USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=33 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 35 GLN : amide:sc= 0.0899 K(o=1.3,f=-9.8!) USER MOD Set 1.2: D 85 LYS NZ :NH3+ 140:sc= 1.24 (180deg=0) USER MOD Set 2.1: D 17 ASN : amide:sc= -1.46 K(o=-1.7,f=-4.4!) USER MOD Set 2.2: D 21 ASN :FLIP amide:sc= -0.249 F(o=-3.1,f=-1.7) USER MOD Set 2.3: D 28 SER OG : rot 180:sc= 0 USER MOD Set 3.1: D 11 ASN : amide:sc= 0 X(o=-0.071,f=-0.34) USER MOD Set 3.2: D 15 SER OG : rot -160:sc= -0.0715 USER MOD Set 4.1: D 2 ASN : amide:sc= -0.336 K(o=-0.5,f=-2.3) USER MOD Set 4.2: D 10 MET CE :methyl 171:sc= -0.162 (180deg=-0.409) USER MOD Single : D 1 ASP N :NH3+ 146:sc= 0.776 (180deg=0.3) USER MOD Single : D 3 GLN : amide:sc= -0.0874 X(o=-0.087,f=-0.087) USER MOD Single : D 4 LYS NZ :NH3+ -169:sc= -0.0391 (180deg=-0.254) USER MOD Single : D 9 GLN : amide:sc= -6.17! C(o=-6.2!,f=-6.6!) USER MOD Single : D 12 SER OG : rot 180:sc= 0 USER MOD Single : D 14 ASN : amide:sc= 0.354 X(o=0.35,f=-0.037) USER MOD Single : D 19 LYS NZ :NH3+ 156:sc= -0.0227 (180deg=-0.483) USER MOD Single : D 22 LYS NZ :NH3+ 147:sc= -5.64! (180deg=-9.73!) USER MOD Single : D 24 LYS NZ :NH3+ -143:sc= -0.173 (180deg=-0.781) USER MOD Single : D 26 LYS NZ :NH3+ -126:sc= -1.68! (180deg=-4.17!) USER MOD Single : D 30 SER OG : rot 180:sc= -0.181 USER MOD Single : D 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 32 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : D 34 ASN :FLIP amide:sc= 0 F(o=-2,f=0) USER MOD Single : D 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 39 THR OG1 : rot 180:sc= -3.99! USER MOD Single : D 40 SER OG : rot 39:sc= -3.63! USER MOD Single : D 41 SER OG : rot 180:sc= 0 USER MOD Single : D 42 ASN : amide:sc= -0.0717 X(o=-0.072,f=-0.0099) 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+ -168:sc= -0.0138 (180deg=-0.157) USER MOD Single : D 53 ASN :FLIP amide:sc= -0.0962 F(o=-2.5!,f=-0.096) USER MOD Single : D 59 ASN : amide:sc= -0.61 K(o=-0.61,f=-1.2) USER MOD Single : D 62 LYS NZ :NH3+ 164:sc= -0.0628 (180deg=-0.388) USER MOD Single : D 64 TYR OH : rot 30:sc= 0 USER MOD Single : D 65 THR OG1 : rot 180:sc= 0 USER MOD Single : D 67 ASN : amide:sc= -1.33! C(o=-1.3!,f=-10!) USER MOD Single : D 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 70 SER OG : rot 180:sc= 0 USER MOD Single : D 71 THR OG1 : rot 180:sc= 0 USER MOD Single : D 74 ASN : amide:sc= -0.0122 X(o=-0.012,f=-0.012) USER MOD Single : D 76 SER OG : rot -170:sc= 0 USER MOD Single : D 77 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : D 80 ASN :FLIP amide:sc=-0.00422 F(o=-1.5!,f=-0.0042) USER MOD Single : D 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 83 ASN :FLIP amide:sc= -1.52 F(o=-5.1!,f=-1.5) USER MOD Single : D 88 TYR OH : rot 180:sc= 0 USER MOD Single : D 92 LYS NZ :NH3+ -161:sc= 1.1 (180deg=0.935) USER MOD Single : D 93 GLN : amide:sc= 0 X(o=0,f=-0.0001) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP D 1 18.596 2.453 10.060 1.00 0.00 N ATOM 2 CA ASP D 1 18.692 3.081 8.721 1.00 0.00 C ATOM 3 C ASP D 1 17.997 4.433 8.712 1.00 0.00 C ATOM 4 O ASP D 1 16.854 4.552 9.158 1.00 0.00 O ATOM 5 CB ASP D 1 18.051 2.152 7.686 1.00 0.00 C ATOM 6 CG ASP D 1 18.728 0.805 7.613 1.00 0.00 C ATOM 7 OD1 ASP D 1 18.731 0.085 8.626 1.00 0.00 O ATOM 8 OD2 ASP D 1 19.263 0.466 6.539 1.00 0.00 O1- ATOM 0 H1 ASP D 1 18.521 1.421 9.955 1.00 0.00 H new ATOM 0 H2 ASP D 1 19.446 2.684 10.613 1.00 0.00 H new ATOM 0 H3 ASP D 1 17.754 2.813 10.553 1.00 0.00 H new ATOM 0 HA ASP D 1 19.742 3.238 8.474 1.00 0.00 H new ATOM 0 HB2 ASP D 1 16.998 2.012 7.932 1.00 0.00 H new ATOM 0 HB3 ASP D 1 18.089 2.626 6.705 1.00 0.00 H new ATOM 13 N ASN D 2 18.693 5.451 8.215 1.00 0.00 N ATOM 14 CA ASN D 2 18.149 6.807 8.158 1.00 0.00 C ATOM 15 C ASN D 2 19.078 7.724 7.375 1.00 0.00 C ATOM 16 O ASN D 2 18.624 8.562 6.595 1.00 0.00 O ATOM 17 CB ASN D 2 17.938 7.359 9.578 1.00 0.00 C ATOM 18 CG ASN D 2 17.350 8.760 9.605 1.00 0.00 C ATOM 19 OD1 ASN D 2 17.968 9.725 9.148 1.00 0.00 O ATOM 20 ND2 ASN D 2 16.145 8.881 10.140 1.00 0.00 N ATOM 0 H ASN D 2 19.639 5.363 7.844 1.00 0.00 H new ATOM 0 HA ASN D 2 17.186 6.768 7.648 1.00 0.00 H new ATOM 0 HB2 ASN D 2 17.278 6.686 10.126 1.00 0.00 H new ATOM 0 HB3 ASN D 2 18.894 7.365 10.102 1.00 0.00 H new ATOM 0 HD21 ASN D 2 15.696 9.796 10.185 1.00 0.00 H new ATOM 0 HD22 ASN D 2 15.665 8.059 10.508 1.00 0.00 H new ATOM 27 N GLN D 3 20.373 7.624 7.654 1.00 0.00 N ATOM 28 CA GLN D 3 21.361 8.512 7.049 1.00 0.00 C ATOM 29 C GLN D 3 21.387 8.395 5.527 1.00 0.00 C ATOM 30 O GLN D 3 21.222 9.390 4.825 1.00 0.00 O ATOM 31 CB GLN D 3 22.754 8.232 7.611 1.00 0.00 C ATOM 32 CG GLN D 3 22.864 8.436 9.114 1.00 0.00 C ATOM 33 CD GLN D 3 22.492 9.841 9.538 1.00 0.00 C ATOM 34 OE1 GLN D 3 23.084 10.819 9.077 1.00 0.00 O ATOM 35 NE2 GLN D 3 21.510 9.951 10.419 1.00 0.00 N ATOM 0 H GLN D 3 20.764 6.935 8.297 1.00 0.00 H new ATOM 0 HA GLN D 3 21.066 9.531 7.301 1.00 0.00 H new ATOM 0 HB2 GLN D 3 23.032 7.205 7.372 1.00 0.00 H new ATOM 0 HB3 GLN D 3 23.474 8.881 7.112 1.00 0.00 H new ATOM 0 HG2 GLN D 3 22.215 7.723 9.622 1.00 0.00 H new ATOM 0 HG3 GLN D 3 23.884 8.222 9.433 1.00 0.00 H new ATOM 0 HE21 GLN D 3 21.047 9.114 10.774 1.00 0.00 H new ATOM 0 HE22 GLN D 3 21.216 10.873 10.742 1.00 0.00 H new ATOM 44 N LYS D 4 21.547 7.184 5.013 1.00 0.00 N ATOM 45 CA LYS D 4 21.533 6.978 3.581 1.00 0.00 C ATOM 46 C LYS D 4 20.308 6.177 3.205 1.00 0.00 C ATOM 47 O LYS D 4 19.750 6.339 2.122 1.00 0.00 O ATOM 48 CB LYS D 4 22.803 6.261 3.116 1.00 0.00 C ATOM 49 CG LYS D 4 22.881 6.096 1.606 1.00 0.00 C ATOM 50 CD LYS D 4 22.864 7.445 0.899 1.00 0.00 C ATOM 51 CE LYS D 4 22.876 7.287 -0.611 1.00 0.00 C ATOM 52 NZ LYS D 4 24.060 6.522 -1.082 1.00 0.00 N1+ ATOM 0 H LYS D 4 21.687 6.338 5.565 1.00 0.00 H new ATOM 0 HA LYS D 4 21.500 7.948 3.085 1.00 0.00 H new ATOM 0 HB2 LYS D 4 23.674 6.820 3.459 1.00 0.00 H new ATOM 0 HB3 LYS D 4 22.850 5.278 3.585 1.00 0.00 H new ATOM 0 HG2 LYS D 4 23.792 5.557 1.344 1.00 0.00 H new ATOM 0 HG3 LYS D 4 22.042 5.492 1.260 1.00 0.00 H new ATOM 0 HD2 LYS D 4 21.977 8.002 1.200 1.00 0.00 H new ATOM 0 HD3 LYS D 4 23.729 8.030 1.211 1.00 0.00 H new ATOM 0 HE2 LYS D 4 21.966 6.779 -0.929 1.00 0.00 H new ATOM 0 HE3 LYS D 4 22.871 8.272 -1.078 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 24.131 6.595 -2.117 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 24.921 6.912 -0.647 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 23.958 5.523 -0.812 1.00 0.00 H new ATOM 66 N ALA D 5 19.895 5.302 4.109 1.00 0.00 N ATOM 67 CA ALA D 5 18.740 4.471 3.862 1.00 0.00 C ATOM 68 C ALA D 5 17.520 4.995 4.605 1.00 0.00 C ATOM 69 O ALA D 5 17.138 4.458 5.640 1.00 0.00 O ATOM 70 CB ALA D 5 19.026 3.025 4.240 1.00 0.00 C ATOM 0 H ALA D 5 20.343 5.154 5.013 1.00 0.00 H new ATOM 0 HA ALA D 5 18.521 4.507 2.795 1.00 0.00 H new ATOM 0 HB1 ALA D 5 18.143 2.417 4.046 1.00 0.00 H new ATOM 0 HB2 ALA D 5 19.861 2.652 3.647 1.00 0.00 H new ATOM 0 HB3 ALA D 5 19.280 2.969 5.299 1.00 0.00 H new ATOM 76 N LEU D 6 16.929 6.062 4.084 1.00 0.00 N ATOM 77 CA LEU D 6 15.762 6.674 4.710 1.00 0.00 C ATOM 78 C LEU D 6 14.507 6.496 3.857 1.00 0.00 C ATOM 79 O LEU D 6 13.450 7.023 4.195 1.00 0.00 O ATOM 80 CB LEU D 6 15.990 8.174 4.984 1.00 0.00 C ATOM 81 CG LEU D 6 16.213 9.081 3.758 1.00 0.00 C ATOM 82 CD1 LEU D 6 16.228 10.540 4.181 1.00 0.00 C ATOM 83 CD2 LEU D 6 17.517 8.753 3.045 1.00 0.00 C ATOM 0 H LEU D 6 17.238 6.523 3.228 1.00 0.00 H new ATOM 0 HA LEU D 6 15.614 6.161 5.660 1.00 0.00 H new ATOM 0 HB2 LEU D 6 15.129 8.553 5.534 1.00 0.00 H new ATOM 0 HB3 LEU D 6 16.855 8.271 5.640 1.00 0.00 H new ATOM 0 HG LEU D 6 15.389 8.903 3.067 1.00 0.00 H new ATOM 0 HD11 LEU D 6 16.386 11.171 3.306 1.00 0.00 H new ATOM 0 HD12 LEU D 6 15.275 10.794 4.644 1.00 0.00 H new ATOM 0 HD13 LEU D 6 17.034 10.703 4.897 1.00 0.00 H new ATOM 0 HD21 LEU D 6 17.638 9.413 2.186 1.00 0.00 H new ATOM 0 HD22 LEU D 6 18.352 8.893 3.731 1.00 0.00 H new ATOM 0 HD23 LEU D 6 17.496 7.717 2.706 1.00 0.00 H new ATOM 95 N GLU D 7 14.664 5.859 2.698 1.00 0.00 N ATOM 96 CA GLU D 7 13.577 5.734 1.722 1.00 0.00 C ATOM 97 C GLU D 7 12.279 5.237 2.355 1.00 0.00 C ATOM 98 O GLU D 7 11.281 5.961 2.385 1.00 0.00 O ATOM 99 CB GLU D 7 14.001 4.804 0.577 1.00 0.00 C ATOM 100 CG GLU D 7 12.939 4.595 -0.494 1.00 0.00 C ATOM 101 CD GLU D 7 12.521 5.880 -1.166 1.00 0.00 C ATOM 102 OE1 GLU D 7 13.385 6.548 -1.765 1.00 0.00 O ATOM 103 OE2 GLU D 7 11.324 6.223 -1.097 1.00 0.00 O1- ATOM 0 H GLU D 7 15.537 5.419 2.409 1.00 0.00 H new ATOM 0 HA GLU D 7 13.379 6.731 1.328 1.00 0.00 H new ATOM 0 HB2 GLU D 7 14.897 5.211 0.108 1.00 0.00 H new ATOM 0 HB3 GLU D 7 14.273 3.835 0.995 1.00 0.00 H new ATOM 0 HG2 GLU D 7 13.320 3.905 -1.247 1.00 0.00 H new ATOM 0 HG3 GLU D 7 12.064 4.125 -0.044 1.00 0.00 H new ATOM 110 N GLU D 8 12.265 3.983 2.798 1.00 0.00 N ATOM 111 CA GLU D 8 11.051 3.387 3.339 1.00 0.00 C ATOM 112 C GLU D 8 10.783 3.836 4.776 1.00 0.00 C ATOM 113 O GLU D 8 9.788 3.444 5.383 1.00 0.00 O ATOM 114 CB GLU D 8 11.117 1.857 3.226 1.00 0.00 C ATOM 115 CG GLU D 8 12.333 1.236 3.886 1.00 0.00 C ATOM 116 CD GLU D 8 12.397 -0.265 3.715 1.00 0.00 C ATOM 117 OE1 GLU D 8 13.315 -0.886 4.278 1.00 0.00 O ATOM 118 OE2 GLU D 8 11.541 -0.825 3.001 1.00 0.00 O1- ATOM 0 H GLU D 8 13.076 3.364 2.793 1.00 0.00 H new ATOM 0 HA GLU D 8 10.208 3.740 2.744 1.00 0.00 H new ATOM 0 HB2 GLU D 8 10.218 1.432 3.673 1.00 0.00 H new ATOM 0 HB3 GLU D 8 11.110 1.581 2.171 1.00 0.00 H new ATOM 0 HG2 GLU D 8 13.235 1.683 3.467 1.00 0.00 H new ATOM 0 HG3 GLU D 8 12.324 1.475 4.949 1.00 0.00 H new ATOM 125 N GLN D 9 11.651 4.693 5.300 1.00 0.00 N ATOM 126 CA GLN D 9 11.486 5.224 6.649 1.00 0.00 C ATOM 127 C GLN D 9 10.773 6.572 6.648 1.00 0.00 C ATOM 128 O GLN D 9 10.463 7.100 7.717 1.00 0.00 O ATOM 129 CB GLN D 9 12.846 5.400 7.349 1.00 0.00 C ATOM 130 CG GLN D 9 13.586 4.109 7.686 1.00 0.00 C ATOM 131 CD GLN D 9 13.890 3.263 6.473 1.00 0.00 C ATOM 132 OE1 GLN D 9 14.507 3.726 5.518 1.00 0.00 O ATOM 133 NE2 GLN D 9 13.472 2.013 6.506 1.00 0.00 N ATOM 0 H GLN D 9 12.478 5.036 4.811 1.00 0.00 H new ATOM 0 HA GLN D 9 10.880 4.497 7.189 1.00 0.00 H new ATOM 0 HB2 GLN D 9 13.487 6.009 6.711 1.00 0.00 H new ATOM 0 HB3 GLN D 9 12.690 5.960 8.271 1.00 0.00 H new ATOM 0 HG2 GLN D 9 14.519 4.355 8.193 1.00 0.00 H new ATOM 0 HG3 GLN D 9 12.987 3.527 8.386 1.00 0.00 H new ATOM 0 HE21 GLN D 9 12.962 1.667 7.319 1.00 0.00 H new ATOM 0 HE22 GLN D 9 13.658 1.392 5.719 1.00 0.00 H new ATOM 142 N MET D 10 10.641 7.207 5.484 1.00 0.00 N ATOM 143 CA MET D 10 10.108 8.574 5.462 1.00 0.00 C ATOM 144 C MET D 10 8.707 8.659 4.875 1.00 0.00 C ATOM 145 O MET D 10 7.725 8.777 5.604 1.00 0.00 O ATOM 146 CB MET D 10 11.051 9.516 4.714 1.00 0.00 C ATOM 147 CG MET D 10 12.418 9.643 5.366 1.00 0.00 C ATOM 148 SD MET D 10 12.321 10.215 7.074 1.00 0.00 S ATOM 149 CE MET D 10 14.052 10.214 7.534 1.00 0.00 C ATOM 0 H MET D 10 10.885 6.817 4.573 1.00 0.00 H new ATOM 0 HA MET D 10 10.036 8.888 6.503 1.00 0.00 H new ATOM 0 HB2 MET D 10 11.176 9.158 3.692 1.00 0.00 H new ATOM 0 HB3 MET D 10 10.593 10.503 4.652 1.00 0.00 H new ATOM 0 HG2 MET D 10 12.921 8.676 5.338 1.00 0.00 H new