00 0.00 C ATOM 995 CD1 PHE D 66 -3.248 -1.957 -2.786 1.00 0.00 C ATOM 996 CD2 PHE D 66 -5.068 -0.422 -2.931 1.00 0.00 C ATOM 997 CE1 PHE D 66 -2.461 -0.975 -2.209 1.00 0.00 C ATOM 998 CE2 PHE D 66 -4.284 0.562 -2.360 1.00 0.00 C ATOM 999 CZ PHE D 66 -2.979 0.288 -1.996 1.00 0.00 C ATOM 0 H PHE D 66 -3.855 -2.113 -5.995 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.362 -3.586 -5.455 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.392 -2.759 -3.216 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -4.972 -3.745 -3.498 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -2.836 -2.942 -2.948 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -6.089 -0.199 -3.203 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -1.443 -1.196 -1.926 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -4.692 1.549 -2.198 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.368 1.057 -1.548 1.00 0.00 H new ATOM 1009 N ASN D 67 -7.668 -1.398 -5.316 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.465 -0.259 -5.689 1.00 0.00 C ATOM 1011 C ASN D 67 -9.116 0.305 -4.455 1.00 0.00 C ATOM 1012 O ASN D 67 -9.454 -0.438 -3.547 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.530 -0.667 -6.708 1.00 0.00 C ATOM 1014 CG ASN D 67 -8.930 -1.295 -7.946 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -8.127 -0.677 -8.640 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -9.317 -2.529 -8.227 1.00 0.00 N ATOM 0 H ASN D 67 -8.170 -2.114 -4.791 1.00 0.00 H new ATOM 0 HA ASN D 67 -7.828 0.498 -6.146 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -10.222 -1.371 -6.245 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -10.111 0.210 -6.993 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -8.946 -3.005 -9.049 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -9.987 -3.004 -7.622 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.306 1.608 -4.431 1.00 0.00 N ATOM 1024 CA GLU D 68 -9.951 2.257 -3.300 1.00 0.00 C ATOM 1025 C GLU D 68 -11.460 2.113 -3.422 1.00 0.00 C ATOM 1026 O GLU D 68 -12.193 2.177 -2.435 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.558 3.714 -3.275 1.00 0.00 C ATOM 1028 CG GLU D 68 -8.058 3.931 -3.313 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.369 3.582 -2.014 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -6.142 3.768 -1.934 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -8.058 3.134 -1.079 1.00 0.00 O1- ATOM 0 H GLU D 68 -9.024 2.241 -5.179 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.632 1.787 -2.370 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -10.013 4.221 -4.126 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -9.962 4.177 -2.375 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.631 3.329 -4.115 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -7.855 4.974 -3.555 1.00 0.00 H new ATOM 1038 N LYS D 69 -11.866 1.730 -4.626 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.234 1.327 -4.907 1.00 0.00 C ATOM 1040 C LYS D 69 -13.491 0.060 -4.144 1.00 0.00 C ATOM 1041 O LYS D 69 -14.389 -0.041 -3.309 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.351 1.007 -6.382 1.00 0.00 C ATOM 1043 CG LYS D 69 -12.865 2.135 -7.267 1.00 0.00 C ATOM 1044 CD LYS D 69 -13.028 1.814 -8.747 1.00 0.00 C ATOM 1045 CE LYS D 69 -12.221 0.591 -9.162 1.00 0.00 C ATOM 1046 NZ LYS D 69 -12.336 0.323 -10.619 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.250 1.691 -5.438 1.00 0.00 H new ATOM 0 HA LYS D 69 -13.935 2.115 -4.631 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -12.777 0.107 -6.600 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.392 0.787 -6.620 