USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=39 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 130:sc= 0.139 USER MOD Set 1.2: D 74 ASN : amide:sc= 0.0771 K(o=0.22,f=-2.4) USER MOD Set 2.1: D 35 GLN :FLIP amide:sc= -0.0384 F(o=-3.2!,f=0.048) USER MOD Set 2.2: D 37 LYS NZ :NH3+ 154:sc= 0.0862 (180deg=0) USER MOD Set 3.1: D 17 ASN : amide:sc= -1.4 K(o=-1.6,f=-2.2!) USER MOD Set 3.2: D 28 SER OG : rot 180:sc= -0.186 USER MOD Set 4.1: D 21 ASN : amide:sc= -0.644 K(o=-2.3,f=-14!) USER MOD Set 4.2: D 26 LYS NZ :NH3+ -126:sc= -1.67! (180deg=-5.3!) USER MOD Set 5.1: D 15 SER OG : rot -60:sc= 0.628 USER MOD Set 5.2: D 19 LYS NZ :NH3+ 166:sc= 0.475 (180deg=-0.0332) USER MOD Single : D 1 ASP N :NH3+ 154:sc= 1.72 (180deg=1.37) USER MOD Single : D 2 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.27) USER MOD Single : D 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 4 LYS NZ :NH3+ 164:sc= -0.0598 (180deg=-0.403) USER MOD Single : D 9 GLN :FLIP amide:sc=-0.00456 F(o=-2!,f=-0.0046) USER MOD Single : D 10 MET CE :methyl 155:sc= -1.17 (180deg=-2.39!) USER MOD Single : D 11 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : D 12 SER OG : rot 180:sc= 0 USER MOD Single : D 14 ASN :FLIP amide:sc= -0.0249 F(o=-1.8!,f=-0.025) USER MOD Single : D 22 LYS NZ :NH3+ 170:sc= -0.0198 (180deg=-0.147) USER MOD Single : D 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 30 SER OG : rot 180:sc= 0 USER MOD Single : D 31 MET CE :methyl -139:sc= -0.759 (180deg=-2.65!) USER MOD Single : D 32 ASN : amide:sc= -0.0977 K(o=-0.098,f=-1.1) USER MOD Single : D 34 ASN :FLIP amide:sc=-0.00205 F(o=-2.3!,f=-0.002) USER MOD Single : D 39 THR OG1 : rot 180:sc= -3.2! USER MOD Single : D 40 SER OG : rot 34:sc= -3.22! USER MOD Single : D 41 SER OG : rot 180:sc= 0 USER MOD Single : D 42 ASN : amide:sc= -0.0614 X(o=-0.061,f=-0.019) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 180:sc= 0 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ -149:sc= 0.837 (180deg=-1.51!) USER MOD Single : D 53 ASN :FLIP amide:sc=-0.00101 F(o=-2.8!,f=-0.001) USER MOD Single : D 59 ASN :FLIP amide:sc= -2.24! F(o=-3.6,f=-2.2!) USER MOD Single : D 62 LYS NZ :NH3+ -146:sc= -1.98! (180deg=-4.52!) USER MOD Single : D 64 TYR OH : rot 180:sc= 0 USER MOD Single : D 65 THR OG1 : rot 150:sc= -2.05! USER MOD Single : D 67 ASN : amide:sc= -0.725! C(o=-0.72!,f=-9.3!) USER MOD Single : D 69 LYS NZ :NH3+ -139:sc= -2.54! (180deg=-5.17!) USER MOD Single : D 70 SER OG : rot 180:sc= 0 USER MOD Single : D 76 SER OG : rot -170:sc= 0 USER MOD Single : D 77 ASN :FLIP amide:sc= -0.687 F(o=-1.8,f=-0.69) USER MOD Single : D 80 ASN :FLIP amide:sc= -0.003 F(o=-1.6!,f=-0.003) USER MOD Single : D 81 LYS NZ :NH3+ -170:sc= -0.0175 (180deg=-0.137) USER MOD Single : D 83 ASN :FLIP amide:sc= -1.52 F(o=-5!,f=-1.5) 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+ -175:sc= 1.27 (180deg=0.983) USER MOD Single : D 93 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP D 1 15.052 9.786 -4.386 1.00 0.00 N ATOM 2 CA ASP D 1 15.589 9.425 -5.720 1.00 0.00 C ATOM 3 C ASP D 1 15.710 7.916 -5.859 1.00 0.00 C ATOM 4 O ASP D 1 15.416 7.175 -4.921 1.00 0.00 O ATOM 5 CB ASP D 1 16.951 10.098 -5.905 1.00 0.00 C ATOM 6 CG ASP D 1 16.849 11.604 -5.878 1.00 0.00 C ATOM 7 OD1 ASP D 1 16.376 12.152 -4.864 1.00 0.00 O ATOM 8 OD2 ASP D 1 17.234 12.244 -6.872 1.00 0.00 O1- ATOM 0 H1 ASP D 1 15.372 10.742 -4.130 1.00 0.00 H new ATOM 0 H2 ASP D 1 14.013 9.764 -4.413 1.00 0.00 H new ATOM 0 H3 ASP D 1 15.395 9.106 -3.678 1.00 0.00 H new ATOM 0 HA ASP D 1 14.905 9.773 -6.494 1.00 0.00 H new ATOM 0 HB2 ASP D 1 17.628 9.767 -5.118 1.00 0.00 H new ATOM 0 HB3 ASP D 1 17.385 9.781 -6.853 1.00 0.00 H new ATOM 13 N ASN D 2 16.062 7.463 -7.057 1.00 0.00 N ATOM 14 CA ASN D 2 16.118 6.033 -7.345 1.00 0.00 C ATOM 15 C ASN D 2 17.557 5.510 -7.287 1.00 0.00 C ATOM 16 O ASN D 2 17.806 4.322 -7.497 1.00 0.00 O ATOM 17 CB ASN D 2 15.505 5.764 -8.727 1.00 0.00 C ATOM 18 CG ASN D 2 15.381 4.286 -9.044 1.00 0.00 C ATOM 19 OD1 ASN D 2 14.704 3.545 -8.333 1.00 0.00 O ATOM 20 ND2 ASN D 2 16.035 3.850 -10.111 1.00 0.00 N ATOM 0 H ASN D 2 16.312 8.063 -7.843 1.00 0.00 H new ATOM 0 HA ASN D 2 15.544 5.503 -6.585 1.00 0.00 H new ATOM 0 HB2 ASN D 2 14.518 6.224 -8.776 1.00 0.00 H new ATOM 0 HB3 ASN D 2 16.119 6.243 -9.490 1.00 0.00 H new ATOM 0 HD21 ASN D 2 15.988 2.865 -10.370 1.00 0.00 H new ATOM 0 HD22 ASN D 2 16.585 4.500 -10.673 1.00 0.00 H new ATOM 27 N GLN D 3 18.503 6.399 -6.993 1.00 0.00 N ATOM 28 CA GLN D 3 19.913 6.019 -6.901 1.00 0.00 C ATOM 29 C GLN D 3 20.138 5.021 -5.766 1.00 0.00 C ATOM 30 O GLN D 3 20.407 3.844 -6.006 1.00 0.00 O ATOM 31 CB GLN D 3 20.785 7.263 -6.702 1.00 0.00 C ATOM 32 CG GLN D 3 22.270 6.961 -6.573 1.00 0.00 C ATOM 33 CD GLN D 3 23.104 8.218 -6.438 1.00 0.00 C ATOM 34 OE1 GLN D 3 23.124 9.057 -7.337 1.00 0.00 O ATOM 35 NE2 GLN D 3 23.792 8.362 -5.317 1.00 0.00 N ATOM 0 H GLN D 3 18.320 7.387 -6.814 1.00 0.00 H new ATOM 0 HA GLN D 3 20.198 5.536 -7.836 1.00 0.00 H new ATOM 0 HB2 GLN D 3 20.634 7.939 -7.543 1.00 0.00 H new ATOM 0 HB3 GLN D 3 20.452 7.789 -5.807 1.00 0.00 H new ATOM 0 HG2 GLN D 3 22.434 6.324 -5.704 1.00 0.00 H new ATOM 0 HG3 GLN D 3 22.601 6.400 -7.447 1.00 0.00 H new ATOM 0 HE21 GLN D 3 23.748 7.642 -4.596 1.00 0.00 H new ATOM 0 HE22 GLN D 3 24.366 9.193 -5.174 1.00 0.00 H new ATOM 44 N LYS D 4 19.971 5.482 -4.537 1.00 0.00 N ATOM 45 CA LYS D 4 20.097 4.610 -3.378 1.00 0.00 C ATOM 46 C LYS D 4 18.713 4.310 -2.813 1.00 0.00 C ATOM 47 O LYS D 4 18.507 3.289 -2.154 1.00 0.00 O ATOM 48 CB LYS D 4 20.996 5.260 -2.318 1.00 0.00 C ATOM 49 CG LYS D 4 21.267 4.378 -1.105 1.00 0.00 C ATOM 50 CD LYS D 4 22.178 5.070 -0.100 1.00 0.00 C ATOM 51 CE LYS D 4 22.492 4.164 1.083 1.00 0.00 C ATOM 52 NZ LYS D 4 23.143 2.896 0.651 1.00 0.00 N1+ ATOM 0 H LYS D 4 19.748 6.452 -4.315 1.00 0.00 H new ATOM 0 HA LYS D 4 20.561 3.671 -3.680 1.00 0.00 H new ATOM 0 HB2 LYS D 4 21.947 5.528 -2.779 1.00 0.00 H new ATOM 0 HB3 LYS D 4 20.532 6.187 -1.983 1.00 0.00 H new ATOM 0 HG2 LYS D 4 20.323 4.120 -0.624 1.00 0.00 H new ATOM 0 HG3 LYS D 4 21.725 3.444 -1.429 1.00 0.00 H new ATOM 0 HD2 LYS D 4 23.106 5.365 -0.591 1.00 0.00 H new ATOM 0 HD3 LYS D 4 21.702 5.983 0.256 1.00 0.00 H new ATOM 0 HE2 LYS D 4 23.146 4.689 1.780 1.00 0.00 H new ATOM 0 HE3 LYS D 4 21.572 3.935 1.620 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 23.582 2.434 1.473 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 22.429 2.263 0.238 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 23.873 3.105 -0.060 1.00 0.00 H new ATOM 66 N ALA D 5 17.759 5.191 -3.128 1.00 0.00 N ATOM 67 CA ALA D 5 16.363 5.037 -2.720 1.00 0.00 C ATOM 68 C ALA D 5 16.224 4.981 -1.202 1.00 0.00 C ATOM 69 O ALA D 5 15.673 4.025 -0.651 1.00 0.00 O ATOM 70 CB ALA D 5 15.745 3.801 -3.364 1.00 0.00 C ATOM 0 H ALA D 5 17.936 6.033 -3.675 1.00 0.00 H new ATOM 0 HA ALA D 5 15.820 5.916 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA D 5 14.707 3.706 -3.047 1.00 0.00 H new ATOM 0 HB2 ALA D 5 15.785 3.897 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA D 5 16.301 2.915 -3.057 1.00 0.00 H new ATOM 76 N LEU D 6 16.703 6.023 -0.532 1.00 0.00 N ATOM 77 CA LEU D 6 16.609 6.108 0.922 1.00 0.00 C ATOM 78 C LEU D 6 15.167 6.345 1.340 1.00 0.00 C ATOM 79 O LEU D 6 14.724 5.889 2.396 1.00 0.00 O ATOM 80 CB LEU D 6 17.473 7.253 1.482 1.00 0.00 C ATOM 81 CG LEU D 6 18.981 7.198 1.191 1.00 0.00 C ATOM 82 CD1 LEU D 6 19.273 7.442 -0.279 1.00 0.00 C ATOM 83 CD2 LEU D 6 19.719 8.213 2.045 1.00 0.00 C ATOM 0 H LEU D 6 17.161 6.821 -0.972 1.00 0.00 H new ATOM 0 HA LEU D 6 16.972 5.162 1.324 1.00 0.00 H new ATOM 0 HB2 LEU D 6 17.086 8.193 1.088 1.00 0.00 H new ATOM 0 HB3 LEU D 6 17.338 7.281 2.563 1.00 0.00 H new ATOM 0 HG LEU D 6 19.331 6.197 1.441 1.00 0.00 H new ATOM 0 HD11 LEU D 6 20.349 7.396 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU D 6 18.778 6.679 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU D 6 18.902 8.426 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU D 6 20.786 8.163 1.829 1.00 0.00 H new ATOM 0 HD22 LEU D 6 19.350 9.214 1.821 1.00 0.00 H new ATOM 0 HD23 LEU D 6 19.552 7.992 3.099 1.00 0.00 H new ATOM 95 N GLU D 7 14.478 7.154 0.547 1.00 0.00 N ATOM 96 CA GLU D 7 13.122 7.588 0.853 1.00 0.00 C ATOM 97 C GLU D 7 12.119 6.438 0.918 1.00 0.00 C ATOM 98 O GLU D 7 11.035 6.608 1.477 1.00 0.00 O ATOM 99 CB GLU D 7 12.674 8.627 -0.177 1.00 0.00 C ATOM 100 CG GLU D 7 12.795 8.159 -1.620 1.00 0.00 C ATOM 101 CD GLU D 7 12.399 9.227 -2.613 1.00 0.00 C ATOM 102 OE1 GLU D 7 12.484 8.967 -3.825 1.00 0.00 O ATOM 103 OE2 GLU D 7 12.005 10.330 -2.185 1.00 0.00 O1- ATOM 0 H GLU D 7 14.844 7.528 -0.328 1.00 0.00 H new ATOM 0 HA GLU D 7 13.144 8.029 1.850 1.00 0.00 H new ATOM 0 HB2 GLU D 7 11.637 8.896 0.021 1.00 0.00 H new ATOM 0 HB3 GLU D 7 13.268 9.531 -0.048 1.00 0.00 H new ATOM 0 HG2 GLU D 7 13.823 7.852 -1.813 1.00 0.00 H new ATOM 0 HG3 GLU D 7 12.167 7.281 -1.767 1.00 0.00 H new ATOM 110 N GLU D 8 12.468 5.265 0.381 1.00 0.00 N ATOM 111 CA GLU D 8 11.559 4.134 0.431 1.00 0.00 C ATOM 112 C GLU D 8 11.412 3.615 1.852 1.00 0.00 C ATOM 113 O GLU D 8 10.375 3.069 2.219 1.00 0.00 O ATOM 114 CB GLU D 8 12.019 3.005 -0.487 1.00 0.00 C ATOM 115 CG GLU D 8 12.064 3.376 -1.955 1.00 0.00 C ATOM 116 CD GLU D 8 12.403 2.190 -2.823 1.00 0.00 C ATOM 117 OE1 GLU D 8 13.465 1.582 -2.605 1.00 0.00 O ATOM 118 OE2 GLU D 8 11.601 1.855 -3.715 1.00 0.00 O1- ATOM 0 H GLU D 8 13.358 5.083 -0.083 1.00 0.00 H new ATOM 0 HA GLU D 8 10.589 4.487 0.082 1.00 0.00 H new ATOM 0 HB2 GLU D 8 13.012 2.681 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU D 8 11.351 2.153 -0.360 1.00 0.00 H new ATOM 0 HG2 GLU D 8 11.099 3.783 -2.257 1.00 0.00 H new ATOM 0 HG3 GLU D 8 12.803 4.162 -2.109 1.00 0.00 H new ATOM 125 N GLN D 9 12.465 3.759 2.639 1.00 0.00 N ATOM 126 CA GLN D 9 12.452 3.267 4.006 1.00 0.00 C ATOM 127 C GLN D 9 12.091 4.397 4.962 1.00 0.00 C ATOM 128 O GLN D 9 12.102 4.222 6.180 1.00 0.00 O ATOM 129 CB GLN D 9 13.833 2.712 4.374 1.00 0.00 C ATOM 130 CG GLN D 9 14.466 1.862 3.280 1.00 0.00 C ATOM 131 CD GLN D 9 13.577 0.733 2.809 1.00 0.00 C ATOM 132 OE1 GLN D 9 13.162 0.807 1.551 1.00 0.00 O flip ATOM 133 NE2 GLN D 9 13.247 -0.177 3.569 1.00 0.00 N flip ATOM 0 H GLN D 9 13.335 4.210 2.357 1.00 0.00 H new ATOM 0 HA GLN D 9 11.709 2.474 4.087 1.00 0.00 H new ATOM 0 HB2 GLN D 9 14.498 3.544 4.606 1.00 0.00 H new ATOM 0 HB3 GLN D 9 13.744 2.113 5.280 1.00 0.00 H new ATOM 0 HG2 GLN D 9 14.712 2.500 2.431 1.00 0.00 H new ATOM 0 HG3 GLN D 9 15.404 1.447 3.649 1.00 0.00 H new ATOM 0 HE21 GLN D 9 13.592 -0.191 4.529 1.00 0.00 H new ATOM 0 HE22 GLN D 9 12.628 -0.918 3.239 1.00 0.00 H new ATOM 142 N MET D 10 11.898 5.588 4.406 1.00 0.00 N ATOM 143 CA MET D 10 11.687 6.777 5.226 1.00 0.00 C ATOM 144 C MET D 10 10.251 7.275 5.164 1.00 0.00 C ATOM 145 O MET D 10 9.488 7.119 6.115 1.00 0.00 O ATOM 146 CB MET D 10 12.655 7.887 4.814 1.00 0.00 C ATOM 147 CG MET D 10 14.114 7.510 5.006 1.00 0.00 C ATOM 148 SD MET D 10 15.241 8.838 4.551 1.00 0.00 S ATOM 149 CE MET D 10 16.819 8.073 4.912 1.00 0.00 C ATOM 0 H MET D 10 11.883 5.756 3.400 1.00 0.00 H new ATOM 0 HA MET D 10 11.884 6.494 6.260 1.00 0.00 H new