ATOM 0 HG3 MET D 10 13.029 10.337 4.788 1.00 0.00 H new ATOM 0 HE1 MET D 10 14.171 10.694 8.505 1.00 0.00 H new ATOM 0 HE2 MET D 10 14.413 9.187 7.590 1.00 0.00 H new ATOM 0 HE3 MET D 10 14.627 10.761 6.787 1.00 0.00 H new ATOM 159 N ASN D 11 8.617 8.604 3.556 1.00 0.00 N ATOM 160 CA ASN D 11 7.329 8.689 2.876 1.00 0.00 C ATOM 161 C ASN D 11 6.868 7.335 2.466 1.00 0.00 C ATOM 162 O ASN D 11 5.679 7.066 2.394 1.00 0.00 O ATOM 163 CB ASN D 11 7.407 9.522 1.609 1.00 0.00 C ATOM 164 CG ASN D 11 7.608 11.000 1.865 1.00 0.00 C ATOM 165 OD1 ASN D 11 8.610 11.408 2.454 1.00 0.00 O ATOM 166 ND2 ASN D 11 6.660 11.814 1.425 1.00 0.00 N ATOM 0 H ASN D 11 9.418 8.501 2.933 1.00 0.00 H new ATOM 0 HA ASN D 11 6.642 9.151 3.585 1.00 0.00 H new ATOM 0 HB2 ASN D 11 8.227 9.154 0.993 1.00 0.00 H new ATOM 0 HB3 ASN D 11 6.490 9.383 1.036 1.00 0.00 H new ATOM 0 HD21 ASN D 11 6.744 12.820 1.569 1.00 0.00 H new ATOM 0 HD22 ASN D 11 5.846 11.435 0.942 1.00 0.00 H new ATOM 173 N SER D 12 7.824 6.585 1.988 1.00 0.00 N ATOM 174 CA SER D 12 7.566 5.336 1.331 1.00 0.00 C ATOM 175 C SER D 12 6.495 4.517 2.046 1.00 0.00 C ATOM 176 O SER D 12 5.432 4.239 1.495 1.00 0.00 O ATOM 177 CB SER D 12 8.868 4.552 1.287 1.00 0.00 C ATOM 178 OG SER D 12 8.681 3.257 0.742 1.00 0.00 O ATOM 0 H SER D 12 8.813 6.828 2.045 1.00 0.00 H new ATOM 0 HA SER D 12 7.192 5.539 0.327 1.00 0.00 H new ATOM 0 HB2 SER D 12 9.600 5.096 0.690 1.00 0.00 H new ATOM 0 HB3 SER D 12 9.276 4.468 2.294 1.00 0.00 H new ATOM 0 HG SER D 12 9.538 2.782 0.727 1.00 0.00 H new ATOM 184 N ILE D 13 6.846 4.050 3.228 1.00 0.00 N ATOM 185 CA ILE D 13 5.997 3.159 4.000 1.00 0.00 C ATOM 186 C ILE D 13 5.113 3.937 4.971 1.00 0.00 C ATOM 187 O ILE D 13 4.184 3.397 5.567 1.00 0.00 O ATOM 188 CB ILE D 13 6.894 2.165 4.746 1.00 0.00 C ATOM 189 CG1 ILE D 13 7.781 1.470 3.733 1.00 0.00 C ATOM 190 CG2 ILE D 13 6.091 1.146 5.541 1.00 0.00 C ATOM 191 CD1 ILE D 13 7.027 0.612 2.738 1.00 0.00 C ATOM 0 H ILE D 13 7.730 4.277 3.683 1.00 0.00 H new ATOM 0 HA ILE D 13 5.327 2.621 3.329 1.00 0.00 H new ATOM 0 HB ILE D 13 7.497 2.714 5.469 1.00 0.00 H new ATOM 0 HG12 ILE D 13 8.352 2.222 3.189 1.00 0.00 H new ATOM 0 HG13 ILE D 13 8.500 0.846 4.263 1.00 0.00 H new ATOM 0 HG21 ILE D 13 6.772 0.464 6.051 1.00 0.00 H new ATOM 0 HG22 ILE D 13 5.475 1.662 6.277 1.00 0.00 H new ATOM 0 HG23 ILE D 13 5.450 0.580 4.865 1.00 0.00 H new ATOM 0 HD11 ILE D 13 7.733 0.150 2.048 1.00 0.00 H new ATOM 0 HD12 ILE D 13 6.478 -0.165 3.270 1.00 0.00 H new ATOM 0 HD13 ILE D 13 6.327 1.233 2.179 1.00 0.00 H new ATOM 203 N ASN D 14 5.384 5.216 5.105 1.00 0.00 N ATOM 204 CA ASN D 14 4.565 6.062 5.978 1.00 0.00 C ATOM 205 C ASN D 14 3.492 6.820 5.209 1.00 0.00 C ATOM 206 O ASN D 14 2.304 6.706 5.509 1.00 0.00 O ATOM 207 CB ASN D 14 5.415 7.031 6.787 1.00 0.00 C ATOM 208 CG ASN D 14 6.334 6.305 7.740 1.00 0.00 C ATOM 209 OD1 ASN D 14 5.882 5.516 8.570 1.00 0.00 O ATOM 210 ND2 ASN D 14 7.624 6.569 7.634 1.00 0.00 N ATOM 0 H ASN D 14 6.150 5.698 4.634 1.00 0.00 H new ATOM 0 HA ASN D 14 4.064 5.385 6.670 1.00 0.00 H new ATOM 0 HB2 ASN D 14 6.006 7.649 6.111 1.00 0.00 H new ATOM 0 HB3 ASN D 14 4.766 7.703 7.348 1.00 0.00 H new ATOM 0 HD21 ASN D 14 8.291 6.111 8.255 1.00 0.00 H new ATOM 0 HD22 ASN D 14 7.953 7.230 6.931 1.00 0.00 H new ATOM 217 N SER D 15 3.902 7.589 4.211 1.00 0.00 N ATOM 218 CA SER D 15 2.956 8.347 3.405 1.00 0.00 C ATOM 219 C SER D 15 2.112 7.420 2.537 1.00 0.00 C ATOM 220 O SER D 15 1.032 7.803 2.102 1.00 0.00 O ATOM 221 CB SER D 15 3.660 9.391 2.541 1.00 0.00 C ATOM 222 OG SER D 15 4.441 10.272 3.339 1.00 0.00 O ATOM 0 H SER D 15 4.879 7.704 3.941 1.00 0.00 H new ATOM 0 HA SER D 15 2.296 8.874 4.094 1.00 0.00 H new ATOM 0 HB2 SER D 15 4.299 8.893 1.811 1.00 0.00 H new ATOM 0 HB3 SER D 15 2.920 9.962 1.980 1.00 0.00 H new ATOM 0 HG SER D 15 4.619 11.096 2.839 1.00 0.00 H new ATOM 228 N VAL D 16 2.548 6.162 2.383 1.00 0.00 N ATOM 229 CA VAL D 16 1.746 5.156 1.682 1.00 0.00 C ATOM 230 C VAL D 16 0.383 5.031 2.351 1.00 0.00 C ATOM 231 O VAL D 16 -0.645 4.910 1.683 1.00 0.00 O ATOM 232 CB VAL D 16 2.439 3.766 1.662 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.610 3.210 3.060 1.00 0.00 C ATOM 234 CG2 VAL D 16 1.665 2.776 0.812 1.00 0.00 C ATOM 0 H VAL D 16 3.444 5.821 2.732 1.00 0.00 H new ATOM 0 HA VAL D 16 1.633 5.487 0.650 1.00 0.00 H new ATOM 0 HB VAL D 16 3.426 3.912 1.222 1.00 0.00 H new ATOM 0 HG11 VAL D 16 3.098 2.237 3.007 1.00 0.00 H new ATOM 0 HG12 VAL D 16 3.222 3.892 3.650 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.633 3.101 3.530 1.00 0.00 H new ATOM 0 HG21 VAL D 16 2.176 1.813 0.819 1.00 0.00 H new ATOM 0 HG22 VAL D 16 0.660 2.656 1.217 1.00 0.00 H new ATOM 0 HG23 VAL D 16 1.602 3.146 -0.211 1.00 0.00 H new ATOM 244 N ASN D 17 0.386 5.179 3.670 1.00 0.00 N ATOM 245 CA ASN D 17 -0.833 5.196 4.453 1.00 0.00 C ATOM 246 C ASN D 17 -1.633 6.430 4.107 1.00 0.00 C ATOM 247 O ASN D 17 -2.839 6.382 4.010 1.00 0.00 O ATOM 248 CB ASN D 17 -0.509 5.232 5.953 1.00 0.00 C ATOM 249 CG ASN D 17 0.295 4.040 6.434 1.00 0.00 C ATOM 250 OD1 ASN D 17 1.354 3.729 5.898 1.00 0.00 O ATOM 251 ND2 ASN D 17 -0.184 3.388 7.479 1.00 0.00 N ATOM 0 H ASN D 17 1.236 5.290 4.223 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.402 4.294 4.227 1.00 0.00 H new ATOM 0 HB2 ASN D 17 0.044 6.145 6.174 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.441 5.280 6.516 1.00 0.00 H new ATOM 0 HD21 ASN D 17 0.331 2.597 7.866 1.00 0.00 H new ATOM 0 HD22 ASN D 17 -1.068 3.676 7.898 1.00 0.00 H new ATOM 258 N ASP D 18 -0.938 7.549 4.015 1.00 0.00 N ATOM 259 CA ASP D 18 -1.555 8.858 3.794 1.00 0.00 C ATOM 260 C ASP D 18 -2.418 8.930 2.530 1.00 0.00 C ATOM 261 O ASP D 18 -3.269 9.812 2.423 1.00 0.00 O ATOM 262 CB ASP D 18 -0.466 9.931 3.725 1.00 0.00 C ATOM 263 CG ASP D 18 0.279 10.093 5.033 1.00 0.00 C ATOM 264 OD1 ASP D 18 1.217 10.913 5.083 1.00 0.00 O ATOM 265 OD2 ASP D 18 -0.074 9.408 6.011 1.00 0.00 O1- ATOM 0 H ASP D 18 0.079 7.583 4.091 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.224 9.029 4.638 1.00 0.00 H new ATOM 0 HB2 ASP D 18 0.242 9.674 2.938 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -0.918 10.884 3.448 1.00 0.00 H new ATOM 270 N LYS D 19 -2.291 7.965 1.622 1.00 0.00 N ATOM 271 CA LYS D 19 -3.187 7.931 0.462 1.00 0.00 C ATOM 272 C LYS D 19 -4.377 7.084 0.793 1.00 0.00 C ATOM 273 O LYS D 19 -5.512 7.371 0.424 1.00 0.00 O ATOM 274 CB LYS D 19 -2.543 7.345 -0.797 1.00 0.00 C ATOM 275 CG LYS D 19 -1.435 8.193 -1.414 1.00 0.00 C ATOM 276 CD LYS D 19 -0.175 8.235 -0.584 1.00 0.00 C ATOM 277 CE LYS D 19 0.550 6.904 -0.623 1.00 0.00 C ATOM 278 NZ LYS D 19 1.008 6.548 -1.992 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.600 7.216 1.660 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.453 8.967 0.250 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -2.135 6.364 -0.554 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -3.320 7.191 -1.545 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -1.196 7.801 -2.403 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -1.802 9.210 -1.554 1.00 0.00 H new ATOM 0 HD2 LYS D 19 0.482 9.021 -0.955 1.00 0.00 H new ATOM 0 HD3 LYS D 19 -0.423 8.487 0.447 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.409 6.942 0.046 1.00 0.00 H new ATOM 0 HE3 LYS D 19 -0.111 6.122 -0.249 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 1.810 5.889 -1.929 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 0.229 6.096 -2.512 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 1.305 7.409 -2.493 1.00 0.00 H new ATOM 292 N LEU D 20 -4.055 5.975 1.404 1.00 0.00 N ATOM 293 CA LEU D 20 -5.009 4.953 1.721 1.00 0.00 C ATOM 294 C LEU D 20 -5.948 5.436 2.815 1.00 0.00 C ATOM 295 O LEU D 20 -7.153 5.168 2.808 1.00 0.00 O ATOM 296 CB LEU D 20 -4.227 3.749 2.196 1.00 0.00 C ATOM 297 CG LEU D 20 -3.165 3.271 1.207 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.384 2.108 1.770 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.803 2.884 -0.117 1.00 0.00 C ATOM 0 H LEU D 20 -3.104 5.755 1.700 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.615 4.702 0.850 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.745 3.992 3.143 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -4.921 2.932 2.392 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.473 4.095 1.034 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.635 1.788 1.046 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.890 2.414 2.692 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -3.063 1.281 1.980 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -3.031 2.546 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.521 2.080 0.046 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -4.316 3.748 -0.540 1.00 0.00 H new ATOM 311 N ASN D 21 -5.368 6.196 3.729 1.00 0.00 N ATOM 312 CA ASN D 21 -6.085 6.808 4.827 1.00 0.00 C ATOM 313 C ASN D 21 -6.993 7.912 4.293 1.00 0.00 C ATOM 314 O ASN D 21 -6.503 8.972 3.908 1.00 0.00 O ATOM 315 CB ASN D 21 -5.089 7.412 5.833 1.00 0.00 C ATOM 316 CG ASN D 21 -4.266 6.386 6.603 1.00 0.00 C ATOM 317 OD1 ASN D 21 -4.436 5.105 6.306 1.00 0.00 O flip ATOM 318 ND2 ASN D 21 -3.458 6.753 7.455 1.00 0.00 N flip ATOM 0 H ASN D 21 -4.370 6.406 3.726 1.00 0.00 H new ATOM 0 HA ASN D 21 -6.686 6.048 5.326 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.410 8.076 5.298 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -5.640 8.026 6.546 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -3.350 7.746 7.661 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -2.896 6.064 7.955 1.00 0.00 H new ATOM 325 N LYS D 22 -8.279 7.626 4.110 1.00 0.00 N ATOM 326 CA LYS D 22 -9.147 8.597 3.432 1.00 0.00 C ATOM 327 C LYS D 22 -10.338 9.057 4.268 1.00 0.00 C ATOM 328 O LYS D 22 -10.708 10.230 4.228 1.00 0.00 O ATOM 329 CB LYS D 22 -9.630 8.014 2.109 1.00 0.00 C ATOM 330 CG LYS D 22 -8.514 7.864 1.083 1.00 0.00 C ATOM 331 CD LYS D 22 -8.944 7.077 -0.147 1.00 0.00 C ATOM 332 CE LYS D 22 -9.090 5.582 0.135 1.00 0.00 C ATOM 333 NZ LYS D 22 -10.147 5.271 1.141 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.735 6.764 4.407 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.540 9.487 3.262 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -10.082 7.039 2.291 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -10.410 8.655 1.699 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -8.175 8.853 0.775 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.664 7.366 1.548 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -9.894 7.469 -0.511 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -8.213 7.224 -0.942 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -9.321 5.065 -0.796 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -8.136 5.191 0.488 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -10.588 4.358 0.910 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -9.720 5.219 2.088 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -10.870 6.018 1.127 1.00 0.00 H new ATOM 347 N GLY D 23 -10.988 8.136 4.956 1.00 0.00 N ATOM 348 CA GLY D 23 -12.173 8.487 5.693 1.00 0.00 C ATOM 349 C GLY D 23 -13.168 7.355 5.737 1.00 0.00 C ATOM 350 O GLY D 23 -13.291 