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.418 3.044 -7.031 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -11.815 2.336 -7.054 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -14.082 1.643 -8.966 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -12.714 2.673 -9.340 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -11.173 0.741 -8.902 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -12.567 -0.279 -8.604 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -11.773 -0.517 -10.863 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -13.333 0.155 -10.863 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -11.983 1.143 -11.152 1.00 0.00 H new ATOM 1060 N SER D 70 -12.530 -0.822 -4.330 1.00 0.00 N ATOM 1061 CA SER D 70 -12.412 -2.025 -3.567 1.00 0.00 C ATOM 1062 C SER D 70 -12.218 -1.660 -2.106 1.00 0.00 C ATOM 1063 O SER D 70 -11.380 -0.826 -1.776 1.00 0.00 O ATOM 1064 CB SER D 70 -11.219 -2.812 -4.092 1.00 0.00 C ATOM 1065 OG SER D 70 -11.377 -3.112 -5.472 1.00 0.00 O ATOM 0 H SER D 70 -11.799 -0.710 -5.033 1.00 0.00 H new ATOM 0 HA SER D 70 -13.309 -2.637 -3.658 1.00 0.00 H new ATOM 0 HB2 SER D 70 -10.305 -2.237 -3.943 1.00 0.00 H new ATOM 0 HB3 SER D 70 -11.110 -3.736 -3.525 1.00 0.00 H new ATOM 0 HG SER D 70 -10.598 -3.616 -5.788 1.00 0.00 H new ATOM 1071 N THR D 71 -13.007 -2.255 -1.239 1.00 0.00 N ATOM 1072 CA THR D 71 -12.925 -1.964 0.168 1.00 0.00 C ATOM 1073 C THR D 71 -11.523 -2.267 0.671 1.00 0.00 C ATOM 1074 O THR D 71 -11.096 -3.424 0.644 1.00 0.00 O ATOM 1075 CB THR D 71 -13.951 -2.797 0.910 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.723 -4.179 0.707 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.376 -2.509 0.489 1.00 0.00 C ATOM 0 H THR D 71 -13.715 -2.946 -1.489 1.00 0.00 H new ATOM 0 HA THR D 71 -13.134 -0.909 0.342 1.00 0.00 H new ATOM 0 HB THR D 71 -13.832 -2.525 1.959 1.00 0.00 H new ATOM 0 HG1 THR D 71 -12.778 -4.327 0.495 1.00 0.00 H new ATOM 0 HG21 THR D 71 -16.058 -3.139 1.059 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.607 -1.461 0.678 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.491 -2.719 -0.574 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.780 -1.220 1.050 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.408 -1.369 1.477 1.00 0.00 C ATOM 1087 C VAL D 72 -9.298 -2.470 2.528 1.00 0.00 C ATOM 1088 O VAL D 72 -8.275 -3.137 2.641 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.783 -0.041 2.000 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.511 0.251 1.238 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.725 1.148 1.819 1.00 0.00 C ATOM 0 H VAL D 72 -11.121 -0.259 1.065 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.832 -1.652 0.596 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.588 -0.173 3.064 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -7.073 1.180 1.603 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.804 -0.566 1.384 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -7.737 0.349 0.176 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.247 2.052 2.198 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -9.953 1.274 0.760 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.648 0.968 2.370 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.416 -2.716 3.212 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.520 -3.789 4.177 1.00 0.00 C ATOM 1103 C GLY D 73 -10.295 -5.171 3.610 1.00 0.00 C ATOM 1104 O GLY D 73 -9.332 -5.840 3.974 1.00 0.00 O ATOM 0 H GLY D 73 -11.271 -2.171 3.106 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -9.796 -3.615 4.973 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.509 -3.755 4.633 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.214 -5.624 2.759 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.135 -6.971 2.189 1.00 0.00 C ATOM 1110 C ASN D 74 -9.884 -7.132 1.350 1.00 0.00 C ATOM 1111 O ASN D 74 -9.388 -8.239 1.158 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.368 -7.281 1.344 1.00 0.00 C ATOM 1113 CG ASN D 74 -13.636 -7.316 2.178 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -13.743 -8.093 3.126 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -14.597 -6.472 1.843 1.00 0.00 N ATOM 0 H ASN D 74 -12.020 -5.081 2.449 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.094 -7.676 3.019 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -12.470 -6.529 0.562 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.234 -8.242 0.847 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -15.465 -6.450 2.378 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -14.470 -5.843 1.050 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.327 -6.012 0.947 1.00 0.00 N ATOM 1123 CA ILE D 75 -8.063 -5.998 0.230 1.00 0.00 C ATOM 1124 C ILE D 75 -6.900 -6.240 1.173 1.00 0.00 C ATOM 1125 O ILE D 75 -5.972 -6.971 0.849 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.883 -4.662 -0.474 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.938 -4.510 -1.579 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.474 -4.530 -1.024 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.803 -5.545 -2.672 1.00 0.00 C ATOM 0 H ILE D 75 -9.731 -5.089 1.104 1.00 0.00 H new ATOM 0 HA ILE D 75 -8.080 -6.800 -0.508 1.00 0.00 H new ATOM 0 HB ILE D 75 -8.026 -3.856 0.246 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -9.932 -4.584 -1.137 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -8.857 -3.515 -2.017 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.367 -3.567 -1.524 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.756 -4.596 -0.206 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.285 -5.332 -1.738 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.577 -5.384 -3.423 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -7.822 -5.456 -3.138 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -8.913 -6.542 -2.245 1.00 0.00 H new ATOM 1141 N SER D 76 -6.971 -5.660 2.356 1.00 0.00 N ATOM 1142 CA SER D 76 -5.936 -5.863 3.355 1.00 0.00 C ATOM 1143 C SER D 76 -6.061 -7.239 3.978 1.00 0.00 C ATOM 1144 O SER D 76 -5.057 -7.842 4.357 1.00 0.00 O ATOM 1145 CB SER D 76 -6.001 -4.779 4.421 1.00 0.00 C ATOM 1146 OG SER D 76 -5.049 -5.000 5.440 1.00 0.00 O ATOM 0 H SER D 76 -7.731 -5.046 2.649 1.00 0.00 H new ATOM 0 HA SER D 76 -4.965 -5.798 2.864 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.826 -3.805 3.963 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.001 -4.753 4.855 1.00 0.00 H new ATOM 0 HG SER D 76 -5.446 -4.786 6.310 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.251 -7.818 3.871 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.426 -9.222 4.203 1.00 0.00 C ATOM 1154 C ASN D 77 -6.556 -10.043 3.265 1.00 0.00 C ATOM 1155 O ASN D 77 -5.993 -11.064 3.654 1.00 0.00 O ATOM 1156 CB ASN D 77 -8.892 -9.651 4.068 1.00 0.00 C ATOM 1157 CG ASN D 77 -9.814 -8.986 5.077 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -9.258 -8.158 5.950 1.00 0.00 O flip ATOM 1159 ND2 ASN D 77 -11.023 -9.222 5.074 1.00 0.00 N flip ATOM 0 H ASN D 77 -8.098 -7.342 3.561 1.00 0.00 H new ATOM 0 HA ASN D 77 -7.133 -9.384 5.240 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.239 -9.418 3.062 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -8.958 -10.733 4.185 