USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=27 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 53 ASN : amide:sc= -3.1! K(o=-3.1!,f=-0.021) USER MOD Set 1.2: D 67 ASN : amide:sc= 0 K(o=-3.1,f=-0.022) USER MOD Set 2.1: D 21 ASN : amide:sc= -4.72! C(o=-6.7!,f=-8.5!) USER MOD Set 2.2: D 26 LYS NZ :NH3+ -127:sc= -2.02! (180deg=-4.53!) USER MOD Set 3.1: D 11 ASN : amide:sc= -0.482 K(o=-0.48,f=-2.6!) USER MOD Set 3.2: D 15 SER OG : rot -160:sc= 0 USER MOD Single : D 1 ASP N :NH3+ -179:sc= 0.193 (180deg=0.193) USER MOD Single : D 2 ASN : amide:sc=-0.00139 X(o=-0.0014,f=0) USER MOD Single : D 3 GLN : amide:sc= -0.0698 X(o=-0.07,f=-0.069) USER MOD Single : D 4 LYS NZ :NH3+ -170:sc= -0.0107 (180deg=-0.141) USER MOD Single : D 9 GLN : amide:sc= -6.42! C(o=-6.4!,f=-2!) USER MOD Single : D 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 12 SER OG : rot 170:sc= 0 USER MOD Single : D 14 ASN : amide:sc= -0.0113 K(o=-0.011,f=-0.61) USER MOD Single : D 17 ASN : amide:sc= -7.56! C(o=-7.6!,f=-7.3!) USER MOD Single : D 19 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0661) USER MOD Single : D 22 LYS NZ :NH3+ -121:sc= 1.16 (180deg=0.289) USER MOD Single : D 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 28 SER OG : rot 180:sc= 0 USER MOD Single : D 30 SER OG : rot 0:sc= 0.331! USER MOD Single : D 31 MET CE :methyl 162:sc= -0.194 (180deg=-0.827) USER MOD Single : D 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 34 ASN : amide:sc= -2.14! K(o=-2.1!,f=0) USER MOD Single : D 35 GLN : amide:sc= -2.06! C(o=-2.1!,f=-5.4!) USER MOD Single : D 37 LYS NZ :NH3+ -170:sc= -0.0262 (180deg=-0.175) USER MOD Single : D 39 THR OG1 : rot 147:sc= -3.3! USER MOD Single : D 40 SER OG : rot 33:sc= -2.61! USER MOD Single : D 41 SER OG : rot 180:sc= 0 USER MOD Single : D 42 ASN : amide:sc= -15.5! C(o=-15!,f=-13!) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 180:sc= 0.34 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ 166:sc= -0.0634 (180deg=-0.467) USER MOD Single : D 59 ASN : amide:sc= -4.46! K(o=-4.5!,f=-0.2) USER MOD Single : D 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 64 TYR OH : rot 180:sc= 0 USER MOD Single : D 65 THR OG1 : rot 170:sc= -0.0245 USER MOD Single : D 69 LYS NZ :NH3+ -106:sc= -1.88 (180deg=-4.4!) USER MOD Single : D 70 SER OG : rot 140:sc= -0.254 USER MOD Single : D 71 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : D 74 ASN : amide:sc= -0.271 K(o=-0.27,f=-1.9!) USER MOD Single : D 76 SER OG : rot -130:sc= -0.123 USER MOD Single : D 77 ASN : amide:sc= -1.53! K(o=-1.5!,f=-0.011) USER MOD Single : D 80 ASN : amide:sc= -1.8! K(o=-1.8!,f=-0.027) USER MOD Single : D 81 LYS NZ :NH3+ -171:sc= -0.014 (180deg=-0.13) USER MOD Single : D 83 ASN : amide:sc= -4.71! K(o=-4.7!,f=-0.34) USER MOD Single : D 85 LYS NZ :NH3+ 155:sc= 1.12 (180deg=0.842) USER MOD Single : D 88 TYR OH : rot 180:sc= 0 USER MOD Single : D 92 LYS NZ :NH3+ 180:sc= 1.08 (180deg=1.08) USER MOD Single : D 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP D 1 26.524 9.900 1.576 1.00 0.00 N ATOM 2 CA ASP D 1 25.932 9.918 0.215 1.00 0.00 C ATOM 3 C ASP D 1 24.453 9.569 0.278 1.00 0.00 C ATOM 4 O ASP D 1 23.850 9.599 1.347 1.00 0.00 O ATOM 5 CB ASP D 1 26.679 8.908 -0.666 1.00 0.00 C ATOM 6 CG ASP D 1 28.140 9.254 -0.836 1.00 0.00 C ATOM 7 OD1 ASP D 1 28.859 8.485 -1.499 1.00 0.00 O ATOM 8 OD2 ASP D 1 28.571 10.300 -0.314 1.00 0.00 O1- ATOM 0 H1 ASP D 1 27.530 10.157 1.520 1.00 0.00 H new ATOM 0 H2 ASP D 1 26.025 10.584 2.181 1.00 0.00 H new ATOM 0 H3 ASP D 1 26.432 8.947 1.982 1.00 0.00 H new ATOM 0 HA ASP D 1 26.028 10.917 -0.211 1.00 0.00 H new ATOM 0 HB2 ASP D 1 26.594 7.915 -0.226 1.00 0.00 H new ATOM 0 HB3 ASP D 1 26.203 8.864 -1.646 1.00 0.00 H new ATOM 13 N ASN D 2 23.886 9.168 -0.851 1.00 0.00 N ATOM 14 CA ASN D 2 22.495 8.730 -0.892 1.00 0.00 C ATOM 15 C ASN D 2 22.416 7.296 -1.394 1.00 0.00 C ATOM 16 O ASN D 2 21.446 6.899 -2.039 1.00 0.00 O ATOM 17 CB ASN D 2 21.654 9.650 -1.783 1.00 0.00 C ATOM 18 CG ASN D 2 21.585 11.068 -1.256 1.00 0.00 C ATOM 19 OD1 ASN D 2 21.101 11.310 -0.148 1.00 0.00 O ATOM 20 ND2 ASN D 2 22.072 12.015 -2.043 1.00 0.00 N ATOM 0 H ASN D 2 24.366 9.136 -1.751 1.00 0.00 H new ATOM 0 HA ASN D 2 22.091 8.778 0.119 1.00 0.00 H new ATOM 0 HB2 ASN D 2 22.075 9.660 -2.788 1.00 0.00 H new ATOM 0 HB3 ASN D 2 20.644 9.247 -1.864 1.00 0.00 H new ATOM 0 HD21 ASN D 2 22.056 12.989 -1.740 1.00 0.00 H new ATOM 0 HD22 ASN D 2 22.464 11.771 -2.953 1.00 0.00 H new ATOM 27 N GLN D 3 23.458 6.526 -1.100 1.00 0.00 N ATOM 28 CA GLN D 3 23.538 5.134 -1.526 1.00 0.00 C ATOM 29 C GLN D 3 22.930 4.202 -0.484 1.00 0.00 C ATOM 30 O GLN D 3 23.093 2.983 -0.555 1.00 0.00 O ATOM 31 CB GLN D 3 24.995 4.743 -1.785 1.00 0.00 C ATOM 32 CG GLN D 3 25.658 5.548 -2.893 1.00 0.00 C ATOM 33 CD GLN D 3 24.970 5.363 -4.229 1.00 0.00 C ATOM 34 OE1 GLN D 3 24.876 4.246 -4.740 1.00 0.00 O ATOM 35 NE2 GLN D 3 24.486 6.453 -4.804 1.00 0.00 N ATOM 0 H GLN D 3 24.265 6.846 -0.564 1.00 0.00 H new ATOM 0 HA GLN D 3 22.968 5.033 -2.449 1.00 0.00 H new ATOM 0 HB2 GLN D 3 25.565 4.871 -0.865 1.00 0.00 H new ATOM 0 HB3 GLN D 3 25.037 3.685 -2.042 1.00 0.00 H new ATOM 0 HG2 GLN D 3 25.650 6.605 -2.626 1.00 0.00 H new ATOM 0 HG3 GLN D 3 26.703 5.250 -2.981 1.00 0.00 H new ATOM 0 HE21 GLN D 3 24.586 7.359 -4.346 1.00 0.00 H new ATOM 0 HE22 GLN D 3 24.013 6.387 -5.705 1.00 0.00 H new ATOM 44 N LYS D 4 22.197 4.773 0.462 1.00 0.00 N ATOM 45 CA LYS D 4 21.530 3.981 1.482 1.00 0.00 C ATOM 46 C LYS D 4 20.078 3.750 1.085 1.00 0.00 C ATOM 47 O LYS D 4 19.419 2.846 1.605 1.00 0.00 O ATOM 48 CB LYS D 4 21.606 4.685 2.842 1.00 0.00 C ATOM 49 CG LYS D 4 20.992 3.887 3.984 1.00 0.00 C ATOM 50 CD LYS D 4 21.068 4.636 5.304 1.00 0.00 C ATOM 51 CE LYS D 4 22.506 4.907 5.723 1.00 0.00 C ATOM 52 NZ LYS D 4 23.282 3.653 5.924 1.00 0.00 N1+ ATOM 0 H LYS D 4 22.050 5.779 0.543 1.00 0.00 H new ATOM 0 HA LYS D 4 22.033 3.018 1.567 1.00 0.00 H new ATOM 0 HB2 LYS D 4 22.651 4.891 3.076 1.00 0.00 H new ATOM 0 HB3 LYS D 4 21.100 5.648 2.771 1.00 0.00 H new ATOM 0 HG2 LYS D 4 19.950 3.664 3.752 1.00 0.00 H new ATOM 0 HG3 LYS D 4 21.509 2.932 4.078 1.00 0.00 H new ATOM 0 HD2 LYS D 4 20.532 5.581 5.216 1.00 0.00 H new ATOM 0 HD3 LYS D 4 20.567 4.056 6.079 1.00 0.00 H new ATOM 0 HE2 LYS D 4 22.995 5.516 4.963 1.00 0.00 H new ATOM 0 HE3 LYS D 4 22.510 5.486 6.646 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 24.195 3.877 6.368 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 22.746 3.008 6.540 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 23.447 3.196 5.005 1.00 0.00 H new ATOM 66 N ALA D 5 19.584 4.602 0.182 1.00 0.00 N ATOM 67 CA ALA D 5 18.198 4.549 -0.277 1.00 0.00 C ATOM 68 C ALA D 5 17.239 4.628 0.903 1.00 0.00 C ATOM 69 O ALA D 5 16.596 3.645 1.266 1.00 0.00 O ATOM 70 CB ALA D 5 17.940 3.292 -1.099 1.00 0.00 C ATOM 0 H ALA D 5 20.134 5.345 -0.249 1.00 0.00 H new ATOM 0 HA ALA D 5 18.023 5.411 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA D 5 16.901 3.279 -1.427 1.00 0.00 H new ATOM 0 HB2 ALA D 5 18.596 3.286 -1.970 1.00 0.00 H new ATOM 0 HB3 ALA D 5 18.139 2.411 -0.489 1.00 0.00 H new ATOM 76 N LEU D 6 17.192 5.791 1.533 1.00 0.00 N ATOM 77 CA LEU D 6 16.359 5.982 2.711 1.00 0.00 C ATOM 78 C LEU D 6 15.021 6.607 2.336 1.00 0.00 C ATOM 79 O LEU D 6 14.236 6.979 3.208 1.00 0.00 O ATOM 80 CB LEU D 6 17.067 6.848 3.771 1.00 0.00 C ATOM 81 CG LEU D 6 17.463 8.276 3.353 1.00 0.00 C ATOM 82 CD1 LEU D 6 17.915 9.066 4.566 1.00 0.00 C ATOM 83 CD2 LEU D 6 18.582 8.271 2.321 1.00 0.00 C ATOM 0 H LEU D 6 17.720 6.616 1.249 1.00 0.00 H new ATOM 0 HA LEU D 6 16.179 4.997 3.142 1.00 0.00 H new ATOM 0 HB2 LEU D 6 16.416 6.918 4.642 1.00 0.00 H new ATOM 0 HB3 LEU D 6 17.969 6.325 4.089 1.00 0.00 H new ATOM 0 HG LEU D 6 16.583 8.740 2.907 1.00 0.00 H new ATOM 0 HD11 LEU D 6 18.193 10.075 4.260 1.00 0.00 H new ATOM 0 HD12 LEU D 6 17.102 9.117 5.290 1.00 0.00 H new ATOM 0 HD13 LEU D 6 18.775 8.574 5.020 1.00 0.00 H new ATOM 0 HD21 LEU D 6 18.833 9.297 2.052 1.00 0.00 H new ATOM 0 HD22 LEU D 6 19.461 7.780 2.740 1.00 0.00 H new ATOM 0 HD23 LEU D 6 18.255 7.732 1.432 1.00 0.00 H new ATOM 95 N GLU D 7 14.770 6.715 1.034 1.00 0.00 N ATOM 96 CA GLU D 7 13.530 7.296 0.528 1.00 0.00 C ATOM 97 C GLU D 7 12.308 6.556 1.056 1.00 0.00 C ATOM 98 O GLU D 7 11.355 7.173 1.537 1.00 0.00 O ATOM 99 CB GLU D 7 13.506 7.258 -0.999 1.00 0.00 C ATOM 100 CG GLU D 7 14.634 8.025 -1.664 1.00 0.00 C ATOM 101 CD GLU D 7 14.553 7.951 -3.169 1.00 0.00 C ATOM 102 OE1 GLU D 7 13.525 8.379 -3.729 1.00 0.00 O ATOM 103 OE2 GLU D 7 15.508 7.454 -3.794 1.00 0.00 O1- ATOM 0 H GLU D 7 15.414 6.405 0.306 1.00 0.00 H new ATOM 0 HA GLU D 7 13.494 8.328 0.876 1.00 0.00 H new ATOM 0 HB2 GLU D 7 13.548 6.219 -1.325 1.00 0.00 H new ATOM 0 HB3 GLU D 7 12.555 7.662 -1.345 1.00 0.00 H new ATOM 0 HG2 GLU D 7 14.599 9.068 -1.349 1.00 0.00 H new ATOM 0 HG3 GLU D 7 15.591 7.624 -1.332 1.00 0.00 H new ATOM 110 N GLU D 8 12.296 5.239 0.887 1.00 0.00 N ATOM 111 CA GLU D 8 11.144 4.451 1.259 1.00 0.00 C ATOM 112 C GLU D 8 11.120 4.176 2.756 1.00 0.00 C ATOM 113 O GLU D 8 10.132 3.678 3.286 1.00 0.00 O ATOM 114 CB GLU D 8 11.059 3.142 0.444 1.00 0.00 C ATOM 115 CG GLU D 8 12.291 2.239 0.493 1.00 0.00 C ATOM 116 CD GLU D 8 13.466 2.726 -0.335 1.00 0.00 C ATOM 117 OE1 GLU D 8 14.508 2.048 -0.321 1.00 0.00 O ATOM 118 OE2 GLU D 8 13.346 3.760 -1.020 1.00 0.00 O1- ATOM 0 H GLU D 8 13.071 4.703 0.496 1.00 0.00 H new ATOM 0 HA GLU D 8 10.259 5.039 1.018 1.00 0.00 H new ATOM 0 HB2 GLU D 8 10.201 2.571 0.800 1.00 0.00 H new ATOM 0 HB3 GLU D 8 10.862 3.398 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU D 8 12.611 2.140 1.530 1.00 0.00 H new ATOM 0 HG3 GLU D 8 12.009 1.244 0.149 1.00 0.00 H new ATOM 125 N GLN D 9 12.186 4.550 3.443 1.00 0.00 N ATOM 126 CA GLN D 9 12.251 4.377 4.886 1.00 0.00 C ATOM 127 C GLN D 9 11.868 5.662 5.609 1.00 0.00 C ATOM 128 O GLN D 9 11.985 5.747 6.832 1.00 0.00 O ATOM 129 CB GLN D 9 13.663 3.964 5.306 1.00 0.00 C ATOM 130 CG GLN D 9 14.204 2.784 4.522 1.00 0.00 C ATOM 131 CD GLN D 9 13.281 1.589 4.566 1.00 0.00 C ATOM 132 OE1 GLN D 9 13.045 1.004 5.624 1.00 0.00 O ATOM 133 NE2 GLN D 9 12.722 1.247 3.416 1.00 0.00 N ATOM 0 H GLN D 9 13.016 4.974 3.028 1.00 0.00 H new ATOM 0 HA GLN D 9 11.543 3.595 5.160 1.00 0.00 H new ATOM 0 HB2 GLN D 9 14.335 4.813 5.180 1.00 0.00 H new ATOM 0 HB3 GLN D 9 13.660 3.715 6.367 1.00 0.00 H new ATOM 0 HG2 GLN D 9 14.359 3.081 3.485 1.00 0.00 H new ATOM 0 HG3 GLN D 9 15.178 2.502 4.922 1.00 0.00 H new ATOM 0 HE21 GLN D 9 12.949 1.762 2.565 1.00 0.00 H new ATOM 0 HE22 GLN D 9 12.064 0.468 3.380 1.00 0.00 H new ATOM 142 N MET D 10 11.526 6.697 4.852 1.00 0.00 N ATOM 143 CA MET D 10 11.271 7.999 5.456 1.00 0.00 C ATOM 144 C MET D 10 9.787 8.348 5.445 1.00 0.00 C ATOM 145 O MET D 10 9.110 8.256 6.468 1.00 0.00 O ATOM 146 CB MET D 10 12.080 9.090 4.751 1.00 0.00 C ATOM 147 CG MET D 10 11.951 10.448 5.416 1.00 0.00 C ATOM 148 SD MET D 10 12.472 10.407 7.141 1.00 0.00 S ATOM 149 CE MET D 10 12.170 12.099 7.630 1.00 0.00 C ATOM 0 H MET D 10 11.420 6.663 3.838 1.00 0.00 H new ATOM 0 HA MET D 10 11.589 7.942 6.497 1.00 0.00 H new ATOM 0 HB2 MET D 10 13.130 8.800 