6.691 6.768 1.00 0.00 O ATOM 0 H GLY D 23 -10.715 7.155 5.016 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -11.898 8.767 6.710 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -12.638 9.361 5.237 1.00 0.00 H new ATOM 354 N LYS D 24 -13.806 7.083 4.589 1.00 0.00 N ATOM 355 CA LYS D 24 -14.724 5.949 4.449 1.00 0.00 C ATOM 356 C LYS D 24 -14.018 4.705 4.948 1.00 0.00 C ATOM 357 O LYS D 24 -14.263 4.233 6.056 1.00 0.00 O ATOM 358 CB LYS D 24 -15.105 5.756 2.975 1.00 0.00 C ATOM 359 CG LYS D 24 -16.231 4.773 2.717 1.00 0.00 C ATOM 360 CD LYS D 24 -17.564 5.346 3.147 1.00 0.00 C ATOM 361 CE LYS D 24 -18.717 4.480 2.678 1.00 0.00 C ATOM 362 NZ LYS D 24 -18.667 4.243 1.211 1.00 0.00 N1+ ATOM 0 H LYS D 24 -13.700 7.639 3.740 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.631 6.135 5.024 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -15.388 6.724 2.561 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.222 5.422 2.430 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -16.264 4.523 1.656 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -16.039 3.846 3.257 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -17.591 5.433 4.233 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -17.676 6.353 2.744 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -18.691 3.525 3.202 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -19.661 4.960 2.937 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -19.633 4.239 0.827 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -18.116 4.999 0.756 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -18.216 3.325 1.023 1.00 0.00 H new ATOM 376 N GLY D 25 -12.998 4.315 4.205 1.00 0.00 N ATOM 377 CA GLY D 25 -12.099 3.301 4.663 1.00 0.00 C ATOM 378 C GLY D 25 -10.676 3.715 4.433 1.00 0.00 C ATOM 379 O GLY D 25 -10.411 4.771 3.850 1.00 0.00 O ATOM 0 H GLY D 25 -12.781 4.693 3.283 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.262 3.115 5.724 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.300 2.366 4.141 1.00 0.00 H new ATOM 383 N LYS D 26 -9.773 2.998 5.051 1.00 0.00 N ATOM 384 CA LYS D 26 -8.390 3.389 5.091 1.00 0.00 C ATOM 385 C LYS D 26 -7.497 2.171 5.125 1.00 0.00 C ATOM 386 O LYS D 26 -7.935 1.089 5.512 1.00 0.00 O ATOM 387 CB LYS D 26 -8.209 4.233 6.321 1.00 0.00 C ATOM 388 CG LYS D 26 -9.040 3.686 7.440 1.00 0.00 C ATOM 389 CD LYS D 26 -9.167 4.642 8.617 1.00 0.00 C ATOM 390 CE LYS D 26 -9.900 5.923 8.236 1.00 0.00 C ATOM 391 NZ LYS D 26 -9.017 6.920 7.576 1.00 0.00 N1+ ATOM 0 H LYS D 26 -9.977 2.127 5.540 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.116 3.955 4.200 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.158 4.249 6.611 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.498 5.263 6.112 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -10.035 3.450 7.063 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.601 2.750 7.786 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -9.699 4.148 9.430 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.174 4.890 8.991 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -10.726 5.678 7.568 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -10.335 6.367 9.131 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -9.079 7.827 8.081 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -8.034 6.580 7.595 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -9.319 7.052 6.590 1.00 0.00 H new ATOM 405 N LEU D 27 -6.265 2.339 4.700 1.00 0.00 N ATOM 406 CA LEU D 27 -5.334 1.237 4.661 1.00 0.00 C ATOM 407 C LEU D 27 -3.962 1.656 5.162 1.00 0.00 C ATOM 408 O LEU D 27 -3.541 2.797 4.991 1.00 0.00 O ATOM 409 CB LEU D 27 -5.266 0.681 3.257 1.00 0.00 C ATOM 410 CG LEU D 27 -4.183 -0.364 3.017 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.370 -1.568 3.929 1.00 0.00 C ATOM 412 CD2 LEU D 27 -4.183 -0.803 1.564 1.00 0.00 C ATOM 0 H LEU D 27 -5.886 3.229 4.377 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.688 0.452 5.330 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.232 0.240 3.012 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -5.108 1.508 2.565 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.220 0.092 3.249 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.583 -2.297 3.735 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.320 -1.248 4.970 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.341 -2.023 3.736 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.404 -1.549 1.409 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -5.153 -1.234 1.314 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.993 0.058 0.924 1.00 0.00 H new ATOM 424 N SER D 28 -3.323 0.753 5.873 1.00 0.00 N ATOM 425 CA SER D 28 -2.060 1.027 6.519 1.00 0.00 C ATOM 426 C SER D 28 -1.119 -0.136 6.327 1.00 0.00 C ATOM 427 O SER D 28 -1.554 -1.283 6.322 1.00 0.00 O ATOM 428 CB SER D 28 -2.299 1.238 8.009 1.00 0.00 C ATOM 429 OG SER D 28 -3.189 2.321 8.241 1.00 0.00 O ATOM 0 H SER D 28 -3.667 -0.196 6.019 1.00 0.00 H new ATOM 0 HA SER D 28 -1.617 1.921 6.080 1.00 0.00 H new ATOM 0 HB2 SER D 28 -2.709 0.328 8.446 1.00 0.00 H new ATOM 0 HB3 SER D 28 -1.349 1.432 8.508 1.00 0.00 H new ATOM 0 HG SER D 28 -3.325 2.432 9.205 1.00 0.00 H new ATOM 435 N LEU D 29 0.161 0.139 6.147 1.00 0.00 N ATOM 436 CA LEU D 29 1.103 -0.937 5.939 1.00 0.00 C ATOM 437 C LEU D 29 2.405 -0.660 6.666 1.00 0.00 C ATOM 438 O LEU D 29 2.797 0.493 6.846 1.00 0.00 O ATOM 439 CB LEU D 29 1.369 -1.157 4.451 1.00 0.00 C ATOM 440 CG LEU D 29 0.189 -0.837 3.531 1.00 0.00 C ATOM 441 CD1 LEU D 29 0.215 0.624 3.131 1.00 0.00 C ATOM 442 CD2 LEU D 29 0.180 -1.741 2.310 1.00 0.00 C ATOM 0 H LEU D 29 0.562 1.077 6.141 1.00 0.00 H new ATOM 0 HA LEU D 29 0.661 -1.846 6.346 1.00 0.00 H new ATOM 0 HB2 LEU D 29 2.219 -0.543 4.154 1.00 0.00 H new ATOM 0 HB3 LEU D 29 1.658 -2.197 4.298 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.733 -1.026 4.081 1.00 0.00 H new ATOM 0 HD11 LEU D 29 -0.630 0.837 2.477 1.00 0.00 H new ATOM 0 HD12 LEU D 29 0.149 1.247 4.023 1.00 0.00 H new ATOM 0 HD13 LEU D 29 1.145 0.841 2.605 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -0.670 -1.488 1.677 1.00 0.00 H new ATOM 0 HD22 LEU D 29 1.104 -1.604 1.749 1.00 0.00 H new ATOM 0 HD23 LEU D 29 0.100 -2.781 2.628 1.00 0.00 H new ATOM 454 N SER D 30 3.063 -1.725 7.080 1.00 0.00 N ATOM 455 CA SER D 30 4.320 -1.626 7.790 1.00 0.00 C ATOM 456 C SER D 30 5.109 -2.909 7.589 1.00 0.00 C ATOM 457 O SER D 30 4.595 -3.885 7.040 1.00 0.00 O ATOM 458 CB SER D 30 4.062 -1.375 9.283 1.00 0.00 C ATOM 459 OG SER D 30 5.273 -1.215 10.010 1.00 0.00 O ATOM 0 H SER D 30 2.741 -2.682 6.933 1.00 0.00 H new ATOM 0 HA SER D 30 4.898 -0.789 7.400 1.00 0.00 H new ATOM 0 HB2 SER D 30 3.447 -0.482 9.400 1.00 0.00 H new ATOM 0 HB3 SER D 30 3.496 -2.209 9.699 1.00 0.00 H new ATOM 0 HG SER D 30 5.069 -1.056 10.955 1.00 0.00 H new ATOM 465 N MET D 31 6.328 -2.926 8.083 1.00 0.00 N ATOM 466 CA MET D 31 7.159 -4.111 8.018 1.00 0.00 C ATOM 467 C MET D 31 7.707 -4.431 9.391 1.00 0.00 C ATOM 468 O MET D 31 7.709 -3.586 10.286 1.00 0.00 O ATOM 469 CB MET D 31 8.306 -3.943 7.008 1.00 0.00 C ATOM 470 CG MET D 31 9.222 -2.747 7.262 1.00 0.00 C ATOM 471 SD MET D 31 8.407 -1.158 7.009 1.00 0.00 S ATOM 472 CE MET D 31 9.758 -0.022 7.311 1.00 0.00 C ATOM 0 H MET D 31 6.769 -2.127 8.538 1.00 0.00 H new ATOM 0 HA MET D 31 6.540 -4.940 7.675 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.909 -4.851 7.013 1.00 0.00 H new ATOM 0 HB3 MET D 31 7.879 -3.849 6.009 1.00 0.00 H new ATOM 0 HG2 MET D 31 9.597 -2.796 8.284 1.00 0.00 H new ATOM 0 HG3 MET D 31 10.086 -2.813 6.601 1.00 0.00 H new ATOM 0 HE1 MET D 31 9.406 1.002 7.191 1.00 0.00 H new ATOM 0 HE2 MET D 31 10.130 -0.161 8.326 1.00 0.00 H new ATOM 0 HE3 MET D 31 10.561 -0.215 6.600 1.00 0.00 H new ATOM 482 N ASN D 32 8.224 -5.632 9.531 1.00 0.00 N ATOM 483 CA ASN D 32 8.846 -6.053 10.773 1.00 0.00 C ATOM 484 C ASN D 32 9.983 -6.999 10.444 1.00 0.00 C ATOM 485 O ASN D 32 9.757 -8.182 10.196 1.00 0.00 O ATOM 486 CB ASN D 32 7.828 -6.746 11.684 1.00 0.00 C ATOM 487 CG ASN D 32 8.411 -7.036 13.053 1.00 0.00 C ATOM 488 OD1 ASN D 32 8.846 -6.122 13.757 1.00 0.00 O ATOM 489 ND2 ASN D 32 8.433 -8.299 13.443 1.00 0.00 N ATOM 0 H ASN D 32 8.227 -6.340 8.797 1.00 0.00 H new ATOM 0 HA ASN D 32 9.226 -5.180 11.304 1.00 0.00 H new ATOM 0 HB2 ASN D 32 6.945 -6.115 11.790 1.00 0.00 H new ATOM 0 HB3 ASN D 32 7.501 -7.678 11.222 1.00 0.00 H new ATOM 0 HD21 ASN D 32 8.819 -8.545 14.354 1.00 0.00 H new ATOM 0 HD22 ASN D 32 8.064 -9.028 12.832 1.00 0.00 H new ATOM 496 N GLY D 33 11.155 -6.431 10.219 1.00 0.00 N ATOM 497 CA GLY D 33 12.238 -7.211 9.658 1.00 0.00 C ATOM 498 C GLY D 33 12.002 -7.457 8.184 1.00 0.00 C ATOM 499 O GLY D 33 12.125 -6.542 7.369 1.00 0.00 O ATOM 0 H GLY D 33 11.376 -5.454 10.412 1.00 0.00 H new ATOM 0 HA2 GLY D 33 13.183 -6.687 9.799 1.00 0.00 H new ATOM 0 HA3 GLY D 33 12.320 -8.162 10.184 1.00 0.00 H new ATOM 503 N ASN D 34 11.531 -8.651 7.854 1.00 0.00 N ATOM 504 CA ASN D 34 11.128 -8.962 6.486 1.00 0.00 C ATOM 505 C ASN D 34 9.636 -9.268 6.420 1.00 0.00 C ATOM 506 O ASN D 34 9.173 -9.908 5.482 1.00 0.00 O ATOM 507 CB ASN D 34 11.925 -10.151 5.931 1.00 0.00 C ATOM 508 CG ASN D 34 13.399 -9.849 5.697 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.809 -8.606 5.912 1.00 0.00 O flip ATOM 510 ND2 ASN D 34 14.163 -10.731 5.304 1.00 0.00 N flip ATOM 0 H ASN D 34 11.418 -9.421 8.513 1.00 0.00 H new ATOM 0 HA ASN D 34 11.339 -8.085 5.874 1.00 0.00 H new ATOM 0 HB2 ASN D 34 11.841 -10.988 6.624 1.00 0.00 H new ATOM 0 HB3 ASN D 34 11.476 -10.470 4.991 1.00 0.00 H new ATOM 0 HD21 ASN D 34 13.814 -11.677 5.149 1.00 0.00 H new ATOM 0 HD22 ASN D 34 15.145 -10.516 5.133 1.00 0.00 H new ATOM 517 N GLN D 35 8.885 -8.809 7.416 1.00 0.00 N ATOM 518 CA GLN D 35 7.443 -9.044 7.452 1.00 0.00 C ATOM 519 C GLN D 35 6.674 -7.957 6.734 1.00 0.00 C ATOM 520 O GLN D 35 7.186 -6.869 6.476 1.00 0.00 O ATOM 521 CB GLN D 35 6.923 -9.166 8.879 1.00 0.00 C ATOM 522 CG GLN D 35 7.487 -10.363 9.611 1.00 0.00 C ATOM 523 CD GLN D 35 7.020 -11.689 9.041 1.00 0.00 C ATOM 524 OE1 GLN D 35 7.259 -11.997 7.875 1.00 0.00 O ATOM 525 NE2 GLN D 35 6.348 -12.483 9.861 1.00 0.00 N ATOM 0 H GLN D 35 9.247 -8.275 8.206 1.00 0.00 H new ATOM 0 HA GLN D 35 7.281 -9.990 6.935 1.00 0.00 H new ATOM 0 HB2 GLN D 35 7.172 -8.259 9.430 1.00 0.00 H new ATOM 0 HB3 GLN D 35 5.836 -9.238 8.859 1.00 0.00 H new ATOM 0 HG2 GLN D 35 8.576 -10.323 9.574 1.00 0.00 H new ATOM 0 HG3 GLN D 35 7.201 -10.306 10.661 1.00 0.00 H new ATOM 0 HE21 GLN D 35 6.170 -12.191 10.822 1.00 0.00 H new ATOM 0 HE22 GLN D 35 6.008 -13.387 9.532 1.00 0.00 H new ATOM 534 N LEU D 36 5.435 -8.279 6.429 1.00 0.00 N ATOM 535 CA LEU D 36 4.531 -7.364 5.741 1.00 0.00 C ATOM 536 C LEU D 36 3.209 -7.283 6.487 1.00 0.00 C ATOM 537 O LEU D 36 2.665 -8.302 6.916 1.00 0.00 O ATOM 538 CB LEU D 36 4.379 -7.824 4.284 1.00 0.00 C ATOM 539 CG LEU D 36 3.378 -7.077 3.372 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.936 -7.399 3.733 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.604 -5.572 3.430 1.00 0.00 C ATOM 0 H LEU D 36 5.019 -9.184 6.649 1.00 0.00 H new ATOM 0 HA LEU D 36 4.935 -6.352 5.725 