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -11.415 -9.865 4.386 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -11.632 -8.774 5.759 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.372 -9.512 2.054 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.478 -10.107 1.065 1.00 0.00 C ATOM 1168 C ASP D 78 -4.026 -9.694 1.265 1.00 0.00 C ATOM 1169 O ASP D 78 -3.120 -10.444 0.925 1.00 0.00 O ATOM 1170 CB ASP D 78 -5.926 -9.757 -0.360 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.132 -10.552 -0.804 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -8.185 -10.461 -0.153 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -7.026 -11.274 -1.814 1.00 0.00 O1- ATOM 0 H ASP D 78 -6.837 -8.662 1.735 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.536 -11.186 1.208 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.158 -8.693 -0.413 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.102 -9.938 -1.050 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.783 -8.504 1.776 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.409 -8.050 1.943 1.00 0.00 C ATOM 1180 C ILE D 79 -1.720 -8.845 3.046 1.00 0.00 C ATOM 1181 O ILE D 79 -0.495 -8.951 3.078 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.333 -6.531 2.235 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.176 -5.793 1.205 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -0.896 -6.043 2.136 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -3.254 -4.298 1.410 1.00 0.00 C ATOM 0 H ILE D 79 -4.499 -7.843 2.078 1.00 0.00 H new ATOM 0 HA ILE D 79 -1.887 -8.224 1.002 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.703 -6.341 3.243 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -2.769 -5.990 0.213 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -4.186 -6.202 1.221 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.860 -4.974 2.344 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.280 -6.575 2.861 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.517 -6.230 1.132 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -3.874 -3.856 0.631 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -3.692 -4.087 2.386 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.252 -3.871 1.362 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.521 -9.496 3.880 1.00 0.00 N ATOM 1198 CA ASN D 80 -1.999 -10.378 4.903 1.00 0.00 C ATOM 1199 C ASN D 80 -1.327 -11.597 4.284 1.00 0.00 C ATOM 1200 O ASN D 80 -0.262 -12.017 4.736 1.00 0.00 O ATOM 1201 CB ASN D 80 -3.112 -10.821 5.855 1.00 0.00 C ATOM 1202 CG ASN D 80 -3.664 -9.690 6.705 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -3.210 -8.473 6.449 1.00 0.00 O flip ATOM 1204 ND2 ASN D 80 -4.501 -9.908 7.580 1.00 0.00 N flip ATOM 0 H ASN D 80 -3.538 -9.426 3.863 1.00 0.00 H new ATOM 0 HA ASN D 80 -1.252 -9.823 5.470 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -3.924 -11.259 5.274 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -2.730 -11.604 6.509 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -4.827 -10.860 7.748 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -4.869 -9.137 8.137 1.00 0.00 H new ATOM 1211 N LYS D 81 -1.938 -12.158 3.242 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.367 -13.319 2.576 1.00 0.00 C ATOM 1213 C LYS D 81 -0.253 -12.944 1.599 1.00 0.00 C ATOM 1214 O LYS D 81 0.799 -13.576 1.597 1.00 0.00 O ATOM 1215 CB LYS D 81 -2.432 -14.171 1.871 1.00 0.00 C ATOM 1216 CG LYS D 81 -3.446 -13.396 1.056 1.00 0.00 C ATOM 1217 CD LYS D 81 -4.648 -13.015 1.902 1.00 0.00 C ATOM 1218 CE LYS D 81 -5.367 -14.238 2.454 1.00 0.00 C ATOM 1219 NZ LYS D 81 -5.857 -15.133 1.373 1.00 0.00 N1+ ATOM 0 H