ATOM 0 HB2 MET D 10 12.486 8.138 3.767 1.00 0.00 H new ATOM 0 HB3 MET D 10 12.438 8.783 5.395 1.00 0.00 H new ATOM 0 HG2 MET D 10 14.281 7.239 6.049 1.00 0.00 H new ATOM 0 HG3 MET D 10 14.339 6.627 4.407 1.00 0.00 H new ATOM 0 HE1 MET D 10 17.596 8.538 4.305 1.00 0.00 H new ATOM 0 HE2 MET D 10 17.055 8.207 5.968 1.00 0.00 H new ATOM 0 HE3 MET D 10 16.768 7.008 4.683 1.00 0.00 H new ATOM 159 N ASN D 11 9.880 7.847 4.026 1.00 0.00 N ATOM 160 CA ASN D 11 8.525 8.340 3.828 1.00 0.00 C ATOM 161 C ASN D 11 7.682 7.296 3.192 1.00 0.00 C ATOM 162 O ASN D 11 6.588 7.042 3.630 1.00 0.00 O ATOM 163 CB ASN D 11 8.483 9.561 2.923 1.00 0.00 C ATOM 164 CG ASN D 11 8.948 10.824 3.610 1.00 0.00 C ATOM 165 OD1 ASN D 11 8.366 11.250 4.607 1.00 0.00 O ATOM 166 ND2 ASN D 11 9.999 11.431 3.082 1.00 0.00 N ATOM 0 H ASN D 11 10.499 7.981 3.226 1.00 0.00 H new ATOM 0 HA ASN D 11 8.151 8.606 4.817 1.00 0.00 H new ATOM 0 HB2 ASN D 11 9.107 9.379 2.048 1.00 0.00 H new ATOM 0 HB3 ASN D 11 7.464 9.704 2.563 1.00 0.00 H new ATOM 0 HD21 ASN D 11 10.358 12.288 3.503 1.00 0.00 H new ATOM 0 HD22 ASN D 11 10.450 11.042 2.254 1.00 0.00 H new ATOM 173 N SER D 12 8.175 6.823 2.072 1.00 0.00 N ATOM 174 CA SER D 12 7.477 5.915 1.183 1.00 0.00 C ATOM 175 C SER D 12 6.375 5.088 1.846 1.00 0.00 C ATOM 176 O SER D 12 5.222 5.116 1.425 1.00 0.00 O ATOM 177 CB SER D 12 8.522 4.971 0.614 1.00 0.00 C ATOM 178 OG SER D 12 7.945 3.957 -0.194 1.00 0.00 O ATOM 0 H SER D 12 9.108 7.067 1.739 1.00 0.00 H new ATOM 0 HA SER D 12 6.973 6.518 0.428 1.00 0.00 H new ATOM 0 HB2 SER D 12 9.240 5.540 0.023 1.00 0.00 H new ATOM 0 HB3 SER D 12 9.077 4.510 1.431 1.00 0.00 H new ATOM 0 HG SER D 12 8.652 3.373 -0.541 1.00 0.00 H new ATOM 184 N ILE D 13 6.782 4.239 2.766 1.00 0.00 N ATOM 185 CA ILE D 13 5.899 3.251 3.364 1.00 0.00 C ATOM 186 C ILE D 13 5.121 3.837 4.539 1.00 0.00 C ATOM 187 O ILE D 13 4.146 3.269 5.011 1.00 0.00 O ATOM 188 CB ILE D 13 6.746 2.059 3.803 1.00 0.00 C ATOM 189 CG1 ILE D 13 7.493 1.534 2.594 1.00 0.00 C ATOM 190 CG2 ILE D 13 5.911 0.959 4.449 1.00 0.00 C ATOM 191 CD1 ILE D 13 8.414 0.373 2.901 1.00 0.00 C ATOM 0 H ILE D 13 7.737 4.212 3.124 1.00 0.00 H new ATOM 0 HA ILE D 13 5.159 2.930 2.631 1.00 0.00 H new ATOM 0 HB ILE D 13 7.449 2.391 4.567 1.00 0.00 H new ATOM 0 HG12 ILE D 13 6.771 1.223 1.839 1.00 0.00 H new ATOM 0 HG13 ILE D 13 8.078 2.345 2.160 1.00 0.00 H new ATOM 0 HG21 ILE D 13 6.560 0.134 4.743 1.00 0.00 H new ATOM 0 HG22 ILE D 13 5.406 1.355 5.330 1.00 0.00 H new ATOM 0 HG23 ILE D 13 5.169 0.600 3.736 1.00 0.00 H new ATOM 0 HD11 ILE D 13 8.913 0.053 1.986 1.00 0.00 H new ATOM 0 HD12 ILE D 13 9.160 0.684 3.632 1.00 0.00 H new ATOM 0 HD13 ILE D 13 7.833 -0.455 3.306 1.00 0.00 H new ATOM 203 N ASN D 14 5.492 5.034 4.921 1.00 0.00 N ATOM 204 CA ASN D 14 4.743 5.780 5.941 1.00 0.00 C ATOM 205 C ASN D 14 3.688 6.667 5.279 1.00 0.00 C ATOM 206 O ASN D 14 2.508 6.656 5.648 1.00 0.00 O ATOM 207 CB ASN D 14 5.678 6.641 6.795 1.00 0.00 C ATOM 208 CG ASN D 14 6.662 5.829 7.618 1.00 0.00 C ATOM 209 OD1 ASN D 14 6.553 4.508 7.561 1.00 0.00 O flip ATOM 210 ND2 ASN D 14 7.507 6.392 8.317 1.00 0.00 N flip ATOM 0 H ASN D 14 6.305 5.525 4.550 1.00 0.00 H new ATOM 0 HA ASN D 14 4.252 5.056 6.591 1.00 0.00 H new ATOM 0 HB2 ASN D 14 6.232 7.318 6.144 1.00 0.00 H new ATOM 0 HB3 ASN D 14 5.080 7.260 7.464 1.00 0.00 H new ATOM 0 HD21 ASN D 14 7.559 7.411 8.334 1.00 0.00 H new ATOM 0 HD22 ASN D 14 8.155 5.839 8.879 1.00 0.00 H new ATOM 217 N SER D 15 4.107 7.381 4.247 1.00 0.00 N ATOM 218 CA SER D 15 3.209 8.208 3.471 1.00 0.00 C ATOM 219 C SER D 15 2.272 7.328 2.658 1.00 0.00 C ATOM 220 O SER D 15 1.226 7.777 2.207 1.00 0.00 O ATOM 221 CB SER D 15 3.991 9.126 2.537 1.00 0.00 C ATOM 222 OG SER D 15 4.734 8.372 1.590 1.00 0.00 O ATOM 0 H SER D 15 5.076 7.401 3.928 1.00 0.00 H new ATOM 0 HA SER D 15 2.628 8.824 4.157 1.00 0.00 H new ATOM 0 HB2 SER D 15 3.304 9.794 2.017 1.00 0.00 H new ATOM 0 HB3 SER D 15 4.666 9.753 3.119 1.00 0.00 H new ATOM 0 HG SER D 15 5.364 7.787 2.060 1.00 0.00 H new ATOM 228 N VAL D 16 2.657 6.059 2.481 1.00 0.00 N ATOM 229 CA VAL D 16 1.845 5.104 1.731 1.00 0.00 C ATOM 230 C VAL D 16 0.515 4.936 2.444 1.00 0.00 C ATOM 231 O VAL D 16 -0.518 4.715 1.823 1.00 0.00 O ATOM 232 CB VAL D 16 2.549 3.723 1.622 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.276 2.841 2.833 1.00 0.00 C ATOM 234 CG2 VAL D 16 2.178 2.993 0.354 1.00 0.00 C ATOM 0 H VAL D 16 3.527 5.673 2.848 1.00 0.00 H new ATOM 0 HA VAL D 16 1.698 5.486 0.721 1.00 0.00 H new ATOM 0 HB VAL D 16 3.618 3.935 1.591 1.00 0.00 H new ATOM 0 HG11 VAL D 16 2.789 1.887 2.711 1.00 0.00 H new ATOM 0 HG12 VAL D 16 2.640 3.336 3.733 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.204 2.668 2.923 1.00 0.00 H new ATOM 0 HG21 VAL D 16 2.694 2.033 0.322 1.00 0.00 H new ATOM 0 HG22 VAL D 16 1.101 2.827 0.332 1.00 0.00 H new ATOM 0 HG23 VAL D 16 2.471 3.591 -0.509 1.00 0.00 H new ATOM 244 N ASN D 17 0.553 5.156 3.752 1.00 0.00 N ATOM 245 CA ASN D 17 -0.636 5.139 4.577 1.00 0.00 C ATOM 246 C ASN D 17 -1.479 6.337 4.241 1.00 0.00 C ATOM 247 O ASN D 17 -2.670 6.231 4.087 1.00 0.00 O ATOM 248 CB ASN D 17 -0.279 5.176 6.064 1.00 0.00 C ATOM 249 CG ASN D 17 0.556 3.996 6.513 1.00 0.00 C ATOM 250 OD1 ASN D 17 1.629 3.738 5.977 1.00 0.00 O ATOM 251 ND2 ASN D 17 0.083 3.291 7.523 1.00 0.00 N ATOM 0 H ASN D 17 1.412 5.351 4.266 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.183 4.217 4.379 1.00 0.00 H new ATOM 0 HB2 ASN D 17 0.264 6.097 6.277 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.198 5.205 6.650 1.00 0.00 H new ATOM 0 HD21 ASN D 17 0.614 2.499 7.885 1.00 0.00 H new ATOM 0 HD22 ASN D 17 -0.814 3.538 7.942 1.00 0.00 H new ATOM 258 N ASP D 18 -0.827 7.468 4.055 1.00 0.00 N ATOM 259 CA ASP D 18 -1.501 8.690 3.647 1.00 0.00 C ATOM 260 C ASP D 18 -2.178 8.568 2.278 1.00 0.00 C ATOM 261 O ASP D 18 -3.033 9.382 1.926 1.00 0.00 O ATOM 262 CB ASP D 18 -0.497 9.827 3.616 1.00 0.00 C ATOM 263 CG ASP D 18 -0.032 10.219 4.992 1.00 0.00 C ATOM 264 OD1 ASP D 18 -0.882 10.607 5.816 1.00 0.00 O ATOM 265 OD2 ASP D 18 1.183 10.144 5.251 1.00 0.00 O1- ATOM 0 H ASP D 18 0.180 7.568 4.181 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.287 8.886 4.376 1.00 0.00 H new ATOM 0 HB2 ASP D 18 0.363 9.532 3.015 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -0.946 10.692 3.127 1.00 0.00 H new ATOM 270 N LYS D 19 -1.825 7.529 1.536 1.00 0.00 N ATOM 271 CA LYS D 19 -2.421 7.258 0.231 1.00 0.00 C ATOM 272 C LYS D 19 -3.666 6.423 0.391 1.00 0.00 C ATOM 273 O LYS D 19 -4.481 6.308 -0.522 1.00 0.00 O ATOM 274 CB LYS D 19 -1.441 6.470 -0.639 1.00 0.00 C ATOM 275 CG LYS D 19 -0.787 7.249 -1.772 1.00 0.00 C ATOM 276 CD LYS D 19 0.255 8.234 -1.289 1.00 0.00 C ATOM 277 CE LYS D 19 1.468 7.544 -0.680 1.00 0.00 C ATOM 278 NZ LYS D 19 2.554 8.515 -0.367 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.119 6.849 1.819 1.00 0.00 H new ATOM 0 HA LYS D 19 -2.662 8.213 -0.235 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -0.656 6.070 0.002 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -1.969 5.617 -1.067 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -0.322 6.549 -2.466 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -1.556 7.786 -2.328 1.00 0.00 H new ATOM 0 HD2 LYS D 19 0.576 8.857 -2.123 1.00 0.00 H new ATOM 0 HD3 LYS D 19 -0.192 8.898 -0.549 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.172 7.023 0.231 1.00 0.00 H new ATOM 0 HE3 LYS D 19 1.843 6.789 -1.371 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 3.256 8.063 0.253 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 3.014 8.817 -1.249 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 2.150 9.344 0.114 1.00 0.00 H new ATOM 292 N LEU D 20 -3.660 5.677 1.464 1.00 0.00 N ATOM 293 CA LEU D 20 -4.623 4.629 1.695 1.00 0.00 C ATOM 294 C LEU D 20 -5.636 5.057 2.742 1.00 0.00 C ATOM 295 O LEU D 20 -6.799 4.661 2.730 1.00 0.00 O ATOM 296 CB LEU D 20 -3.843 3.437 2.218 1.00 0.00 C ATOM 297 CG LEU D 20 -2.732 2.938 1.296 1.00 0.00 C ATOM 298 CD1 LEU D 20 -1.966 1.799 1.939 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.301 2.509 -0.045 1.00 0.00 C ATOM 0 H LEU D 20 -2.977 5.781 2.214 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.163 4.395 0.778 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.404 3.702 3.180 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -4.539 2.618 2.400 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.038 3.761 1.128 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.181 1.461 1.263 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.519 2.142 2.872 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -2.647 0.973 2.145 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -2.494 2.157 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.021 1.705 0.106 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -3.797 3.357 -0.518 1.00 0.00 H new ATOM 311 N ASN D 21 -5.113 5.753 3.725 1.00 0.00 N ATOM 312 CA ASN D 21 -5.841 6.140 4.909 1.00 0.00 C ATOM 313 C ASN D 21 -6.527 7.469 4.635 1.00 0.00 C ATOM 314 O ASN D 21 -5.855 8.501 4.621 1.00 0.00 O ATOM 315 CB ASN D 21 -4.832 6.284 6.051 1.00 0.00 C ATOM 316 CG ASN D 21 -5.351 5.791 7.377 1.00 0.00 C ATOM 317 OD1 ASN D 21 -6.333 6.306 7.908 1.00 0.00 O ATOM 318 ND2 ASN D 21 -4.691 4.762 7.900 1.00 0.00 N ATOM 0 H ASN D 21 -4.145 6.073 3.722 1.00 0.00 H new ATOM 0 HA ASN D 21 -6.595 5.400 5.178 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -3.926 5.733 5.797 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -4.551 7.333 6.147 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -4.994 4.360 8.787 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -3.882 4.375 7.414 1.00 0.00 H new ATOM 325 N LYS D 22 -7.749 7.419 4.108 1.00 0.00 N ATOM 326 CA LYS D 22 -8.297 8.630 3.487 1.00 0.00 C ATOM 327 C LYS D 22 -9.594 9.142 4.111 1.00 0.00 C ATOM 328 O LYS D 22 -9.753 10.349 4.284 1.00 0.00 O ATOM 329 CB LYS D 22 -8.473 8.391 1.986 1.00 0.00 C ATOM 330 CG LYS D 22 -7.147 8.145 1.273 1.00 0.00 C ATOM 331 CD LYS D 22 -7.325 7.866 -0.212 1.00 0.00 C ATOM 332 CE LYS D 22 -8.046 9.002 -0.918 1.00 0.00 C ATOM 333 NZ LYS D 22 -7.329 10.297 -0.769 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.355 6.599 4.095 1.00 0.00 H new ATOM 0 HA LYS D 22 -7.572 9.423 3.670 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -9.129 7.534 1.833 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -8.967 9.254 1.540 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -6.503 9.015 1.401 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -6.639 7.301 1.739 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -6.349 7.713 -0.673 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -7.887 6.942 -0.343 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -8.148 8.764 -1.977 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -9.054 9.098 -0.515 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -7.756 11.005 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -7.401 10.622 0.216 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -6.328 10.170 -1.019 1.00 0.00 H new ATOM 347 N GLY D 23 -10.528 8.264 4.439 1.00 0.00 N ATOM 348 CA GLY D 23 -11.765 8.727 5.012 1.00 0.00 