4.731 1.00 0.00 H new ATOM 0 HB3 MET D 10 11.751 9.166 3.715 1.00 0.00 H new ATOM 0 HG2 MET D 10 12.553 11.176 4.873 1.00 0.00 H new ATOM 0 HG3 MET D 10 10.915 10.783 5.358 1.00 0.00 H new ATOM 0 HE1 MET D 10 12.445 12.230 8.677 1.00 0.00 H new ATOM 0 HE2 MET D 10 12.767 12.769 7.011 1.00 0.00 H new ATOM 0 HE3 MET D 10 11.113 12.332 7.501 1.00 0.00 H new ATOM 159 N ASN D 11 9.287 8.722 4.275 1.00 0.00 N ATOM 160 CA ASN D 11 7.878 9.060 4.111 1.00 0.00 C ATOM 161 C ASN D 11 7.133 7.913 3.525 1.00 0.00 C ATOM 162 O ASN D 11 6.018 7.635 3.910 1.00 0.00 O ATOM 163 CB ASN D 11 7.682 10.239 3.169 1.00 0.00 C ATOM 164 CG ASN D 11 8.007 11.574 3.802 1.00 0.00 C ATOM 165 OD1 ASN D 11 9.130 11.808 4.248 1.00 0.00 O ATOM 166 ND2 ASN D 11 7.026 12.462 3.847 1.00 0.00 N ATOM 0 H ASN D 11 9.839 8.799 3.421 1.00 0.00 H new ATOM 0 HA ASN D 11 7.506 9.311 5.104 1.00 0.00 H new ATOM 0 HB2 ASN D 11 8.310 10.100 2.289 1.00 0.00 H new ATOM 0 HB3 ASN D 11 6.648 10.251 2.824 1.00 0.00 H new ATOM 0 HD21 ASN D 11 7.187 13.379 4.263 1.00 0.00 H new ATOM 0 HD22 ASN D 11 6.109 12.229 3.466 1.00 0.00 H new ATOM 173 N SER D 12 7.720 7.387 2.477 1.00 0.00 N ATOM 174 CA SER D 12 7.122 6.379 1.625 1.00 0.00 C ATOM 175 C SER D 12 6.076 5.507 2.319 1.00 0.00 C ATOM 176 O SER D 12 4.910 5.489 1.930 1.00 0.00 O ATOM 177 CB SER D 12 8.244 5.493 1.118 1.00 0.00 C ATOM 178 OG SER D 12 7.758 4.425 0.318 1.00 0.00 O ATOM 0 H SER D 12 8.658 7.656 2.181 1.00 0.00 H new ATOM 0 HA SER D 12 6.593 6.898 0.825 1.00 0.00 H new ATOM 0 HB2 SER D 12 8.944 6.092 0.536 1.00 0.00 H new ATOM 0 HB3 SER D 12 8.798 5.089 1.965 1.00 0.00 H new ATOM 0 HG SER D 12 8.511 3.975 -0.119 1.00 0.00 H new ATOM 184 N ILE D 13 6.551 4.689 3.244 1.00 0.00 N ATOM 185 CA ILE D 13 5.739 3.670 3.901 1.00 0.00 C ATOM 186 C ILE D 13 4.861 4.269 4.994 1.00 0.00 C ATOM 187 O ILE D 13 3.928 3.638 5.495 1.00 0.00 O ATOM 188 CB ILE D 13 6.681 2.606 4.481 1.00 0.00 C ATOM 189 CG1 ILE D 13 7.505 2.029 3.349 1.00 0.00 C ATOM 190 CG2 ILE D 13 5.932 1.504 5.222 1.00 0.00 C ATOM 191 CD1 ILE D 13 8.498 0.977 3.792 1.00 0.00 C ATOM 0 H ILE D 13 7.519 4.711 3.565 1.00 0.00 H new ATOM 0 HA ILE D 13 5.066 3.219 3.171 1.00 0.00 H new ATOM 0 HB ILE D 13 7.328 3.080 5.219 1.00 0.00 H new ATOM 0 HG12 ILE D 13 6.834 1.593 2.609 1.00 0.00 H new ATOM 0 HG13 ILE D 13 8.043 2.838 2.854 1.00 0.00 H new ATOM 0 HG21 ILE D 13 6.645 0.778 5.612 1.00 0.00 H new ATOM 0 HG22 ILE D 13 5.369 1.939 6.048 1.00 0.00 H new ATOM 0 HG23 ILE D 13 5.246 1.006 4.537 1.00 0.00 H new ATOM 0 HD11 ILE D 13 9.051 0.611 2.927 1.00 0.00 H new ATOM 0 HD12 ILE D 13 9.194 1.412 4.509 1.00 0.00 H new ATOM 0 HD13 ILE D 13 7.966 0.149 4.260 1.00 0.00 H new ATOM 203 N ASN D 14 5.107 5.517 5.289 1.00 0.00 N ATOM 204 CA ASN D 14 4.272 6.246 6.242 1.00 0.00 C ATOM 205 C ASN D 14 3.163 7.024 5.529 1.00 0.00 C ATOM 206 O ASN D 14 1.972 6.827 5.799 1.00 0.00 O ATOM 207 CB ASN D 14 5.107 7.197 7.099 1.00 0.00 C ATOM 208 CG ASN D 14 6.089 6.473 7.997 1.00 0.00 C ATOM 209 OD1 ASN D 14 6.977 5.760 7.525 1.00 0.00 O ATOM 210 ND2 ASN D 14 5.934 6.649 9.299 1.00 0.00 N ATOM 0 H ASN D 14 5.873 6.060 4.892 1.00 0.00 H new ATOM 0 HA ASN D 14 3.811 5.505 6.895 1.00 0.00 H new ATOM 0 HB2 ASN D 14 5.653 7.880 6.448 1.00 0.00 H new ATOM 0 HB3 ASN D 14 4.441 7.805 7.712 1.00 0.00 H new ATOM 0 HD21 ASN D 14 6.563 6.186 9.955 1.00 0.00 H new ATOM 0 HD22 ASN D 14 5.185 7.248 9.647 1.00 0.00 H new ATOM 217 N SER D 15 3.550 7.925 4.631 1.00 0.00 N ATOM 218 CA SER D 15 2.587 8.740 3.914 1.00 0.00 C ATOM 219 C SER D 15 1.742 7.896 2.970 1.00 0.00 C ATOM 220 O SER D 15 0.642 8.297 2.618 1.00 0.00 O ATOM 221 CB SER D 15 3.270 9.860 3.136 1.00 0.00 C ATOM 222 OG SER D 15 4.072 10.663 3.992 1.00 0.00 O ATOM 0 H SER D 15 4.523 8.106 4.386 1.00 0.00 H new ATOM 0 HA SER D 15 1.933 9.189 4.662 1.00 0.00 H new ATOM 0 HB2 SER D 15 3.889 9.433 2.347 1.00 0.00 H new ATOM 0 HB3 SER D 15 2.517 10.481 2.650 1.00 0.00 H new ATOM 0 HG SER D 15 4.238 11.530 3.566 1.00 0.00 H new ATOM 228 N VAL D 16 2.210 6.684 2.642 1.00 0.00 N ATOM 229 CA VAL D 16 1.423 5.749 1.829 1.00 0.00 C ATOM 230 C VAL D 16 0.066 5.518 2.468 1.00 0.00 C ATOM 231 O VAL D 16 -0.932 5.264 1.800 1.00 0.00 O ATOM 232 CB VAL D 16 2.134 4.379 1.671 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.347 3.708 3.008 1.00 0.00 C ATOM 234 CG2 VAL D 16 1.344 3.452 0.766 1.00 0.00 C ATOM 0 H VAL D 16 3.124 6.330 2.925 1.00 0.00 H new ATOM 0 HA VAL D 16 1.310 6.199 0.843 1.00 0.00 H new ATOM 0 HB VAL D 16 3.105 4.578 1.219 1.00 0.00 H new ATOM 0 HG11 VAL D 16 2.847 2.751 2.859 1.00 0.00 H new ATOM 0 HG12 VAL D 16 2.964 4.346 3.641 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.383 3.543 3.490 1.00 0.00 H new ATOM 0 HG21 VAL D 16 1.867 2.500 0.674 1.00 0.00 H new ATOM 0 HG22 VAL D 16 0.355 3.283 1.192 1.00 0.00 H new ATOM 0 HG23 VAL D 16 1.242 3.906 -0.220 1.00 0.00 H new ATOM 244 N ASN D 17 0.055 5.644 3.773 1.00 0.00 N ATOM 245 CA ASN D 17 -1.157 5.473 4.556 1.00 0.00 C ATOM 246 C ASN D 17 -1.994 6.727 4.493 1.00 0.00 C ATOM 247 O ASN D 17 -3.209 6.663 4.462 1.00 0.00 O ATOM 248 CB ASN D 17 -0.819 5.114 6.006 1.00 0.00 C ATOM 249 CG ASN D 17 -0.125 3.769 6.120 1.00 0.00 C ATOM 250 OD1 ASN D 17 0.261 3.346 7.207 1.00 0.00 O ATOM 251 ND2 ASN D 17 0.014 3.075 4.998 1.00 0.00 N ATOM 0 H ASN D 17 0.882 5.868 4.327 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.733 4.650 4.134 1.00 0.00 H new ATOM 0 HB2 ASN D 17 -0.179 5.888 6.430 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.735 5.099 6.597 1.00 0.00 H new ATOM 0 HD21 ASN D 17 0.455 2.155 5.018 1.00 0.00 H new ATOM 0 HD22 ASN D 17 -0.320 3.461 4.115 1.00 0.00 H new ATOM 258 N ASP D 18 -1.329 7.860 4.402 1.00 0.00 N ATOM 259 CA ASP D 18 -2.002 9.151 4.258 1.00 0.00 C ATOM 260 C ASP D 18 -2.878 9.232 2.998 1.00 0.00 C ATOM 261 O ASP D 18 -3.776 10.072 2.938 1.00 0.00 O ATOM 262 CB ASP D 18 -0.965 10.281 4.223 1.00 0.00 C ATOM 263 CG ASP D 18 -0.221 10.442 5.529 1.00 0.00 C ATOM 264 OD1 ASP D 18 0.448 9.489 5.963 1.00 0.00 O ATOM 265 OD2 ASP D 18 -0.302 11.533 6.122 1.00 0.00 O1- ATOM 0 H ASP D 18 -0.311 7.921 4.425 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.658 9.259 5.121 1.00 0.00 H new ATOM 0 HB2 ASP D 18 -0.249 10.084 3.425 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -1.465 11.218 3.979 1.00 0.00 H new ATOM 270 N LYS D 19 -2.698 8.321 2.034 1.00 0.00 N ATOM 271 CA LYS D 19 -3.586 8.306 0.864 1.00 0.00 C ATOM 272 C LYS D 19 -4.737 7.384 1.151 1.00 0.00 C ATOM 273 O LYS D 19 -5.902 7.726 0.999 1.00 0.00 O ATOM 274 CB LYS D 19 -2.920 7.817 -0.427 1.00 0.00 C ATOM 275 CG LYS D 19 -1.656 8.552 -0.793 1.00 0.00 C ATOM 276 CD LYS D 19 -0.522 7.997 0.014 1.00 0.00 C ATOM 277 CE LYS D 19 0.785 8.702 -0.235 1.00 0.00 C ATOM 278 NZ LYS D 19 1.223 8.609 -1.654 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.971 7.606 2.037 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.892 9.339 0.701 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -2.692 6.756 -0.324 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -3.632 7.912 -1.247 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -1.451 8.442 -1.858 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -1.770 9.619 -0.599 1.00 0.00 H new ATOM 0 HD2 LYS D 19 -0.770 8.068 1.073 1.00 0.00 H new ATOM 0 HD3 LYS D 19 -0.405 6.938 -0.216 1.00 0.00 H new ATOM 0 HE2 LYS D 19 0.687 9.751 0.043 1.00 0.00 H new ATOM 0 HE3 LYS D 19 1.554 8.273 0.408 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 2.180 9.005 -1.749 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 1.230 7.612 -1.951 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 0.566 9.145 -2.256 1.00 0.00 H new ATOM 292 N LEU D 20 -4.353 6.196 1.551 1.00 0.00 N ATOM 293 CA LEU D 20 -5.265 5.125 1.871 1.00 0.00 C ATOM 294 C LEU D 20 -6.254 5.568 2.939 1.00 0.00 C ATOM 295 O LEU D 20 -7.447 5.273 2.887 1.00 0.00 O ATOM 296 CB LEU D 20 -4.423 3.982 2.395 1.00 0.00 C ATOM 297 CG LEU D 20 -3.322 3.513 1.438 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.408 2.507 2.109 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.930 2.913 0.180 1.00 0.00 C ATOM 0 H LEU D 20 -3.372 5.941 1.666 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.838 4.829 0.992 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.964 4.287 3.335 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -5.076 3.139 2.618 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.726 4.383 1.161 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.636 2.191 1.407 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.940 2.965 2.981 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -2.989 1.640 2.423 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -3.134 2.585 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.553 2.060 0.448 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -4.540 3.663 -0.323 1.00 0.00 H new ATOM 311 N ASN D 21 -5.734 6.323 3.889 1.00 0.00 N ATOM 312 CA ASN D 21 -6.524 6.880 4.964 1.00 0.00 C ATOM 313 C ASN D 21 -7.289 8.106 4.489 1.00 0.00 C ATOM 314 O ASN D 21 -6.730 9.201 4.447 1.00 0.00 O ATOM 315 CB ASN D 21 -5.617 7.258 6.142 1.00 0.00 C ATOM 316 CG ASN D 21 -5.192 6.058 6.966 1.00 0.00 C ATOM 317 OD1 ASN D 21 -6.029 5.344 7.514 1.00 0.00 O ATOM 318 ND2 ASN D 21 -3.893 5.833 7.072 1.00 0.00 N ATOM 0 H ASN D 21 -4.745 6.567 3.934 1.00 0.00 H new ATOM 0 HA ASN D 21 -7.241 6.126 5.289 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.730 7.765 5.763 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -6.140 7.967 6.784 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -3.555 5.044 7.624 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -3.229 6.448 6.602 1.00 0.00 H new ATOM 325 N LYS D 22 -8.555 7.941 4.103 1.00 0.00 N ATOM 326 CA LYS D 22 -9.314 9.099 3.609 1.00 0.00 C ATOM 327 C LYS D 22 -10.597 9.386 4.383 1.00 0.00 C ATOM 328 O LYS D 22 -10.908 10.550 4.639 1.00 0.00 O ATOM 329 CB LYS D 22 -9.616 8.986 2.111 1.00 0.00 C ATOM 330 CG LYS D 22 -8.429 9.341 1.220 1.00 0.00 C ATOM 331 CD LYS D 22 -8.813 9.299 -0.253 1.00 0.00 C ATOM 332 CE LYS D 22 -7.758 9.929 -1.153 1.00 0.00 C ATOM 333 NZ LYS D 22 -6.459 9.218 -1.098 1.00 0.00 N1+ ATOM 0 H LYS D 22 -9.063 7.057 4.119 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.655 9.950 3.779 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -9.934 7.968 1.889 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -10.452 9.642 1.867 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -8.064 10.336 1.475 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.611 8.645 1.405 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -8.970 8.263 -0.554 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -9.761 9.819 -0.392 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -8.120 9.935 -2.181 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -7.611 10.969 -0.860 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -5.717 9.875 -0.783 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -6.526 8.425 -0.429 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -6.222 8.855 -2.043 1.00 0.00 H new ATOM 347 N GLY D 23 -11.366 8.363 4.723 1.00 0.00 N ATOM 348 CA GLY D 23 -12.606 8.604 