LYS D 81 -2.819 -11.829 2.847 1.00 0.00 H new ATOM 0 HA LYS D 81 -0.925 -13.923 3.369 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -1.929 -14.881 1.215 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -2.964 -14.754 2.623 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -2.982 -12.497 0.652 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -3.771 -13.997 0.206 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.324 -12.381 2.728 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.342 -12.427 1.302 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -4.691 -14.793 3.105 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -6.209 -13.917 3.068 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -6.482 -15.858 1.779 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -6.385 -14.574 0.672 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -5.048 -15.594 0.910 1.00 0.00 H new ATOM 1233 N LEU D 82 -0.489 -11.937 0.757 1.00 0.00 N ATOM 1234 CA LEU D 82 0.488 -11.507 -0.245 1.00 0.00 C ATOM 1235 C LEU D 82 1.885 -11.269 0.334 1.00 0.00 C ATOM 1236 O LEU D 82 2.882 -11.477 -0.361 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.017 -10.261 -0.941 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.025 -10.521 -2.063 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.328 -11.095 -3.285 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.137 -11.460 -1.637 1.00 0.00 C ATOM 0 H LEU D 82 -1.356 -11.400 0.750 1.00 0.00 H new ATOM 0 HA LEU D 82 0.593 -12.321 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -0.479 -9.609 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.835 -9.721 -1.354 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.472 -9.558 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -1.061 -11.273 -4.072 1.00 0.00 H new ATOM 0 HD12 LEU D 82 0.422 -10.389 -3.641 1.00 0.00 H new ATOM 0 HD13 LEU D 82 0.155 -12.035 -3.020 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -2.824 -11.611 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -1.710 -12.418 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -2.676 -11.027 -0.795 1.00 0.00 H new ATOM 1252 N ASN D 83 1.943 -10.910 1.624 1.00 0.00 N ATOM 1253 CA ASN D 83 3.212 -10.720 2.347 1.00 0.00 C ATOM 1254 C ASN D 83 4.190 -9.889 1.513 1.00 0.00 C ATOM 1255 O ASN D 83 5.225 -10.387 1.072 1.00 0.00 O ATOM 1256 CB ASN D 83 3.828 -12.089 2.697 1.00 0.00 C ATOM 1257 CG ASN D 83 5.076 -12.016 3.576 1.00 0.00 C ATOM 1258 OD1 ASN D 83 5.465 -10.821 4.002 1.00 0.00 O flip ATOM 1259 ND2 ASN D 83 5.681 -13.044 3.883 1.00 0.00 N flip ATOM 0 H ASN D 83 1.115 -10.743 2.196 1.00 0.00 H new ATOM 0 HA ASN D 83 3.010 -10.178 3.271 1.00 0.00 H new ATOM 0 HB2 ASN D 83 3.076 -12.692 3.205 1.00 0.00 H new ATOM 0 HB3 ASN D 83 4.080 -12.607 1.772 1.00 0.00 H new ATOM 0 HD21 ASN D 83 5.357 -13.948 3.540 1.00 0.00 H new ATOM 0 HD22 ASN D 83 6.506 -12.991 4.481 1.00 0.00 H new ATOM 1266 N ILE D 84 3.820 -8.651 1.225 1.00 0.00 N ATOM 1267 CA ILE D 84 4.636 -7.815 0.360 1.00 0.00 C ATOM 1268 C ILE D 84 5.725 -7.083 1.150 1.00 0.00 C ATOM 1269 O ILE D 84 5.496 -5.993 1.670 1.00 0.00 O ATOM 1270 CB ILE D 84 3.767 -6.789 -0.402 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.649 -7.495 -1.173 1.00 0.00 C ATOM 1272 CG2 ILE D 84 4.616 -5.971 -1.364 1.00 0.00 C ATOM 1273 CD1 ILE D 84 3.157 -8.460 -2.225 1.00 0.00 C ATOM 0 H ILE D 84 2.970 -8.207 1.573 1.00 0.00 H new ATOM 0 HA ILE D 84 5.117 -8.476 -0.361 1.00 0.00 H new ATOM 0 HB ILE D 84 3.322 -6.118 0.332 1.00 0.00 H new ATOM 0 HG12 ILE D 84 2.019 -8.037 -0.468 1.00 0.00 H new ATOM 0 HG13 ILE D 84 2.020 -6.745 -1.653 1.00 0.00 