C ATOM 349 C GLY D 23 -12.736 7.612 5.297 1.00 0.00 C ATOM 350 O GLY D 23 -12.720 7.050 6.395 1.00 0.00 O ATOM 0 H GLY D 23 -10.451 7.254 4.320 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -11.552 9.261 5.938 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -12.229 9.441 4.331 1.00 0.00 H new ATOM 354 N LYS D 24 -13.560 7.279 4.300 1.00 0.00 N ATOM 355 CA LYS D 24 -14.531 6.192 4.414 1.00 0.00 C ATOM 356 C LYS D 24 -13.817 4.953 4.913 1.00 0.00 C ATOM 357 O LYS D 24 -13.987 4.535 6.056 1.00 0.00 O ATOM 358 CB LYS D 24 -15.176 5.926 3.047 1.00 0.00 C ATOM 359 CG LYS D 24 -16.336 4.942 3.060 1.00 0.00 C ATOM 360 CD LYS D 24 -17.527 5.510 3.813 1.00 0.00 C ATOM 361 CE LYS D 24 -18.781 4.683 3.580 1.00 0.00 C ATOM 362 NZ LYS D 24 -19.943 5.217 4.338 1.00 0.00 N1+ ATOM 0 H LYS D 24 -13.572 7.753 3.397 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.318 6.465 5.117 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -15.528 6.873 2.639 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.410 5.551 2.368 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -16.628 4.706 2.037 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -16.020 4.008 3.525 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -17.303 5.541 4.879 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -17.703 6.537 3.495 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -19.016 4.671 2.516 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -18.596 3.651 3.877 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -20.779 4.627 4.153 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -19.729 5.205 5.356 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -20.135 6.193 4.036 1.00 0.00 H new ATOM 376 N GLY D 25 -12.895 4.482 4.104 1.00 0.00 N ATOM 377 CA GLY D 25 -12.018 3.431 4.521 1.00 0.00 C ATOM 378 C GLY D 25 -10.583 3.799 4.299 1.00 0.00 C ATOM 379 O GLY D 25 -10.278 4.841 3.712 1.00 0.00 O ATOM 0 H GLY D 25 -12.739 4.816 3.153 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.181 3.216 5.577 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.251 2.520 3.970 1.00 0.00 H new ATOM 383 N LYS D 26 -9.720 3.073 4.964 1.00 0.00 N ATOM 384 CA LYS D 26 -8.330 3.431 5.048 1.00 0.00 C ATOM 385 C LYS D 26 -7.462 2.202 5.177 1.00 0.00 C ATOM 386 O LYS D 26 -7.948 1.130 5.529 1.00 0.00 O ATOM 387 CB LYS D 26 -8.182 4.340 6.232 1.00 0.00 C ATOM 388 CG LYS D 26 -9.125 3.939 7.319 1.00 0.00 C ATOM 389 CD LYS D 26 -9.283 5.003 8.398 1.00 0.00 C ATOM 390 CE LYS D 26 -9.848 6.307 7.848 1.00 0.00 C ATOM 391 NZ LYS D 26 -8.825 7.113 7.131 1.00 0.00 N1+ ATOM 0 H LYS D 26 -9.963 2.217 5.462 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.004 3.939 4.140 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.157 4.304 6.600 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.378 5.370 5.934 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -10.101 3.724 6.884 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.770 3.016 7.777 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -9.940 4.627 9.182 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.314 5.196 8.859 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -10.672 6.085 7.170 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -10.260 6.895 8.668 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -8.795 8.072 7.532 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -7.893 6.664 7.237 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -9.070 7.167 6.122 1.00 0.00 H new ATOM 405 N LEU D 27 -6.190 2.350 4.870 1.00 0.00 N ATOM 406 CA LEU D 27 -5.271 1.237 4.930 1.00 0.00 C ATOM 407 C LEU D 27 -3.935 1.656 5.535 1.00 0.00 C ATOM 408 O LEU D 27 -3.478 2.786 5.351 1.00 0.00 O ATOM 409 CB LEU D 27 -5.100 0.653 3.539 1.00 0.00 C ATOM 410 CG LEU D 27 -4.068 -0.465 3.406 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.417 -1.641 4.306 1.00 0.00 C ATOM 412 CD2 LEU D 27 -3.972 -0.927 1.962 1.00 0.00 C ATOM 0 H LEU D 27 -5.770 3.232 4.576 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.682 0.467 5.584 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.065 0.272 3.205 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -4.823 1.459 2.859 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.102 -0.069 3.718 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.666 -2.422 4.191 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.441 -1.310 5.344 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.395 -2.034 4.028 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.233 -1.724 1.883 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -4.943 -1.299 1.634 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.672 -0.090 1.331 1.00 0.00 H new ATOM 424 N SER D 28 -3.347 0.753 6.298 1.00 0.00 N ATOM 425 CA SER D 28 -2.099 1.001 6.992 1.00 0.00 C ATOM 426 C SER D 28 -1.146 -0.149 6.711 1.00 0.00 C ATOM 427 O SER D 28 -1.567 -1.304 6.744 1.00 0.00 O ATOM 428 CB SER D 28 -2.358 1.075 8.496 1.00 0.00 C ATOM 429 OG SER D 28 -1.187 1.430 9.215 1.00 0.00 O ATOM 0 H SER D 28 -3.726 -0.181 6.454 1.00 0.00 H new ATOM 0 HA SER D 28 -1.667 1.941 6.649 1.00 0.00 H new ATOM 0 HB2 SER D 28 -3.142 1.806 8.694 1.00 0.00 H new ATOM 0 HB3 SER D 28 -2.724 0.111 8.850 1.00 0.00 H new ATOM 0 HG SER D 28 -1.391 1.469 10.173 1.00 0.00 H new ATOM 435 N LEU D 29 0.122 0.136 6.437 1.00 0.00 N ATOM 436 CA LEU D 29 1.063 -0.942 6.165 1.00 0.00 C ATOM 437 C LEU D 29 2.354 -0.763 6.956 1.00 0.00 C ATOM 438 O LEU D 29 2.940 0.317 6.963 1.00 0.00 O ATOM 439 CB LEU D 29 1.397 -1.012 4.684 1.00 0.00 C ATOM 440 CG LEU D 29 0.195 -0.925 3.754 1.00 0.00 C ATOM 441 CD1 LEU D 29 0.646 -0.676 2.326 1.00 0.00 C ATOM 442 CD2 LEU D 29 -0.618 -2.199 3.815 1.00 0.00 C ATOM 0 H LEU D 29 0.514 1.077 6.398 1.00 0.00 H new ATOM 0 HA LEU D 29 0.582 -1.870 6.473 1.00 0.00 H new ATOM 0 HB2 LEU D 29 2.085 -0.202 4.442 1.00 0.00 H new ATOM 0 HB3 LEU D 29 1.923 -1.946 4.488 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.427 -0.092 4.082 1.00 0.00 H new ATOM 0 HD11 LEU D 29 -0.226 -0.617 1.674 1.00 0.00 H new ATOM 0 HD12 LEU D 29 1.200 0.262 2.278 1.00 0.00 H new ATOM 0 HD13 LEU D 29 1.288 -1.494 1.999 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -1.473 -2.118 3.144 1.00 0.00 H new ATOM 0 HD22 LEU D 29 0.003 -3.042 3.511 1.00 0.00 H new ATOM 0 HD23 LEU D 29 -0.971 -2.357 4.834 1.00 0.00 H new ATOM 454 N SER D 30 2.832 -1.844 7.550 1.00 0.00 N ATOM 455 CA SER D 30 4.099 -1.835 8.266 1.00 0.00 C ATOM 456 C SER D 30 4.839 -3.148 8.035 1.00 0.00 C ATOM 457 O SER D 30 4.414 -3.975 7.229 1.00 0.00 O ATOM 458 CB SER D 30 3.870 -1.616 9.765 1.00 0.00 C ATOM 459 OG SER D 30 3.239 -0.368 10.012 1.00 0.00 O ATOM 0 H SER D 30 2.357 -2.747 7.550 1.00 0.00 H new ATOM 0 HA SER D 30 4.706 -1.013 7.886 1.00 0.00 H new ATOM 0 HB2 SER D 30 3.254 -2.423 10.163 1.00 0.00 H new ATOM 0 HB3 SER D 30 4.824 -1.654 10.291 1.00 0.00 H new ATOM 0 HG SER D 30 3.104 -0.255 10.976 1.00 0.00 H new ATOM 465 N MET D 31 5.931 -3.344 8.759 1.00 0.00 N ATOM 466 CA MET D 31 6.714 -4.565 8.652 1.00 0.00 C ATOM 467 C MET D 31 7.174 -5.013 10.021 1.00 0.00 C ATOM 468 O MET D 31 7.217 -4.226 10.964 1.00 0.00 O ATOM 469 CB MET D 31 7.928 -4.379 7.727 1.00 0.00 C ATOM 470 CG MET D 31 8.925 -3.314 8.182 1.00 0.00 C ATOM 471 SD MET D 31 8.252 -1.640 8.154 1.00 0.00 S ATOM 472 CE MET D 31 7.870 -1.458 6.414 1.00 0.00 C ATOM 0 H MET D 31 6.296 -2.669 9.430 1.00 0.00 H new ATOM 0 HA MET D 31 6.073 -5.332 8.217 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.450 -5.332 7.641 1.00 0.00 H new ATOM 0 HB3 MET D 31 7.571 -4.120 6.730 1.00 0.00 H new ATOM 0 HG2 MET D 31 9.257 -3.547 9.194 1.00 0.00 H new ATOM 0 HG3 MET D 31 9.805 -3.354 7.541 1.00 0.00 H new ATOM 0 HE1 MET D 31 8.147 -0.457 6.083 1.00 0.00 H new ATOM 0 HE2 MET D 31 8.428 -2.198 5.840 1.00 0.00 H new ATOM 0 HE3 MET D 31 6.802 -1.608 6.258 1.00 0.00 H new ATOM 482 N ASN D 32 7.529 -6.278 10.105 1.00 0.00 N ATOM 483 CA ASN D 32 8.014 -6.871 11.340 1.00 0.00 C ATOM 484 C ASN D 32 9.160 -7.803 11.000 1.00 0.00 C ATOM 485 O ASN D 32 8.936 -8.938 10.598 1.00 0.00 O ATOM 486 CB ASN D 32 6.875 -7.642 12.025 1.00 0.00 C ATOM 487 CG ASN D 32 7.245 -8.177 13.396 1.00 0.00 C ATOM 488 OD1 ASN D 32 8.155 -8.996 13.544 1.00 0.00 O ATOM 489 ND2 ASN D 32 6.532 -7.719 14.413 1.00 0.00 N ATOM 0 H ASN D 32 7.490 -6.927 9.319 1.00 0.00 H new ATOM 0 HA ASN D 32 8.362 -6.098 12.025 1.00 0.00 H new ATOM 0 HB2 ASN D 32 6.010 -6.986 12.121 1.00 0.00 H new ATOM 0 HB3 ASN D 32 6.575 -8.474 11.388 1.00 0.00 H new ATOM 0 HD21 ASN D 32 6.728 -8.043 15.360 1.00 0.00 H new ATOM 0 HD22 ASN D 32 5.787 -7.042 14.250 1.00 0.00 H new ATOM 496 N GLY D 33 10.364 -7.259 10.959 1.00 0.00 N ATOM 497 CA GLY D 33 11.479 -8.019 10.424 1.00 0.00 C ATOM 498 C GLY D 33 11.355 -8.172 8.919 1.00 0.00 C ATOM 499 O GLY D 33 11.446 -7.190 8.182 1.00 0.00 O ATOM 0 H GLY D 33 10.591 -6.318 11.281 1.00 0.00 H new ATOM 0 HA2 GLY D 33 12.416 -7.518 10.667 1.00 0.00 H new ATOM 0 HA3 GLY D 33 11.512 -9.003 10.892 1.00 0.00 H new ATOM 503 N ASN D 34 11.035 -9.377 8.465 1.00 0.00 N ATOM 504 CA ASN D 34 10.776 -9.618 7.045 1.00 0.00 C ATOM 505 C ASN D 34 9.290 -9.865 6.807 1.00 0.00 C ATOM 506 O ASN D 34 8.907 -10.567 5.872 1.00 0.00 O ATOM 507 CB ASN D 34 11.588 -10.816 6.533 1.00 0.00 C ATOM 508 CG ASN D 34 13.092 -10.588 6.553 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.520 -9.386 6.921 1.00 0.00 O flip ATOM 510 ND2 ASN D 34 13.868 -11.486 6.226 1.00 0.00 N flip ATOM 0 H ASN D 34 10.948 -10.204 9.056 1.00 0.00 H new ATOM 0 HA ASN D 34 11.083 -8.728 6.495 1.00 0.00 H new ATOM 0 HB2 ASN D 34 11.354 -11.689 7.142 1.00 0.00 H new ATOM 0 HB3 ASN D 34 11.278 -11.045 5.514 1.00 0.00 H new ATOM 0 HD21 ASN D 34 13.505 -12.398 5.949 1.00 0.00 H new ATOM 0 HD22 ASN D 34 14.874 -11.318 6.232 1.00 0.00 H new ATOM 517 N GLN D 35 8.460 -9.310 7.678 1.00 0.00 N ATOM 518 CA GLN D 35 7.016 -9.496 7.593 1.00 0.00 C ATOM 519 C GLN D 35 6.342 -8.244 7.063 1.00 0.00 C ATOM 520 O GLN D 35 6.934 -7.169 7.047 1.00 0.00 O ATOM 521 CB GLN D 35 6.436 -9.850 8.959 1.00 0.00 C ATOM 522 CG GLN D 35 7.079 -11.089 9.578 1.00 0.00 C ATOM 523 CD GLN D 35 6.508 -11.460 10.935 1.00 0.00 C ATOM 524 OE1 GLN D 35 5.534 -10.698 11.400 1.00 0.00 O flip ATOM 525 NE2 GLN D 35 6.940 -12.430 11.555 1.00 0.00 N flip ATOM 0 H GLN D 35 8.762 -8.724 8.456 1.00 0.00 H new ATOM 0 HA GLN D 35 6.827 -10.318 6.903 1.00 0.00 H new ATOM 0 HB2 GLN D 35 6.567 -9.004 9.634 1.00 0.00 H new ATOM 0 HB3 GLN D 35 5.363 -10.015 8.860 1.00 0.00 H new ATOM 0 HG2 GLN D 35 6.952 -11.931 8.898 1.00 0.00 H new ATOM 0 HG3 GLN D 35 8.151 -10.919 9.679 1.00 0.00 H new ATOM 0 HE21 GLN D 35 7.694 -12.993 11.161 1.00 0.00 H new ATOM 0 HE22 GLN D 35 6.545 -12.672 12.464 1.00 0.00 H new ATOM 534 N LEU D 36 5.111 -8.400 6.611 1.00 0.00 N ATOM 535 CA LEU D 36 4.344 -7.298 6.051 1.00 0.00 C ATOM 536 C LEU D 36 2.977 -7.216 6.713 1.00 0.00 C ATOM 537 O LEU D 36 2.399 -8.239 7.085 1.00 0.00 O ATOM 538 CB LEU D 36 4.302 -7.478 4.525 1.00 0.00 C ATOM 539 CG LEU D 36 3.302 -6.649 3.688 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.868 -7.101 3.915 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.435 -5.158 3.978 1.00 0.00 C ATOM 0 H LEU D 