5.413 1.00 0.00 C ATOM 349 C GLY D 23 -13.468 7.372 5.536 1.00 0.00 C ATOM 350 O GLY D 23 -13.383 6.664 6.542 1.00 0.00 O ATOM 0 H GLY D 23 -11.154 7.383 4.534 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -12.391 8.990 6.410 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -13.163 9.378 4.885 1.00 0.00 H new ATOM 354 N LYS D 24 -14.283 7.114 4.504 1.00 0.00 N ATOM 355 CA LYS D 24 -15.168 5.943 4.467 1.00 0.00 C ATOM 356 C LYS D 24 -14.399 4.713 4.882 1.00 0.00 C ATOM 357 O LYS D 24 -14.795 4.001 5.795 1.00 0.00 O ATOM 358 CB LYS D 24 -15.695 5.721 3.052 1.00 0.00 C ATOM 359 CG LYS D 24 -16.774 4.658 2.928 1.00 0.00 C ATOM 360 CD LYS D 24 -18.047 5.078 3.637 1.00 0.00 C ATOM 361 CE LYS D 24 -19.206 4.167 3.273 1.00 0.00 C ATOM 362 NZ LYS D 24 -20.450 4.531 4.000 1.00 0.00 N1+ ATOM 0 H LYS D 24 -14.347 7.707 3.677 1.00 0.00 H new ATOM 0 HA LYS D 24 -16.001 6.120 5.148 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -16.090 6.664 2.676 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.860 5.446 2.408 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -16.986 4.473 1.875 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -16.413 3.720 3.350 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -17.889 5.057 4.715 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -18.292 6.106 3.371 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -19.385 4.220 2.199 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -18.941 3.135 3.502 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -21.216 3.885 3.723 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -20.288 4.456 5.025 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -20.718 5.507 3.762 1.00 0.00 H new ATOM 376 N GLY D 25 -13.276 4.515 4.213 1.00 0.00 N ATOM 377 CA GLY D 25 -12.395 3.419 4.504 1.00 0.00 C ATOM 378 C GLY D 25 -10.963 3.788 4.284 1.00 0.00 C ATOM 379 O GLY D 25 -10.662 4.764 3.596 1.00 0.00 O ATOM 0 H GLY D 25 -12.957 5.116 3.453 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.535 3.104 5.538 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.653 2.568 3.874 1.00 0.00 H new ATOM 383 N LYS D 26 -10.103 3.145 5.034 1.00 0.00 N ATOM 384 CA LYS D 26 -8.709 3.544 5.085 1.00 0.00 C ATOM 385 C LYS D 26 -7.773 2.354 5.211 1.00 0.00 C ATOM 386 O LYS D 26 -8.196 1.261 5.582 1.00 0.00 O ATOM 387 CB LYS D 26 -8.570 4.462 6.256 1.00 0.00 C ATOM 388 CG LYS D 26 -9.408 3.958 7.379 1.00 0.00 C ATOM 389 CD LYS D 26 -9.602 4.978 8.491 1.00 0.00 C ATOM 390 CE LYS D 26 -10.343 6.220 8.009 1.00 0.00 C ATOM 391 NZ LYS D 26 -9.458 7.178 7.297 1.00 0.00 N1+ ATOM 0 H LYS D 26 -10.338 2.343 5.619 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.428 4.040 4.156 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.526 4.521 6.564 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.879 5.470 5.981 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -10.383 3.664 6.991 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.946 3.062 7.794 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -10.158 4.520 9.309 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.630 5.268 8.889 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -11.154 5.919 7.345 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -10.799 6.720 8.863 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -9.551 8.121 7.725 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -8.471 6.860 7.372 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -9.732 7.224 6.295 1.00 0.00 H new ATOM 405 N LEU D 27 -6.513 2.564 4.859 1.00 0.00 N ATOM 406 CA LEU D 27 -5.528 1.499 4.882 1.00 0.00 C ATOM 407 C LEU D 27 -4.201 1.950 5.501 1.00 0.00 C ATOM 408 O LEU D 27 -3.760 3.085 5.320 1.00 0.00 O ATOM 409 CB LEU D 27 -5.322 0.974 3.472 1.00 0.00 C ATOM 410 CG LEU D 27 -4.185 -0.032 3.291 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.402 -1.266 4.150 1.00 0.00 C ATOM 412 CD2 LEU D 27 -4.050 -0.437 1.831 1.00 0.00 C ATOM 0 H LEU D 27 -6.150 3.467 4.553 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.907 0.698 5.516 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.250 0.508 3.140 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -5.138 1.822 2.813 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.263 0.454 3.610 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.578 -1.963 4.000 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.445 -0.976 5.200 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.339 -1.746 3.867 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.235 -1.153 1.726 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -4.980 -0.894 1.493 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.838 0.445 1.227 1.00 0.00 H new ATOM 424 N SER D 28 -3.588 1.033 6.227 1.00 0.00 N ATOM 425 CA SER D 28 -2.319 1.246 6.901 1.00 0.00 C ATOM 426 C SER D 28 -1.361 0.140 6.508 1.00 0.00 C ATOM 427 O SER D 28 -1.794 -0.982 6.254 1.00 0.00 O ATOM 428 CB SER D 28 -2.534 1.186 8.407 1.00 0.00 C ATOM 429 OG SER D 28 -3.503 2.132 8.829 1.00 0.00 O ATOM 0 H SER D 28 -3.967 0.097 6.368 1.00 0.00 H new ATOM 0 HA SER D 28 -1.913 2.218 6.619 1.00 0.00 H new ATOM 0 HB2 SER D 28 -2.854 0.183 8.691 1.00 0.00 H new ATOM 0 HB3 SER D 28 -1.591 1.376 8.919 1.00 0.00 H new ATOM 0 HG SER D 28 -3.621 2.069 9.800 1.00 0.00 H new ATOM 435 N LEU D 29 -0.067 0.417 6.508 1.00 0.00 N ATOM 436 CA LEU D 29 0.901 -0.618 6.195 1.00 0.00 C ATOM 437 C LEU D 29 2.124 -0.507 7.092 1.00 0.00 C ATOM 438 O LEU D 29 2.455 0.576 7.578 1.00 0.00 O ATOM 439 CB LEU D 29 1.352 -0.532 4.745 1.00 0.00 C ATOM 440 CG LEU D 29 0.230 -0.389 3.721 1.00 0.00 C ATOM 441 CD1 LEU D 29 0.787 0.060 2.382 1.00 0.00 C ATOM 442 CD2 LEU D 29 -0.502 -1.704 3.542 1.00 0.00 C ATOM 0 H LEU D 29 0.331 1.333 6.717 1.00 0.00 H new ATOM 0 HA LEU D 29 0.408 -1.576 6.363 1.00 0.00 H new ATOM 0 HB2 LEU D 29 2.027 0.318 4.641 1.00 0.00 H new ATOM 0 HB3 LEU D 29 1.927 -1.427 4.507 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.468 0.361 4.092 1.00 0.00 H new ATOM 0 HD11 LEU D 29 -0.027 0.157 1.663 1.00 0.00 H new ATOM 0 HD12 LEU D 29 1.284 1.023 2.499 1.00 0.00 H new ATOM 0 HD13 LEU D 29 1.504 -0.677 2.021 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -1.298 -1.580 2.808 1.00 0.00 H new ATOM 0 HD22 LEU D 29 0.197 -2.465 3.195 1.00 0.00 H new ATOM 0 HD23 LEU D 29 -0.932 -2.014 4.495 1.00 0.00 H new ATOM 454 N SER D 30 2.826 -1.617 7.243 1.00 0.00 N ATOM 455 CA SER D 30 4.063 -1.668 8.004 1.00 0.00 C ATOM 456 C SER D 30 4.877 -2.886 7.581 1.00 0.00 C ATOM 457 O SER D 30 4.478 -3.628 6.684 1.00 0.00 O ATOM 458 CB SER D 30 3.771 -1.733 9.507 1.00 0.00 C ATOM 459 OG SER D 30 3.055 -0.587 9.946 1.00 0.00 O ATOM 0 H SER D 30 2.553 -2.513 6.839 1.00 0.00 H new ATOM 0 HA SER D 30 4.634 -0.762 7.802 1.00 0.00 H new ATOM 0 HB2 SER D 30 3.194 -2.631 9.729 1.00 0.00 H new ATOM 0 HB3 SER D 30 4.708 -1.812 10.058 1.00 0.00 H new ATOM 0 HG SER D 30 2.897 0.011 9.186 1.00 0.00 H new ATOM 465 N MET D 31 5.967 -3.132 8.286 1.00 0.00 N ATOM 466 CA MET D 31 6.790 -4.310 8.053 1.00 0.00 C ATOM 467 C MET D 31 7.393 -4.775 9.366 1.00 0.00 C ATOM 468 O MET D 31 7.342 -4.059 10.368 1.00 0.00 O ATOM 469 CB MET D 31 7.870 -4.020 6.996 1.00 0.00 C ATOM 470 CG MET D 31 8.749 -2.802 7.284 1.00 0.00 C ATOM 471 SD MET D 31 9.880 -3.033 8.670 1.00 0.00 S ATOM 472 CE MET D 31 10.889 -4.376 8.054 1.00 0.00 C ATOM 0 H MET D 31 6.307 -2.526 9.033 1.00 0.00 H new ATOM 0 HA MET D 31 6.169 -5.115 7.659 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.510 -4.897 6.903 1.00 0.00 H new ATOM 0 HB3 MET D 31 7.383 -3.877 6.031 1.00 0.00 H new ATOM 0 HG2 MET D 31 9.327 -2.563 6.391 1.00 0.00 H new ATOM 0 HG3 MET D 31 8.109 -1.944 7.488 1.00 0.00 H new ATOM 0 HE1 MET D 31 11.814 -4.428 8.627 1.00 0.00 H new ATOM 0 HE2 MET D 31 10.346 -5.315 8.155 1.00 0.00 H new ATOM 0 HE3 MET D 31 11.123 -4.203 7.003 1.00 0.00 H new ATOM 482 N ASN D 32 7.912 -5.986 9.376 1.00 0.00 N ATOM 483 CA ASN D 32 8.467 -6.560 10.595 1.00 0.00 C ATOM 484 C ASN D 32 9.586 -7.528 10.248 1.00 0.00 C ATOM 485 O ASN D 32 9.335 -8.697 9.959 1.00 0.00 O ATOM 486 CB ASN D 32 7.364 -7.281 11.380 1.00 0.00 C ATOM 487 CG ASN D 32 7.854 -7.802 12.713 1.00 0.00 C ATOM 488 OD1 ASN D 32 8.328 -7.035 13.553 1.00 0.00 O ATOM 489 ND2 ASN D 32 7.736 -9.106 12.922 1.00 0.00 N ATOM 0 H ASN D 32 7.963 -6.594 8.559 1.00 0.00 H new ATOM 0 HA ASN D 32 8.874 -5.761 11.215 1.00 0.00 H new ATOM 0 HB2 ASN D 32 6.531 -6.597 11.544 1.00 0.00 H new ATOM 0 HB3 ASN D 32 6.982 -8.111 10.786 1.00 0.00 H new ATOM 0 HD21 ASN D 32 8.044 -9.511 13.806 1.00 0.00 H new ATOM 0 HD22 ASN D 32 7.338 -9.704 12.198 1.00 0.00 H new ATOM 496 N GLY D 33 10.802 -7.008 10.150 1.00 0.00 N ATOM 497 CA GLY D 33 11.913 -7.822 9.681 1.00 0.00 C ATOM 498 C GLY D 33 11.787 -8.108 8.199 1.00 0.00 C ATOM 499 O GLY D 33 12.004 -7.227 7.371 1.00 0.00 O ATOM 0 H GLY D 33 11.041 -6.045 10.384 1.00 0.00 H new ATOM 0 HA2 GLY D 33 12.854 -7.308 9.877 1.00 0.00 H new ATOM 0 HA3 GLY D 33 11.941 -8.760 10.235 1.00 0.00 H new ATOM 503 N ASN D 34 11.314 -9.300 7.867 1.00 0.00 N ATOM 504 CA ASN D 34 11.020 -9.650 6.480 1.00 0.00 C ATOM 505 C ASN D 34 9.522 -9.874 6.301 1.00 0.00 C ATOM 506 O ASN D 34 9.102 -10.731 5.525 1.00 0.00 O ATOM 507 CB ASN D 34 11.790 -10.907 6.054 1.00 0.00 C ATOM 508 CG ASN D 34 13.294 -10.698 5.964 1.00 0.00 C ATOM 509 OD1 ASN D 34 14.044 -11.638 5.703 1.00 0.00 O ATOM 510 ND2 ASN D 34 13.746 -9.466 6.149 1.00 0.00 N ATOM 0 H ASN D 34 11.124 -10.044 8.538 1.00 0.00 H new ATOM 0 HA ASN D 34 11.338 -8.821 5.847 1.00 0.00 H new ATOM 0 HB2 ASN D 34 11.585 -11.707 6.765 1.00 0.00 H new ATOM 0 HB3 ASN D 34 11.419 -11.239 5.084 1.00 0.00 H new ATOM 0 HD21 ASN D 34 14.745 -9.273 6.076 1.00 0.00 H new ATOM 0 HD22 ASN D 34 13.095 -8.711 6.364 1.00 0.00 H new ATOM 517 N GLN D 35 8.721 -9.155 7.079 1.00 0.00 N ATOM 518 CA GLN D 35 7.275 -9.343 7.058 1.00 0.00 C ATOM 519 C GLN D 35 6.579 -8.148 6.418 1.00 0.00 C ATOM 520 O GLN D 35 7.135 -7.053 6.354 1.00 0.00 O ATOM 521 CB GLN D 35 6.755 -9.550 8.481 1.00 0.00 C ATOM 522 CG GLN D 35 5.287 -9.932 8.562 1.00 0.00 C ATOM 523 CD GLN D 35 4.858 -10.256 9.973 1.00 0.00 C ATOM 524 OE1 GLN D 35 5.002 -9.437 10.878 1.00 0.00 O ATOM 525 NE2 GLN D 35 4.317 -11.446 10.167 1.00 0.00 N ATOM 0 H GLN D 35 9.046 -8.440 7.729 1.00 0.00 H new ATOM 0 HA GLN D 35 7.054 -10.228 6.461 1.00 0.00 H new ATOM 0 HB2 GLN D 35 7.348 -10.328 8.962 1.00 0.00 H new ATOM 0 HB3 GLN D 35 6.911 -8.633 9.049 1.00 0.00 H new ATOM 0 HG2 GLN D 35 4.679 -9.113 8.178 1.00 0.00 H new ATOM 0 HG3 GLN D 35 5.102 -10.794 7.921 1.00 0.00 H new ATOM 0 HE21 GLN D 35 4.217 -12.094 9.386 1.00 0.00 H new ATOM 0 HE22 GLN D 35 3.999 -11.716 11.098 1.00 0.00 H new ATOM 534 N LEU D 36 5.351 -8.370 5.974 1.00 0.00 N ATOM 535 CA LEU D 36 4.539 -7.333 5.356 1.00 0.00 C ATOM 536 C LEU D 36 3.224 -7.195 6.101 1.00 0.00 C ATOM 537 O LEU D 36 2.680 -8.183 6.595 1.00 0.00 O ATOM 538 CB LEU D 36 4.367 -7.686 3.877 1.00 0.00 C ATOM 539 CG LEU D 36 3.398 -6.855 3.007 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.945 -7.149 3.343 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.670 -5.364 3.141 1.00 0.00 C ATOM 0 H LEU D 36 4.888 -9.277 6.032 1.00 