H new ATOM 0 HG21 ILE D 84 3.983 -5.255 -1.889 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.384 -5.435 -0.806 1.00 0.00 H new ATOM 0 HG23 ILE D 84 5.090 -6.636 -2.087 1.00 0.00 H new ATOM 0 HD11 ILE D 84 2.311 -8.924 -2.732 1.00 0.00 H new ATOM 0 HD12 ILE D 84 3.764 -7.920 -2.952 1.00 0.00 H new ATOM 0 HD13 ILE D 84 3.762 -9.231 -1.749 1.00 0.00 H new ATOM 1285 N LYS D 85 6.936 -7.644 1.146 1.00 0.00 N ATOM 1286 CA LYS D 85 8.092 -7.003 1.770 1.00 0.00 C ATOM 1287 C LYS D 85 9.382 -7.318 1.028 1.00 0.00 C ATOM 1288 O LYS D 85 10.063 -8.298 1.335 1.00 0.00 O ATOM 1289 CB LYS D 85 8.250 -7.413 3.235 1.00 0.00 C ATOM 1290 CG LYS D 85 7.257 -6.754 4.176 1.00 0.00 C ATOM 1291 CD LYS D 85 7.352 -5.234 4.110 1.00 0.00 C ATOM 1292 CE LYS D 85 8.756 -4.740 4.432 1.00 0.00 C ATOM 1293 NZ LYS D 85 8.863 -3.257 4.352 1.00 0.00 N1+ ATOM 0 H LYS D 85 7.141 -8.545 0.715 1.00 0.00 H new ATOM 0 HA LYS D 85 7.904 -5.931 1.719 1.00 0.00 H new ATOM 0 HB2 LYS D 85 8.143 -8.495 3.311 1.00 0.00 H new ATOM 0 HB3 LYS D 85 9.261 -7.169 3.562 1.00 0.00 H new ATOM 0 HG2 LYS D 85 6.246 -7.068 3.918 1.00 0.00 H new ATOM 0 HG3 LYS D 85 7.444 -7.088 5.197 1.00 0.00 H new ATOM 0 HD2 LYS D 85 7.067 -4.895 3.114 1.00 0.00 H new ATOM 0 HD3 LYS D 85 6.643 -4.795 4.811 1.00 0.00 H new ATOM 0 HE2 LYS D 85 9.034 -5.069 5.433 1.00 0.00 H new ATOM 0 HE3 LYS D 85 9.466 -5.192 3.739 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 9.835 -2.966 4.579 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 8.623 -2.943 3.390 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 8.205 -2.824 5.031 1.00 0.00 H new ATOM 1307 N GLY D 86 9.766 -6.417 0.140 1.00 0.00 N ATOM 1308 CA GLY D 86 11.038 -6.527 -0.542 1.00 0.00 C ATOM 1309 C GLY D 86 11.068 -7.602 -1.605 1.00 0.00 C ATOM 1310 O GLY D 86 10.350 -8.604 -1.519 1.00 0.00 O ATOM 0 H GLY D 86 9.213 -5.602 -0.124 1.00 0.00 H new ATOM 0 HA2 GLY D 86 11.278 -5.568 -1.001 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.817 -6.733 0.192 1.00 0.00 H new ATOM 1314 N PRO D 87 11.905 -7.415 -2.630 1.00 0.00 N ATOM 1315 CA PRO D 87 12.766 -6.239 -2.756 1.00 0.00 C ATOM 1316 C PRO D 87 12.093 -5.087 -3.526 1.00 0.00 C ATOM 1317 O PRO D 87 10.942 -5.218 -3.927 1.00 0.00 O ATOM 1318 CB PRO D 87 13.947 -6.816 -3.523 1.00 0.00 C ATOM 1319 CG PRO D 87 13.350 -7.837 -4.431 1.00 0.00 C ATOM 1320 CD PRO D 87 12.089 -8.343 -3.756 1.00 0.00 C ATOM 0 HA PRO D 87 13.026 -5.785 -1.800 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.469 -6.042 -4.086 1.00 0.00 H new ATOM 0 HB3 PRO D 87 14.676 -7.265 -2.848 1.00 0.00 H new ATOM 0 HG2 PRO D 87 13.119 -7.402 -5.403 1.00 0.00 H new ATOM 0 HG3 PRO D 87 14.049 -8.655 -4.606 1.00 0.00 H new ATOM 0 HD2 PRO D 87 11.236 -8.325 -4.434 1.00 0.00 H new ATOM 0 HD3 PRO D 87 12.202 -9.372 -3.414 1.00 0.00 H new ATOM 1328 N TYR D 88 12.832 -3.967 -3.671 1.00 0.00 N ATOM 1329 CA TYR D 88 12.381 -2.715 -4.343 1.00 0.00 C ATOM 1330 C TYR D 88 10.873 -2.626 -4.553 1.00 0.00 C ATOM 1331 O TYR D 88 10.355 -3.118 -5.552 1.00 0.00 O ATOM 1332 CB TYR D 88 13.076 -2.532 -5.702 1.00 0.00 C ATOM 1333 CG TYR D 88 14.583 -2.453 -5.620 1.00 0.00 C ATOM 1334 CD1 TYR D 88 15.253 -1.287 -5.954 1.00 0.00 C ATOM 1335 CD2 TYR D 88 15.330 -3.545 -5.224 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.629 -1.212 -5.888 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.705 -3.482 -5.153 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.351 -2.314 -5.484 1.00 0.00 C ATOM 1339 OH TYR D 88 18.721 -2.246 -5.413 1.00 0.00 O ATOM 0 H TYR D 88 13.786 -3.900 -3.317 1.00 0.00 H new ATOM 0 HA TYR D 88 12.663 -1.917 -3.656 