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.361 -7.766 3.815 1.00 0.00 H new ATOM 0 HB3 LEU D 36 4.093 -8.876 4.297 1.00 0.00 H new ATOM 0 HG LEU D 36 3.557 -7.422 2.354 1.00 0.00 H new ATOM 0 HD11 LEU D 36 1.264 -6.854 3.069 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.764 -8.470 3.624 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.745 -7.104 4.765 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.887 -5.071 2.780 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.471 -5.223 4.454 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.617 -5.343 3.098 1.00 0.00 H new ATOM 553 N LYS D 37 2.830 -6.061 6.833 1.00 0.00 N ATOM 554 CA LYS D 37 1.731 -5.836 7.757 1.00 0.00 C ATOM 555 C LYS D 37 0.745 -4.816 7.183 1.00 0.00 C ATOM 556 O LYS D 37 1.096 -3.650 7.034 1.00 0.00 O ATOM 557 CB LYS D 37 2.314 -5.272 9.058 1.00 0.00 C ATOM 558 CG LYS D 37 3.570 -5.997 9.554 1.00 0.00 C ATOM 559 CD LYS D 37 3.325 -7.440 9.984 1.00 0.00 C ATOM 560 CE LYS D 37 2.289 -7.558 11.096 1.00 0.00 C ATOM 561 NZ LYS D 37 2.123 -8.965 11.548 1.00 0.00 N1+ ATOM 0 H LYS D 37 3.270 -5.209 6.486 1.00 0.00 H new ATOM 0 HA LYS D 37 1.206 -6.775 7.930 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.552 -4.219 8.909 1.00 0.00 H new ATOM 0 HB3 LYS D 37 1.551 -5.320 9.835 1.00 0.00 H new ATOM 0 HG2 LYS D 37 4.319 -5.987 8.762 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.988 -5.444 10.395 1.00 0.00 H new ATOM 0 HD2 LYS D 37 2.994 -8.020 9.122 1.00 0.00 H new ATOM 0 HD3 LYS D 37 4.264 -7.878 10.321 1.00 0.00 H new ATOM 0 HE2 LYS D 37 2.590 -6.938 11.940 1.00 0.00 H new ATOM 0 HE3 LYS D 37 1.332 -7.174 10.743 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 1.411 -9.005 12.305 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 1.812 -9.552 10.748 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 3.031 -9.323 11.908 1.00 0.00 H new ATOM 575 N ALA D 38 -0.492 -5.220 6.917 1.00 0.00 N ATOM 576 CA ALA D 38 -1.495 -4.281 6.434 1.00 0.00 C ATOM 577 C ALA D 38 -2.680 -4.206 7.377 1.00 0.00 C ATOM 578 O ALA D 38 -3.084 -5.199 7.980 1.00 0.00 O ATOM 579 CB ALA D 38 -1.956 -4.657 5.038 1.00 0.00 C ATOM 0 H ALA D 38 -0.821 -6.179 7.026 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.031 -3.295 6.395 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.705 -3.942 4.697 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.105 -4.643 4.357 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.390 -5.657 5.055 1.00 0.00 H new ATOM 585 N THR D 39 -3.216 -3.006 7.502 1.00 0.00 N ATOM 586 CA THR D 39 -4.343 -2.735 8.369 1.00 0.00 C ATOM 587 C THR D 39 -5.342 -1.795 7.695 1.00 0.00 C ATOM 588 O THR D 39 -4.985 -0.736 7.200 1.00 0.00 O ATOM 589 CB THR D 39 -3.843 -2.152 9.693 1.00 0.00 C ATOM 590 OG1 THR D 39 -2.810 -1.217 9.464 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.324 -3.188 10.666 1.00 0.00 C ATOM 0 H THR D 39 -2.877 -2.186 6.999 1.00 0.00 H new ATOM 0 HA THR D 39 -4.865 -3.670 8.571 1.00 0.00 H new ATOM 0 HB THR D 39 -4.717 -1.680 10.142 1.00 0.00 H new ATOM 0 HG1 THR D 39 -2.503 -0.853 10.320 1.00 0.00 H new ATOM 0 HG21 THR D 39 -2.989 -2.695 11.578 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.120 -3.893 10.906 1.00 0.00 H new ATOM 0 HG23 THR D 39 -2.489 -3.724 10.216 1.00 0.00 H new ATOM 599 N SER D 40 -6.598 -2.182 7.715 1.00 0.00 N ATOM 600 CA SER D 40 -7.675 -1.379 7.150 1.00 0.00 C ATOM 601 C SER D 40 -8.676 -1.062 8.229 1.00 0.00 C ATOM 602 O SER D 40 -9.118 -1.955 8.956 1.00 0.00 O ATOM 603 CB SER D 40 -8.350 -2.142 6.039 1.00 0.00 C ATOM 604 OG SER D 40 -8.717 -3.438 6.473 1.00 0.00 O ATOM 0 H SER D 40 -6.909 -3.064 8.123 1.00 0.00 H new ATOM 0 HA SER D 40 -7.266 -0.452 6.748 1.00 0.00 H new ATOM 0 HB2 SER D 40 -9.235 -1.601 5.705 1.00 0.00 H new ATOM 0 HB3 SER D 40 -7.680 -2.216 5.183 1.00 0.00 H new ATOM 0 HG SER D 40 -9.046 -3.393 7.395 1.00 0.00 H new ATOM 610 N SER D 41 -9.020 0.195 8.358 1.00 0.00 N ATOM 611 CA SER D 41 -9.957 0.581 9.400 1.00 0.00 C ATOM 612 C SER D 41 -11.354 0.783 8.835 1.00 0.00 C ATOM 613 O SER D 41 -11.527 0.905 7.613 1.00 0.00 O ATOM 614 CB SER D 41 -9.489 1.833 10.134 1.00 0.00 C ATOM 615 OG SER D 41 -8.220 1.637 10.735 1.00 0.00 O ATOM 0 H SER D 41 -8.679 0.958 7.773 1.00 0.00 H new ATOM 0 HA SER D 41 -9.996 -0.236 10.121 1.00 0.00 H new ATOM 0 HB2 SER D 41 -9.437 2.668 9.435 1.00 0.00 H new ATOM 0 HB3 SER D 41 -10.218 2.102 10.899 1.00 0.00 H new ATOM 0 HG SER D 41 -7.946 2.457 11.196 1.00 0.00 H new ATOM 621 N ASN D 42 -12.339 0.712 9.738 1.00 0.00 N ATOM 622 CA ASN D 42 -13.764 0.768 9.398 1.00 0.00 C ATOM 623 C ASN D 42 -14.233 -0.562 8.822 1.00 0.00 C ATOM 624 O ASN D 42 -15.400 -0.713 8.464 1.00 0.00 O ATOM 625 CB ASN D 42 -14.080 1.929 8.454 1.00 0.00 C ATOM 626 CG ASN D 42 -13.833 3.267 9.121 1.00 0.00 C ATOM 627 OD1 ASN D 42 -14.471 3.598 10.120 1.00 0.00 O ATOM 628 ND2 ASN D 42 -12.906 4.043 8.584 1.00 0.00 N ATOM 0 H ASN D 42 -12.166 0.613 10.738 1.00 0.00 H new ATOM 0 HA ASN D 42 -14.316 0.952 10.320 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -13.465 1.849 7.558 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -15.120 1.867 8.134 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -12.699 4.952 8.999 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -12.399 3.733 7.755 1.00 0.00 H new ATOM 635 N ALA D 43 -13.345 -1.555 8.908 1.00 0.00 N ATOM 636 CA ALA D 43 -13.650 -2.951 8.582 1.00 0.00 C ATOM 637 C ALA D 43 -14.522 -3.121 7.336 1.00 0.00 C ATOM 638 O ALA D 43 -15.543 -3.811 7.387 1.00 0.00 O ATOM 639 CB ALA D 43 -14.309 -3.626 9.775 1.00 0.00 C ATOM 0 H ALA D 43 -12.381 -1.411 9.210 1.00 0.00 H new ATOM 0 HA ALA D 43 -12.697 -3.427 8.351 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -14.534 -4.663 9.528 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -13.633 -3.595 10.630 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -15.233 -3.104 10.024 1.00 0.00 H new ATOM 645 N GLY D 44 -14.055 -2.634 6.191 1.00 0.00 N ATOM 646 CA GLY D 44 -14.756 -2.920 4.959 1.00 0.00 C ATOM 647 C GLY D 44 -15.369 -1.708 4.301 1.00 0.00 C ATOM 648 O GLY D 44 -16.369 -1.825 3.598 1.00 0.00 O ATOM 0 H GLY D 44 -13.219 -2.057 6.096 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -14.063 -3.388 4.260 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -15.543 -3.646 5.162 1.00 0.00 H new ATOM 652 N TYR D 45 -14.702 -0.574 4.401 1.00 0.00 N ATOM 653 CA TYR D 45 -15.127 0.604 3.665 1.00 0.00 C ATOM 654 C TYR D 45 -14.092 0.960 2.610 1.00 0.00 C ATOM 655 O TYR D 45 -12.895 0.740 2.801 1.00 0.00 O ATOM 656 CB TYR D 45 -15.378 1.804 4.588 1.00 0.00 C ATOM 657 CG TYR D 45 -16.614 1.694 5.476 1.00 0.00 C ATOM 658 CD1 TYR D 45 -17.045 0.468 5.972 1.00 0.00 C ATOM 659 CD2 TYR D 45 -17.350 2.827 5.827 1.00 0.00 C ATOM 660 CE1 TYR D 45 -18.162 0.372 6.778 1.00 0.00 C ATOM 661 CE2 TYR D 45 -18.466 2.734 6.633 1.00 0.00 C ATOM 662 CZ TYR D 45 -18.867 1.506 7.103 1.00 0.00 C ATOM 663 OH TYR D 45 -19.978 1.415 7.908 1.00 0.00 O ATOM 0 H TYR D 45 -13.872 -0.442 4.978 1.00 0.00 H new ATOM 0 HA TYR D 45 -16.074 0.364 3.181 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -14.504 1.941 5.225 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.470 2.701 3.975 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -16.495 -0.427 5.722 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -17.040 3.795 5.461 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -18.480 -0.590 7.151 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -19.022 3.622 6.894 1.00 0.00 H new ATOM 0 HH TYR D 45 -20.359 2.308 8.042 1.00 0.00 H new ATOM 673 N GLY D 46 -14.569 1.469 1.487 1.00 0.00 N ATOM 674 CA GLY D 46 -13.702 1.818 0.375 1.00 0.00 C ATOM 675 C GLY D 46 -13.243 3.249 0.433 1.00 0.00 C ATOM 676 O GLY D 46 -13.074 3.810 1.512 1.00 0.00 O ATOM 0 H GLY D 46 -15.559 1.651 1.321 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.833 1.160 0.375 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -14.231 1.647 -0.562 1.00 0.00 H new ATOM 680 N ILE D 47 -12.995 3.828 -0.731 1.00 0.00 N ATOM 681 CA ILE D 47 -12.517 5.194 -0.827 1.00 0.00 C ATOM 682 C ILE D 47 -13.453 6.097 -0.063 1.00 0.00 C ATOM 683 O ILE D 47 -13.049 6.883 0.793 1.00 0.00 O ATOM 684 CB ILE D 47 -12.581 5.750 -2.259 1.00 0.00 C ATOM 685 CG1 ILE D 47 -12.332 4.722 -3.342 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.643 6.923 -2.414 1.00 0.00 C ATOM 687 CD1 ILE D 47 -13.532 3.843 -3.606 1.00 0.00 C ATOM 0 H ILE D 47 -13.119 3.365 -1.631 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.492 5.175 -0.456 1.00 0.00 H new ATOM 0 HB ILE D 47 -13.611 6.078 -2.400 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -12.053 5.233 -4.263 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -11.486 4.097 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -11.702 7.303 -3.434 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -11.927 7.711 -1.716 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -10.622 6.603 -2.204 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -13.292 3.127 -4.392 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -13.798 3.307 -2.695 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -14.373 4.460 -3.922 1.00 0.00 H new ATOM 699 N SER D 48 -14.688 6.021 -0.539 1.00 0.00 N ATOM 700 CA SER D 48 -15.805 6.859 -0.146 1.00 0.00 C ATOM 701 C SER D 48 -16.851 6.680 -1.243 1.00 0.00 C ATOM 702 O SER D 48 -17.258 5.550 -1.515 1.00 0.00 O ATOM 703 CB SER D 48 -15.372 8.329 -0.010 1.00 0.00 C ATOM 704 OG SER D 48 -16.450 9.158 0.404 1.00 0.00 O ATOM 0 H SER D 48 -14.948 5.335 -1.248 1.00 0.00 H new ATOM 0 HA SER D 48 -16.201 6.577 0.829 1.00 0.00 H new ATOM 0 HB2 SER D 48 -14.558 8.403 0.711 1.00 0.00 H new ATOM 0 HB3 SER D 48 -14.985 8.684 -0.965 1.00 0.00 H new ATOM 0 HG SER D 48 -16.139 10.084 0.482 1.00 0.00 H new ATOM 710 N TYR D 49 -17.021 7.699 -2.068 1.00 0.00 N ATOM 711 CA TYR D 49 -17.704 7.530 -3.341 1.00 0.00 C ATOM 712 C TYR D 49 -16.798 8.001 -4.468 1.00 0.00 C ATOM 713 O TYR D 49 -16.968 9.098 -4.998 1.00 0.00 O ATOM 714 CB TYR D 49 -19.028 8.291 -3.366 1.00 0.00 C ATOM 715 CG TYR D 49 -20.234 7.474 -2.909 1.00 0.00 C ATOM 716 CD1 TYR D 49 -21.526 7.718 -3.396 1.00 0.00 C ATOM 717 CD2 TYR D 49 -20.077 6.429 -2.005 1.00 0.00 C ATOM 718 CE1 TYR D 49 -22.598 6.950 -2.986 1.00 0.00 C ATOM 719 CE2 TYR D 49 -21.150 5.665 -1.593 1.00 0.00 C ATOM 720 CZ TYR D 49 -22.405 5.928 -2.088 1.00 0.00 C ATOM 721 OH TYR D 49 -23.470 5.161 -1.691 1.00 0.00 O ATOM 0 H TYR D 49 -16.698 8.648 -1.881 1.00 0.00 H new ATOM 0 HA TYR D 49 -17.931 6.472 -3.476 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -18.939 9.172 -2.730 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -19.209 8.647 -4.380 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -21.685 8.519 -4.103 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -19.093 6.210 -1.617 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -23.587 7.152 -3.371 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -21.004 4.863 -0.884 1.00 0.00 H new ATOM 0 HH TYR D 49 -23.164 4.481 -1.055 1.00 0.00 H new ATOM 731 N GLU D 50 -15.820 7.165 -4.803 1.00 0.00 N ATOM 732 CA GLU D 50 -14.836 7.470 -5.839 1.00 0.00 C ATOM 733 C GLU