36 4.614 -9.291 6.621 1.00 0.00 H new ATOM 0 HA LEU D 36 4.812 -6.335 6.254 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.301 -7.267 4.144 1.00 0.00 H new ATOM 0 HB3 LEU D 36 4.101 -8.531 4.326 1.00 0.00 H new ATOM 0 HG LEU D 36 3.550 -6.820 2.641 1.00 0.00 H new ATOM 0 HD11 LEU D 36 1.195 -6.494 3.309 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.767 -8.148 3.631 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.612 -6.985 4.968 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.717 -4.604 3.373 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.238 -4.974 5.034 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.445 -4.829 3.735 1.00 0.00 H new ATOM 553 N LYS D 37 2.590 -5.996 7.064 1.00 0.00 N ATOM 554 CA LYS D 37 1.439 -5.778 7.927 1.00 0.00 C ATOM 555 C LYS D 37 0.474 -4.755 7.345 1.00 0.00 C ATOM 556 O LYS D 37 0.756 -3.564 7.342 1.00 0.00 O ATOM 557 CB LYS D 37 1.941 -5.280 9.277 1.00 0.00 C ATOM 558 CG LYS D 37 2.941 -6.220 9.922 1.00 0.00 C ATOM 559 CD LYS D 37 2.279 -7.520 10.334 1.00 0.00 C ATOM 560 CE LYS D 37 3.236 -8.415 11.090 1.00 0.00 C ATOM 561 NZ LYS D 37 2.593 -9.692 11.495 1.00 0.00 N1+ ATOM 0 H LYS D 37 3.058 -5.141 6.763 1.00 0.00 H new ATOM 0 HA LYS D 37 0.899 -6.720 8.026 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.402 -4.301 9.148 1.00 0.00 H new ATOM 0 HB3 LYS D 37 1.092 -5.146 9.947 1.00 0.00 H new ATOM 0 HG2 LYS D 37 3.753 -6.427 9.225 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.384 -5.741 10.795 1.00 0.00 H new ATOM 0 HD2 LYS D 37 1.411 -7.306 10.957 1.00 0.00 H new ATOM 0 HD3 LYS D 37 1.915 -8.041 9.448 1.00 0.00 H new ATOM 0 HE2 LYS D 37 4.105 -8.627 10.467 1.00 0.00 H new ATOM 0 HE3 LYS D 37 3.599 -7.894 11.976 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 3.319 -10.429 11.598 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 2.102 -9.561 12.402 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 1.907 -9.981 10.769 1.00 0.00 H new ATOM 575 N ALA D 38 -0.695 -5.213 6.946 1.00 0.00 N ATOM 576 CA ALA D 38 -1.746 -4.331 6.468 1.00 0.00 C ATOM 577 C ALA D 38 -2.914 -4.296 7.440 1.00 0.00 C ATOM 578 O ALA D 38 -3.273 -5.314 8.033 1.00 0.00 O ATOM 579 CB ALA D 38 -2.227 -4.783 5.102 1.00 0.00 C ATOM 0 H ALA D 38 -0.945 -6.202 6.943 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.333 -3.325 6.390 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -3.015 -4.115 4.754 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.395 -4.761 4.398 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.617 -5.798 5.171 1.00 0.00 H new ATOM 585 N THR D 39 -3.519 -3.124 7.560 1.00 0.00 N ATOM 586 CA THR D 39 -4.682 -2.921 8.409 1.00 0.00 C ATOM 587 C THR D 39 -5.605 -1.861 7.803 1.00 0.00 C ATOM 588 O THR D 39 -5.158 -0.797 7.395 1.00 0.00 O ATOM 589 CB THR D 39 -4.249 -2.514 9.823 1.00 0.00 C ATOM 590 OG1 THR D 39 -3.259 -1.503 9.776 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.701 -3.657 10.655 1.00 0.00 C ATOM 0 H THR D 39 -3.215 -2.283 7.069 1.00 0.00 H new ATOM 0 HA THR D 39 -5.232 -3.860 8.475 1.00 0.00 H new ATOM 0 HB THR D 39 -5.162 -2.156 10.300 1.00 0.00 H new ATOM 0 HG1 THR D 39 -2.999 -1.257 10.688 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.418 -3.287 11.640 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.465 -4.427 10.763 1.00 0.00 H new ATOM 0 HG23 THR D 39 -2.826 -4.080 10.161 1.00 0.00 H new ATOM 599 N SER D 40 -6.896 -2.130 7.810 1.00 0.00 N ATOM 600 CA SER D 40 -7.889 -1.183 7.334 1.00 0.00 C ATOM 601 C SER D 40 -8.666 -0.658 8.504 1.00 0.00 C ATOM 602 O SER D 40 -9.198 -1.430 9.303 1.00 0.00 O ATOM 603 CB SER D 40 -8.836 -1.861 6.365 1.00 0.00 C ATOM 604 OG SER D 40 -9.375 -3.046 6.933 1.00 0.00 O ATOM 0 H SER D 40 -7.287 -3.010 8.145 1.00 0.00 H new ATOM 0 HA SER D 40 -7.386 -0.363 6.821 1.00 0.00 H new ATOM 0 HB2 SER D 40 -9.644 -1.179 6.101 1.00 0.00 H new ATOM 0 HB3 SER D 40 -8.308 -2.102 5.442 1.00 0.00 H new ATOM 0 HG SER D 40 -9.483 -2.926 7.900 1.00 0.00 H new ATOM 610 N SER D 41 -8.786 0.637 8.589 1.00 0.00 N ATOM 611 CA SER D 41 -9.570 1.201 9.662 1.00 0.00 C ATOM 612 C SER D 41 -10.986 1.473 9.164 1.00 0.00 C ATOM 613 O SER D 41 -11.205 1.569 7.948 1.00 0.00 O ATOM 614 CB SER D 41 -8.906 2.455 10.235 1.00 0.00 C ATOM 615 OG SER D 41 -9.667 3.017 11.292 1.00 0.00 O ATOM 0 H SER D 41 -8.365 1.311 7.949 1.00 0.00 H new ATOM 0 HA SER D 41 -9.627 0.485 10.482 1.00 0.00 H new ATOM 0 HB2 SER D 41 -7.909 2.205 10.598 1.00 0.00 H new ATOM 0 HB3 SER D 41 -8.781 3.194 9.444 1.00 0.00 H new ATOM 0 HG SER D 41 -9.212 3.815 11.634 1.00 0.00 H new ATOM 621 N ASN D 42 -11.946 1.365 10.090 1.00 0.00 N ATOM 622 CA ASN D 42 -13.385 1.353 9.776 1.00 0.00 C ATOM 623 C ASN D 42 -13.814 -0.032 9.302 1.00 0.00 C ATOM 624 O ASN D 42 -15.006 -0.313 9.195 1.00 0.00 O ATOM 625 CB ASN D 42 -13.782 2.427 8.758 1.00 0.00 C ATOM 626 CG ASN D 42 -13.584 3.823 9.308 1.00 0.00 C ATOM 627 OD1 ASN D 42 -14.177 4.191 10.324 1.00 0.00 O ATOM 628 ND2 ASN D 42 -12.749 4.607 8.648 1.00 0.00 N ATOM 0 H ASN D 42 -11.747 1.283 11.087 1.00 0.00 H new ATOM 0 HA ASN D 42 -13.914 1.594 10.698 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -13.189 2.306 7.852 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -14.826 2.292 8.476 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -12.575 5.557 8.976 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -12.279 4.262 7.811 1.00 0.00 H new ATOM 635 N ALA D 43 -12.834 -0.936 9.228 1.00 0.00 N ATOM 636 CA ALA D 43 -13.075 -2.365 9.014 1.00 0.00 C ATOM 637 C ALA D 43 -14.016 -2.669 7.848 1.00 0.00 C ATOM 638 O ALA D 43 -15.002 -3.387 8.029 1.00 0.00 O ATOM 639 CB ALA D 43 -13.620 -2.992 10.287 1.00 0.00 C ATOM 0 H ALA D 43 -11.846 -0.696 9.315 1.00 0.00 H new ATOM 0 HA ALA D 43 -12.110 -2.799 8.751 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -13.797 -4.055 10.122 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -12.897 -2.866 11.093 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -14.557 -2.506 10.560 1.00 0.00 H new ATOM 645 N GLY D 44 -13.647 -2.294 6.628 1.00 0.00 N ATOM 646 CA GLY D 44 -14.426 -2.746 5.505 1.00 0.00 C ATOM 647 C GLY D 44 -14.937 -1.663 4.598 1.00 0.00 C ATOM 648 O GLY D 44 -15.623 -1.945 3.626 1.00 0.00 O ATOM 0 H GLY D 44 -12.846 -1.703 6.406 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -13.819 -3.433 4.916 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -15.277 -3.314 5.880 1.00 0.00 H new ATOM 652 N TYR D 45 -14.607 -0.437 4.897 1.00 0.00 N ATOM 653 CA TYR D 45 -15.036 0.680 4.064 1.00 0.00 C ATOM 654 C TYR D 45 -14.048 0.896 2.913 1.00 0.00 C ATOM 655 O TYR D 45 -12.863 0.573 3.034 1.00 0.00 O ATOM 656 CB TYR D 45 -15.172 1.969 4.881 1.00 0.00 C ATOM 657 CG TYR D 45 -16.247 1.953 5.964 1.00 0.00 C ATOM 658 CD1 TYR D 45 -16.838 3.140 6.396 1.00 0.00 C ATOM 659 CD2 TYR D 45 -16.678 0.768 6.550 1.00 0.00 C ATOM 660 CE1 TYR D 45 -17.810 3.141 7.374 1.00 0.00 C ATOM 661 CE2 TYR D 45 -17.652 0.764 7.527 1.00 0.00 C ATOM 662 CZ TYR D 45 -18.214 1.953 7.935 1.00 0.00 C ATOM 663 OH TYR D 45 -19.177 1.954 8.916 1.00 0.00 O ATOM 0 H TYR D 45 -14.044 -0.174 5.706 1.00 0.00 H new ATOM 0 HA TYR D 45 -16.016 0.431 3.657 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -14.212 2.183 5.350 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.383 2.791 4.197 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -16.528 4.076 5.956 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -16.242 -0.168 6.234 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -18.252 4.072 7.698 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -17.972 -0.168 7.970 1.00 0.00 H new ATOM 0 HH TYR D 45 -19.350 1.034 9.206 1.00 0.00 H new ATOM 673 N GLY D 46 -14.535 1.472 1.820 1.00 0.00 N ATOM 674 CA GLY D 46 -13.686 1.770 0.670 1.00 0.00 C ATOM 675 C GLY D 46 -13.321 3.227 0.614 1.00 0.00 C ATOM 676 O GLY D 46 -13.321 3.891 1.636 1.00 0.00 O ATOM 0 H GLY D 46 -15.512 1.742 1.705 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.778 1.169 0.722 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -14.203 1.488 -0.247 1.00 0.00 H new ATOM 680 N ILE D 47 -13.047 3.733 -0.582 1.00 0.00 N ATOM 681 CA ILE D 47 -12.723 5.148 -0.767 1.00 0.00 C ATOM 682 C ILE D 47 -13.758 5.981 -0.056 1.00 0.00 C ATOM 683 O ILE D 47 -13.457 6.851 0.764 1.00 0.00 O ATOM 684 CB ILE D 47 -12.862 5.598 -2.220 1.00 0.00 C ATOM 685 CG1 ILE D 47 -12.279 4.633 -3.197 1.00 0.00 C ATOM 686 CG2 ILE D 47 -12.281 6.983 -2.415 1.00 0.00 C ATOM 687 CD1 ILE D 47 -13.238 3.523 -3.550 1.00 0.00 C ATOM 0 H ILE D 47 -13.042 3.185 -1.443 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.702 5.270 -0.406 1.00 0.00 H new ATOM 0 HB ILE D 47 -13.932 5.631 -2.427 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -11.994 5.166 -4.104 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -11.368 4.204 -2.780 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -12.392 7.281 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.809 7.692 -1.777 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -11.224 6.974 -2.151 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -12.766 2.848 -4.264 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -13.503 2.971 -2.648 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -14.139 3.948 -3.993 1.00 0.00 H new ATOM 699 N SER D 48 -14.975 5.716 -0.525 1.00 0.00 N ATOM 700 CA SER D 48 -16.205 6.400 -0.166 1.00 0.00 C ATOM 701 C SER D 48 -17.142 6.266 -1.363 1.00 0.00 C ATOM 702 O SER D 48 -17.678 5.183 -1.601 1.00 0.00 O ATOM 703 CB SER D 48 -15.962 7.869 0.205 1.00 0.00 C ATOM 704 OG SER D 48 -17.179 8.552 0.462 1.00 0.00 O ATOM 0 H SER D 48 -15.133 4.973 -1.206 1.00 0.00 H new ATOM 0 HA SER D 48 -16.646 5.951 0.724 1.00 0.00 H new ATOM 0 HB2 SER D 48 -15.322 7.921 1.086 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.429 8.366 -0.606 1.00 0.00 H new ATOM 0 HG SER D 48 -16.988 9.484 0.697 1.00 0.00 H new ATOM 710 N TYR D 49 -17.162 7.273 -2.231 1.00 0.00 N ATOM 711 CA TYR D 49 -17.839 7.156 -3.525 1.00 0.00 C ATOM 712 C TYR D 49 -16.926 7.607 -4.665 1.00 0.00 C ATOM 713 O TYR D 49 -17.148 8.666 -5.250 1.00 0.00 O ATOM 714 CB TYR D 49 -19.117 8.010 -3.559 1.00 0.00 C ATOM 715 CG TYR D 49 -20.364 7.379 -2.929 1.00 0.00 C ATOM 716 CD1 TYR D 49 -20.254 6.511 -1.850 1.00 0.00 C ATOM 717 CD2 TYR D 49 -21.658 7.667 -3.396 1.00 0.00 C ATOM 718 CE1 TYR D 49 -21.366 5.945 -1.263 1.00 0.00 C ATOM 719 CE2 TYR D 49 -22.771 7.099 -2.806 1.00 0.00 C ATOM 720 CZ TYR D 49 -22.619 6.241 -1.743 1.00 0.00 C ATOM 721 OH TYR D 49 -23.728 5.675 -1.158 1.00 0.00 O ATOM 0 H TYR D 49 -16.720 8.177 -2.066 1.00 0.00 H new ATOM 0 HA TYR D 49 -18.097 6.105 -3.655 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -18.914 8.952 -3.050 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -19.342 8.251 -4.598 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -19.274 6.274 -1.462 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -21.784 8.343 -4.229 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -21.252 5.270 -0.427 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -23.758 7.329 -3.179 1.00 0.00 H new ATOM 0 HH TYR D 49 -24.536 5.989 -1.616 1.00 0.00 H new ATOM 731 N GLU D 50 -15.953 6.767 -5.031 1.00 