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.802 -3.362 -6.353 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.700 -1.622 -6.170 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.689 -0.423 -6.271 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.827 -4.465 -4.965 1.00 0.00 H new ATOM 0 HE1 TYR D 88 17.137 -0.296 -6.151 1.00 0.00 H new ATOM 0 HE2 TYR D 88 17.272 -4.346 -4.839 1.00 0.00 H new ATOM 0 HH TYR D 88 19.076 -3.108 -5.110 1.00 0.00 H new ATOM 1349 N ILE D 89 10.177 -1.987 -3.623 1.00 0.00 N ATOM 1350 CA ILE D 89 8.728 -1.840 -3.723 1.00 0.00 C ATOM 1351 C ILE D 89 8.309 -0.401 -3.994 1.00 0.00 C ATOM 1352 O ILE D 89 8.718 0.527 -3.292 1.00 0.00 O ATOM 1353 CB ILE D 89 8.037 -2.340 -2.441 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.343 -3.824 -2.220 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.537 -2.151 -2.543 1.00 0.00 C ATOM 1356 CD1 ILE D 89 7.726 -4.367 -0.954 1.00 0.00 C ATOM 0 H ILE D 89 10.589 -1.562 -2.792 1.00 0.00 H new ATOM 0 HA ILE D 89 8.413 -2.449 -4.571 1.00 0.00 H new ATOM 0 HB ILE D 89 8.417 -1.761 -1.599 1.00 0.00 H new ATOM 0 HG12 ILE D 89 7.976 -4.397 -3.072 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.423 -3.966 -2.182 1.00 0.00 H new ATOM 0 HG21 ILE D 89 6.062 -2.509 -1.629 1.00 0.00 H new ATOM 0 HG22 ILE D 89 6.312 -1.093 -2.678 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.156 -2.715 -3.395 1.00 0.00 H new ATOM 0 HD11 ILE D 89 7.977 -5.423 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE D 89 8.112 -3.817 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE D 89 6.643 -4.254 -1.000 1.00 0.00 H new ATOM 1368 N GLU D 90 7.406 -0.246 -4.956 1.00 0.00 N ATOM 1369 CA GLU D 90 6.821 1.059 -5.261 1.00 0.00 C ATOM 1370 C GLU D 90 5.309 1.031 -5.049 1.00 0.00 C ATOM 1371 O GLU D 90 4.564 0.598 -5.923 1.00 0.00 O ATOM 1372 CB GLU D 90 7.111 1.463 -6.708 1.00 0.00 C ATOM 1373 CG GLU D 90 8.588 1.490 -7.062 1.00 0.00 C ATOM 1374 CD GLU D 90 8.811 1.793 -8.522 1.00 0.00 C ATOM 1375 OE1 GLU D 90 8.335 1.010 -9.368 1.00 0.00 O ATOM 1376 OE2 GLU D 90 9.452 2.813 -8.830 1.00 0.00 O1- ATOM 0 H GLU D 90 7.061 -1.008 -5.540 1.00 0.00 H new ATOM 0 HA GLU D 90 7.272 1.787 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU D 90 6.601 0.769 -7.376 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.687 2.451 -6.890 1.00 0.00 H new ATOM 0 HG2 GLU D 90 9.093 2.241 -6.454 1.00 0.00 H new ATOM 0 HG3 GLU D 90 9.037 0.527 -6.818 1.00 0.00 H new ATOM 1383 N ILE D 91 4.863 1.481 -3.890 1.00 0.00 N ATOM 1384 CA ILE D 91 3.441 1.497 -3.572 1.00 0.00 C ATOM 1385 C ILE D 91 2.908 2.928 -3.765 1.00 0.00 C ATOM 1386 O ILE D 91 3.232 3.816 -2.979 1.00 0.00 O ATOM 1387 CB ILE D 91 3.204 1.037 -2.107 1.00 0.00 C ATOM 1388 CG1 ILE D 91 4.167 -0.074 -1.721 1.00 0.00 C ATOM 1389 CG2 ILE D 91 1.797 0.496 -1.913 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.983 -0.544 -0.294 1.00 0.00 C ATOM 0 H ILE D 91 5.465 1.842 -3.150 1.00 0.00 H new ATOM 0 HA ILE D 91 2.914 0.809 -4.234 1.00 0.00 H new ATOM 0 HB ILE D 91 3.359 1.917 -1.483 1.00 0.00 H new ATOM 0 HG12 ILE D 91 4.029 -0.918 -2.397 1.00 0.00 H new ATOM 0 HG13 ILE D 91 5.190 0.277 -1.853 1.00 0.00 H new ATOM 0 HG21 ILE D 91 1.667 0.184 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE D 91 1.072 1.274 -2.151 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.642 -0.358 -2.572 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.698 -1.337 -0.077 1.00 0.00 H new ATOM 0 HD12 ILE D 91 4.148 0.290 0.388 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.970 -0.924 -0.164 1.00 0.00 H new ATOM 1402 N LYS D 92 2.067 3.138 -4.787 1.00 0.00 N ATOM 1403 