D 50 -14.373 6.206 -6.544 1.00 0.00 C ATOM 734 O GLU D 50 -14.858 5.112 -6.257 1.00 0.00 O ATOM 735 CB GLU D 50 -13.604 8.135 -5.234 1.00 0.00 C ATOM 736 CG GLU D 50 -13.798 9.571 -4.814 1.00 0.00 C ATOM 737 CD GLU D 50 -14.096 10.483 -5.980 1.00 0.00 C ATOM 738 OE1 GLU D 50 -13.246 10.584 -6.881 1.00 0.00 O ATOM 739 OE2 GLU D 50 -15.169 11.108 -5.989 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.686 6.254 -4.363 1.00 0.00 H new ATOM 0 HA GLU D 50 -15.322 8.139 -6.549 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -13.287 7.558 -4.366 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -12.792 8.091 -5.960 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -14.615 9.628 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -12.900 9.921 -4.304 1.00 0.00 H new ATOM 746 N ASP D 51 -13.282 6.335 -7.295 1.00 0.00 N ATOM 747 CA ASP D 51 -12.598 5.170 -7.828 1.00 0.00 C ATOM 748 C ASP D 51 -11.098 5.414 -7.951 1.00 0.00 C ATOM 749 O ASP D 51 -10.664 6.519 -8.271 1.00 0.00 O ATOM 750 CB ASP D 51 -13.217 4.732 -9.157 1.00 0.00 C ATOM 751 CG ASP D 51 -13.065 5.740 -10.279 1.00 0.00 C ATOM 752 OD1 ASP D 51 -11.925 6.023 -10.688 1.00 0.00 O ATOM 753 OD2 ASP D 51 -14.101 6.244 -10.759 1.00 0.00 O1- ATOM 0 H ASP D 51 -12.859 7.229 -7.544 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.729 4.350 -7.122 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -12.760 3.792 -9.465 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -14.278 4.535 -9.003 1.00 0.00 H new ATOM 758 N LYS D 52 -10.313 4.398 -7.589 1.00 0.00 N ATOM 759 CA LYS D 52 -8.860 4.491 -7.538 1.00 0.00 C ATOM 760 C LYS D 52 -8.244 3.194 -7.979 1.00 0.00 C ATOM 761 O LYS D 52 -8.715 2.137 -7.593 1.00 0.00 O ATOM 762 CB LYS D 52 -8.352 4.795 -6.130 1.00 0.00 C ATOM 763 CG LYS D 52 -8.535 6.228 -5.688 1.00 0.00 C ATOM 764 CD LYS D 52 -9.970 6.556 -5.335 1.00 0.00 C ATOM 765 CE LYS D 52 -10.144 8.060 -5.193 1.00 0.00 C ATOM 766 NZ LYS D 52 -9.205 8.636 -4.193 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.674 3.482 -7.322 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.575 5.307 -8.202 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -8.867 4.143 -5.424 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -7.292 4.546 -6.079 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -7.900 6.420 -4.823 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -8.200 6.894 -6.483 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.638 6.176 -6.108 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -10.246 6.061 -4.404 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -9.982 8.537 -6.160 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -11.170 8.280 -4.897 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -9.486 9.613 -3.976 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -9.232 8.066 -3.323 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -8.240 8.631 -4.580 1.00 0.00 H new ATOM 780 N ASN D 53 -7.120 3.275 -8.663 1.00 0.00 N ATOM 781 CA ASN D 53 -6.359 2.084 -9.001 1.00 0.00 C ATOM 782 C ASN D 53 -4.972 2.168 -8.407 1.00 0.00 C ATOM 783 O ASN D 53 -4.323 3.213 -8.467 1.00 0.00 O ATOM 784 CB ASN D 53 -6.286 1.866 -10.512 1.00 0.00 C ATOM 785 CG ASN D 53 -7.606 1.414 -11.114 1.00 0.00 C ATOM 786 OD1 ASN D 53 -8.660 1.325 -10.305 1.00 0.00 O flip ATOM 787 ND2 ASN D 53 -7.685 1.163 -12.315 1.00 0.00 N flip ATOM 0 H ASN D 53 -6.713 4.149 -8.996 1.00 0.00 H new ATOM 0 HA ASN D 53 -6.877 1.225 -8.575 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -5.973 2.793 -10.992 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.521 1.121 -10.729 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -6.859 1.241 -12.908 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.577 0.877 -12.719 1.00 0.00 H new ATOM 794 N TRP D 54 -4.581 1.115 -7.716 1.00 0.00 N ATOM 795 CA TRP D 54 -3.337 1.119 -6.970 1.00 0.00 C ATOM 796 C TRP D 54 -2.380 0.032 -7.411 1.00 0.00 C ATOM 797 O TRP D 54 -2.791 -0.999 -7.942 1.00 0.00 O ATOM 798 CB TRP D 54 -3.607 0.945 -5.484 1.00 0.00 C ATOM 799 CG TRP D 54 -3.432 2.199 -4.718 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.180 3.340 -4.748 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.359 2.440 -3.841 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.614 4.280 -3.917 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.488 3.739 -3.353 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.297 1.664 -3.419 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.568 4.270 -2.465 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.406 2.197 -2.537 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.541 3.490 -2.072 1.00 0.00 C ATOM 0 H TRP D 54 -5.108 0.244 -7.655 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.871 2.084 -7.169 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.624 0.579 -5.345 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -2.937 0.184 -5.084 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -5.077 3.483 -5.333 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -3.972 5.220 -3.749 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.175 0.654 -3.781 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.670 5.280 -2.098 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.423 1.596 -2.194 1.00 0.00 H new ATOM 0 HH2 TRP D 54 0.189 3.884 -1.381 1.00 0.00 H new ATOM 818 N GLY D 55 -1.116 0.208 -7.045 1.00 0.00 N ATOM 819 CA GLY D 55 -0.144 -0.831 -7.268 1.00 0.00 C ATOM 820 C GLY D 55 1.001 -0.809 -6.273 1.00 0.00 C ATOM 821 O GLY D 55 1.427 0.241 -5.788 1.00 0.00 O ATOM 0 H GLY D 55 -0.753 1.051 -6.600 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.641 -1.800 -7.217 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.259 -0.731 -8.276 1.00 0.00 H new ATOM 825 N ILE D 56 1.549 -1.983 -6.088 1.00 0.00 N ATOM 826 CA ILE D 56 2.745 -2.236 -5.285 1.00 0.00 C ATOM 827 C ILE D 56 3.798 -2.780 -6.228 1.00 0.00 C ATOM 828 O ILE D 56 3.530 -3.733 -6.958 1.00 0.00 O ATOM 829 CB ILE D 56 2.440 -3.294 -4.204 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.318 -2.819 -3.285 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.683 -3.607 -3.387 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.814 -3.903 -2.360 1.00 0.00 C ATOM 0 H ILE D 56 1.167 -2.832 -6.505 1.00 0.00 H new ATOM 0 HA ILE D 56 3.080 -1.323 -4.792 1.00 0.00 H new ATOM 0 HB ILE D 56 2.118 -4.204 -4.709 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.674 -1.978 -2.690 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.490 -2.452 -3.891 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.443 -4.355 -2.632 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.463 -3.992 -4.044 1.00 0.00 H new ATOM 0 HG23 ILE D 56 4.036 -2.699 -2.899 1.00 0.00 H new ATOM 0 HD11 ILE D 56 0.017 -3.504 -1.732 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.429 -4.735 -2.950 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.632 -4.253 -1.730 1.00 0.00 H new ATOM 844 N PHE D 57 4.890 -2.062 -6.387 1.00 0.00 N ATOM 845 CA PHE D 57 5.815 -2.398 -7.449 1.00 0.00 C ATOM 846 C PHE D 57 7.079 -3.026 -6.902 1.00 0.00 C ATOM 847 O PHE D 57 8.028 -2.330 -6.552 1.00 0.00 O ATOM 848 CB PHE D 57 6.151 -1.169 -8.305 1.00 0.00 C ATOM 849 CG PHE D 57 4.934 -0.518 -8.904 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.689 -0.608 -10.258 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.027 0.171 -8.111 1.00 0.00 C ATOM 852 CE1 PHE D 57 3.559 -0.039 -10.803 1.00 0.00 C ATOM 853 CE2 PHE D 57 2.908 0.741 -8.651 1.00 0.00 C ATOM 854 CZ PHE D 57 2.667 0.632 -9.995 1.00 0.00 C ATOM 0 H PHE D 57 5.155 -1.263 -5.812 1.00 0.00 H new ATOM 0 HA PHE D 57 5.322 -3.132 -8.087 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.681 -0.440 -7.692 1.00 0.00 H new ATOM 0 HB3 PHE D 57 6.829 -1.465 -9.106 1.00 0.00 H new ATOM 0 HD1 PHE D 57 5.388 -1.128 -10.896 1.00 0.00 H new ATOM 0 HD2 PHE D 57 4.208 0.258 -7.050 1.00 0.00 H new ATOM 0 HE1 PHE D 57 3.372 -0.119 -11.864 1.00 0.00 H new ATOM 0 HE2 PHE D 57 2.215 1.276 -8.019 1.00 0.00 H new ATOM 0 HZ PHE D 57 1.778 1.072 -10.421 1.00 0.00 H new ATOM 864 N VAL D 58 7.117 -4.346 -6.965 1.00 0.00 N ATOM 865 CA VAL D 58 8.302 -5.113 -6.623 1.00 0.00 C ATOM 866 C VAL D 58 9.140 -5.348 -7.870 1.00 0.00 C ATOM 867 O VAL D 58 8.675 -5.970 -8.823 1.00 0.00 O ATOM 868 CB VAL D 58 7.926 -6.467 -5.976 1.00 0.00 C ATOM 869 CG1 VAL D 58 9.139 -7.362 -5.819 1.00 0.00 C ATOM 870 CG2 VAL D 58 7.285 -6.238 -4.621 1.00 0.00 C ATOM 0 H VAL D 58 6.324 -4.918 -7.256 1.00 0.00 H new ATOM 0 HA VAL D 58 8.880 -4.542 -5.897 1.00 0.00 H new ATOM 0 HB VAL D 58 7.217 -6.965 -6.637 1.00 0.00 H new ATOM 0 HG11 VAL D 58 8.839 -8.305 -5.361 1.00 0.00 H new ATOM 0 HG12 VAL D 58 9.576 -7.557 -6.798 1.00 0.00 H new ATOM 0 HG13 VAL D 58 9.875 -6.869 -5.184 1.00 0.00 H new ATOM 0 HG21 VAL D 58 7.024 -7.198 -4.175 1.00 0.00 H new ATOM 0 HG22 VAL D 58 7.986 -5.714 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL D 58 6.383 -5.637 -4.742 1.00 0.00 H new ATOM 880 N ASN D 59 10.340 -4.775 -7.885 1.00 0.00 N ATOM 881 CA ASN D 59 11.228 -4.838 -9.049 1.00 0.00 C ATOM 882 C ASN D 59 10.616 -4.124 -10.249 1.00 0.00 C ATOM 883 O ASN D 59 10.852 -4.507 -11.396 1.00 0.00 O ATOM 884 CB ASN D 59 11.564 -6.285 -9.432 1.00 0.00 C ATOM 885 CG ASN D 59 12.295 -7.029 -8.334 1.00 0.00 C ATOM 886 OD1 ASN D 59 13.370 -6.616 -7.897 1.00 0.00 O ATOM 887 ND2 ASN D 59 11.720 -8.134 -7.887 1.00 0.00 N ATOM 0 H ASN D 59 10.726 -4.256 -7.096 1.00 0.00 H new ATOM 0 HA ASN D 59 12.151 -4.332 -8.765 1.00 0.00 H new ATOM 0 HB2 ASN D 59 10.643 -6.815 -9.673 1.00 0.00 H new ATOM 0 HB3 ASN D 59 12.176 -6.284 -10.334 1.00 0.00 H new ATOM 0 HD21 ASN D 59 12.168 -8.680 -7.151 1.00 0.00 H new ATOM 0 HD22 ASN D 59 10.829 -8.439 -8.278 1.00 0.00 H new ATOM 894 N GLY D 60 9.885 -3.046 -9.990 1.00 0.00 N ATOM 895 CA GLY D 60 9.332 -2.255 -11.073 1.00 0.00 C ATOM 896 C GLY D 60 7.951 -2.691 -11.500 1.00 0.00 C ATOM 897 O GLY D 60 7.169 -1.886 -12.009 1.00 0.00 O ATOM 0 H GLY D 60 9.666 -2.707 -9.053 1.00 0.00 H new ATOM 0 HA2 GLY D 60 9.294 -1.210 -10.765 1.00 0.00 H new ATOM 0 HA3 GLY D 60 10.002 -2.311 -11.931 1.00 0.00 H new ATOM 901 N GLU D 61 7.693 -3.976 -11.392 1.00 0.00 N ATOM 902 CA GLU D 61 6.441 -4.547 -11.876 1.00 0.00 C ATOM 903 C GLU D 61 5.381 -4.532 -10.782 1.00 0.00 C ATOM 904 O GLU D 61 5.702 -4.494 -9.593 1.00 0.00 O ATOM 905 CB GLU D 61 6.667 -5.975 -12.388 1.00 0.00 C ATOM 906 CG GLU D 61 7.134 -6.952 -11.319 1.00 0.00 C ATOM 907 CD GLU D 61 7.491 -8.302 -11.889 1.00 0.00 C ATOM 908 OE1 GLU D 61 6.600 -8.973 -12.445 1.00 0.00 O ATOM 909 OE2 GLU D 61 8.673 -8.688 -11.795 1.00 0.00 O1- ATOM 0 H GLU D 61 8.331 -4.652 -10.973 1.00 0.00 H new ATOM 0 HA GLU D 61 6.083 -3.935 -12.704 1.00 0.00 H new ATOM 0 HB2 GLU D 61 5.738 -6.345 -12.822 1.00 0.00 H new ATOM 0 HB3 GLU D 61 7.406 -5.950 -13.189 1.00 0.00 H new ATOM 0 HG2 GLU D 61 8.001 -6.537 -10.805 1.00 0.00 H new ATOM 0 HG3 GLU D 61 6.349 -7.072 -10.573 1.00 0.00 H new ATOM 916 N LYS D 62 4.118 -4.531 -11.184 1.00 0.00 N ATOM 917 CA LYS D 62 3.023 -4.485 -10.225 1.00 0.00 C ATOM 918 C LYS D 62 2.771 -5.867 -9.658 1.00 0.00 C ATOM 919 O LYS D 62 2.204 -6.732 -10.326 