0.00 H new ATOM 0 HA LEU D 36 5.021 -6.357 5.414 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.351 -7.634 3.412 1.00 0.00 H new ATOM 0 HB3 LEU D 36 4.044 -8.726 3.824 1.00 0.00 H new ATOM 0 HG LEU D 36 3.576 -7.150 1.973 1.00 0.00 H new ATOM 0 HD11 LEU D 36 1.296 -6.545 2.710 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.738 -8.205 3.171 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.758 -6.908 4.389 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.971 -4.809 2.516 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.544 -5.063 4.181 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.690 -5.150 2.822 1.00 0.00 H new ATOM 553 N LYS D 37 2.848 -5.952 6.365 1.00 0.00 N ATOM 554 CA LYS D 37 1.748 -5.668 7.270 1.00 0.00 C ATOM 555 C LYS D 37 0.784 -4.642 6.676 1.00 0.00 C ATOM 556 O LYS D 37 1.164 -3.509 6.423 1.00 0.00 O ATOM 557 CB LYS D 37 2.331 -5.111 8.569 1.00 0.00 C ATOM 558 CG LYS D 37 3.413 -5.996 9.183 1.00 0.00 C ATOM 559 CD LYS D 37 2.874 -7.326 9.698 1.00 0.00 C ATOM 560 CE LYS D 37 1.850 -7.153 10.816 1.00 0.00 C ATOM 561 NZ LYS D 37 2.400 -6.388 11.970 1.00 0.00 N1+ ATOM 0 H LYS D 37 3.290 -5.125 5.964 1.00 0.00 H new ATOM 0 HA LYS D 37 1.192 -6.588 7.448 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.748 -4.123 8.376 1.00 0.00 H new ATOM 0 HB3 LYS D 37 1.526 -4.981 9.292 1.00 0.00 H new ATOM 0 HG2 LYS D 37 4.185 -6.187 8.437 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.889 -5.461 10.004 1.00 0.00 H new ATOM 0 HD2 LYS D 37 2.416 -7.872 8.873 1.00 0.00 H new ATOM 0 HD3 LYS D 37 3.703 -7.933 10.061 1.00 0.00 H new ATOM 0 HE2 LYS D 37 0.972 -6.638 10.426 1.00 0.00 H new ATOM 0 HE3 LYS D 37 1.518 -8.134 11.157 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 1.736 -6.439 12.769 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 3.314 -6.796 12.253 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 2.535 -5.394 11.695 1.00 0.00 H new ATOM 575 N ALA D 38 -0.478 -5.013 6.563 1.00 0.00 N ATOM 576 CA ALA D 38 -1.522 -4.094 6.137 1.00 0.00 C ATOM 577 C ALA D 38 -2.695 -4.139 7.101 1.00 0.00 C ATOM 578 O ALA D 38 -2.964 -5.170 7.721 1.00 0.00 O ATOM 579 CB ALA D 38 -1.985 -4.432 4.734 1.00 0.00 C ATOM 0 H ALA D 38 -0.809 -5.957 6.763 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.111 -3.084 6.135 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.766 -3.735 4.431 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.144 -4.356 4.045 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.379 -5.448 4.716 1.00 0.00 H new ATOM 585 N THR D 39 -3.374 -3.011 7.221 1.00 0.00 N ATOM 586 CA THR D 39 -4.522 -2.869 8.105 1.00 0.00 C ATOM 587 C THR D 39 -5.502 -1.834 7.559 1.00 0.00 C ATOM 588 O THR D 39 -5.113 -0.739 7.201 1.00 0.00 O ATOM 589 CB THR D 39 -4.047 -2.475 9.510 1.00 0.00 C ATOM 590 OG1 THR D 39 -2.952 -1.583 9.433 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.640 -3.644 10.382 1.00 0.00 C ATOM 0 H THR D 39 -3.144 -2.162 6.705 1.00 0.00 H new ATOM 0 HA THR D 39 -5.043 -3.825 8.161 1.00 0.00 H new ATOM 0 HB THR D 39 -4.913 -2.005 9.975 1.00 0.00 H new ATOM 0 HG1 THR D 39 -2.987 -0.957 10.186 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.318 -3.276 11.356 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.489 -4.315 10.510 1.00 0.00 H new ATOM 0 HG23 THR D 39 -2.819 -4.183 9.908 1.00 0.00 H new ATOM 599 N SER D 40 -6.782 -2.136 7.615 1.00 0.00 N ATOM 600 CA SER D 40 -7.809 -1.177 7.249 1.00 0.00 C ATOM 601 C SER D 40 -8.494 -0.723 8.500 1.00 0.00 C ATOM 602 O SER D 40 -8.942 -1.541 9.310 1.00 0.00 O ATOM 603 CB SER D 40 -8.828 -1.805 6.313 1.00 0.00 C ATOM 604 OG SER D 40 -9.368 -3.000 6.859 1.00 0.00 O ATOM 0 H SER D 40 -7.140 -3.044 7.912 1.00 0.00 H new ATOM 0 HA SER D 40 -7.349 -0.334 6.733 1.00 0.00 H new ATOM 0 HB2 SER D 40 -9.633 -1.095 6.120 1.00 0.00 H new ATOM 0 HB3 SER D 40 -8.358 -2.022 5.354 1.00 0.00 H new ATOM 0 HG SER D 40 -9.408 -2.925 7.835 1.00 0.00 H new ATOM 610 N SER D 41 -8.677 0.559 8.621 1.00 0.00 N ATOM 611 CA SER D 41 -9.438 1.049 9.737 1.00 0.00 C ATOM 612 C SER D 41 -10.865 1.202 9.274 1.00 0.00 C ATOM 613 O SER D 41 -11.122 1.036 8.080 1.00 0.00 O ATOM 614 CB SER D 41 -8.888 2.371 10.266 1.00 0.00 C ATOM 615 OG SER D 41 -7.522 2.262 10.626 1.00 0.00 O ATOM 0 H SER D 41 -8.322 1.269 7.981 1.00 0.00 H new ATOM 0 HA SER D 41 -9.375 0.344 10.566 1.00 0.00 H new ATOM 0 HB2 SER D 41 -9.004 3.144 9.506 1.00 0.00 H new ATOM 0 HB3 SER D 41 -9.469 2.686 11.133 1.00 0.00 H new ATOM 0 HG SER D 41 -7.201 3.126 10.959 1.00 0.00 H new ATOM 621 N ASN D 42 -11.782 1.343 10.237 1.00 0.00 N ATOM 622 CA ASN D 42 -13.240 1.328 10.008 1.00 0.00 C ATOM 623 C ASN D 42 -13.704 -0.013 9.429 1.00 0.00 C ATOM 624 O ASN D 42 -14.899 -0.223 9.205 1.00 0.00 O ATOM 625 CB ASN D 42 -13.726 2.522 9.165 1.00 0.00 C ATOM 626 CG ASN D 42 -13.288 2.511 7.733 1.00 0.00 C ATOM 627 OD1 ASN D 42 -13.601 1.607 6.957 1.00 0.00 O ATOM 628 ND2 ASN D 42 -12.538 3.541 7.382 1.00 0.00 N ATOM 0 H ASN D 42 -11.532 1.473 11.217 1.00 0.00 H new ATOM 0 HA ASN D 42 -13.709 1.442 10.985 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -14.815 2.548 9.195 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -13.372 3.442 9.630 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -12.188 3.615 6.427 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -12.309 4.262 8.066 1.00 0.00 H new ATOM 635 N ALA D 43 -12.775 -0.971 9.439 1.00 0.00 N ATOM 636 CA ALA D 43 -13.060 -2.381 9.185 1.00 0.00 C ATOM 637 C ALA D 43 -13.813 -2.662 7.880 1.00 0.00 C ATOM 638 O ALA D 43 -14.771 -3.435 7.891 1.00 0.00 O ATOM 639 CB ALA D 43 -13.820 -2.967 10.362 1.00 0.00 C ATOM 0 H ALA D 43 -11.790 -0.784 9.627 1.00 0.00 H new ATOM 0 HA ALA D 43 -12.090 -2.863 9.066 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -14.032 -4.019 10.171 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -13.217 -2.877 11.266 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -14.757 -2.427 10.495 1.00 0.00 H new ATOM 645 N GLY D 44 -13.228 -2.297 6.741 1.00 0.00 N ATOM 646 CA GLY D 44 -13.738 -2.840 5.497 1.00 0.00 C ATOM 647 C GLY D 44 -14.568 -1.896 4.661 1.00 0.00 C ATOM 648 O GLY D 44 -15.469 -2.343 3.957 1.00 0.00 O ATOM 0 H GLY D 44 -12.438 -1.658 6.658 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -12.894 -3.180 4.897 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -14.341 -3.719 5.726 1.00 0.00 H new ATOM 652 N TYR D 45 -14.208 -0.627 4.618 1.00 0.00 N ATOM 653 CA TYR D 45 -14.863 0.296 3.710 1.00 0.00 C ATOM 654 C TYR D 45 -13.844 0.849 2.724 1.00 0.00 C ATOM 655 O TYR D 45 -12.646 0.848 3.005 1.00 0.00 O ATOM 656 CB TYR D 45 -15.562 1.429 4.470 1.00 0.00 C ATOM 657 CG TYR D 45 -16.774 0.973 5.282 1.00 0.00 C ATOM 658 CD1 TYR D 45 -18.025 1.573 5.134 1.00 0.00 C ATOM 659 CD2 TYR D 45 -16.666 -0.068 6.199 1.00 0.00 C ATOM 660 CE1 TYR D 45 -19.114 1.146 5.868 1.00 0.00 C ATOM 661 CE2 TYR D 45 -17.753 -0.497 6.934 1.00 0.00 C ATOM 662 CZ TYR D 45 -18.973 0.112 6.763 1.00 0.00 C ATOM 663 OH TYR D 45 -20.060 -0.318 7.489 1.00 0.00 O ATOM 0 H TYR D 45 -13.474 -0.215 5.194 1.00 0.00 H new ATOM 0 HA TYR D 45 -15.634 -0.245 3.161 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -14.844 1.901 5.141 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.880 2.190 3.757 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -18.144 2.386 4.433 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -15.710 -0.551 6.339 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -20.074 1.623 5.739 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -17.645 -1.307 7.640 1.00 0.00 H new ATOM 0 HH TYR D 45 -19.791 -1.056 8.074 1.00 0.00 H new ATOM 673 N GLY D 46 -14.315 1.335 1.583 1.00 0.00 N ATOM 674 CA GLY D 46 -13.417 1.915 0.596 1.00 0.00 C ATOM 675 C GLY D 46 -13.284 3.401 0.811 1.00 0.00 C ATOM 676 O GLY D 46 -13.838 3.907 1.764 1.00 0.00 O ATOM 0 H GLY D 46 -15.301 1.339 1.321 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.437 1.443 0.665 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -13.795 1.719 -0.407 1.00 0.00 H new ATOM 680 N ILE D 47 -12.554 4.100 -0.055 1.00 0.00 N ATOM 681 CA ILE D 47 -12.357 5.550 0.090 1.00 0.00 C ATOM 682 C ILE D 47 -13.667 6.241 0.360 1.00 0.00 C ATOM 683 O ILE D 47 -13.806 7.030 1.294 1.00 0.00 O ATOM 684 CB ILE D 47 -11.837 6.170 -1.205 1.00 0.00 C ATOM 685 CG1 ILE D 47 -10.581 5.474 -1.679 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.588 7.659 -1.035 1.00 0.00 C ATOM 687 CD1 ILE D 47 -9.480 5.427 -0.642 1.00 0.00 C ATOM 0 H ILE D 47 -12.088 3.692 -0.865 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.649 5.679 0.909 1.00 0.00 H new ATOM 0 HB ILE D 47 -12.606 6.036 -1.965 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -10.831 4.456 -1.976 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -10.208 5.983 -2.568 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -11.218 8.075 -1.972 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.519 8.155 -0.760 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -10.848 7.817 -0.251 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -8.612 4.913 -1.056 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -9.200 6.443 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -9.833 4.892 0.239 1.00 0.00 H new ATOM 699 N SER D 48 -14.579 5.980 -0.547 1.00 0.00 N ATOM 700 CA SER D 48 -15.888 6.582 -0.563 1.00 0.00 C ATOM 701 C SER D 48 -16.624 5.971 -1.742 1.00 0.00 C ATOM 702 O SER D 48 -16.203 4.921 -2.233 1.00 0.00 O ATOM 703 CB SER D 48 -15.760 8.104 -0.711 1.00 0.00 C ATOM 704 OG SER D 48 -17.015 8.754 -0.577 1.00 0.00 O ATOM 0 H SER D 48 -14.425 5.325 -1.314 1.00 0.00 H new ATOM 0 HA SER D 48 -16.433 6.398 0.363 1.00 0.00 H new ATOM 0 HB2 SER D 48 -15.071 8.486 0.042 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.331 8.340 -1.685 1.00 0.00 H new ATOM 0 HG SER D 48 -16.894 9.722 -0.675 1.00 0.00 H new ATOM 710 N TYR D 49 -17.498 6.729 -2.372 1.00 0.00 N ATOM 711 CA TYR D 49 -17.981 6.321 -3.678 1.00 0.00 C ATOM 712 C TYR D 49 -17.039 6.866 -4.728 1.00 0.00 C ATOM 713 O TYR D 49 -17.337 7.858 -5.391 1.00 0.00 O ATOM 714 CB TYR D 49 -19.392 6.833 -3.949 1.00 0.00 C ATOM 715 CG TYR D 49 -20.489 6.138 -3.143 1.00 0.00 C ATOM 716 CD1 TYR D 49 -21.762 5.880 -3.676 1.00 0.00 C ATOM 717 CD2 TYR D 49 -20.248 5.734 -1.834 1.00 0.00 C ATOM 718 CE1 TYR D 49 -22.732 5.250 -2.925 1.00 0.00 C ATOM 719 CE2 TYR D 49 -21.219 5.104 -1.086 1.00 0.00 C ATOM 720 CZ TYR D 49 -22.457 4.865 -1.635 1.00 0.00 C ATOM 721 OH TYR D 49 -23.425 4.239 -0.888 1.00 0.00 O ATOM 0 H TYR D 49 -17.880 7.605 -2.016 1.00 0.00 H new ATOM 0 HA TYR D 49 -18.015 5.232 -3.709 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -19.424 7.901 -3.735 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -19.609 6.714 -5.011 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -21.985 6.179 -4.689 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -19.279 5.918 -1.394 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -23.706 5.060 -3.350 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -21.008 4.799 -0.072 1.00 0.00 H new ATOM 0 HH TYR D 49 -23.069 4.032 0.001 1.00 0.00 H new ATOM 731 N GLU D 50 -15.876 6.248 -4.826 1.00 0.00 N ATOM 732 CA GLU D 50 -14.844 6.704 -5.736 1.00 0.00 C ATOM 733 C GLU D 50 -14.175 5.548 -6.443 1.00 0.00 C ATOM 734 O GLU D 50 -14.576 4.393 -6.287 1.00 0.00 O ATOM 735 CB GLU D 50 -13.771 7.502 -4.998 1.00 0.00 C ATOM 736 CG GLU D 50 -14.185 8.904 -4.606 1.00 0.00 C ATOM 737 CD GLU D 50 -14.705 9.712 -5.775 1.00 0.00 C ATOM 738 OE1 GLU D 50 -13.989 9.827 -6.788 1.00 0.00 O ATOM 739 OE2 GLU D 50 -15.824 10.247 -5.671 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.623 5.423 -4.282 1.00 0.00 H new ATOM 0 HA GLU D 50 -15.339 7.340 -6.470 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -13.486 6.957 -4.098 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -12.884 7.562 -5.629 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -14.956 8.848 -3.837 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -13.332 9.420 -4.165 1.00 0.00 H new ATOM 746 N ASP D 51 -13.107 5.860 -7.169 1.00 0.00 N ATOM 747 CA ASP D 51 -12.338 4.835 -7.845 1.00 0.00 C ATOM 748 C ASP D 51 -10.853 5.171 -7.926 1.00 0.00 C ATOM 749 O ASP D 51 -10.456 6.299 -8.205 1.00 0.00 O ATOM 750 CB ASP D 51 -12.937 4.545 -9.219 1.00 0.00 C ATOM 751 CG ASP D 51 -12.877 5.715 -10.191 1.00 0.00 C ATOM 752 OD1 ASP D 51 -13.234 5.516 -11.368 1.00 0.00 O ATOM 753 OD2 ASP D 51 -12.522 6.839 -9.780 1.00 0.00 O1- ATOM 0 H ASP D 51 -12.760 6.810 -7.301 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.401 3.926 -7.246 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -12.413 3.696 -9.658 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -13.978 4.247 -9.093 1.00 0.00 H new ATOM 758 N LYS D 52 -10.037 4.178 -7.595 1.00 0.00 N ATOM 759 CA LYS D 52 -8.596 4.330 -7.538 1.00 0.00 C ATOM 760 C LYS D 52 -7.943 3.039 -7.977 1.00 0.00 C ATOM 761 O LYS D 52 -8.292 1.966 -7.480 1.00 0.00 O ATOM 762 CB LYS D 52 -8.089 4.665 -6.132 1.00 0.00 C ATOM 763 CG LYS D 52 -8.506 6.022 -5.570 1.00 0.00 C ATOM 764 CD LYS D 52 -9.959 6.073 -5.121 1.00 0.00 C ATOM 765 CE LYS D 52 -10.301 7.453 -4.574 1.00 0.00 C ATOM 766 NZ LYS D 52 -9.998 8.537 -5.547 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.362 3.241 -7.358 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.337 5.159 -8.197 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -8.437 3.890 -5.449 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -7.000 4.618 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -7.864 6.269 -4.724 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -8.342 6.787 -6.329 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.613 5.836 -5.960 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -10.136 5.318 -4.355 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -11.359 7.486 -4.314 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -9.741 7.626 -3.655 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -10.457 9.418 -5.239 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -8.969 8.681 -5.597 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -10.356 8.270 -6.486 1.00 0.00 H new ATOM 780 N ASN D 53 -6.943 3.142 -8.826 1.00 0.00 N ATOM 781 CA ASN D 53 -6.180 1.974 -9.221 1.00 0.00 C ATOM 782 C ASN D 53 -4.839 1.994 -8.527 1.00 0.00 C ATOM 783 O ASN D 53 -4.248 3.059 -8.340 1.00 0.00 O ATOM 784 CB ASN D 53 -6.012 1.899 -10.738 1.00 0.00 C ATOM 785 CG ASN D 53 -7.323 1.635 -11.456 1.00 0.00 C ATOM 786 OD1 ASN D 53 -7.351 1.518 -12.681 1.00 0.00 O ATOM 787 ND2 ASN D 53 -8.422 1.551 -10.710 1.00 0.00 N ATOM 0 H ASN D 53 -6.639 4.016 -9.255 1.00 0.00 H new ATOM 0 HA ASN D 53 -6.727 1.081 -8.919 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -5.585 2.835 -11.100 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.302 1.109 -10.983 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -9.326 1.384 -11.151 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.360 1.653 -9.697 1.00 0.00 H new ATOM 794 N TRP D 54 -4.453 0.856 -7.983 1.00 0.00 N ATOM 795 CA TRP D 54 -3.289 0.807 -7.124 1.00 0.00 C ATOM 796 C TRP D 54 -2.267 -0.219 -7.571 1.00 0.00 C ATOM 797 O TRP D 54 -2.608 -1.205 -8.222 1.00 0.00 O ATOM 798 CB TRP D 54 -3.703 0.496 -5.701 1.00 0.00 C ATOM 799 CG TRP D 54 -3.425 1.622 -4.790 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.133 2.771 -4.603 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.269 1.722 -4.006 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.479 3.568 -3.691 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.319 2.937 -3.319 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.196 0.871 -3.814 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.309 3.319 -2.450 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.211 1.250 -2.962 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.269 2.465 -2.289 1.00 0.00 C ATOM 0 H TRP D 54 -4.924 -0.038 -8.119 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.822 1.790 -7.183 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.767 0.262 -5.675 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -3.173 -0.391 -5.354 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -5.063 3.018 -5.094 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -3.802 4.473 -3.350 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.143 -0.075 -4.332 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.349 4.260 -1.922 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.634 0.596 -2.804 1.00 0.00 H new ATOM 0 HH2 TRP D 54 0.535 2.735 -1.621 1.00 0.00 H new ATOM 818 N GLY D 55 -1.021 -0.025 -7.139 1.00 0.00 N ATOM 819 CA GLY D 55 0.007 -0.994 -7.438 1.00 0.00 C ATOM 820 C GLY D 55 1.116 -1.064 -6.400 1.00 0.00 C ATOM 821 O GLY D 55 1.302 -0.169 -5.578 1.00 0.00 O ATOM 0 H GLY D 55 -0.713 0.780 -6.593 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.452 -1.978 -7.530 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.446 -0.755 -8.407 1.00 0.00 H new ATOM 825 N ILE D 56 1.839 -2.161 -6.479 1.00 0.00 N ATOM 826 CA ILE D 56 2.969 -2.494 -5.608 1.00 0.00 C ATOM 827 C ILE D 56 4.069 -3.030 -6.507 1.00 0.00 C ATOM 828 O ILE D 56 3.837 -3.976 -7.258 1.00 0.00 O ATOM 829 CB ILE D 56 2.547 -3.587 -4.599 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.319 -3.136 -3.807 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.687 -3.925 -3.657 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.758 -4.208 -2.901 1.00 0.00 C ATOM 0 H ILE D 56 1.656 -2.881 -7.178 1.00 0.00 H new ATOM 0 HA ILE D 56 3.304 -1.621 -5.048 1.00 0.00 H new ATOM 0 HB ILE D 56 2.292 -4.486 -5.160 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.584 -2.266 -3.206 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.544 -2.818 -4.504 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.364 -4.696 -2.957 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.538 -4.290 -4.232 1.00 0.00 H new ATOM 0 HG23 ILE D 56 3.979 -3.032 -3.104 1.00 0.00 H new ATOM 0 HD11 ILE D 56 -0.111 -3.818 -2.371 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.462 -5.071 -3.498 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.518 -4.509 -2.180 1.00 0.00 H new ATOM 844 N PHE D 57 5.139 -2.272 -6.644 1.00 0.00 N ATOM 845 CA PHE D 57 6.087 -2.549 -7.711 1.00 0.00 C ATOM 846 C PHE D 57 7.378 -3.143 -7.176 1.00 0.00 C ATOM 847 O PHE D 57 8.286 -2.421 -6.768 1.00 0.00 O ATOM 848 CB PHE D 57 6.373 -1.284 -8.540 1.00 0.00 C ATOM 849 CG PHE D 57 5.126 -0.624 -9.077 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.798 -0.721 -10.417 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.285 0.102 -8.243 1.00 0.00 C ATOM 852 CE1 PHE D 57 3.656 -0.120 -10.908 1.00 0.00 C ATOM 853 CE2 PHE D 57 3.152 0.696 -8.726 1.00 0.00 C ATOM 854 CZ PHE D 57 2.832 0.587 -10.056 1.00 0.00 C ATOM 0 H PHE D 57 5.373 -1.478 -6.048 1.00 0.00 H new ATOM 0 HA PHE D 57 5.628 -3.291 -8.365 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.916 -0.569 -7.922 1.00 0.00 H new ATOM 0 HB3 PHE D 57 7.025 -1.545 -9.374 1.00 0.00 H new ATOM 0 HD1 PHE D 57 5.442 -1.272 -11.086 1.00 0.00 H new ATOM 0 HD2 PHE D 57 4.530 0.199 -7.196 1.00 0.00 H new ATOM 0 HE1 PHE D 57 3.408 -0.203 -11.956 1.00 0.00 H new ATOM 0 HE2 PHE D 57 2.508 1.252 -8.060 1.00 0.00 H new ATOM 0 HZ PHE D 57 1.936 1.054 -10.436 1.00 0.00 H new ATOM 864 N VAL D 58 7.482 -4.460 -7.277 1.00 0.00 N ATOM 865 CA VAL D 58 8.696 -5.168 -6.907 1.00 0.00 C ATOM 866 C VAL D 58 9.647 -5.237 -8.094 1.00 0.00 C ATOM 867 O VAL D 58 9.390 -5.956 -9.059 1.00 0.00 O ATOM 868 CB VAL D 58 8.386 -6.596 -6.412 1.00 0.00 C ATOM 869 CG1 VAL D 58 9.663 -7.369 -6.145 1.00 0.00 C ATOM 870 CG2 VAL D 58 7.534 -6.551 -5.155 1.00 0.00 C ATOM 0 H VAL D 58 6.732 -5.063 -7.615 1.00 0.00 H new ATOM 0 HA VAL D 58 9.166 -4.616 -6.093 1.00 0.00 H new ATOM 0 HB VAL D 58 7.831 -7.109 -7.198 1.00 0.00 H new ATOM 0 HG11 VAL D 58 9.415 -8.372 -5.797 1.00 0.00 H new ATOM 0 HG12 VAL D 58 10.246 -7.437 -7.064 1.00 0.00 H new ATOM 0 HG13 VAL D 58 10.247 -6.854 -5.382 1.00 0.00 H new ATOM 0 HG21 VAL D 58 7.325 -7.567 -4.820 1.00 0.00 H new ATOM 0 HG22 VAL D 58 8.069 -6.014 -4.372 1.00 0.00 H new ATOM 0 HG23 VAL D 58 6.596 -6.040 -5.370 1.00 0.00 H new ATOM 880 N ASN D 59 10.724 -4.458 -8.021 1.00 0.00 N ATOM 881 CA ASN D 59 11.722 -4.382 -9.094 1.00 0.00 C ATOM 882 C ASN D 59 11.143 -3.703 -10.329 1.00 0.00 C ATOM 883 O ASN D 59 11.576 -3.965 -11.451 1.00 0.00 O ATOM 884 CB ASN D 59 12.256 -5.772 -9.476 1.00 0.00 C ATOM 885 CG ASN D 59 12.996 -6.470 -8.349 1.00 0.00 C ATOM 886 OD1 ASN D 59 13.431 -7.611 -8.500 1.00 0.00 O ATOM 887 ND2 ASN D 59 13.153 -5.797 -7.218 1.00 0.00 N ATOM 0 H ASN D 59 10.932 -3.862 -7.220 1.00 0.00 H new ATOM 0 HA ASN D 59 12.552 -3.788 -8.712 1.00 0.00 H new ATOM 0 HB2 ASN D 59 11.422 -6.398 -9.794 1.00 0.00 H new ATOM 0 HB3 ASN D 59 12.924 -5.673 -10.331 1.00 0.00 H new ATOM 0 HD21 ASN D 59 13.649 -6.224 -6.435 1.00 0.00 H new ATOM 0 HD22 ASN D 59 12.778 -4.852 -7.130 1.00 0.00 H new ATOM 894 N GLY D 60 10.217 -2.777 -10.114 1.00 0.00 N ATOM 895 CA GLY D 60 9.667 -2.018 -11.221 1.00 0.00 C ATOM 896 C GLY D 60 8.317 -2.512 -11.680 1.00 0.00 C ATOM 897 O GLY D 60 7.514 -1.742 -12.208 1.00 0.00 O ATOM 0 H GLY D 60 9.838 -2.539 -9.197 1.00 0.00 H new ATOM 0 HA2 GLY D 60 9.581 -0.972 -10.926 1.00 0.00 H new ATOM 0 HA3 GLY D 60 10.363 -2.057 -12.059 1.00 0.00 H new ATOM 901 N GLU D 61 8.109 -3.806 -11.564 1.00 0.00 N ATOM 902 CA GLU D 61 6.889 -4.434 -12.063 1.00 0.00 C ATOM 903 C GLU D 61 5.793 -4.460 -11.001 1.00 0.00 C ATOM 904 O GLU D 61 6.053 -4.676 -9.817 1.00 0.00 O ATOM 905 CB GLU D 61 7.188 -5.851 -12.566 1.00 0.00 C ATOM 906 CG GLU D 61 7.828 -6.751 -11.524 1.00 0.00 C ATOM 907 CD GLU D 61 8.152 -8.122 -12.061 1.00 0.00 C ATOM 908 OE1 GLU D 61 8.920 -8.210 -13.036 1.00 0.00 O ATOM 909 OE2 GLU D 61 7.654 -9.115 -11.499 1.00 0.00 O1- ATOM 0 H GLU D 61 8.767 -4.452 -11.128 1.00 0.00 H new ATOM 0 HA GLU D 61 6.522 -3.834 -12.896 1.00 0.00 H new ATOM 0 HB2 GLU D 61 6.259 -6.309 -12.906 1.00 0.00 H new ATOM 0 HB3 GLU D 61 7.848 -5.787 -13.431 1.00 0.00 H new ATOM 0 HG2 GLU D 61 8.742 -6.283 -11.158 1.00 0.00 H new ATOM 0 HG3 GLU D 61 7.156 -6.848 -10.672 1.00 0.00 H new ATOM 916 N LYS D 62 4.571 -4.189 -11.438 1.00 0.00 N ATOM 917 CA LYS D 62 3.423 -4.124 -10.543 1.00 0.00 C ATOM 918 C LYS D 62 2.901 -5.528 -10.244 1.00 0.00 C ATOM 919 O LYS D 62 2.314 -6.181 -11.109 1.00 0.00 O ATOM 920 CB LYS D 62 2.335 -3.260 -11.189 1.00 0.00 C ATOM 921 CG LYS D 62 1.083 -3.074 -10.346 1.00 0.00 C ATOM 922 CD LYS D 62 0.116 -2.115 -11.027 1.00 0.00 C ATOM 923 CE LYS D 62 -0.291 -2.617 -12.406 1.00 0.00 C ATOM 924 NZ LYS D 62 -1.159 -1.649 -13.128 1.00 0.00 N1+ ATOM 0 H LYS D 62 4.348 -4.009 -12.417 1.00 0.00 H new ATOM 0 HA LYS D 62 3.721 -3.673 -9.596 1.00 0.00 H new ATOM 0 HB2 LYS D 62 2.755 -2.279 -11.412 1.00 0.00 H new ATOM 0 HB3 LYS D 62 2.052 -3.709 -12.141 1.00 0.00 H new ATOM 0 HG2 LYS D 62 0.598 -4.037 -10.188 1.00 0.00 H new ATOM 0 HG3 LYS D 62 1.354 -2.689 -9.363 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -0.772 -1.991 -10.407 1.00 0.00 H new ATOM 0 HD3 LYS D 62 0.580 -1.133 -11.119 1.00 0.00 H new ATOM 0 HE2 LYS D 62 0.604 -2.810 -12.998 1.00 0.00 H new ATOM 0 HE3 LYS D 62 -0.817 -3.566 -12.304 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 -1.409 -2.036 -14.061 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 -2.026 -1.483 -12.578 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 -0.650 -0.751 -13.251 1.00 0.00 H new ATOM 938 N VAL D 63 3.209 -6.026 -9.054 1.00 0.00 N ATOM 939 CA VAL D 63 2.872 -7.395 -8.690 1.00 0.00 C ATOM 940 C VAL D 63 1.425 -7.537 -8.213 1.00 0.00 C ATOM 941 O VAL D 63 0.797 -8.573 -8.439 1.00 0.00 O ATOM 942 CB VAL D 63 3.832 -7.945 -7.624 1.00 0.00 C ATOM 943 CG1 VAL D 63 5.264 -7.901 -8.131 1.00 0.00 C ATOM 944 CG2 VAL D 63 3.711 -7.193 -6.307 1.00 0.00 C ATOM 0 H VAL D 63 3.692 -5.502 -8.324 1.00 0.00 H new ATOM 0 HA VAL D 63 2.980 -7.985 -9.600 1.00 0.00 H new ATOM 0 HB VAL D 63 3.552 -8.981 -7.434 1.00 0.00 H new ATOM 0 HG11 VAL D 63 5.933 -8.294 -7.365 1.00 0.00 H new ATOM 0 HG12 VAL D 63 5.349 -8.507 -9.033 1.00 0.00 H new ATOM 0 HG13 VAL D 63 5.538 -6.871 -8.359 1.00 0.00 H new ATOM 0 HG21 VAL D 63 4.407 -7.615 -5.582 1.00 0.00 H new ATOM 0 HG22 VAL D 63 3.946 -6.141 -6.466 1.00 0.00 H new ATOM 0 HG23 VAL D 63 2.693 -7.284 -5.928 1.00 0.00 H new ATOM 954 N TYR D 64 0.892 -6.509 -7.560 1.00 0.00 N ATOM 955 CA TYR D 64 -0.482 -6.563 -7.072 1.00 0.00 C ATOM 956 C TYR D 64 -1.225 -5.268 -7.388 1.00 0.00 C ATOM 957 O TYR D 64 -0.747 -4.176 -7.074 1.00 0.00 O ATOM 958 CB TYR D 64 -0.518 -6.829 -5.562 1.00 0.00 C ATOM 959 CG TYR D 64 -1.924 -7.001 -5.015 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.342 -6.332 -3.870 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.839 -7.831 -5.655 1.00 0.00 C ATOM 962 CE1 TYR D 64 -3.625 -6.485 -3.383 1.00 0.00 C ATOM 963 CE2 TYR D 64 -4.122 -7.989 -5.171 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.510 -7.313 -4.037 1.00 0.00 C ATOM 965 OH TYR D 64 -5.790 -7.461 -3.559 1.00 0.00 O ATOM 0 H TYR D 64 1.383 -5.638 -7.358 1.00 0.00 H new ATOM 0 HA TYR D 64 -0.981 -7.386 -7.584 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.061 -7.726 -5.344 1.00 0.00 H new ATOM 0 HB3 TYR D 64 -0.032 -6.003 -5.043 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -1.652 -5.682 -3.353 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -2.540 -8.361 -6.547 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -3.933 -5.957 -2.493 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -4.818 -8.640 -5.680 1.00 0.00 H new ATOM 0 HH TYR D 64 -6.285 -8.079 -4.136 1.00 0.00 H new ATOM 975 N THR D 65 -2.426 -5.407 -7.939 1.00 0.00 N ATOM 976 CA THR D 65 -3.285 -4.267 -8.215 1.00 0.00 C ATOM 977 C THR D 65 -4.570 -4.370 -7.396 1.00 0.00 C ATOM 978 O THR D 65 -5.352 -5.307 -7.571 1.00 0.00 O ATOM 979 CB THR D 65 -3.616 -4.200 -9.690 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.437 -4.166 -10.479 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.465 -3.002 -10.079 1.00 0.00 C ATOM 0 H THR D 65 -2.827 -6.307 -8.204 1.00 0.00 H new ATOM 0 HA THR D 65 -2.756 -3.356 -7.934 1.00 0.00 H new ATOM 0 HB THR D 65 -4.194 -5.104 -9.881 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.672 -4.285 -11.423 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.659 -3.026 -11.151 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.411 -3.036 -9.539 1.00 0.00 H new ATOM 0 HG23 THR D 65 -3.935 -2.083 -9.827 1.00 0.00 H new ATOM 989 N PHE D 66 -4.819 -3.383 -6.547 1.00 0.00 N ATOM 990 CA PHE D 66 -6.052 -3.346 -5.768 1.00 0.00 C ATOM 991 C PHE D 66 -6.756 -2.026 -5.967 1.00 0.00 C ATOM 992 O PHE D 66 -6.128 -1.002 -6.212 1.00 0.00 O ATOM 993 CB PHE D 66 -5.792 -3.637 -4.287 1.00 0.00 C ATOM 994 CG PHE D 66 -4.864 -2.690 -3.561 1.00 0.00 C ATOM 995 CD1 PHE D 66 -3.575 -3.086 -3.231 1.00 0.00 C ATOM 996 CD2 PHE D 66 -5.295 -1.437 -3.152 1.00 0.00 C ATOM 997 CE1 PHE D 66 -2.736 -2.251 -2.517 1.00 0.00 C ATOM 998 CE2 PHE D 66 -4.457 -0.596 -2.443 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.175 -1.004 -2.125 1.00 0.00 C ATOM 0 H PHE D 66 -4.188 -2.600 -6.379 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.710 -4.137 -6.129 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.750 -3.639 -3.767 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.383 -4.644 -4.205 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -3.223 -4.060 -3.536 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -6.298 -1.114 -3.390 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -1.737 -2.575 -2.266 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -4.804 0.380 -2.138 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.519 -0.348 -1.571 1.00 0.00 H new ATOM 1009 N ASN D 67 -8.067 -2.062 -5.934 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.848 -0.870 -6.170 1.00 0.00 C ATOM 1011 C ASN D 67 -9.360 -0.340 -4.854 1.00 0.00 C ATOM 1012 O ASN D 67 -9.781 -1.115 -4.006 1.00 0.00 O ATOM 1013 CB ASN D 67 -10.023 -1.169 -7.104 1.00 0.00 C ATOM 1014 CG ASN D 67 -9.573 -1.701 -8.449 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -8.839 -1.036 -9.176 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -10.011 -2.905 -8.788 1.00 0.00 N ATOM 0 H ASN D 67 -8.615 -2.902 -5.746 1.00 0.00 H new ATOM 0 HA ASN D 67 -8.214 -0.122 -6.646 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -10.683 -1.896 -6.631 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -10.605 -0.260 -7.253 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -9.740 -3.313 -9.683 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -10.619 -3.424 -8.154 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.400 0.974 -4.715 1.00 0.00 N ATOM 1024 CA GLU D 68 -9.961 1.592 -3.521 1.00 0.00 C ATOM 1025 C GLU D 68 -11.480 1.519 -3.571 1.00 0.00 C ATOM 1026 O GLU D 68 -12.160 1.656 -2.553 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.495 3.030 -3.415 1.00 0.00 C ATOM 1028 CG GLU D 68 -7.985 3.179 -3.368 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.403 2.878 -2.006 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -7.580 1.744 -1.524 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -6.776 3.785 -1.423 1.00 0.00 O1- ATOM 0 H GLU D 68 -9.052 1.634 -5.411 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.616 1.054 -2.638 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -9.881 3.591 -4.266 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -9.924 3.477 -2.518 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.537 2.512 -4.104 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -7.717 4.196 -3.655 1.00 0.00 H new ATOM 1038 N LYS D 69 -11.978 1.106 -4.735 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.380 0.764 -4.893 1.00 0.00 C ATOM 1040 C LYS D 69 -13.631 -0.487 -4.089 1.00 0.00 C ATOM 1041 O LYS D 69 -14.615 -0.596 -3.354 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.682 0.463 -6.349 1.00 0.00 C ATOM 1043 CG LYS D 69 -13.238 1.563 -7.278 1.00 0.00 C ATOM 1044 CD LYS D 69 -13.592 1.301 -8.743 1.00 0.00 C ATOM 1045 CE LYS D 69 -12.996 0.010 -9.304 1.00 0.00 C ATOM 1046 NZ LYS D 69 -13.664 -1.217 -8.782 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.423 1.001 -5.584 1.00 0.00 H new ATOM 0 HA LYS D 69 -14.007 1.592 -4.561 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -13.189 -0.467 -6.633 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.754 0.304 -6.468 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.696 2.501 -6.963 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -12.159 1.690 -7.190 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -14.677 1.262 -8.843 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -13.246 2.141 -9.346 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -13.073 0.024 -10.391 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -11.934 -0.029 -9.060 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -13.041 -1.685 -8.092 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -14.558 -0.955 -8.320 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -13.859 -1.868 -9.569 1.00 0.00 H new ATOM 1060 N SER D 70 -12.624 -1.352 -4.117 1.00 0.00 N ATOM 1061 CA SER D 70 -12.605 -2.507 -3.269 1.00 0.00 C ATOM 1062 C SER D 70 -12.275 -2.040 -1.869 1.00 0.00 C ATOM 1063 O SER D 70 -11.294 -1.328 -1.669 1.00 0.00 O ATOM 1064 CB SER D 70 -11.577 -3.536 -3.742 1.00 0.00 C ATOM 1065 OG SER D 70 -11.709 -4.753 -3.021 1.00 0.00 O ATOM 0 H SER D 70 -11.811 -1.262 -4.727 1.00 0.00 H new ATOM 0 HA SER D 70 -13.578 -2.997 -3.296 1.00 0.00 H new ATOM 0 HB2 SER D 70 -11.708 -3.724 -4.808 1.00 0.00 H new ATOM 0 HB3 SER D 70 -10.571 -3.138 -3.610 1.00 0.00 H new ATOM 0 HG SER D 70 -11.592 -5.510 -3.633 1.00 0.00 H new ATOM 1071 N THR D 71 -13.126 -2.374 -0.922 1.00 0.00 N ATOM 1072 CA THR D 71 -12.950 -1.925 0.445 1.00 0.00 C ATOM 1073 C THR D 71 -11.537 -2.234 0.926 1.00 0.00 C ATOM 1074 O THR D 71 -11.075 -3.371 0.804 1.00 0.00 O ATOM 1075 CB THR D 71 -13.980 -2.597 1.337 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.846 -4.009 1.321 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.405 -2.272 0.941 1.00 0.00 C ATOM 0 H THR D 71 -13.949 -2.957 -1.073 1.00 0.00 H new ATOM 0 HA THR D 71 -13.094 -0.846 0.491 1.00 0.00 H new ATOM 0 HB THR D 71 -13.784 -2.204 2.335 1.00 0.00 H new ATOM 0 HG1 THR D 71 -14.523 -4.408 1.907 1.00 0.00 H new ATOM 0 HG21 THR D 71 -16.095 -2.781 1.614 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.564 -1.195 1.004 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.584 -2.606 -0.081 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.815 -1.207 1.392 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.436 -1.369 1.794 1.00 0.00 C ATOM 1087 C VAL D 72 -9.310 -2.412 2.899 1.00 0.00 C ATOM 1088 O VAL D 72 -8.241 -2.969 3.127 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.749 -0.047 2.206 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.501 0.125 1.366 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.656 1.169 2.003 1.00 0.00 C ATOM 0 H VAL D 72 -11.175 -0.258 1.495 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.906 -1.721 0.909 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.512 -0.106 3.268 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -7.002 1.054 1.642 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.828 -0.715 1.539 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -7.774 0.160 0.311 