0.00 N ATOM 732 CA GLU D 50 -15.056 7.047 -6.162 1.00 0.00 C ATOM 733 C GLU D 50 -14.462 5.750 -6.707 1.00 0.00 C ATOM 734 O GLU D 50 -14.706 4.674 -6.157 1.00 0.00 O ATOM 735 CB GLU D 50 -13.895 7.967 -5.747 1.00 0.00 C ATOM 736 CG GLU D 50 -14.307 9.357 -5.304 1.00 0.00 C ATOM 737 CD GLU D 50 -13.131 10.202 -4.886 1.00 0.00 C ATOM 738 OE1 GLU D 50 -12.254 10.457 -5.733 1.00 0.00 O ATOM 739 OE2 GLU D 50 -13.077 10.599 -3.707 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.764 5.883 -4.559 1.00 0.00 H new ATOM 0 HA GLU D 50 -15.654 7.542 -6.927 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -13.346 7.491 -4.935 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -13.206 8.059 -6.586 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -14.835 9.853 -6.118 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -15.007 9.277 -4.472 1.00 0.00 H new ATOM 746 N ASP D 51 -13.557 5.872 -7.682 1.00 0.00 N ATOM 747 CA ASP D 51 -12.805 4.710 -8.151 1.00 0.00 C ATOM 748 C ASP D 51 -11.310 5.009 -8.203 1.00 0.00 C ATOM 749 O ASP D 51 -10.899 6.126 -8.522 1.00 0.00 O ATOM 750 CB ASP D 51 -13.282 4.223 -9.520 1.00 0.00 C ATOM 751 CG ASP D 51 -12.887 5.154 -10.644 1.00 0.00 C ATOM 752 OD1 ASP D 51 -13.329 6.317 -10.640 1.00 0.00 O ATOM 753 OD2 ASP D 51 -12.114 4.725 -11.521 1.00 0.00 O1- ATOM 0 H ASP D 51 -13.331 6.748 -8.153 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.987 3.913 -7.430 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -12.869 3.233 -9.712 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -14.367 4.118 -9.505 1.00 0.00 H new ATOM 758 N LYS D 52 -10.508 4.011 -7.830 1.00 0.00 N ATOM 759 CA LYS D 52 -9.060 4.136 -7.759 1.00 0.00 C ATOM 760 C LYS D 52 -8.407 2.839 -8.148 1.00 0.00 C ATOM 761 O LYS D 52 -8.732 1.809 -7.584 1.00 0.00 O ATOM 762 CB LYS D 52 -8.587 4.471 -6.348 1.00 0.00 C ATOM 763 CG LYS D 52 -8.850 5.887 -5.893 1.00 0.00 C ATOM 764 CD LYS D 52 -10.297 6.131 -5.519 1.00 0.00 C ATOM 765 CE LYS D 52 -10.495 7.584 -5.138 1.00 0.00 C ATOM 766 NZ LYS D 52 -9.633 7.954 -3.986 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.852 3.087 -7.567 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.783 4.941 -8.440 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -9.071 3.788 -5.650 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -7.515 4.282 -6.288 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -8.216 6.110 -5.035 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -8.565 6.577 -6.688 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.946 5.874 -6.356 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -10.580 5.486 -4.687 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -10.263 8.222 -5.991 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -11.541 7.758 -4.885 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -10.104 8.690 -3.422 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -9.467 7.116 -3.393 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -8.723 8.316 -4.336 1.00 0.00 H new ATOM 780 N ASN D 53 -7.369 2.904 -8.955 1.00 0.00 N ATOM 781 CA ASN D 53 -6.556 1.727 -9.205 1.00 0.00 C ATOM 782 C ASN D 53 -5.167 1.923 -8.640 1.00 0.00 C ATOM 783 O ASN D 53 -4.644 3.038 -8.624 1.00 0.00 O ATOM 784 CB ASN D 53 -6.493 1.376 -10.689 1.00 0.00 C ATOM 785 CG ASN D 53 -7.791 0.789 -11.210 1.00 0.00 C ATOM 786 OD1 ASN D 53 -8.821 0.730 -10.368 1.00 0.00 O flip ATOM 787 ND2 ASN D 53 -7.877 0.406 -12.379 1.00 0.00 N flip ATOM 0 H ASN D 53 -7.069 3.747 -9.445 1.00 0.00 H new ATOM 0 HA ASN D 53 -7.030 0.886 -8.700 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -6.250 2.272 -11.260 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.685 0.664 -10.855 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -7.067 0.466 -12.996 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.758 0.029 -12.729 1.00 0.00 H new ATOM 794 N TRP D 54 -4.643 0.873 -8.036 1.00 0.00 N ATOM 795 CA TRP D 54 -3.395 0.968 -7.306 1.00 0.00 C ATOM 796 C TRP D 54 -2.373 -0.054 -7.746 1.00 0.00 C ATOM 797 O TRP D 54 -2.719 -1.147 -8.199 1.00 0.00 O ATOM 798 CB TRP D 54 -3.635 0.800 -5.816 1.00 0.00 C ATOM 799 CG TRP D 54 -3.527 2.077 -5.080 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.326 3.175 -5.162 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.484 2.398 -4.193 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.825 4.168 -4.352 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.685 3.704 -3.753 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.391 1.690 -3.724 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.812 4.314 -2.871 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.544 2.304 -2.846 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.753 3.601 -2.432 1.00 0.00 C ATOM 0 H TRP D 54 -5.064 -0.056 -8.037 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.996 1.959 -7.522 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.626 0.374 -5.656 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -2.914 0.089 -5.413 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -5.216 3.255 -5.769 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -4.234 5.093 -4.220 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.212 0.675 -4.045 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.973 5.330 -2.543 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.309 1.760 -2.468 1.00 0.00 H new ATOM 0 HH2 TRP D 54 -0.057 4.056 -1.743 1.00 0.00 H new ATOM 818 N GLY D 55 -1.110 0.264 -7.487 1.00 0.00 N ATOM 819 CA GLY D 55 -0.061 -0.684 -7.741 1.00 0.00 C ATOM 820 C GLY D 55 1.046 -0.643 -6.709 1.00 0.00 C ATOM 821 O GLY D 55 1.272 0.358 -6.029 1.00 0.00 O ATOM 0 H GLY D 55 -0.802 1.159 -7.107 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.486 -1.687 -7.768 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.363 -0.491 -8.726 1.00 0.00 H new ATOM 825 N ILE D 56 1.742 -1.749 -6.653 1.00 0.00 N ATOM 826 CA ILE D 56 2.887 -1.979 -5.780 1.00 0.00 C ATOM 827 C ILE D 56 4.022 -2.504 -6.645 1.00 0.00 C ATOM 828 O ILE D 56 4.004 -3.661 -7.063 1.00 0.00 O ATOM 829 CB ILE D 56 2.526 -3.037 -4.714 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.406 -2.530 -3.804 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.740 -3.405 -3.889 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.908 -3.572 -2.828 1.00 0.00 C ATOM 0 H ILE D 56 1.524 -2.556 -7.237 1.00 0.00 H new ATOM 0 HA ILE D 56 3.175 -1.057 -5.275 1.00 0.00 H new ATOM 0 HB ILE D 56 2.176 -3.929 -5.233 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.764 -1.663 -3.248 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.573 -2.192 -4.420 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.462 -4.151 -3.145 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.513 -3.813 -4.541 1.00 0.00 H new ATOM 0 HG23 ILE D 56 4.121 -2.516 -3.386 1.00 0.00 H new ATOM 0 HD11 ILE D 56 0.115 -3.146 -2.214 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.520 -4.430 -3.378 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.730 -3.893 -2.188 1.00 0.00 H new ATOM 844 N PHE D 57 4.912 -1.616 -7.047 1.00 0.00 N ATOM 845 CA PHE D 57 5.933 -1.977 -8.015 1.00 0.00 C ATOM 846 C PHE D 57 7.241 -2.255 -7.302 1.00 0.00 C ATOM 847 O PHE D 57 7.925 -1.329 -6.870 1.00 0.00 O ATOM 848 CB PHE D 57 6.145 -0.869 -9.064 1.00 0.00 C ATOM 849 CG PHE D 57 4.876 -0.350 -9.693 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.046 0.523 -9.005 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.503 -0.746 -10.967 1.00 0.00 C ATOM 852 CE1 PHE D 57 2.883 0.987 -9.571 1.00 0.00 C ATOM 853 CE2 PHE D 57 3.333 -0.276 -11.538 1.00 0.00 C ATOM 854 CZ PHE D 57 2.524 0.594 -10.834 1.00 0.00 C ATOM 0 H PHE D 57 4.950 -0.650 -6.723 1.00 0.00 H new ATOM 0 HA PHE D 57 5.593 -2.872 -8.535 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.669 -0.037 -8.594 1.00 0.00 H new ATOM 0 HB3 PHE D 57 6.795 -1.251 -9.851 1.00 0.00 H new ATOM 0 HD1 PHE D 57 4.318 0.843 -8.010 1.00 0.00 H new ATOM 0 HD2 PHE D 57 5.131 -1.428 -11.520 1.00 0.00 H new ATOM 0 HE1 PHE D 57 2.249 1.664 -9.018 1.00 0.00 H new ATOM 0 HE2 PHE D 57 3.053 -0.589 -12.533 1.00 0.00 H new ATOM 0 HZ PHE D 57 1.611 0.964 -11.277 1.00 0.00 H new ATOM 864 N VAL D 58 7.586 -3.523 -7.152 1.00 0.00 N ATOM 865 CA VAL D 58 8.811 -3.861 -6.464 1.00 0.00 C ATOM 866 C VAL D 58 9.941 -4.072 -7.491 1.00 0.00 C ATOM 867 O VAL D 58 9.939 -5.035 -8.262 1.00 0.00 O ATOM 868 CB VAL D 58 8.618 -5.065 -5.498 1.00 0.00 C ATOM 869 CG1 VAL D 58 7.364 -4.873 -4.664 1.00 0.00 C ATOM 870 CG2 VAL D 58 8.584 -6.412 -6.180 1.00 0.00 C ATOM 0 H VAL D 58 7.045 -4.318 -7.491 1.00 0.00 H new ATOM 0 HA VAL D 58 9.104 -3.029 -5.823 1.00 0.00 H new ATOM 0 HB VAL D 58 9.502 -5.075 -4.860 1.00 0.00 H new ATOM 0 HG11 VAL D 58 7.240 -5.722 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL D 58 7.453 -3.958 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL D 58 6.497 -4.801 -5.321 1.00 0.00 H new ATOM 0 HG21 VAL D 58 8.446 -7.194 -5.434 1.00 0.00 H new ATOM 0 HG22 VAL D 58 7.758 -6.439 -6.891 1.00 0.00 H new ATOM 0 HG23 VAL D 58 9.523 -6.576 -6.709 1.00 0.00 H new ATOM 880 N ASN D 59 10.766 -3.029 -7.637 1.00 0.00 N ATOM 881 CA ASN D 59 11.755 -2.933 -8.721 1.00 0.00 C ATOM 882 C ASN D 59 11.097 -3.018 -10.093 1.00 0.00 C ATOM 883 O ASN D 59 11.415 -3.904 -10.889 1.00 0.00 O ATOM 884 CB ASN D 59 12.857 -3.992 -8.602 1.00 0.00 C ATOM 885 CG ASN D 59 13.731 -3.788 -7.386 1.00 0.00 C ATOM 886 OD1 ASN D 59 13.834 -4.805 -6.552 1.00 0.00 O flip ATOM 887 ND2 ASN D 59 14.329 -2.728 -7.210 1.00 0.00 N flip ATOM 0 H ASN D 59 10.768 -2.226 -7.008 1.00 0.00 H new ATOM 0 HA ASN D 59 12.220 -1.953 -8.618 1.00 0.00 H new ATOM 0 HB2 ASN D 59 12.402 -4.981 -8.556 1.00 0.00 H new ATOM 0 HB3 ASN D 59 13.477 -3.968 -9.498 1.00 0.00 H new ATOM 0 HD21 ASN D 59 14.223 -1.965 -7.879 1.00 0.00 H new ATOM 0 HD22 ASN D 59 14.931 -2.612 -6.395 1.00 0.00 H new ATOM 894 N GLY D 60 10.244 -2.042 -10.389 1.00 0.00 N ATOM 895 CA GLY D 60 9.617 -1.955 -11.696 1.00 0.00 C ATOM 896 C GLY D 60 8.791 -3.172 -12.048 1.00 0.00 C ATOM 897 O GLY D 60 8.904 -3.715 -13.149 1.00 0.00 O ATOM 0 H GLY D 60 9.974 -1.303 -9.740 1.00 0.00 H new ATOM 0 HA2 GLY D 60 8.980 -1.071 -11.727 1.00 0.00 H new ATOM 0 HA3 GLY D 60 10.389 -1.818 -12.453 1.00 0.00 H new ATOM 901 N GLU D 61 7.944 -3.581 -11.120 1.00 0.00 N ATOM 902 CA GLU D 61 7.062 -4.722 -11.326 1.00 0.00 C ATOM 903 C GLU D 61 5.865 -4.632 -10.392 1.00 0.00 C ATOM 904 O GLU D 61 6.021 -4.704 -9.173 1.00 0.00 O ATOM 905 CB GLU D 61 7.820 -6.029 -11.077 1.00 0.00 C ATOM 906 CG GLU D 61 6.993 -7.284 -11.325 1.00 0.00 C ATOM 907 CD GLU D 61 6.551 -7.426 -12.764 1.00 0.00 C ATOM 908 OE1 GLU D 61 5.813 -6.552 -13.258 1.00 0.00 O ATOM 909 OE2 GLU D 61 6.952 -8.413 -13.405 1.00 0.00 O1- ATOM 0 H GLU D 61 7.846 -3.137 -10.207 1.00 0.00 H new ATOM 0 HA GLU D 61 6.710 -4.709 -12.357 1.00 0.00 H new ATOM 0 HB2 GLU D 61 8.700 -6.054 -11.719 1.00 0.00 H new ATOM 0 HB3 GLU D 61 8.176 -6.039 -10.047 1.00 0.00 H new ATOM 0 HG2 GLU D 61 7.578 -8.159 -11.042 1.00 0.00 H new ATOM 0 HG3 GLU D 61 6.114 -7.266 -10.681 1.00 0.00 H new ATOM 916 N LYS D 62 4.675 -4.477 -10.956 1.00 0.00 N ATOM 917 CA LYS D 62 3.469 -4.384 -10.146 1.00 0.00 C ATOM 