1.00 0.00 O ATOM 920 CB LYS D 62 1.750 -3.958 -10.883 1.00 0.00 C ATOM 921 CG LYS D 62 1.940 -2.608 -11.523 1.00 0.00 C ATOM 922 CD LYS D 62 0.630 -2.051 -12.053 1.00 0.00 C ATOM 923 CE LYS D 62 0.835 -0.738 -12.788 1.00 0.00 C ATOM 924 NZ LYS D 62 1.759 -0.885 -13.948 1.00 0.00 N1+ ATOM 0 H LYS D 62 3.827 -4.561 -12.161 1.00 0.00 H new ATOM 0 HA LYS D 62 3.303 -3.809 -9.417 1.00 0.00 H new ATOM 0 HB2 LYS D 62 1.416 -4.669 -11.638 1.00 0.00 H new ATOM 0 HB3 LYS D 62 0.960 -3.892 -10.135 1.00 0.00 H new ATOM 0 HG2 LYS D 62 2.362 -1.916 -10.795 1.00 0.00 H new ATOM 0 HG3 LYS D 62 2.658 -2.689 -12.339 1.00 0.00 H new ATOM 0 HD2 LYS D 62 0.171 -2.776 -12.725 1.00 0.00 H new ATOM 0 HD3 LYS D 62 -0.063 -1.900 -11.225 1.00 0.00 H new ATOM 0 HE2 LYS D 62 -0.128 -0.364 -13.137 1.00 0.00 H new ATOM 0 HE3 LYS D 62 1.235 0.005 -12.098 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 1.665 -0.060 -14.574 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 2.739 -0.950 -13.605 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 1.519 -1.748 -14.476 1.00 0.00 H new ATOM 938 N VAL D 63 3.231 -6.082 -8.442 1.00 0.00 N ATOM 939 CA VAL D 63 3.098 -7.379 -7.804 1.00 0.00 C ATOM 940 C VAL D 63 1.683 -7.576 -7.255 1.00 0.00 C ATOM 941 O VAL D 63 1.157 -8.691 -7.245 1.00 0.00 O ATOM 942 CB VAL D 63 4.148 -7.565 -6.699 1.00 0.00 C ATOM 943 CG1 VAL D 63 3.948 -6.582 -5.557 1.00 0.00 C ATOM 944 CG2 VAL D 63 4.168 -8.997 -6.195 1.00 0.00 C ATOM 0 H VAL D 63 3.700 -5.376 -7.875 1.00 0.00 H new ATOM 0 HA VAL D 63 3.275 -8.142 -8.562 1.00 0.00 H new ATOM 0 HB VAL D 63 5.122 -7.352 -7.140 1.00 0.00 H new ATOM 0 HG11 VAL D 63 4.711 -6.747 -4.797 1.00 0.00 H new ATOM 0 HG12 VAL D 63 4.028 -5.563 -5.936 1.00 0.00 H new ATOM 0 HG13 VAL D 63 2.961 -6.730 -5.118 1.00 0.00 H new ATOM 0 HG21 VAL D 63 4.921 -9.097 -5.414 1.00 0.00 H new ATOM 0 HG22 VAL D 63 3.189 -9.254 -5.790 1.00 0.00 H new ATOM 0 HG23 VAL D 63 4.408 -9.669 -7.019 1.00 0.00 H new ATOM 954 N TYR D 64 1.041 -6.471 -6.882 1.00 0.00 N ATOM 955 CA TYR D 64 -0.343 -6.506 -6.431 1.00 0.00 C ATOM 956 C TYR D 64 -1.074 -5.230 -6.836 1.00 0.00 C ATOM 957 O TYR D 64 -0.670 -4.128 -6.458 1.00 0.00 O ATOM 958 CB TYR D 64 -0.420 -6.688 -4.912 1.00 0.00 C ATOM 959 CG TYR D 64 -1.842 -6.753 -4.386 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.809 -7.507 -5.041 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.222 -6.054 -3.248 1.00 0.00 C ATOM 962 CE1 TYR D 64 -4.108 -7.559 -4.579 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.516 -6.106 -2.779 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.455 -6.857 -3.448 1.00 0.00 C ATOM 965 OH TYR D 64 -5.749 -6.900 -2.989 1.00 0.00 O ATOM 0 H TYR D 64 1.460 -5.541 -6.884 1.00 0.00 H new ATOM 0 HA TYR D 64 -0.826 -7.358 -6.909 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.104 -7.603 -4.636 1.00 0.00 H new ATOM 0 HB3 TYR D 64 0.102 -5.863 -4.427 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -2.539 -8.062 -5.927 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -1.490 -5.459 -2.721 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -4.848 -8.147 -5.102 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -3.793 -5.559 -1.890 1.00 0.00 H new ATOM 0 HH TYR D 64 -6.152 -7.762 -3.225 1.00 0.00 H new ATOM 975 N THR D 65 -2.207 -5.394 -7.509 1.00 0.00 N ATOM 976 CA THR D 65 -3.061 -4.267 -7.846 1.00 0.00 C ATOM 977 C THR D 65 -4.346 -4.307 -7.029 1.00 0.00 C ATOM 978 O THR D 65 -5.242 -5.110 -7.302 1.00 0.00 O ATOM 979 CB THR D 65 -3.387 -4.241 -9.325 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.211 -4.095 -10.108 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.352 -3.136 -9.724 1.00 0.00 C ATOM 0 H THR D 65 -2.554 -6.298 -7.831 1.00 0.00 H new ATOM 0 HA THR D 65 -2.514 -3.356 -7.604 1.00 0.00 H new ATOM 0 HB THR D 65 -3.869 -5.200 -9.517 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.450 -4.083 -11.058 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.536 -3.183 -10.797 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.293 -3.264 -9.189 1.00 0.00 H new ATOM 0 HG23 THR D 65 -3.920 -2.167 -9.472 1.00 0.00 H new ATOM 989 N PHE D 66 -4.492 -3.354 -6.126 1.00 0.00 N ATOM 990 CA PHE D 66 -5.738 -3.188 -5.398 1.00 0.00 C ATOM 991 C PHE D 66 -6.321 -1.845 -5.755 1.00 0.00 C ATOM 992 O PHE D 66 -5.625 -0.980 -6.265 1.00 0.00 O ATOM 993 CB PHE D 66 -5.531 -3.324 -3.886 1.00 0.00 C ATOM 994 CG PHE D 66 -4.691 -2.250 -3.232 1.00 0.00 C ATOM 995 CD1 PHE D 66 -3.385 -2.510 -2.838 1.00 0.00 C ATOM 996 CD2 PHE D 66 -5.225 -1.000 -2.961 1.00 0.00 C ATOM 997 CE1 PHE D 66 -2.629 -1.538 -2.202 1.00 0.00 C ATOM 998 CE2 PHE D 66 -4.475 -0.029 -2.330 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.177 -0.294 -1.947 1.00 0.00 C ATOM 0 H PHE D 66 -3.764 -2.684 -5.879 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.433 -3.977 -5.683 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.509 -3.335 -3.405 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.067 -4.291 -3.688 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -2.953 -3.481 -3.029 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -6.243 -0.783 -3.248 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -1.613 -1.752 -1.906 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -4.906 0.942 -2.135 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.592 0.466 -1.451 1.00 0.00 H new ATOM 1009 N ASN D 67 -7.591 -1.677 -5.519 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.249 -0.431 -5.836 1.00 0.00 C ATOM 1011 C ASN D 67 -9.086 0.008 -4.652 1.00 0.00 C ATOM 1012 O ASN D 67 -9.651 -0.838 -3.978 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.077 -0.597 -7.120 1.00 0.00 C ATOM 1014 CG ASN D 67 -9.985 -1.807 -7.103 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -10.910 -1.891 -6.317 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -9.711 -2.762 -7.975 1.00 0.00 N ATOM 0 H ASN D 67 -8.197 -2.386 -5.107 1.00 0.00 H new ATOM 0 HA ASN D 67 -7.517 0.353 -6.027 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -9.681 0.298 -7.271 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -8.401 -0.673 -7.971 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -10.284 -3.605 -8.004 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -8.927 -2.655 -8.618 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.128 1.315 -4.352 1.00 0.00 N ATOM 1024 CA GLU D 68 -9.875 1.782 -3.185 1.00 0.00 C ATOM 1025 C GLU D 68 -11.351 1.490 -3.381 1.00 0.00 C ATOM 1026 O GLU D 68 -12.119 1.429 -2.420 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.677 3.273 -2.924 1.00 0.00 C ATOM 1028 CG GLU D 68 -8.230 3.716 -2.979 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.379 3.018 -1.947 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -7.682 3.155 -0.744 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -6.417 2.339 -2.339 1.00 0.00 O1- ATOM 0 H GLU D 68 -8.664 2.048 -4.889 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.493 1.247 -2.315 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -10.249 3.840 -3.658 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -10.085 3.518 -1.944 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.829 3.517 -3.973 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -8.176 4.793 -2.823 1.00 0.00 H new ATOM 1038 N LYS D 69 -11.698 1.192 -4.633 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.032 0.745 -4.999 1.00 0.00 C ATOM 1040 C LYS D 69 -13.344 -0.486 -4.182 1.00 0.00 C ATOM 1041 O LYS D 69 -14.289 -0.510 -3.393 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.043 0.372 -6.470 1.00 0.00 C ATOM 1043 CG LYS D 69 -12.493 1.473 -7.364 1.00 0.00 C ATOM 1044 CD LYS D 69 -12.418 1.039 -8.819 1.00 0.00 C ATOM 1045 CE LYS D 69 -13.786 0.677 -9.372 1.00 0.00 C ATOM 1046 NZ LYS D 69 -13.709 0.255 -10.794 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.055 1.256 -5.422 1.00 0.00 H new ATOM 0 HA LYS D 69 -13.765 1.530 -4.815 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -12.455 -0.534 -6.614 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.064 0.141 -6.773 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.125 2.357 -7.281 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -11.499 1.758 -7.019 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -11.986 1.842 -9.416 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -11.751 0.181 -8.908 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -14.218 -0.127 -8.777 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -14.453 1.534 -9.282 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -14.661 0.016 -11.137 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -13.320 1.032 -11.366 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -13.092 -0.578 -10.876 1.00 0.00 H new ATOM 1060 N SER D 70 -12.385 -1.404 -4.223 1.00 0.00 N ATOM 1061 CA SER D 70 -12.371 -2.528 -3.330 1.00 0.00 C ATOM 1062 C SER D 70 -12.212 -1.991 -1.925 1.00 0.00 C ATOM 1063 O SER D 70 -11.320 -1.190 -1.663 1.00 0.00 O ATOM 1064 CB SER D 70 -11.215 -3.481 -3.660 1.00 0.00 C ATOM 1065 OG SER D 70 -11.292 -4.673 -2.888 1.00 0.00 O ATOM 0 H SER D 70 -11.604 -1.379 -4.878 1.00 0.00 H new ATOM 0 HA SER D 70 -13.298 -3.092 -3.430 1.00 0.00 H new ATOM 0 HB2 SER D 70 -11.238 -3.730 -4.721 1.00 0.00 H new ATOM 0 HB3 SER D 70 -10.264 -2.983 -3.470 1.00 0.00 H new ATOM 0 HG SER D 70 -10.544 -5.262 -3.120 1.00 0.00 H new ATOM 1071 N THR D 71 -13.077 -2.403 -1.031 1.00 0.00 N ATOM 1072 CA THR D 71 -13.007 -1.938 0.332 1.00 0.00 C ATOM 1073 C THR D 71 -11.638 -2.269 0.916 1.00 0.00 C ATOM 1074 O THR D 71 -11.248 -3.435 0.926 1.00 0.00 O ATOM 1075 CB THR D 71 -14.104 -2.597 1.146 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.983 -4.010 1.128 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.496 -2.253 0.660 1.00 0.00 C ATOM 0 H THR D 71 -13.836 -3.058 -1.222 1.00 0.00 H new ATOM 0 HA THR D 71 -13.147 -0.857 0.360 1.00 0.00 H new ATOM 0 HB THR D 71 -13.975 -2.209 2.156 1.00 0.00 H new ATOM 0 HG1 THR D 71 -14.702 -4.407 1.662 1.00 0.00 H new ATOM 0 HG21 THR D 71 -16.234 -2.756 1.285 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.646 -1.175 0.718 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.612 -2.580 -0.373 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.870 -1.248 1.323 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.523 -1.458 1.820 1.00 0.00 C ATOM 1087 C VAL D 72 -9.477 -2.481 2.952 1.00 0.00 C ATOM 1088 O VAL D 72 -8.444 -3.107 3.187 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.808 -0.147 2.230 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.740 0.176 1.198 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.768 1.029 2.292 1.00 0.00 C ATOM 0 H VAL D 72 -11.168 -0.273 1.314 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.968 -1.866 0.976 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.379 -0.300 3.220 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -7.231 1.098 1.478 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -7.018 -0.639 1.155 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -8.205 0.301 0.220 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.224 1.928 2.583 