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.127 2.072 2.307 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -9.931 1.246 0.951 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.557 1.056 2.606 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.458 -2.790 3.445 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.540 -3.894 4.357 1.00 0.00 C ATOM 1103 C GLY D 73 -10.374 -5.225 3.679 1.00 0.00 C ATOM 1104 O GLY D 73 -9.443 -5.965 3.974 1.00 0.00 O ATOM 0 H GLY D 73 -11.351 -2.333 3.261 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -9.773 -3.784 5.123 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.504 -3.868 4.865 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.292 -5.522 2.766 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.271 -6.778 2.022 1.00 0.00 C ATOM 1110 C ASN D 74 -9.957 -6.918 1.281 1.00 0.00 C ATOM 1111 O ASN D 74 -9.421 -8.016 1.146 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.457 -6.822 1.034 1.00 0.00 C ATOM 1113 CG ASN D 74 -12.543 -8.106 0.219 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -11.632 -8.443 -0.536 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -13.661 -8.817 0.332 1.00 0.00 N ATOM 0 H ASN D 74 -12.066 -4.905 2.521 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.367 -7.610 2.719 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -13.385 -6.696 1.592 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.378 -5.976 0.351 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -13.781 -9.669 -0.216 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -14.398 -8.511 0.967 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.419 -5.789 0.860 1.00 0.00 N ATOM 1123 CA ILE D 75 -8.137 -5.767 0.175 1.00 0.00 C ATOM 1124 C ILE D 75 -6.977 -6.017 1.117 1.00 0.00 C ATOM 1125 O ILE D 75 -6.067 -6.763 0.791 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.942 -4.446 -0.561 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.901 -4.391 -1.758 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.495 -4.257 -0.989 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.687 -5.523 -2.743 1.00 0.00 C ATOM 0 H ILE D 75 -9.850 -4.872 0.980 1.00 0.00 H new ATOM 0 HA ILE D 75 -8.151 -6.581 -0.549 1.00 0.00 H new ATOM 0 HB ILE D 75 -8.174 -3.622 0.114 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -9.928 -4.423 -1.395 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -8.774 -3.439 -2.274 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.391 -3.306 -1.511 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.852 -4.260 -0.109 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.203 -5.069 -1.655 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.395 -5.428 -3.566 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -7.670 -5.479 -3.133 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -8.842 -6.477 -2.240 1.00 0.00 H new ATOM 1141 N SER D 76 -7.011 -5.418 2.287 1.00 0.00 N ATOM 1142 CA SER D 76 -5.944 -5.634 3.255 1.00 0.00 C ATOM 1143 C SER D 76 -6.049 -7.009 3.881 1.00 0.00 C ATOM 1144 O SER D 76 -5.034 -7.618 4.216 1.00 0.00 O ATOM 1145 CB SER D 76 -5.946 -4.543 4.316 1.00 0.00 C ATOM 1146 OG SER D 76 -5.024 -4.823 5.350 1.00 0.00 O ATOM 0 H SER D 76 -7.751 -4.786 2.594 1.00 0.00 H new ATOM 0 HA SER D 76 -4.992 -5.583 2.726 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.698 -3.586 3.856 1.00 0.00 H new ATOM 0 HB3 SER D 76 -6.947 -4.445 4.736 1.00 0.00 H new ATOM 0 HG SER D 76 -5.468 -4.729 6.219 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.235 -7.585 3.812 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.389 -8.988 4.133 1.00 0.00 C ATOM 1154 C ASN D 77 -6.658 -9.807 3.081 1.00 0.00 C ATOM 1155 O ASN D 77 -6.058 -10.828 3.398 1.00 0.00 O ATOM 1156 CB ASN D 77 -8.867 -9.387 4.206 1.00 0.00 C ATOM 1157 CG ASN D 77 -9.600 -8.745 5.375 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -10.808 -8.924 5.537 1.00 0.00 O ATOM 1159 ND2 ASN D 77 -8.877 -8.006 6.207 1.00 0.00 N ATOM 0 H ASN D 77 -8.095 -7.108 3.540 1.00 0.00 H new ATOM 0 HA ASN D 77 -6.961 -9.181 5.116 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.360 -9.104 3.276 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -8.941 -10.471 4.289 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -9.320 -7.564 7.013 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -7.879 -7.880 6.041 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.591 -9.265 1.856 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.791 -9.870 0.790 1.00 0.00 C ATOM 1168 C ASP D 78 -4.309 -9.573 0.954 1.00 0.00 C ATOM 1169 O ASP D 78 -3.469 -10.367 0.545 1.00 0.00 O ATOM 1170 CB ASP D 78 -6.236 -9.404 -0.604 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.621 -9.873 -0.982 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -7.857 -11.097 -0.988 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -8.466 -9.022 -1.311 1.00 0.00 O1- ATOM 0 H ASP D 78 -7.080 -8.413 1.583 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.954 -10.944 0.874 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.207 -8.315 -0.641 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.523 -9.767 -1.345 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.971 -8.404 1.465 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.571 -8.021 1.556 1.00 0.00 C ATOM 1180 C ILE D 79 -1.852 -8.889 2.585 1.00 0.00 C ATOM 1181 O ILE D 79 -0.630 -9.036 2.549 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.403 -6.514 1.895 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.296 -5.686 0.976 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -0.956 -6.088 1.694 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -3.238 -4.196 1.229 1.00 0.00 C ATOM 0 H ILE D 79 -4.632 -7.712 1.818 1.00 0.00 H new ATOM 0 HA ILE D 79 -2.119 -8.183 0.578 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.684 -6.353 2.936 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -3.011 -5.878 -0.058 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -4.326 -6.022 1.090 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.851 -5.030 1.935 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.310 -6.674 2.347 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.669 -6.254 0.656 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -3.902 -3.683 0.533 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -3.553 -3.988 2.252 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.217 -3.842 1.085 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.633 -9.542 3.436 1.00 0.00 N ATOM 1198 CA ASN D 80 -2.101 -10.478 4.405 1.00 0.00 C ATOM 1199 C ASN D 80 -1.642 -11.774 3.736 1.00 0.00 C ATOM 1200 O ASN D 80 -0.595 -12.317 4.090 1.00 0.00 O ATOM 1201 CB ASN D 80 -3.147 -10.769 5.480 1.00 0.00 C ATOM 1202 CG ASN D 80 -3.457 -9.564 6.356 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -4.283 -9.640 7.266 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -2.794 -8.445 6.098 1.00 0.00 N ATOM 0 H ASN D 80 -3.647 -9.435 3.470 1.00 0.00 H new ATOM 0 HA ASN D 80 -1.228 -10.023 4.873 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -4.066 -11.108 5.002 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -2.795 -11.586 6.109 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -2.961 -7.611 6.662 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -2.117 -8.418 5.336 1.00 0.00 H new ATOM 1211 N LYS D 81 -2.376 -12.231 2.717 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.958 -13.413 1.971 1.00 0.00 C ATOM 1213 C LYS D 81 -0.881 -13.079 0.943 1.00 0.00 C ATOM 1214 O LYS D 81 0.181 -13.698 0.948 1.00 0.00 O ATOM 1215 CB LYS D 81 -3.128 -14.147 1.301 1.00 0.00 C ATOM 1216 CG LYS D 81 -4.134 -13.258 0.603 1.00 0.00 C ATOM 1217 CD LYS D 81 -5.246 -12.852 1.550 1.00 0.00 C ATOM 1218 CE LYS D 81 -6.017 -14.052 2.082 1.00 0.00 C ATOM 1219 NZ LYS D 81 -6.666 -14.832 0.995 1.00 0.00 N1+ ATOM 0 H LYS D 81 -3.247 -11.807 2.397 1.00 0.00 H new ATOM 0 HA LYS D 81 -1.535 -14.093 2.710 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -2.725 -14.852 0.574 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -3.649 -14.733 2.058 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -3.635 -12.368 0.219 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -4.555 -13.782 -0.255 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.823 -12.295 2.386 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.933 -12.181 1.034 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -5.339 -14.700 2.636 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -6.777 -13.710 2.785 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -7.300 -15.544 1.410 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -7.215 -14.191 0.388 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -5.937 -15.307 0.426 1.00 0.00 H new ATOM 1233 N LEU D 82 -1.130 -12.074 0.097 1.00 0.00 N ATOM 1234 CA LEU D 82 -0.154 -11.632 -0.895 1.00 0.00 C ATOM 1235 C LEU D 82 1.228 -11.412 -0.282 1.00 0.00 C ATOM 1236 O LEU D 82 2.237 -11.730 -0.909 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.649 -10.370 -1.570 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.688 -10.595 -2.670 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -1.058 -11.275 -3.872 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.880 -11.410 -2.197 1.00 0.00 C ATOM 0 H LEU D 82 -2.006 -11.551 0.083 1.00 0.00 H new ATOM 0 HA LEU D 82 -0.048 -12.422 -1.638 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -1.079 -9.715 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.205 -9.845 -1.998 1.00 0.00 H new ATOM 0 HG LEU D 82 -2.053 -9.607 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -1.814 -11.426 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU D 82 -0.258 -10.649 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU D 82 -0.649 -12.240 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -3.583 -11.537 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -2.540 -12.388 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -3.373 -10.890 -1.375 1.00 0.00 H new ATOM 1252 N ASN D 83 1.232 -11.017 1.000 1.00 0.00 N ATOM 1253 CA ASN D 83 2.452 -10.910 1.816 1.00 0.00 C ATOM 1254 C ASN D 83 3.614 -10.330 1.008 1.00 0.00 C ATOM 1255 O ASN D 83 4.562 -11.043 0.671 1.00 0.00 O ATOM 1256 CB ASN D 83 2.826 -12.298 2.356 1.00 0.00 C ATOM 1257 CG ASN D 83 3.936 -12.279 3.395 1.00 0.00 C ATOM 1258 OD1 ASN D 83 4.418 -13.332 3.810 1.00 0.00 O ATOM 1259 ND2 ASN D 83 4.324 -11.098 3.854 1.00 0.00 N ATOM 0 H ASN D 83 0.383 -10.761 1.504 1.00 0.00 H new ATOM 0 HA ASN D 83 2.254 -10.232 2.646 1.00 0.00 H new ATOM 0 HB2 ASN D 83 1.940 -12.757 2.794 1.00 0.00 H new ATOM 0 HB3 ASN D 83 3.133 -12.930 1.523 1.00 0.00 H new ATOM 0 HD21 ASN D 83 5.044 -11.042 4.574 1.00 0.00 H new ATOM 0 HD22 ASN D 83 3.903 -10.245 3.487 1.00 0.00 H new ATOM 1266 N ILE D 84 3.495 -9.072 0.612 1.00 0.00 N ATOM 1267 CA ILE D 84 4.496 -8.469 -0.254 1.00 0.00 C ATOM 1268 C ILE D 84 5.699 -7.984 0.552 1.00 0.00 C ATOM 1269 O ILE D 84 5.675 -6.904 1.133 1.00 0.00 O ATOM 1270 CB ILE D 84 3.903 -7.300 -1.067 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.638 -7.743 -1.811 1.00 0.00 C ATOM 1272 CG2 ILE D 84 4.926 -6.777 -2.063 1.00 0.00 C ATOM 1273 CD1 ILE D 84 2.882 -8.852 -2.814 1.00 0.00 C ATOM 0 H ILE D 84 2.725 -8.455 0.872 1.00 0.00 H new ATOM 0 HA ILE D 84 4.828 -9.240 -0.949 1.00 0.00 H new ATOM 0 HB ILE D 84 3.640 -6.503 -0.372 1.00 0.00 H new ATOM 0 HG12 ILE D 84 1.898 -8.078 -1.084 1.00 0.00 H new ATOM 0 HG13 ILE D 84 2.211 -6.884 -2.328 1.00 0.00 H new ATOM 0 HG21 ILE D 84 4.494 -5.952 -2.630 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.808 -6.426 -1.528 1.00 0.00 H new ATOM 0 HG23 ILE D 84 5.210 -7.577 -2.746 1.00 0.00 H new ATOM 0 HD11 ILE D 84 1.943 -9.114 -3.302 1.00 0.00 H new ATOM 0 HD12 ILE D 84 3.598 -8.514 -3.563 1.00 0.00 H new ATOM 0 HD13 ILE D 84 3.280 -9.727 -2.300 1.00 0.00 H new ATOM 1285 N LYS D 85 6.748 -8.796 0.592 1.00 0.00 N ATOM 1286 CA LYS D 85 7.946 -8.449 1.348 1.00 0.00 C ATOM 1287 C LYS D 85 9.234 -8.654 0.546 1.00 0.00 C ATOM 1288 O LYS D 85 9.844 -9.719 0.566 1.00 0.00 O ATOM 1289 CB LYS D 85 7.968 -9.205 2.695 1.00 0.00 C ATOM 1290 CG LYS D 85 7.356 -10.620 2.675 1.00 0.00 C ATOM 1291 CD LYS D 85 8.055 -11.619 1.747 1.00 0.00 C ATOM 1292 CE LYS D 85 9.429 -12.051 2.253 1.00 0.00 C ATOM 1293 NZ LYS D 85 9.362 -12.636 3.617 1.00 0.00 N1+ ATOM 0 H LYS D 85 6.794 -9.695 0.113 1.00 0.00 H new ATOM 0 HA LYS D 85 7.904 -7.380 1.559 1.00 0.00 H new ATOM 0 HB2 LYS D 85 9.002 -9.281 3.032 1.00 0.00 H new ATOM 0 HB3 LYS D 85 7.434 -8.608 3.435 1.00 0.00 H new ATOM 0 HG2 LYS D 85 7.370 -11.019 3.689 1.00 0.00 H new ATOM 0 HG3 LYS D 85 6.310 -10.542 2.378 1.00 0.00 H new ATOM 0 HD2 LYS D 85 7.424 -12.500 1.631 1.00 0.00 H new ATOM 0 HD3 LYS D 85 8.163 -11.172 0.759 1.00 0.00 H new ATOM 0 HE2 LYS D 85 9.855 -12.782 1.566 1.00 0.00 H new ATOM 0 HE3 LYS D 85 10.099 -11.192 2.260 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 10.167 -13.278 3.759 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 9.398 -11.874 4.324 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 8.474 -13.166 3.724 1.00 0.00 H new ATOM 1307 N GLY D 86 9.693 -7.581 -0.086 1.00 0.00 N ATOM 1308 CA GLY D 86 10.957 -7.609 -0.803 1.00 0.00 C ATOM 1309 C GLY D 86 10.941 -8.494 -2.034 1.00 0.00 C ATOM 1310 O GLY D 86 10.174 -9.456 -2.119 1.00 0.00 O ATOM 0 H GLY D 86 9.209 -6.684 -0.115 1.00 0.00 H new ATOM 0 HA2 GLY D 86 11.218 -6.593 -1.100 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.740 -7.955 -0.128 1.00 0.00 H new ATOM 1314 N PRO D 87 11.792 -8.191 -3.016 1.00 0.00 N ATOM 1315 CA PRO D 87 12.715 -7.060 -2.957 1.00 0.00 C ATOM 1316 C PRO D 87 12.111 -5.772 -3.537 1.00 0.00 C ATOM 1317 O PRO D 87 10.963 -5.783 -3.968 1.00 0.00 O ATOM 1318 CB PRO D 87 13.860 -7.572 -3.812 1.00 0.00 C ATOM 1319 CG PRO D 87 13.197 -8.364 -4.889 1.00 0.00 C ATOM 1320 CD PRO D 87 11.931 -8.936 -4.280 1.00 0.00 C ATOM 0 HA PRO D 87 12.995 -6.778 -1.942 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.444 -6.750 -4.226 1.00 0.00 H new ATOM 0 HB3 PRO D 87 14.545 -8.189 -3.230 1.00 0.00 H new ATOM 0 HG2 PRO D 87 12.965 -7.734 -5.748 1.00 0.00 H new ATOM 0 HG3 PRO D 87 13.851 -9.160 -5.245 1.00 0.00 H new ATOM 0 HD2 PRO D 87 11.069 -8.787 -4.931 1.00 0.00 H new ATOM 0 HD3 PRO D 87 12.018 -10.009 -4.107 1.00 0.00 H new ATOM 1328 N TYR D 88 12.903 -4.682 -3.499 1.00 0.00 N ATOM 1329 CA TYR D 88 12.527 -3.319 -3.970 1.00 0.00 C ATOM 1330 C TYR D 88 11.035 -3.156 -4.268 1.00 0.00 C ATOM 1331 O TYR D 88 10.575 -3.468 -5.367 1.00 0.00 O ATOM 1332 CB TYR D 88 13.325 -2.929 -5.224 1.00 0.00 C ATOM 1333 CG TYR D 88 14.827 -3.044 -5.063 1.00 0.00 C ATOM 1334 CD1 TYR D 88 15.631 -1.916 -5.005 1.00 0.00 C ATOM 1335 CD2 TYR D 88 15.437 -4.284 -4.992 1.00 0.00 C ATOM 1336 CE1 TYR D 88 17.002 -2.025 -4.871 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.804 -4.405 -4.857 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.583 -3.273 -4.795 1.00 0.00 C ATOM 1339 OH TYR D 88 18.947 -3.389 -4.661 1.00 0.00 O ATOM 0 H TYR D 88 13.853 -4.719 -3.130 1.00 0.00 H new ATOM 0 HA TYR D 88 12.770 -2.656 -3.139 1.00 0.00 H new ATOM 0 HB2 TYR D 88 13.010 -3.562 -6.053 1.00 0.00 H new ATOM 0 HB3 TYR D 88 13.077 -1.903 -5.495 1.00 0.00 H new ATOM 0 HD1 TYR D 88 15.179 -0.937 -5.065 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.830 -5.176 -5.043 1.00 0.00 H new ATOM 0 HE1 TYR D 88 17.615 -1.137 -4.826 1.00 0.00 H new ATOM 0 HE2 TYR D 88 17.260 -5.382 -4.800 1.00 0.00 H new ATOM 0 HH TYR D 88 19.192 -4.337 -4.621 1.00 0.00 H new ATOM 1349 N ILE D 89 10.289 -2.684 -3.281 1.00 0.00 N ATOM 1350 CA ILE D 89 8.846 -2.508 -3.411 1.00 0.00 C ATOM 1351 C ILE D 89 8.465 -1.046 -3.533 1.00 0.00 C ATOM 1352 O ILE D 89 8.882 -0.211 -2.729 1.00 0.00 O ATOM 1353 CB ILE D 89 8.125 -3.114 -2.195 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.415 -4.613 -2.107 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.629 -2.897 -2.301 1.00 0.00 C ATOM 1356 CD1 ILE D 89 7.805 -5.255 -0.887 1.00 0.00 C ATOM 0 H ILE D 89 10.662 -2.413 -2.371 1.00 0.00 H new ATOM 0 HA ILE D 89 8.540 -3.021 -4.323 1.00 0.00 H new ATOM 0 HB ILE D 89 8.493 -2.618 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE D 89 8.032 -5.106 -3.001 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.494 -4.770 -2.094 1.00 0.00 H new ATOM 0 HG21 ILE D 89 6.136 -3.332 -1.432 1.00 0.00 H new ATOM 0 HG22 ILE D 89 6.418 -1.828 -2.340 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.255 -3.374 -3.207 1.00 0.00 H new ATOM 0 HD11 ILE D 89 8.044 -6.319 -0.878 1.00 0.00 H new ATOM 0 HD12 ILE D 89 8.207 -4.785 0.011 1.00 0.00 H new ATOM 0 HD13 ILE D 89 6.723 -5.126 -0.911 1.00 0.00 H new ATOM 1368 N GLU D 90 7.565 -0.775 -4.464 1.00 0.00 N ATOM 1369 CA GLU D 90 6.996 0.552 -4.610 1.00 0.00 C ATOM 1370 C GLU D 90 5.480 0.490 -4.458 1.00 0.00 C ATOM 1371 O GLU D 90 4.756 0.154 -5.391 1.00 0.00 O ATOM 1372 CB GLU D 90 7.381 1.173 -5.957 1.00 0.00 C ATOM 1373 CG GLU D 90 6.881 2.602 -6.144 1.00 0.00 C ATOM 1374 CD GLU D 90 7.431 3.566 -5.113 1.00 0.00 C ATOM 1375 OE1 GLU D 90 7.164 3.378 -3.910 1.00 0.00 O ATOM 1376 OE2 GLU D 90 8.138 4.515 -5.507 1.00 0.00 O1- ATOM 0 H GLU D 90 7.212 -1.461 -5.132 1.00 0.00 H new ATOM 0 HA GLU D 90 7.402 1.189 -3.824 1.00 0.00 H new ATOM 0 HB2 GLU D 90 8.467 1.163 -6.054 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.984 0.551 -6.759 1.00 0.00 H new ATOM 0 HG2 GLU D 90 7.156 2.949 -7.140 1.00 0.00 H new ATOM 0 HG3 GLU D 90 5.792 2.609 -6.094 1.00 0.00 H new ATOM 1383 N ILE D 91 5.022 0.789 -3.264 1.00 0.00 N ATOM 1384 CA ILE D 91 3.613 0.762 -2.929 1.00 0.00 C ATOM 1385 C ILE D 91 3.024 2.172 -3.080 1.00 0.00 C ATOM 1386 O ILE D 91 3.199 3.021 -2.200 1.00 0.00 O ATOM 1387 CB ILE D 91 3.441 0.237 -1.474 1.00 0.00 C ATOM 1388 CG1 ILE D 91 3.988 -1.179 -1.348 1.00 0.00 C ATOM 1389 CG2 ILE D 91 2.004 0.258 -0.998 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.733 -1.805 0.007 1.00 0.00 C ATOM 0 H ILE D 91 5.624 1.062 -2.487 1.00 0.00 H new ATOM 0 HA ILE D 91 3.079 0.093 -3.604 1.00 0.00 H new ATOM 0 HB ILE D 91 4.007 0.919 -0.840 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.538 -1.804 -2.119 1.00 0.00 H new ATOM 0 HG13 ILE D 91 5.061 -1.164 -1.537 1.00 0.00 H new ATOM 0 HG21 ILE D 91 1.953 -0.120 0.023 1.00 0.00 H new ATOM 0 HG22 ILE D 91 1.627 1.280 -1.025 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.396 -0.371 -1.648 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.149 -2.812 0.026 1.00 0.00 H new ATOM 0 HD12 ILE D 91 4.207 -1.202 0.781 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.659 -1.852 0.190 1.00 0.00 H new ATOM 1402 N LYS D 92 2.300 2.413 -4.185 1.00 0.00 N ATOM 1403 CA LYS D 92 1.661 3.713 -4.409 1.00 0.00 C ATOM 1404 C LYS D 92 0.543 3.580 -5.440 1.00 0.00 C ATOM 1405 O LYS D 92 0.482 2.587 -6.172 1.00 0.00 O ATOM 1406 CB LYS D 92 2.681 4.777 -4.862 1.00 0.00 C ATOM 1407 CG LYS D 92 2.766 5.007 -6.370 1.00 0.00 C ATOM 1408 CD LYS D 92 3.240 3.799 -7.164 1.00 0.00 C ATOM 1409 CE LYS D 92 3.167 4.109 -8.656 1.00 0.00 C ATOM 1410 NZ LYS D 92 4.053 3.250 -9.480 1.00 0.00 N1+ ATOM 0 H LYS D 92 2.145 1.731 -4.928 1.00 0.00 H new ATOM 0 HA LYS D 92 1.237 4.043 -3.461 1.00 0.00 H new ATOM 0 HB2 LYS D 92 2.431 5.723 -4.381 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.667 4.487 -4.500 1.00 0.00 H new ATOM 0 HG2 LYS D 92 1.783 5.304 -6.736 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.442 5.840 -6.561 1.00 0.00 H new ATOM 0 HD2 LYS D 92 4.262 3.545 -6.884 1.00 0.00 H new ATOM 0 HD3 LYS D 92 2.621 2.932 -6.931 1.00 0.00 H new ATOM 0 HE2 LYS D 92 2.138 3.988 -8.995 1.00 0.00 H new ATOM 0 HE3 LYS D 92 3.434 5.153 -8.816 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 3.956 3.511 -10.482 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 5.040 3.382 -9.182 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 3.784 2.253 -9.355 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.316 4.592 -5.534 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.381 4.564 -6.524 1.00 0.00 C ATOM 1426 C GLN D 93 -0.869 4.968 -7.892 1.00 0.00 C ATOM 1427 O GLN D 93 0.284 5.365 -8.049 1.00 0.00 O ATOM 1428 CB GLN D 93 -2.553 5.442 -6.136 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.161 6.880 -5.907 1.00 0.00 C ATOM 1430 CD GLN D 93 -3.309 7.727 -5.401 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -3.877 7.454 -4.345 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -3.655 8.763 -6.150 1.00 0.00 N ATOM 0 H GLN D 93 -0.295 5.426 -4.947 1.00 0.00 H new ATOM 0 HA GLN D 93 -1.734 3.534 -6.565 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.309 5.398 -6.920 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.011 5.047 -5.229 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -1.342 6.919 -5.188 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -1.787 7.303 -6.839 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -3.156 8.953 -7.019 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -4.420 9.371 -5.857 1.00 0.00 H new ATOM 1441 N ILE D 94 -1.673 4.690 -8.892 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.252 4.822 -10.269 1.00 0.00 C ATOM 1443 C ILE D 94 -2.360 5.405 -11.135 1.00 0.00 C ATOM 1444 O ILE D 94 -2.106 5.662 -12.326 1.00 0.00 O ATOM 1445 CB ILE D 94 -0.870 3.443 -10.794 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.038 2.505 -10.559 1.00 0.00 C ATOM 1447 CG2 ILE D 94 0.382 2.922 -10.118 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -1.745 1.061 -10.847 1.00 0.00 C ATOM 1449 OXT ILE D 94 -3.478 5.593 -10.618 1.00 0.00 O ATOM 0 H ILE D 94 -2.634 4.367 -8.776 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.401 5.501 -10.312 1.00 0.00 H new ATOM 0 HB ILE D 94 -0.651 3.508 -11.860 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.359 2.598 -9.521 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -2.874 2.824 -11.181 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.627 1.937 -10.515 1.00 0.00 H new ATOM 0 HG22 ILE D 94 1.209 3.606 -10.308 1.00 0.00 H new ATOM 0 HG23 ILE D 94 0.212 2.848 -9.044 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -2.635 0.463 -10.652 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -1.455 0.950 -11.892 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -0.932 0.720 -10.207 1.00 0.00 H new TER 1461 ILE D 94