918 C LYS D 62 3.067 -5.777 -9.672 1.00 0.00 C ATOM 919 O LYS D 62 2.539 -6.580 -10.443 1.00 0.00 O ATOM 920 CB LYS D 62 2.341 -3.717 -10.947 1.00 0.00 C ATOM 921 CG LYS D 62 1.083 -3.444 -10.132 1.00 0.00 C ATOM 922 CD LYS D 62 0.037 -2.631 -10.906 1.00 0.00 C ATOM 923 CE LYS D 62 -0.624 -3.407 -12.048 1.00 0.00 C ATOM 924 NZ LYS D 62 0.322 -3.802 -13.126 1.00 0.00 N1+ ATOM 0 H LYS D 62 4.519 -4.413 -11.962 1.00 0.00 H new ATOM 0 HA LYS D 62 3.663 -3.764 -9.270 1.00 0.00 H new ATOM 0 HB2 LYS D 62 2.707 -2.776 -11.357 1.00 0.00 H new ATOM 0 HB3 LYS D 62 2.083 -4.355 -11.793 1.00 0.00 H new ATOM 0 HG2 LYS D 62 0.643 -4.392 -9.823 1.00 0.00 H new ATOM 0 HG3 LYS D 62 1.354 -2.907 -9.223 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -0.734 -2.295 -10.213 1.00 0.00 H new ATOM 0 HD3 LYS D 62 0.512 -1.738 -11.312 1.00 0.00 H new ATOM 0 HE2 LYS D 62 -1.094 -4.303 -11.643 1.00 0.00 H new ATOM 0 HE3 LYS D 62 -1.418 -2.797 -12.479 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 -0.167 -3.778 -14.043 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 1.124 -3.140 -13.144 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 0.672 -4.764 -12.945 1.00 0.00 H new ATOM 938 N VAL D 63 3.436 -6.093 -8.436 1.00 0.00 N ATOM 939 CA VAL D 63 3.243 -7.432 -7.896 1.00 0.00 C ATOM 940 C VAL D 63 1.878 -7.604 -7.237 1.00 0.00 C ATOM 941 O VAL D 63 1.430 -8.730 -7.014 1.00 0.00 O ATOM 942 CB VAL D 63 4.358 -7.803 -6.911 1.00 0.00 C ATOM 943 CG1 VAL D 63 5.700 -7.826 -7.621 1.00 0.00 C ATOM 944 CG2 VAL D 63 4.404 -6.849 -5.724 1.00 0.00 C ATOM 0 H VAL D 63 3.872 -5.437 -7.788 1.00 0.00 H new ATOM 0 HA VAL D 63 3.285 -8.114 -8.746 1.00 0.00 H new ATOM 0 HB VAL D 63 4.140 -8.799 -6.525 1.00 0.00 H new ATOM 0 HG11 VAL D 63 6.483 -8.091 -6.910 1.00 0.00 H new ATOM 0 HG12 VAL D 63 5.674 -8.563 -8.424 1.00 0.00 H new ATOM 0 HG13 VAL D 63 5.907 -6.841 -8.039 1.00 0.00 H new ATOM 0 HG21 VAL D 63 5.207 -7.146 -5.050 1.00 0.00 H new ATOM 0 HG22 VAL D 63 4.585 -5.835 -6.079 1.00 0.00 H new ATOM 0 HG23 VAL D 63 3.453 -6.883 -5.193 1.00 0.00 H new ATOM 954 N TYR D 64 1.171 -6.498 -7.031 1.00 0.00 N ATOM 955 CA TYR D 64 -0.193 -6.559 -6.528 1.00 0.00 C ATOM 956 C TYR D 64 -1.001 -5.374 -7.040 1.00 0.00 C ATOM 957 O TYR D 64 -0.540 -4.231 -7.002 1.00 0.00 O ATOM 958 CB TYR D 64 -0.227 -6.591 -4.997 1.00 0.00 C ATOM 959 CG TYR D 64 -1.630 -6.747 -4.438 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.076 -5.973 -3.375 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.515 -7.664 -4.993 1.00 0.00 C ATOM 962 CE1 TYR D 64 -3.359 -6.106 -2.887 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.797 -7.804 -4.506 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.215 -7.022 -3.454 1.00 0.00 C ATOM 965 OH TYR D 64 -5.496 -7.148 -2.976 1.00 0.00 O ATOM 0 H TYR D 64 1.519 -5.555 -7.204 1.00 0.00 H new ATOM 0 HA TYR D 64 -0.638 -7.484 -6.896 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.393 -7.414 -4.642 1.00 0.00 H new ATOM 0 HB3 TYR D 64 0.212 -5.672 -4.610 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -1.407 -5.255 -2.923 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -2.192 -8.278 -5.821 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -3.691 -5.493 -2.062 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -4.470 -8.524 -4.948 1.00 0.00 H new ATOM 0 HH TYR D 64 -5.969 -7.838 -3.487 1.00 0.00 H new ATOM 975 N THR D 65 -2.228 -5.645 -7.465 1.00 0.00 N ATOM 976 CA THR D 65 -3.127 -4.601 -7.917 1.00 0.00 C ATOM 977 C THR D 65 -4.377 -4.573 -7.049 1.00 0.00 C ATOM 978 O THR D 65 -5.222 -5.467 -7.140 1.00 0.00 O ATOM 979 CB THR D 65 -3.517 -4.819 -9.360 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.369 -5.017 -10.171 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.315 -3.670 -9.958 1.00 0.00 C ATOM 0 H THR D 65 -2.621 -6.585 -7.505 1.00 0.00 H new ATOM 0 HA THR D 65 -2.608 -3.646 -7.834 1.00 0.00 H new ATOM 0 HB THR D 65 -4.150 -5.706 -9.349 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.598 -5.600 -10.925 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.559 -3.898 -10.996 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.235 -3.532 -9.391 1.00 0.00 H new ATOM 0 HG23 THR D 65 -3.723 -2.756 -9.917 1.00 0.00 H new ATOM 989 N PHE D 66 -4.554 -3.501 -6.297 1.00 0.00 N ATOM 990 CA PHE D 66 -5.778 -3.323 -5.537 1.00 0.00 C ATOM 991 C PHE D 66 -6.410 -2.010 -5.915 1.00 0.00 C ATOM 992 O PHE D 66 -5.753 -1.116 -6.430 1.00 0.00 O ATOM 993 CB PHE D 66 -5.540 -3.417 -4.024 1.00 0.00 C ATOM 994 CG PHE D 66 -4.731 -2.304 -3.387 1.00 0.00 C ATOM 995 CD1 PHE D 66 -5.276 -1.040 -3.209 1.00 0.00 C ATOM 996 CD2 PHE D 66 -3.431 -2.529 -2.951 1.00 0.00 C ATOM 997 CE1 PHE D 66 -4.549 -0.029 -2.611 1.00 0.00 C ATOM 998 CE2 PHE D 66 -2.697 -1.516 -2.352 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.258 -0.265 -2.181 1.00 0.00 C ATOM 0 H PHE D 66 -3.873 -2.748 -6.197 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.461 -4.135 -5.786 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.511 -3.457 -3.530 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.038 -4.362 -3.817 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -6.284 -0.844 -3.543 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -2.987 -3.505 -3.080 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -4.991 0.948 -2.480 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -1.687 -1.705 -2.019 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.689 0.525 -1.713 1.00 0.00 H new ATOM 1009 N ASN D 67 -7.680 -1.896 -5.657 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.404 -0.686 -5.955 1.00 0.00 C ATOM 1011 C ASN D 67 -9.207 -0.297 -4.735 1.00 0.00 C ATOM 1012 O ASN D 67 -9.703 -1.178 -4.052 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.275 -0.902 -7.207 1.00 0.00 C ATOM 1014 CG ASN D 67 -10.139 -2.146 -7.154 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -11.051 -2.249 -6.350 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -9.844 -3.108 -8.015 1.00 0.00 N ATOM 0 H ASN D 67 -8.245 -2.633 -5.236 1.00 0.00 H new ATOM 0 HA ASN D 67 -7.727 0.137 -6.184 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -9.918 -0.032 -7.344 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -8.627 -0.960 -8.081 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -10.387 -3.971 -8.021 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -9.074 -2.985 -8.672 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.245 0.999 -4.377 1.00 0.00 N ATOM 1024 CA GLU D 68 -9.910 1.401 -3.135 1.00 0.00 C ATOM 1025 C GLU D 68 -11.386 1.039 -3.221 1.00 0.00 C ATOM 1026 O GLU D 68 -12.069 0.903 -2.205 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.761 2.906 -2.847 1.00 0.00 C ATOM 1028 CG GLU D 68 -8.361 3.466 -3.078 1.00 0.00 C ATOM 1029 CD GLU D 68 -8.264 4.957 -2.801 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -7.165 5.521 -2.963 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -9.292 5.576 -2.457 1.00 0.00 O1- ATOM 0 H GLU D 68 -8.835 1.762 -4.915 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.430 0.868 -2.314 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -10.464 3.453 -3.475 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -10.046 3.093 -1.812 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.654 2.937 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -8.064 3.274 -4.109 1.00 0.00 H new ATOM 1038 N LYS D 69 -11.830 0.779 -4.455 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.174 0.293 -4.731 1.00 0.00 C ATOM 1040 C LYS D 69 -13.371 -0.997 -3.978 1.00 0.00 C ATOM 1041 O LYS D 69 -14.262 -1.112 -3.134 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.307 0.015 -6.214 1.00 0.00 C ATOM 1043 CG LYS D 69 -12.912 1.202 -7.071 1.00 0.00 C ATOM 1044 CD LYS D 69 -12.967 0.906 -8.570 1.00 0.00 C ATOM 1045 CE LYS D 69 -14.377 0.612 -9.085 1.00 0.00 C ATOM 1046 NZ LYS D 69 -14.942 -0.662 -8.563 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.259 0.903 -5.291 1.00 0.00 H new ATOM 0 HA LYS D 69 -13.914 1.034 -4.427 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -12.684 -0.840 -6.476 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.338 -0.261 -6.436 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.573 2.039 -6.848 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -11.902 1.514 -6.805 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -12.560 1.758 -9.115 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -12.325 0.053 -8.787 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -15.036 1.434 -8.807 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -14.357 0.573 -10.174 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -15.446 -1.157 -9.326 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -14.171 -1.265 -8.210 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -15.604 -0.456 -7.788 1.00 0.00 H new ATOM 1060 N SER D 70 -12.363 -1.851 -4.112 1.00 0.00 N ATOM 1061 CA SER D 70 -12.241 -2.984 -3.248 1.00 0.00 C ATOM 1062 C SER D 70 -11.958 -2.443 -1.874 1.00 0.00 C ATOM 1063 O SER D 70 -10.981 -1.734 -1.676 1.00 0.00 O ATOM 1064 CB SER D 70 -11.114 -3.924 -3.682 1.00 0.00 C ATOM 1065 OG SER D 70 -11.084 -5.090 -2.870 1.00 0.00 O ATOM 0 H SER D 70 -11.628 -1.768 -4.814 1.00 0.00 H new ATOM 0 HA SER D 70 -13.158 -3.572 -3.277 1.00 0.00 H new ATOM 0 HB2 SER D 70 -11.252 -4.206 -4.726 1.00 0.00 H new ATOM 0 HB3 SER D 70 -10.157 -3.406 -3.616 1.00 0.00 H new ATOM 0 HG SER D 70 -10.357 -5.677 -3.167 1.00 0.00 H new ATOM 1071 N THR D 71 -12.879 -2.638 -0.972 1.00 0.00 N ATOM 1072 CA THR D 71 -12.772 -2.036 0.335 1.00 0.00 C ATOM 1073 C THR D 71 -11.428 -2.375 0.968 1.00 0.00 C ATOM 1074 O THR D 71 -11.061 -3.546 1.019 1.00 0.00 O ATOM 1075 CB THR D 71 -13.907 -2.531 1.189 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.912 -3.944 1.257 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.260 -2.082 0.683 1.00 0.00 C ATOM 0 H THR D 71 -13.713 -3.208 -1.114 1.00 0.00 H new ATOM 0 HA THR D 71 -12.832 -0.951 0.248 1.00 0.00 H new ATOM 0 HB THR D 71 -13.741 -2.100 2.176 1.00 0.00 H new ATOM 0 HG1 THR D 71 -13.966 -4.226 2.194 1.00 0.00 H new ATOM 0 HG21 THR D 71 -16.040 -2.469 1.338 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.302 -0.993 0.673 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.414 -2.460 -0.328 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.662 -1.352 1.376 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.333 -1.551 1.930 1.00 0.00 C ATOM 1087 C VAL D 72 -9.326 -2.547 3.088 1.00 0.00 C ATOM 1088 O VAL D 72 -8.297 -3.153 3.390 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.645 -0.225 2.334 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.529 0.081 1.351 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.623 0.942 2.324 1.00 0.00 C ATOM 0 H VAL D 72 -10.952 -0.375 1.328 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.744 -1.984 1.122 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.256 -0.348 3.345 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -7.042 1.015 1.633 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.799 -0.728 1.366 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -7.944 0.176 0.348 