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -10.221 1.181 1.312 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.548 0.824 3.025 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.646 -2.776 3.508 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.784 -3.861 4.442 1.00 0.00 C ATOM 1103 C GLY D 73 -10.591 -5.213 3.800 1.00 0.00 C ATOM 1104 O GLY D 73 -9.717 -5.983 4.195 1.00 0.00 O ATOM 0 H GLY D 73 -11.511 -2.269 3.320 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -10.057 -3.738 5.245 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.773 -3.818 4.898 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.393 -5.485 2.778 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.293 -6.739 2.043 1.00 0.00 C ATOM 1110 C ASN D 74 -9.990 -6.789 1.261 1.00 0.00 C ATOM 1111 O ASN D 74 -9.483 -7.862 0.945 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.483 -6.903 1.091 1.00 0.00 C ATOM 1113 CG ASN D 74 -12.435 -8.208 0.321 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -12.434 -9.290 0.908 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -12.398 -8.116 -0.999 1.00 0.00 N ATOM 0 H ASN D 74 -12.120 -4.854 2.440 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.307 -7.559 2.761 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -13.410 -6.856 1.662 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.499 -6.070 0.388 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -12.367 -8.962 -1.569 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -12.400 -7.199 -1.447 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.405 -5.623 1.033 1.00 0.00 N ATOM 1123 CA ILE D 75 -8.102 -5.545 0.373 1.00 0.00 C ATOM 1124 C ILE D 75 -7.001 -6.014 1.309 1.00 0.00 C ATOM 1125 O ILE D 75 -6.082 -6.707 0.893 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.759 -4.118 -0.070 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.755 -3.570 -1.105 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.337 -4.052 -0.609 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.476 -2.132 -1.474 1.00 0.00 C ATOM 0 H ILE D 75 -9.805 -4.721 1.292 1.00 0.00 H new ATOM 0 HA ILE D 75 -8.167 -6.187 -0.505 1.00 0.00 H new ATOM 0 HB ILE D 75 -7.834 -3.483 0.813 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -8.716 -4.186 -2.003 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -9.767 -3.650 -0.708 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.112 -3.031 -0.918 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.638 -4.357 0.170 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.241 -4.720 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.209 -1.796 -2.208 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -8.543 -1.508 -0.583 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -7.475 -2.053 -1.898 1.00 0.00 H new ATOM 1141 N SER D 76 -7.054 -5.577 2.560 1.00 0.00 N ATOM 1142 CA SER D 76 -6.003 -5.914 3.510 1.00 0.00 C ATOM 1143 C SER D 76 -6.101 -7.357 3.942 1.00 0.00 C ATOM 1144 O SER D 76 -5.076 -7.984 4.214 1.00 0.00 O ATOM 1145 CB SER D 76 -6.017 -4.973 4.712 1.00 0.00 C ATOM 1146 OG SER D 76 -5.072 -5.366 5.692 1.00 0.00 O ATOM 0 H SER D 76 -7.803 -4.996 2.937 1.00 0.00 H new ATOM 0 HA SER D 76 -5.046 -5.784 3.004 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.799 -3.957 4.382 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.014 -4.958 5.152 1.00 0.00 H new ATOM 0 HG SER D 76 -5.213 -4.845 6.510 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.271 -7.944 3.741 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.382 -9.386 3.828 1.00 0.00 C ATOM 1154 C ASN D 77 -6.465 -9.984 2.778 1.00 0.00 C ATOM 1155 O ASN D 77 -5.686 -10.890 3.057 1.00 0.00 O ATOM 1156 CB ASN D 77 -8.817 -9.860 3.575 1.00 0.00 C ATOM 1157 CG ASN D 77 -9.802 -9.434 4.646 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -9.323 -8.760 5.680 1.00 0.00 O flip ATOM 1159 ND2 ASN D 77 -10.993 -9.723 4.548 1.00 0.00 N flip ATOM 0 H ASN D 77 -8.138 -7.454 3.521 1.00 0.00 H new ATOM 0 HA ASN D 77 -7.102 -9.705 4.832 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.152 -9.474 2.612 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -8.823 -10.948 3.502 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -11.326 -10.244 3.737 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -11.648 -9.442 5.278 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.522 -9.399 1.582 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.670 -9.799 0.471 1.00 0.00 C ATOM 1168 C ASP D 78 -4.213 -9.438 0.670 1.00 0.00 C ATOM 1169 O ASP D 78 -3.341 -10.071 0.088 1.00 0.00 O ATOM 1170 CB ASP D 78 -6.162 -9.221 -0.857 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.385 -9.938 -1.383 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -8.414 -9.957 -0.687 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -7.316 -10.483 -2.496 1.00 0.00 O1- ATOM 0 H ASP D 78 -7.161 -8.635 1.360 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.738 -10.886 0.439 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.393 -8.164 -0.726 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.363 -9.284 -1.595 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.921 -8.424 1.456 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.534 -8.053 1.632 1.00 0.00 C ATOM 1180 C ILE D 79 -1.859 -9.017 2.597 1.00 0.00 C ATOM 1181 O ILE D 79 -0.649 -9.237 2.532 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.361 -6.579 2.087 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.164 -5.673 1.157 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -0.892 -6.182 2.016 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -3.128 -4.212 1.532 1.00 0.00 C ATOM 0 H ILE D 79 -4.599 -7.859 1.967 1.00 0.00 H new ATOM 0 HA ILE D 79 -2.047 -8.125 0.660 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.714 -6.476 3.113 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -2.784 -5.785 0.142 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -4.201 -6.009 1.148 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.779 -5.146 2.337 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.308 -6.830 2.669 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.536 -6.285 0.991 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -3.723 -3.639 0.821 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -3.537 -4.083 2.534 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.098 -3.857 1.512 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.681 -9.744 3.339 1.00 0.00 N ATOM 1198 CA ASN D 80 -2.203 -10.848 4.134 1.00 0.00 C ATOM 1199 C ASN D 80 -1.947 -12.063 3.250 1.00 0.00 C ATOM 1200 O ASN D 80 -1.068 -12.870 3.542 1.00 0.00 O ATOM 1201 CB ASN D 80 -3.216 -11.189 5.220 1.00 0.00 C ATOM 1202 CG ASN D 80 -3.343 -10.109 6.280 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -2.549 -9.053 6.168 1.00 0.00 O flip ATOM 1204 ND2 ASN D 80 -4.149 -10.232 7.201 1.00 0.00 N flip ATOM 0 H ASN D 80 -3.686 -9.582 3.402 1.00 0.00 H new ATOM 0 HA ASN D 80 -1.265 -10.559 4.608 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -4.190 -11.354 4.760 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -2.926 -12.125 5.697 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -4.743 -11.060 7.252 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -4.224 -9.506 7.914 1.00 0.00 H new ATOM 1211 N LYS D 81 -2.666 -12.148 2.124 1.00 0.00 N ATOM 1212 CA LYS D 81 -2.434 -13.231 1.167 1.00 0.00 C ATOM 1213 C LYS D 81 -1.137 -12.948 0.433 1.00 0.00 C ATOM 1214 O LYS D 81 -0.126 -13.617 0.620 1.00 0.00 O ATOM 1215 CB LYS D 81 -3.515 -13.346 0.076 1.00 0.00 C ATOM 1216 CG LYS D 81 -4.897 -12.795 0.390 1.00 0.00 C ATOM 1217 CD LYS D 81 -5.542 -13.416 1.612 1.00 0.00 C ATOM 1218 CE LYS D 81 -7.054 -13.222 1.594 1.00 0.00 C ATOM 1219 NZ LYS D 81 -7.707 -13.826 2.785 1.00 0.00 N1+ ATOM 0 H LYS D 81 -3.400 -11.492 1.858 1.00 0.00 H new ATOM 0 HA LYS D 81 -2.428 -14.152 1.749 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -3.147 -12.839 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -3.624 -14.400 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -4.823 -11.718 0.538 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -5.545 -12.954 -0.472 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -5.309 -14.480 1.648 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.126 -12.968 2.514 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -7.282 -12.157 1.556 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -7.466 -13.669 0.689 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -8.734 -13.672 2.733 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -7.511 -14.847 2.808 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -7.333 -13.382 3.648 1.00 0.00 H new ATOM 1233 N LEU D 82 -1.215 -11.914 -0.403 1.00 0.00 N ATOM 1234 CA LEU D 82 -0.117 -11.434 -1.221 1.00 0.00 C ATOM 1235 C LEU D 82 1.181 -11.285 -0.431 1.00 0.00 C ATOM 1236 O LEU D 82 2.259 -11.548 -0.961 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.527 -10.109 -1.838 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.485 -10.209 -3.033 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.775 -10.800 -4.236 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.736 -11.020 -2.735 1.00 0.00 C ATOM 0 H LEU D 82 -2.072 -11.375 -0.529 1.00 0.00 H new ATOM 0 HA LEU D 82 0.087 -12.171 -1.998 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -0.997 -9.498 -1.067 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.372 -9.582 -2.158 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.805 -9.190 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -1.470 -10.863 -5.074 1.00 0.00 H new ATOM 0 HD12 LEU D 82 0.067 -10.164 -4.510 1.00 0.00 H new ATOM 0 HD13 LEU D 82 -0.411 -11.798 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -3.369 -11.051 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -2.454 -12.035 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -3.283 -10.556 -1.914 1.00 0.00 H new ATOM 1252 N ASN D 83 1.041 -10.945 0.858 1.00 0.00 N ATOM 1253 CA ASN D 83 2.162 -10.839 1.808 1.00 0.00 C ATOM 1254 C ASN D 83 3.405 -10.245 1.137 1.00 0.00 C ATOM 1255 O ASN D 83 4.372 -10.959 0.869 1.00 0.00 O ATOM 1256 CB ASN D 83 2.479 -12.226 2.388 1.00 0.00 C ATOM 1257 CG ASN D 83 3.439 -12.192 3.568 1.00 0.00 C ATOM 1258 OD1 ASN D 83 3.770 -11.002 4.048 1.00 0.00 O flip ATOM 1259 ND2 ASN D 83 3.853 -13.238 4.067 1.00 0.00 N flip ATOM 0 H ASN D 83 0.136 -10.733 1.277 1.00 0.00 H new ATOM 0 HA ASN D 83 1.868 -10.167 2.615 1.00 0.00 H new ATOM 0 HB2 ASN D 83 1.549 -12.700 2.702 1.00 0.00 H new ATOM 0 HB3 ASN D 83 2.905 -12.850 1.602 1.00 0.00 H new ATOM 0 HD21 ASN D 83 3.577 -14.136 3.671 1.00 0.00 H new ATOM 0 HD22 ASN D 83 4.472 -13.207 4.877 1.00 0.00 H new ATOM 1266 N ILE D 84 3.311 -8.984 0.727 1.00 0.00 N ATOM 1267 CA ILE D 84 4.362 -8.370 -0.076 1.00 0.00 C ATOM 1268 C ILE D 84 5.586 -8.033 0.773 1.00 0.00 C ATOM 1269 O ILE D 84 5.634 -6.995 1.429 1.00 0.00 O ATOM 1270 CB ILE D 84 3.890 -7.081 -0.799 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.620 -7.301 -1.633 1.00 0.00 C ATOM 1272 CG2 ILE D 84 4.992 -6.557 -1.703 1.00 0.00 C ATOM 1273 CD1 ILE D 84 1.355 -7.449 -0.816 1.00 0.00 