CA LYS D 92 1.452 4.442 -5.060 1.00 0.00 C ATOM 1404 C LYS D 92 0.273 4.210 -6.006 1.00 0.00 C ATOM 1405 O LYS D 92 0.145 3.112 -6.555 1.00 0.00 O ATOM 1406 CB LYS D 92 2.464 5.419 -5.698 1.00 0.00 C ATOM 1407 CG LYS D 92 2.594 5.315 -7.221 1.00 0.00 C ATOM 1408 CD LYS D 92 2.972 3.923 -7.706 1.00 0.00 C ATOM 1409 CE LYS D 92 2.835 3.820 -9.218 1.00 0.00 C ATOM 1410 NZ LYS D 92 3.660 4.829 -9.931 1.00 0.00 N1+ ATOM 0 H LYS D 92 1.795 2.409 -5.446 1.00 0.00 H new ATOM 0 HA LYS D 92 1.117 4.893 -4.126 1.00 0.00 H new ATOM 0 HB2 LYS D 92 2.173 6.438 -5.442 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.444 5.246 -5.252 1.00 0.00 H new ATOM 0 HG2 LYS D 92 1.649 5.606 -7.679 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.346 6.026 -7.563 1.00 0.00 H new ATOM 0 HD2 LYS D 92 3.997 3.697 -7.413 1.00 0.00 H new ATOM 0 HD3 LYS D 92 2.333 3.181 -7.227 1.00 0.00 H new ATOM 0 HE2 LYS D 92 3.129 2.821 -9.540 1.00 0.00 H new ATOM 0 HE3 LYS D 92 1.789 3.949 -9.495 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 3.682 4.605 -10.946 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 3.248 5.774 -9.794 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 4.629 4.816 -9.552 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.532 5.229 -6.283 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.595 5.046 -7.262 1.00 0.00 C ATOM 1426 C GLN D 93 -1.067 5.190 -8.679 1.00 0.00 C ATOM 1427 O GLN D 93 0.100 5.509 -8.903 1.00 0.00 O ATOM 1428 CB GLN D 93 -2.766 5.990 -7.065 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.411 7.443 -7.262 1.00 0.00 C ATOM 1430 CD GLN D 93 -3.628 8.343 -7.233 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -4.537 8.197 -8.053 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -3.660 9.272 -6.292 1.00 0.00 N ATOM 0 H GLN D 93 -0.475 6.156 -5.862 1.00 0.00 H new ATOM 0 HA GLN D 93 -1.962 4.032 -7.104 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.560 5.721 -7.762 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.165 5.855 -6.060 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -1.715 7.753 -6.483 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -1.897 7.563 -8.215 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -2.886 9.358 -5.634 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -4.459 9.903 -6.225 1.00 0.00 H new ATOM 1441 N ILE D 94 -1.910 4.824 -9.622 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.536 4.755 -11.020 1.00 0.00 C ATOM 1443 C ILE D 94 -2.669 5.244 -11.912 1.00 0.00 C ATOM 1444 O ILE D 94 -2.650 4.936 -13.117 1.00 0.00 O ATOM 1445 CB ILE D 94 -1.188 3.315 -11.380 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.294 2.404 -10.871 1.00 0.00 C ATOM 1447 CG2 ILE D 94 0.156 2.910 -10.809 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -2.015 0.940 -11.044 1.00 0.00 C ATOM 1449 OXT ILE D 94 -3.573 5.925 -11.399 1.00 0.00 O ATOM 0 H ILE D 94 -2.879 4.564 -9.440 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.671 5.399 -11.180 1.00 0.00 H new ATOM 0 HB ILE D 94 -1.109 3.226 -12.463 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.459 2.608 -9.813 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -3.220 2.650 -11.391 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.372 1.878 -11.085 1.00 0.00 H new ATOM 0 HG22 ILE D 94 0.932 3.563 -11.208 1.00 0.00 H new ATOM 0 HG23 ILE D 94 0.131 2.998 -9.723 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -2.853 0.361 -10.655 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -1.881 0.718 -12.103 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -1.108 0.676 -10.500 1.00 0.00 H new TER 1461 ILE D 94