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.103 1.855 2.613 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -10.037 1.061 1.323 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.431 0.746 3.029 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.517 -2.861 3.581 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.681 -3.944 4.509 1.00 0.00 C ATOM 1103 C GLY D 73 -10.482 -5.287 3.859 1.00 0.00 C ATOM 1104 O GLY D 73 -9.609 -6.059 4.254 1.00 0.00 O ATOM 0 H GLY D 73 -11.380 -2.371 3.345 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -9.970 -3.830 5.327 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.679 -3.898 4.945 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.275 -5.546 2.831 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.177 -6.789 2.075 1.00 0.00 C ATOM 1110 C ASN D 74 -9.890 -6.833 1.260 1.00 0.00 C ATOM 1111 O ASN D 74 -9.396 -7.909 0.934 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.396 -6.967 1.160 1.00 0.00 C ATOM 1113 CG ASN D 74 -13.691 -7.145 1.935 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -14.030 -6.335 2.799 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -14.441 -8.191 1.611 1.00 0.00 N ATOM 0 H ASN D 74 -11.999 -4.909 2.498 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.157 -7.613 2.788 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -12.485 -6.099 0.507 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.240 -7.834 0.518 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -15.332 -8.346 2.083 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -14.127 -8.840 0.890 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.282 -5.670 1.048 1.00 0.00 N ATOM 1123 CA ILE D 75 -7.969 -5.618 0.397 1.00 0.00 C ATOM 1124 C ILE D 75 -6.900 -6.140 1.340 1.00 0.00 C ATOM 1125 O ILE D 75 -6.019 -6.882 0.933 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.559 -4.199 -0.037 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.516 -3.607 -1.079 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.135 -4.194 -0.571 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.136 -2.195 -1.476 1.00 0.00 C ATOM 0 H ILE D 75 -9.666 -4.762 1.311 1.00 0.00 H new ATOM 0 HA ILE D 75 -8.055 -6.237 -0.496 1.00 0.00 H new ATOM 0 HB ILE D 75 -7.614 -3.568 0.850 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -8.522 -4.242 -1.965 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -9.530 -3.609 -0.679 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -5.863 -3.183 -0.873 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.453 -4.536 0.208 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.067 -4.860 -1.431 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -8.845 -1.822 -2.215 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -8.157 -1.552 -0.596 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -7.133 -2.194 -1.902 1.00 0.00 H new ATOM 1141 N SER D 76 -6.977 -5.748 2.605 1.00 0.00 N ATOM 1142 CA SER D 76 -5.996 -6.197 3.584 1.00 0.00 C ATOM 1143 C SER D 76 -6.222 -7.655 3.929 1.00 0.00 C ATOM 1144 O SER D 76 -5.266 -8.388 4.174 1.00 0.00 O ATOM 1145 CB SER D 76 -6.029 -5.324 4.838 1.00 0.00 C ATOM 1146 OG SER D 76 -5.128 -5.803 5.821 1.00 0.00 O ATOM 0 H SER D 76 -7.698 -5.128 2.974 1.00 0.00 H new ATOM 0 HA SER D 76 -5.004 -6.100 3.142 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.773 -4.297 4.576 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.040 -5.307 5.245 1.00 0.00 H new ATOM 0 HG SER D 76 -5.281 -5.328 6.664 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.445 -8.119 3.705 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.719 -9.547 3.743 1.00 0.00 C ATOM 1154 C ASN D 77 -6.874 -10.235 2.682 1.00 0.00 C ATOM 1155 O ASN D 77 -6.439 -11.366 2.863 1.00 0.00 O ATOM 1156 CB ASN D 77 -9.202 -9.839 3.487 1.00 0.00 C ATOM 1157 CG ASN D 77 -10.124 -9.333 4.584 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -9.558 -8.803 5.659 1.00 0.00 O flip ATOM 1159 ND2 ASN D 77 -11.344 -9.438 4.468 1.00 0.00 N flip ATOM 0 H ASN D 77 -8.254 -7.533 3.497 1.00 0.00 H new ATOM 0 HA ASN D 77 -7.470 -9.924 4.735 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.494 -9.384 2.541 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -9.338 -10.915 3.379 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -11.742 -9.852 3.625 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -11.957 -9.111 5.215 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.595 -9.498 1.601 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.742 -9.979 0.519 1.00 0.00 C ATOM 1168 C ASP D 78 -4.265 -9.694 0.767 1.00 0.00 C ATOM 1169 O ASP D 78 -3.408 -10.439 0.307 1.00 0.00 O ATOM 1170 CB ASP D 78 -6.162 -9.368 -0.825 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.484 -9.898 -1.327 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -7.602 -11.127 -1.493 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -8.396 -9.090 -1.582 1.00 0.00 O1- ATOM 0 H ASP D 78 -6.955 -8.555 1.456 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.873 -11.061 0.485 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.227 -8.285 -0.721 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.390 -9.571 -1.567 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.947 -8.604 1.446 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.548 -8.262 1.664 1.00 0.00 C ATOM 1180 C ILE D 79 -1.924 -9.221 2.673 1.00 0.00 C ATOM 1181 O ILE D 79 -0.707 -9.408 2.706 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.369 -6.793 2.123 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.163 -5.878 1.205 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -0.902 -6.400 2.041 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -3.150 -4.426 1.617 1.00 0.00 C ATOM 0 H ILE D 79 -4.621 -7.952 1.849 1.00 0.00 H new ATOM 0 HA ILE D 79 -2.033 -8.362 0.709 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.721 -6.699 3.150 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -2.764 -5.961 0.194 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -4.196 -6.225 1.169 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.784 -5.366 2.365 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.314 -7.052 2.687 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.556 -6.500 1.012 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -3.739 -3.842 0.910 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -3.578 -4.327 2.615 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.124 -4.059 1.624 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.784 -9.919 3.403 1.00 0.00 N ATOM 1198 CA ASN D 80 -2.351 -10.963 4.309 1.00 0.00 C ATOM 1199 C ASN D 80 -1.778 -12.148 3.540 1.00 0.00 C ATOM 1200 O ASN D 80 -0.736 -12.689 3.913 1.00 0.00 O ATOM 1201 CB ASN D 80 -3.522 -11.414 5.180 1.00 0.00 C ATOM 1202 CG ASN D 80 -3.976 -10.352 6.168 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -3.283 -9.222 6.202 1.00 0.00 O flip ATOM 1204 ND2 ASN D 80 -4.938 -10.553 6.904 1.00 0.00 N flip ATOM 0 H ASN D 80 -3.794 -9.775 3.381 1.00 0.00 H new ATOM 0 HA ASN D 80 -1.564 -10.562 4.948 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -4.360 -11.686 4.538 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -3.235 -12.312 5.728 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -5.447 -11.435 6.849 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -5.228 -9.838 7.571 1.00 0.00 H new ATOM 1211 N LYS D 81 -2.415 -12.512 2.424 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.897 -13.584 1.588 1.00 0.00 C ATOM 1213 C LYS D 81 -0.782 -13.096 0.664 1.00 0.00 C ATOM 1214 O LYS D 81 0.305 -13.668 0.657 1.00 0.00 O ATOM 1215 CB LYS D 81 -2.996 -14.290 0.780 1.00 0.00 C ATOM 1216 CG LYS D 81 -3.960 -13.374 0.062 1.00 0.00 C ATOM 1217 CD LYS D 81 -5.154 -13.051 0.936 1.00 0.00 C ATOM 1218 CE LYS D 81 -5.952 -14.294 1.305 1.00 0.00 C ATOM 1219 NZ LYS D 81 -6.473 -15.008 0.108 1.00 0.00 N1+ ATOM 0 H LYS D 81 -3.277 -12.084 2.087 1.00 0.00 H new ATOM 0 HA LYS D 81 -1.476 -14.319 2.273 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -2.522 -14.940 0.044 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -3.564 -14.932 1.454 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -3.451 -12.452 -0.219 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -4.297 -13.846 -0.861 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.813 -12.558 1.846 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.803 -12.347 0.415 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -5.321 -14.970 1.882 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -6.786 -14.010 1.947 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -7.145 -15.743 0.407 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -6.956 -14.331 -0.517 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -5.683 -15.449 -0.404 1.00 0.00 H new ATOM 1233 N LEU D 82 -1.043 -12.042 -0.112 1.00 0.00 N ATOM 1234 CA LEU D 82 -0.050 -11.492 -1.028 1.00 0.00 C ATOM 1235 C LEU D 82 1.273 -11.170 -0.338 1.00 0.00 C ATOM 1236 O LEU D 82 2.323 -11.242 -0.969 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.605 -10.260 -1.706 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.558 -10.543 -2.865 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.814 -11.178 -4.025 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.727 -11.424 -2.468 1.00 0.00 C ATOM 0 H LEU D 82 -1.938 -11.553 -0.122 1.00 0.00 H new ATOM 0 HA LEU D 82 0.164 -12.258 -1.774 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -1.127 -9.657 -0.963 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.226 -9.660 -2.076 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.965 -9.579 -3.169 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -1.510 -11.372 -4.841 1.00 0.00 H new ATOM 0 HD12 LEU D 82 -0.031 -10.502 -4.369 1.00 0.00 H new ATOM 0 HD13 LEU D 82 -0.366 -12.117 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -3.368 -11.589 -3.334 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -2.354 -12.382 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -3.300 -10.935 -1.680 1.00 0.00 H new ATOM 1252 N ASN D 83 1.203 -10.893 0.973 1.00 0.00 N ATOM 1253 CA ASN D 83 2.385 -10.637 1.816 1.00 0.00 C ATOM 1254 C ASN D 83 3.431 -9.809 1.067 1.00 0.00 C ATOM 1255 O ASN D 83 4.468 -10.331 0.653 1.00 0.00 O ATOM 1256 CB ASN D 83 2.991 -11.971 2.279 1.00 0.00 C ATOM 1257 CG ASN D 83 4.124 -11.823 3.288 1.00 0.00 C ATOM 1258 OD1 ASN D 83 4.417 -10.599 3.706 1.00 0.00 O flip ATOM 1259 ND2 ASN D 83 4.720 -12.814 3.709 1.00 0.00 N flip ATOM 0 H ASN D 83 0.321 -10.840 1.482 1.00 0.00 H new ATOM 0 HA ASN D 83 2.068 -10.063 2.687 1.00 0.00 H new ATOM 0 HB2 ASN D 83 2.203 -12.582 2.720 1.00 0.00 H new ATOM 0 HB3 ASN D 83 3.363 -12.511 1.408 1.00 0.00 H new ATOM 0 HD21 ASN D 83 4.471 -13.742 3.367 1.00 0.00 H new ATOM 0 HD22 ASN D 83 5.463 -12.707 4.399 1.00 0.00 H new ATOM 1266 N ILE D 84 3.107 -8.555 0.790 1.00 0.00 N ATOM 1267 CA ILE D 84 3.976 -7.730 -0.034 1.00 0.00 C ATOM 1268 C ILE D 84 5.086 -7.082 0.785 1.00 0.00 C ATOM 1269 O ILE D 84 4.890 -6.034 1.392 1.00 0.00 O ATOM 1270 CB ILE D 84 3.176 -6.642 -0.772 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.048 -7.266 -1.600 1.00 0.00 C ATOM 1272 CG2 ILE D 84 4.094 -5.836 -1.674 1.00 0.00 C ATOM 1273 CD1 ILE D 84 2.538 -8.206 -2.682 1.00 0.00 C ATOM 0 H ILE D 84 2.260 -8.091 1.119 1.00 0.00 H new ATOM 0 HA ILE D 84 4.433 -8.394 -0.768 1.00 0.00 H new ATOM 0 HB ILE D 84 2.735 -5.979 -0.028 1.00 0.00 H new ATOM 0 HG12 ILE D 84 1.378 -7.810 -0.934 1.00 0.00 H new ATOM 0 HG13 ILE D 84 1.463 -6.470 -2.060 1.00 0.00 H new ATOM 0 HG21 ILE D 84 3.516 -5.070 -2.190 1.00 0.00 H new ATOM 0 HG22 ILE D 84 4.870 -5.362 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE D 84 4.556 -6.497 -2.407 1.00 0.00 H new ATOM 0 HD11 ILE D 84 1.685 -8.610 -3.227 1.00 0.00 H new ATOM 0 HD12 ILE D 84 3.184 -7.662 -3.371 1.00 0.00 H new ATOM 0 HD13 ILE D 84 3.098 -9.023 -2.228 1.00 0.00 H new ATOM 1285 N LYS D 85 6.269 -7.680 0.758 1.00 0.00 N ATOM 1286 CA LYS D 85 7.400 -7.120 1.465 1.00 0.00 C ATOM 1287 C LYS D 85 8.682 -7.389 0.674 1.00 0.00 C ATOM 1288 O LYS D 85 9.303 -8.447 0.799 1.00 0.00 O ATOM 1289 CB LYS D 85 7.456 -7.725 2.879 1.00 0.00 C ATOM 1290 CG LYS D 85 8.319 -6.963 3.875 1.00 0.00 C ATOM 1291 CD LYS D 85 9.798 -7.041 3.536 1.00 0.00 C ATOM 1292 CE LYS D 85 10.641 -6.197 4.479 1.00 0.00 C ATOM 1293 NZ LYS D 85 12.092 -6.292 4.161 1.00 0.00 N1+ ATOM 0 H LYS D 85 6.465 -8.546 0.257 1.00 0.00 H new ATOM 0 HA LYS D 85 7.296 -6.039 1.563 1.00 0.00 H new ATOM 0 HB2 LYS D 85 6.441 -7.784 3.272 1.00 0.00 H new ATOM 0 HB3 LYS D 85 7.829 -8.746 2.806 1.00 0.00 H new ATOM 0 HG2 LYS D 85 8.008 -5.918 3.897 1.00 0.00 H new ATOM 0 HG3 LYS D 85 8.156 -7.365 4.875 1.00 0.00 H new ATOM 0 HD2 LYS D 85 10.127 -8.079 3.585 1.00 0.00 H new ATOM 0 HD3 LYS D 85 9.954 -6.705 2.511 1.00 0.00 H new ATOM 0 HE2 LYS D 85 10.323 -5.156 4.417 1.00 0.00 H new ATOM 0 HE3 LYS D 85 10.472 -6.521 5.506 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 12.632 -5.703 4.826 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 12.402 -7.281 4.245 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 12.257 -5.958 3.190 1.00 0.00 H new ATOM 1307 N GLY D 86 9.076 -6.406 -0.126 1.00 0.00 N ATOM 1308 CA GLY D 86 10.287 -6.504 -0.924 1.00 0.00 C ATOM 1309 C GLY D 86 10.147 -7.356 -2.148 1.00 0.00 C ATOM 1310 O GLY D 86 9.251 -8.197 -2.251 1.00 0.00 O ATOM 0 H GLY D 86 8.570 -5.528 -0.238 1.00 0.00 H new ATOM 0 HA2 GLY D 86 10.593 -5.502 -1.225 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.087 -6.908 -0.303 1.00 0.00 H new ATOM 1314 N PRO D 87 11.043 -7.129 -3.110 1.00 0.00 N ATOM 1315 CA PRO D 87 12.108 -6.118 -2.974 1.00 0.00 C ATOM 1316 C PRO D 87 11.628 -4.685 -3.266 1.00 0.00 C ATOM 1317 O PRO D 87 10.435 -4.482 -3.433 1.00 0.00 O ATOM 1318 CB PRO D 87 13.126 -6.600 -3.992 1.00 0.00 C ATOM 1319 CG PRO D 87 12.316 -7.233 -5.072 1.00 0.00 C ATOM 1320 CD PRO D 87 11.109 -7.841 -4.397 1.00 0.00 C ATOM 0 HA PRO D 87 12.496 -6.041 -1.958 1.00 0.00 H new ATOM 0 HB2 PRO D 87 13.722 -5.773 -4.378 1.00 0.00 H new ATOM 0 HB3 PRO D 87 13.821 -7.314 -3.549 1.00 0.00 H new ATOM 0 HG2 PRO D 87 12.015 -6.495 -5.815 1.00 0.00 H new ATOM 0 HG3 PRO D 87 12.894 -7.995 -5.595 1.00 0.00 H new ATOM 0 HD2 PRO D 87 10.203 -7.693 -4.985 1.00 0.00 H new ATOM 0 HD3 PRO D 87 11.226 -8.916 -4.256 1.00 0.00 H new ATOM 1328 N TYR D 88 12.567 -3.711 -3.222 1.00 0.00 N ATOM 1329 CA TYR D 88 12.294 -2.253 -3.382 1.00 0.00 C ATOM 1330 C TYR D 88 10.881 -1.934 -3.878 1.00 0.00 C ATOM 1331 O TYR D 88 10.586 -2.071 -5.061 1.00 0.00 O ATOM 1332 CB TYR D 88 13.306 -1.613 -4.342 1.00 0.00 C ATOM 1333 CG TYR D 88 14.737 -1.575 -3.829 1.00 0.00 C ATOM 1334 CD1 TYR D 88 15.366 -2.712 -3.339 1.00 0.00 C ATOM 1335 CD2 TYR D 88 15.452 -0.385 -3.834 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.663 -2.662 -2.869 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.750 -0.329 -3.367 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.349 -1.470 -2.884 1.00 0.00 C ATOM 1339 OH TYR D 88 18.639 -1.419 -2.416 1.00 0.00 O ATOM 0 H TYR D 88 13.555 -3.914 -3.072 1.00 0.00 H new ATOM 0 HA TYR D 88 12.390 -1.834 -2.380 1.00 0.00 H new ATOM 0 HB2 TYR D 88 13.287 -2.160 -5.285 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.986 -0.594 -4.559 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.832 -3.651 -3.325 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.984 0.513 -4.210 1.00 0.00 H new ATOM 0 HE1 TYR D 88 17.137 -3.556 -2.491 1.00 0.00 H new ATOM 0 HE2 TYR D 88 17.292 0.605 -3.381 1.00 0.00 H new ATOM 0 HH TYR D 88 18.981 -0.504 -2.498 1.00 0.00 H new ATOM 1349 N ILE D 89 9.991 -1.621 -2.948 1.00 0.00 N ATOM 1350 CA ILE D 89 8.579 -1.430 -3.259 1.00 0.00 C ATOM 1351 C ILE D 89 8.220 0.021 -3.554 1.00 0.00 C ATOM 1352 O ILE D 89 8.666 0.941 -2.867 1.00 0.00 O ATOM 1353 CB ILE D 89 7.713 -1.932 -2.095 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.080 -3.378 -1.760 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.254 -1.874 -2.471 1.00 0.00 C ATOM 1356 CD1 ILE D 89 7.247 -3.956 -0.649 1.00 0.00 C ATOM 0 H ILE D 89 10.223 -1.493 -1.963 1.00 0.00 H new ATOM 0 HA ILE D 89 8.383 -2.005 -4.164 1.00 0.00 H new ATOM 0 HB ILE D 89 7.893 -1.295 -1.229 1.00 0.00 H new ATOM 0 HG12 ILE D 89 7.962 -3.993 -2.652 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.132 -3.424 -1.479 1.00 0.00 H new ATOM 0 HG21 ILE D 89 5.649 -2.232 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE D 89 5.979 -0.845 -2.703 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.078 -2.502 -3.344 1.00 0.00 H new ATOM 0 HD11 ILE D 89 7.556 -4.984 -0.459 1.00 0.00 H new ATOM 0 HD12 ILE D 89 7.384 -3.363 0.255 1.00 0.00 H new ATOM 0 HD13 ILE D 89 6.196 -3.941 -0.937 1.00 0.00 H new ATOM 1368 N GLU D 90 7.302 0.183 -4.502 1.00 0.00 N ATOM 1369 CA GLU D 90 6.728 1.483 -4.828 1.00 0.00 C ATOM 1370 C GLU D 90 5.199 1.378 -4.860 1.00 0.00 C ATOM 1371 O GLU D 90 4.611 0.991 -5.875 1.00 0.00 O ATOM 1372 CB GLU D 90 7.246 1.974 -6.184 1.00 0.00 C ATOM 1373 CG GLU D 90 6.803 3.386 -6.536 1.00 0.00 C ATOM 1374 CD GLU D 90 7.367 4.411 -5.584 1.00 0.00 C ATOM 1375 OE1 GLU D 90 8.604 4.523 -5.504 1.00 0.00 O ATOM 1376 OE2 GLU D 90 6.578 5.101 -4.910 1.00 0.00 O1- ATOM 0 H GLU D 90 6.935 -0.584 -5.066 1.00 0.00 H new ATOM 0 HA GLU D 90 7.026 2.200 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU D 90 8.335 1.935 -6.182 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.904 1.291 -6.962 1.00 0.00 H new ATOM 0 HG2 GLU D 90 7.120 3.622 -7.552 1.00 0.00 H new ATOM 0 HG3 GLU D 90 5.714 3.438 -6.521 1.00 0.00 H new ATOM 1383 N ILE D 91 4.577 1.640 -3.723 1.00 0.00 N ATOM 1384 CA ILE D 91 3.133 1.503 -3.571 1.00 0.00 C ATOM 1385 C ILE D 91 2.479 2.883 -3.764 1.00 0.00 C ATOM 1386 O ILE D 91 2.746 3.809 -2.995 1.00 0.00 O ATOM 1387 CB ILE D 91 2.803 0.957 -2.158 1.00 0.00 C ATOM 1388 CG1 ILE D 91 3.891 0.017 -1.679 1.00 0.00 C ATOM 1389 CG2 ILE D 91 1.504 0.174 -2.144 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.665 -0.493 -0.273 1.00 0.00 C ATOM 0 H ILE D 91 5.055 1.953 -2.878 1.00 0.00 H new ATOM 0 HA ILE D 91 2.748 0.806 -4.315 1.00 0.00 H new ATOM 0 HB ILE D 91 2.720 1.828 -1.507 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.954 -0.832 -2.360 1.00 0.00 H new ATOM 0 HG13 ILE D 91 4.851 0.532 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE D 91 1.310 -0.191 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE D 91 0.686 0.821 -2.459 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.582 -0.672 -2.827 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.480 -1.160 0.007 1.00 0.00 H new ATOM 0 HD12 ILE D 91 3.631 0.349 0.418 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.721 -1.036 -0.230 1.00 0.00 H new ATOM 1402 N LYS D 92 1.631 3.018 -4.787 1.00 0.00 N ATOM 1403 CA LYS D 92 0.944 4.281 -5.079 1.00 0.00 C ATOM 1404 C LYS D 92 -0.248 4.052 -6.004 1.00 0.00 C ATOM 1405 O LYS D 92 -0.379 2.975 -6.593 1.00 0.00 O ATOM 1406 CB LYS D 92 1.916 5.328 -5.671 1.00 0.00 C ATOM 1407 CG LYS D 92 2.743 4.877 -6.882 1.00 0.00 C ATOM 1408 CD LYS D 92 1.864 4.327 -7.985 1.00 0.00 C ATOM 1409 CE LYS D 92 2.550 4.280 -9.340 1.00 0.00 C ATOM 1410 NZ LYS D 92 3.909 3.674 -9.269 1.00 0.00 N1+ ATOM 0 H LYS D 92 1.402 2.262 -5.432 1.00 0.00 H new ATOM 0 HA LYS D 92 0.567 4.679 -4.137 1.00 0.00 H new ATOM 0 HB2 LYS D 92 1.339 6.207 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS D 92 2.603 5.641 -4.885 1.00 0.00 H new ATOM 0 HG2 LYS D 92 3.321 5.719 -7.263 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.458 4.115 -6.572 1.00 0.00 H new ATOM 0 HD2 LYS D 92 1.542 3.321 -7.715 1.00 0.00 H new ATOM 0 HD3 LYS D 92 0.966 4.940 -8.062 1.00 0.00 H new ATOM 0 HE2 LYS D 92 1.936 3.707 -10.035 1.00 0.00 H new ATOM 0 HE3 LYS D 92 2.627 5.291 -9.740 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 4.368 3.742 -10.200 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 4.479 4.183 -8.564 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 3.829 2.674 -8.994 1.00 0.00 H new ATOM 1424 N GLN D 93 -1.040 5.095 -6.240 1.00 0.00 N ATOM 1425 CA GLN D 93 -2.103 4.983 -7.225 1.00 0.00 C ATOM 1426 C GLN D 93 -1.603 5.315 -8.615 1.00 0.00 C ATOM 1427 O GLN D 93 -0.517 5.868 -8.789 1.00 0.00 O ATOM 1428 CB GLN D 93 -3.312 5.834 -6.897 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.986 7.294 -6.689 1.00 0.00 C ATOM 1430 CD GLN D 93 -4.195 8.112 -6.271 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -5.352 7.467 -6.198 1.00 0.00 O flip ATOM 1432 NE2 GLN D 93 -4.091 9.312 -6.024 1.00 0.00 N flip ATOM 0 H GLN D 93 -0.968 6.001 -5.776 1.00 0.00 H new ATOM 0 HA GLN D 93 -2.423 3.941 -7.196 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -4.039 5.744 -7.704 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.786 5.444 -5.996 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -2.211 7.384 -5.928 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -2.576 7.705 -7.611 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -3.182 9.770 -6.092 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -4.914 9.850 -5.751 1.00 0.00 H new ATOM 1441 N ILE D 94 -2.317 4.799 -9.588 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.882 4.825 -10.967 1.00 0.00 C ATOM 1443 C ILE D 94 -3.001 5.288 -11.895 1.00 0.00 C ATOM 1444 O ILE D 94 -3.033 4.849 -13.062 1.00 0.00 O ATOM 1445 CB ILE D 94 -1.426 3.420 -11.353 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.524 2.435 -10.989 1.00 0.00 C ATOM 1447 CG2 ILE D 94 -0.130 3.053 -10.659 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -2.126 0.994 -11.096 1.00 0.00 C ATOM 1449 OXT ILE D 94 -3.839 6.093 -11.449 1.00 0.00 O ATOM 0 H ILE D 94 -3.220 4.347 -9.446 1.00 0.00 H new ATOM 0 HA ILE D 94 -1.061 5.534 -11.070 1.00 0.00 H new ATOM 0 HB ILE D 94 -1.238 3.386 -12.426 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.850 2.634 -9.968 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -3.382 2.611 -11.637 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.169 2.047 -10.954 1.00 0.00 H new ATOM 0 HG22 ILE D 94 0.648 3.761 -10.944 1.00 0.00 H new ATOM 0 HG23 ILE D 94 -0.273 3.087 -9.579 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -2.969 0.362 -10.818 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -1.830 0.774 -12.122 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -1.289 0.797 -10.426 1.00 0.00 H new TER 1461 ILE D 94