C ATOM 0 H ILE D 84 2.523 -8.371 0.936 1.00 0.00 H new ATOM 0 HA ILE D 84 4.625 -9.112 -0.830 1.00 0.00 H new ATOM 0 HB ILE D 84 3.656 -6.354 -0.022 1.00 0.00 H new ATOM 0 HG12 ILE D 84 2.500 -6.462 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE D 84 2.751 -8.195 -2.243 1.00 0.00 H new ATOM 0 HG21 ILE D 84 4.651 -5.652 -2.206 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.875 -6.329 -1.106 1.00 0.00 H new ATOM 0 HG23 ILE D 84 5.242 -7.313 -2.447 1.00 0.00 H new ATOM 0 HD11 ILE D 84 0.507 -7.601 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE D 84 1.450 -8.306 -0.150 1.00 0.00 H new ATOM 0 HD13 ILE D 84 1.195 -6.547 -0.226 1.00 0.00 H new ATOM 1285 N LYS D 85 6.594 -8.892 0.726 1.00 0.00 N ATOM 1286 CA LYS D 85 7.823 -8.651 1.467 1.00 0.00 C ATOM 1287 C LYS D 85 9.052 -8.709 0.567 1.00 0.00 C ATOM 1288 O LYS D 85 9.703 -9.749 0.448 1.00 0.00 O ATOM 1289 CB LYS D 85 7.951 -9.669 2.597 1.00 0.00 C ATOM 1290 CG LYS D 85 7.667 -11.103 2.149 1.00 0.00 C ATOM 1291 CD LYS D 85 8.081 -12.149 3.181 1.00 0.00 C ATOM 1292 CE LYS D 85 7.304 -12.048 4.486 1.00 0.00 C ATOM 1293 NZ LYS D 85 7.716 -13.105 5.443 1.00 0.00 N1+ ATOM 0 H LYS D 85 6.586 -9.757 0.186 1.00 0.00 H new ATOM 0 HA LYS D 85 7.770 -7.645 1.882 1.00 0.00 H new ATOM 0 HB2 LYS D 85 8.958 -9.617 3.012 1.00 0.00 H new ATOM 0 HB3 LYS D 85 7.262 -9.402 3.398 1.00 0.00 H new ATOM 0 HG2 LYS D 85 6.602 -11.208 1.942 1.00 0.00 H new ATOM 0 HG3 LYS D 85 8.194 -11.296 1.214 1.00 0.00 H new ATOM 0 HD2 LYS D 85 7.939 -13.143 2.758 1.00 0.00 H new ATOM 0 HD3 LYS D 85 9.145 -12.041 3.391 1.00 0.00 H new ATOM 0 HE2 LYS D 85 7.466 -11.067 4.933 1.00 0.00 H new ATOM 0 HE3 LYS D 85 6.236 -12.134 4.284 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 7.761 -12.706 6.402 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 7.023 -13.881 5.423 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 8.652 -13.470 5.175 1.00 0.00 H new ATOM 1307 N GLY D 86 9.437 -7.545 0.055 1.00 0.00 N ATOM 1308 CA GLY D 86 10.674 -7.416 -0.707 1.00 0.00 C ATOM 1309 C GLY D 86 10.717 -8.260 -1.970 1.00 0.00 C ATOM 1310 O GLY D 86 9.990 -9.246 -2.106 1.00 0.00 O ATOM 0 H GLY D 86 8.910 -6.677 0.154 1.00 0.00 H new ATOM 0 HA2 GLY D 86 10.814 -6.369 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.512 -7.695 -0.068 1.00 0.00 H new ATOM 1314 N PRO D 87 11.595 -7.911 -2.916 1.00 0.00 N ATOM 1315 CA PRO D 87 12.478 -6.756 -2.816 1.00 0.00 C ATOM 1316 C PRO D 87 11.875 -5.505 -3.478 1.00 0.00 C ATOM 1317 O PRO D 87 10.761 -5.571 -3.984 1.00 0.00 O ATOM 1318 CB PRO D 87 13.698 -7.263 -3.565 1.00 0.00 C ATOM 1319 CG PRO D 87 13.145 -8.112 -4.666 1.00 0.00 C ATOM 1320 CD PRO D 87 11.787 -8.610 -4.194 1.00 0.00 C ATOM 0 HA PRO D 87 12.678 -6.433 -1.794 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.290 -6.438 -3.961 1.00 0.00 H new ATOM 0 HB3 PRO D 87 14.352 -7.840 -2.911 1.00 0.00 H new ATOM 0 HG2 PRO D 87 13.048 -7.537 -5.587 1.00 0.00 H new ATOM 0 HG3 PRO D 87 13.810 -8.948 -4.881 1.00 0.00 H new ATOM 0 HD2 PRO D 87 10.999 -8.367 -4.907 1.00 0.00 H new ATOM 0 HD3 PRO D 87 11.778 -9.692 -4.066 1.00 0.00 H new ATOM 1328 N TYR D 88 12.634 -4.390 -3.462 1.00 0.00 N ATOM 1329 CA TYR D 88 12.236 -3.081 -4.053 1.00 0.00 C ATOM 1330 C TYR D 88 10.722 -2.897 -4.156 1.00 0.00 C ATOM 1331 O TYR D 88 10.113 -3.296 -5.146 1.00 0.00 O ATOM 1332 CB TYR D 88 12.838 -2.889 -5.453 1.00 0.00 C ATOM 1333 CG TYR D 88 14.346 -2.994 -5.507 1.00 0.00 C ATOM 1334 CD1 TYR D 88 14.981 -4.214 -5.348 1.00 0.00 C ATOM 1335 CD2 TYR D 88 15.133 -1.867 -5.696 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.355 -4.316 -5.378 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.511 -1.960 -5.730 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.115 -3.186 -5.570 1.00 0.00 C ATOM 1339 OH TYR D 88 18.487 -3.281 -5.601 1.00 0.00 O ATOM 0 H TYR D 88 13.559 -4.366 -3.032 1.00 0.00 H new ATOM 0 HA TYR D 88 12.628 -2.332 -3.364 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.410 -3.634 -6.124 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.541 -1.911 -5.832 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.388 -5.104 -5.197 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.662 -0.903 -5.818 1.00 0.00 H new ATOM 0 HE1 TYR D 88 16.832 -5.277 -5.252 1.00 0.00 H new ATOM 0 HE2 TYR D 88 17.111 -1.075 -5.881 1.00 0.00 H new ATOM 0 HH TYR D 88 18.873 -2.392 -5.746 1.00 0.00 H new ATOM 1349 N ILE D 89 10.123 -2.293 -3.142 1.00 0.00 N ATOM 1350 CA ILE D 89 8.681 -2.074 -3.126 1.00 0.00 C ATOM 1351 C ILE D 89 8.318 -0.602 -3.244 1.00 0.00 C ATOM 1352 O ILE D 89 8.753 0.227 -2.441 1.00 0.00 O ATOM 1353 CB ILE D 89 8.068 -2.663 -1.842 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.341 -4.171 -1.798 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.570 -2.413 -1.797 1.00 0.00 C ATOM 1356 CD1 ILE D 89 7.846 -4.830 -0.536 1.00 0.00 C ATOM 0 H ILE D 89 10.612 -1.944 -2.317 1.00 0.00 H new ATOM 0 HA ILE D 89 8.270 -2.583 -3.998 1.00 0.00 H new ATOM 0 HB ILE D 89 8.524 -2.177 -0.979 1.00 0.00 H new ATOM 0 HG12 ILE D 89 7.866 -4.644 -2.657 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.413 -4.342 -1.892 1.00 0.00 H new ATOM 0 HG21 ILE D 89 6.158 -2.837 -0.882 1.00 0.00 H new ATOM 0 HG22 ILE D 89 6.379 -1.340 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.097 -2.882 -2.660 1.00 0.00 H new ATOM 0 HD11 ILE D 89 8.071 -5.896 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE D 89 8.340 -4.382 0.326 1.00 0.00 H new ATOM 0 HD13 ILE D 89 6.769 -4.689 -0.451 1.00 0.00 H new ATOM 1368 N GLU D 90 7.400 -0.319 -4.159 1.00 0.00 N ATOM 1369 CA GLU D 90 6.832 1.021 -4.283 1.00 0.00 C ATOM 1370 C GLU D 90 5.309 0.943 -4.327 1.00 0.00 C ATOM 1371 O GLU D 90 4.727 0.569 -5.340 1.00 0.00 O ATOM 1372 CB GLU D 90 7.344 1.736 -5.535 1.00 0.00 C ATOM 1373 CG GLU D 90 8.855 1.868 -5.600 1.00 0.00 C ATOM 1374 CD GLU D 90 9.308 2.610 -6.832 1.00 0.00 C ATOM 1375 OE1 GLU D 90 9.018 2.143 -7.949 1.00 0.00 O ATOM 1376 OE2 GLU D 90 9.943 3.669 -6.684 1.00 0.00 O1- ATOM 0 H GLU D 90 7.032 -0.997 -4.826 1.00 0.00 H new ATOM 0 HA GLU D 90 7.146 1.594 -3.411 1.00 0.00 H new ATOM 0 HB2 GLU D 90 6.999 1.195 -6.416 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.901 2.731 -5.579 1.00 0.00 H new ATOM 0 HG2 GLU D 90 9.211 2.390 -4.712 1.00 0.00 H new ATOM 0 HG3 GLU D 90 9.306 0.876 -5.589 1.00 0.00 H new ATOM 1383 N ILE D 91 4.682 1.240 -3.207 1.00 0.00 N ATOM 1384 CA ILE D 91 3.236 1.158 -3.076 1.00 0.00 C ATOM 1385 C ILE D 91 2.641 2.568 -3.261 1.00 0.00 C ATOM 1386 O ILE D 91 2.835 3.439 -2.410 1.00 0.00 O ATOM 1387 CB ILE D 91 2.881 0.599 -1.671 1.00 0.00 C ATOM 1388 CG1 ILE D 91 3.883 -0.469 -1.251 1.00 0.00 C ATOM 1389 CG2 ILE D 91 1.502 -0.038 -1.646 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.610 -1.034 0.127 1.00 0.00 C ATOM 0 H ILE D 91 5.159 1.546 -2.359 1.00 0.00 H new ATOM 0 HA ILE D 91 2.822 0.492 -3.833 1.00 0.00 H new ATOM 0 HB ILE D 91 2.905 1.448 -0.987 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.866 -1.280 -1.979 1.00 0.00 H new ATOM 0 HG13 ILE D 91 4.887 -0.044 -1.270 1.00 0.00 H new ATOM 0 HG21 ILE D 91 1.294 -0.416 -0.645 1.00 0.00 H new ATOM 0 HG22 ILE D 91 0.753 0.706 -1.916 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.469 -0.862 -2.359 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.359 -1.789 0.366 1.00 0.00 H new ATOM 0 HD12 ILE D 91 3.655 -0.233 0.864 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.619 -1.488 0.144 1.00 0.00 H new ATOM 1402 N LYS D 92 1.885 2.787 -4.350 1.00 0.00 N ATOM 1403 CA LYS D 92 1.238 4.080 -4.600 1.00 0.00 C ATOM 1404 C LYS D 92 0.128 3.903 -5.631 1.00 0.00 C ATOM 1405 O LYS D 92 0.056 2.862 -6.288 1.00 0.00 O ATOM 1406 CB LYS D 92 2.246 5.136 -5.088 1.00 0.00 C ATOM 1407 CG LYS D 92 2.430 5.214 -6.605 1.00 0.00 C ATOM 1408 CD LYS D 92 2.980 3.946 -7.241 1.00 0.00 C ATOM 1409 CE LYS D 92 3.029 4.100 -8.759 1.00 0.00 C ATOM 1410 NZ LYS D 92 4.052 3.224 -9.390 1.00 0.00 N1+ ATOM 0 H LYS D 92 1.709 2.085 -5.068 1.00 0.00 H new ATOM 0 HA LYS D 92 0.817 4.436 -3.660 1.00 0.00 H new ATOM 0 HB2 LYS D 92 1.926 6.113 -4.727 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.214 4.928 -4.632 1.00 0.00 H new ATOM 0 HG2 LYS D 92 1.469 5.447 -7.063 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.102 6.041 -6.835 1.00 0.00 H new ATOM 0 HD2 LYS D 92 3.979 3.740 -6.856 1.00 0.00 H new ATOM 0 HD3 LYS D 92 2.354 3.095 -6.974 1.00 0.00 H new ATOM 0 HE2 LYS D 92 2.049 3.867 -9.176 1.00 0.00 H new ATOM 0 HE3 LYS D 92 3.242 5.139 -9.008 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 4.275 3.580 -10.341 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 4.915 3.224 -8.809 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 3.683 2.254 -9.461 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.692 4.932 -5.838 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.711 4.839 -6.867 1.00 0.00 C ATOM 1426 C GLN D 93 -1.124 5.125 -8.232 1.00 0.00 C ATOM 1427 O GLN D 93 0.037 5.516 -8.366 1.00 0.00 O ATOM 1428 CB GLN D 93 -2.898 5.755 -6.629 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.554 7.219 -6.687 1.00 0.00 C ATOM 1430 CD GLN D 93 -3.775 8.105 -6.552 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -4.703 8.028 -7.360 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -3.785 8.952 -5.534 1.00 0.00 N ATOM 0 H GLN D 93 -0.670 5.812 -5.322 1.00 0.00 H new ATOM 0 HA GLN D 93 -2.080 3.814 -6.824 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.665 5.541 -7.373 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.329 5.531 -5.653 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -1.847 7.455 -5.891 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -2.054 7.435 -7.631 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -2.996 8.983 -4.889 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -4.582 9.573 -5.395 1.00 0.00 H new ATOM 1441 N ILE D 94 -1.884 4.762 -9.236 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.417 4.780 -10.600 1.00 0.00 C ATOM 1443 C ILE D 94 -2.490 5.320 -11.534 1.00 0.00 C ATOM 1444 O ILE D 94 -3.552 5.736 -11.031 1.00 0.00 O ATOM 1445 CB ILE D 94 -1.038 3.358 -11.003 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.206 2.441 -10.686 1.00 0.00 C ATOM 1447 CG2 ILE D 94 0.213 2.900 -10.280 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -1.943 0.982 -10.933 1.00 0.00 C ATOM 1449 OXT ILE D 94 -2.266 5.327 -12.758 1.00 0.00 O ATOM 0 H ILE D 94 -2.847 4.445 -9.129 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.549 5.435 -10.676 1.00 0.00 H new ATOM 0 HB ILE D 94 -0.822 3.329 -12.071 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.482 2.575 -9.640 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -3.064 2.748 -11.284 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.459 1.883 -10.587 1.00 0.00 H new ATOM 0 HG22 ILE D 94 1.041 3.564 -10.528 1.00 0.00 H new ATOM 0 HG23 ILE D 94 0.040 2.922 -9.204 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -2.832 0.404 -10.679 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -1.699 0.829 -11.984 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -1.108 0.653 -10.315 1.00 0.00 H new TER 1461 ILE D 94