USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=31 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 2 ASN : amide:sc= 1.35 K(o=2.6,f=-3.8!) USER MOD Set 1.2: D 88 TYR OH : rot -85:sc= 1.26 USER MOD Set 2.1: D 37 LYS NZ :NH3+ 147:sc= -3.32! (180deg=-5.41!) USER MOD Set 2.2: D 80 ASN : amide:sc= 0.528 K(o=-2.8,f=-5.7) USER MOD Single : D 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 3 GLN : amide:sc= -0.813 K(o=-0.81,f=-3.2!) USER MOD Single : D 4 LYS NZ :NH3+ -167:sc= -0.0197 (180deg=-0.233) USER MOD Single : D 9 GLN :FLIP amide:sc= -0.113 F(o=-1.9!,f=-0.11) USER MOD Single : D 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 12 SER OG : rot 180:sc= 0 USER MOD Single : D 14 ASN : amide:sc= 1.04 K(o=1,f=-0.23) USER MOD Single : D 15 SER OG : rot -33:sc= 1.07 USER MOD Single : D 17 ASN :FLIP amide:sc= -5.96! C(o=-7.9!,f=-6!) USER MOD Single : D 19 LYS NZ :NH3+ -160:sc= -0.142 (180deg=-0.507) USER MOD Single : D 21 ASN : amide:sc= -5.59! C(o=-5.6!,f=-6.8!) USER MOD Single : D 22 LYS NZ :NH3+ 158:sc= 1.25 (180deg=1.03) USER MOD Single : D 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 28 SER OG : rot 180:sc= 0 USER MOD Single : D 30 SER OG : rot 39:sc= 0.189 USER MOD Single : D 31 MET CE :methyl 168:sc= -0.209 (180deg=-0.46) USER MOD Single : D 32 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.5!) USER MOD Single : D 34 ASN :FLIP amide:sc= -0.0118 F(o=-2.6!,f=-0.012) USER MOD Single : D 35 GLN :FLIP amide:sc= -2.26! C(o=-4.2!,f=-2.3!) USER MOD Single : D 39 THR OG1 : rot 180:sc= -3.68! USER MOD Single : D 40 SER OG : rot 61:sc= 1.28 USER MOD Single : D 41 SER OG : rot 180:sc= 0 USER MOD Single : D 42 ASN : amide:sc= -12.7! C(o=-13!,f=-16!) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot -121:sc= 0.469 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ 145:sc= -0.135 (180deg=-0.567) USER MOD Single : D 53 ASN :FLIP amide:sc= -0.0606 F(o=-2.6!,f=-0.061) USER MOD Single : D 59 ASN : amide:sc= -2.3! C(o=-2.3!,f=-7.3!) USER MOD Single : D 62 LYS NZ :NH3+ 180:sc=-0.00389 (180deg=-0.00389) USER MOD Single : D 64 TYR OH : rot 30:sc= -0.161 USER MOD Single : D 65 THR OG1 : rot 180:sc= 0 USER MOD Single : D 67 ASN : amide:sc= -3.73! C(o=-3.7!,f=-3.7!) 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 27:sc= 0.395 USER MOD Single : D 74 ASN : amide:sc= -0.184 K(o=-0.18,f=-1.5!) USER MOD Single : D 76 SER OG : rot -93:sc= -0.242 USER MOD Single : D 77 ASN :FLIP amide:sc= -0.699 F(o=-4.1!,f=-0.7) USER MOD Single : D 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 83 ASN :FLIP amide:sc= -0.311 F(o=-4.6!,f=-0.31) USER MOD Single : D 85 LYS NZ :NH3+ -162:sc= -0.0675 (180deg=-0.383) USER MOD Single : D 92 LYS NZ :NH3+ 169:sc= -0.0267 (180deg=-0.276) USER MOD Single : D 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP D 1 21.142 1.538 -8.396 1.00 0.00 N ATOM 2 CA ASP D 1 21.631 1.219 -7.033 1.00 0.00 C ATOM 3 C ASP D 1 20.562 1.526 -5.994 1.00 0.00 C ATOM 4 O ASP D 1 20.280 2.690 -5.713 1.00 0.00 O ATOM 5 CB ASP D 1 22.885 2.048 -6.747 1.00 0.00 C ATOM 6 CG ASP D 1 23.456 1.761 -5.382 1.00 0.00 C ATOM 7 OD1 ASP D 1 23.832 0.601 -5.129 1.00 0.00 O ATOM 8 OD2 ASP D 1 23.525 2.694 -4.559 1.00 0.00 O1- ATOM 0 H1 ASP D 1 21.885 1.322 -9.091 1.00 0.00 H new ATOM 0 H2 ASP D 1 20.297 0.968 -8.604 1.00 0.00 H new ATOM 0 H3 ASP D 1 20.900 2.548 -8.451 1.00 0.00 H new ATOM 0 HA ASP D 1 21.867 0.156 -6.978 1.00 0.00 H new ATOM 0 HB2 ASP D 1 23.639 1.838 -7.506 1.00 0.00 H new ATOM 0 HB3 ASP D 1 22.643 3.108 -6.823 1.00 0.00 H new ATOM 13 N ASN D 2 19.947 0.486 -5.442 1.00 0.00 N ATOM 14 CA ASN D 2 18.878 0.666 -4.460 1.00 0.00 C ATOM 15 C ASN D 2 19.420 0.676 -3.031 1.00 0.00 C ATOM 16 O ASN D 2 18.712 0.312 -2.091 1.00 0.00 O ATOM 17 CB ASN D 2 17.821 -0.433 -4.603 1.00 0.00 C ATOM 18 CG ASN D 2 18.380 -1.820 -4.355 1.00 0.00 C ATOM 19 OD1 ASN D 2 19.282 -2.274 -5.059 1.00 0.00 O ATOM 20 ND2 ASN D 2 17.851 -2.502 -3.350 1.00 0.00 N ATOM 0 H ASN D 2 20.167 -0.487 -5.655 1.00 0.00 H new ATOM 0 HA ASN D 2 18.419 1.635 -4.658 1.00 0.00 H new ATOM 0 HB2 ASN D 2 17.008 -0.243 -3.902 1.00 0.00 H new ATOM 0 HB3 ASN D 2 17.394 -0.392 -5.605 1.00 0.00 H new ATOM 0 HD21 ASN D 2 18.190 -3.440 -3.136 1.00 0.00 H new ATOM 0 HD22 ASN D 2 17.105 -2.089 -2.791 1.00 0.00 H new ATOM 27 N GLN D 3 20.656 1.127 -2.862 1.00 0.00 N ATOM 28 CA GLN D 3 21.254 1.215 -1.533 1.00 0.00 C ATOM 29 C GLN D 3 20.859 2.517 -0.844 1.00 0.00 C ATOM 30 O GLN D 3 20.389 2.506 0.293 1.00 0.00 O ATOM 31 CB GLN D 3 22.778 1.108 -1.616 1.00 0.00 C ATOM 32 CG GLN D 3 23.285 -0.222 -2.159 1.00 0.00 C ATOM 33 CD GLN D 3 22.942 -1.400 -1.267 1.00 0.00 C ATOM 34 OE1 GLN D 3 21.770 -1.701 -1.033 1.00 0.00 O ATOM 35 NE2 GLN D 3 23.965 -2.072 -0.762 1.00 0.00 N ATOM 0 H GLN D 3 21.262 1.436 -3.622 1.00 0.00 H new ATOM 0 HA GLN D 3 20.876 0.381 -0.942 1.00 0.00 H new ATOM 0 HB2 GLN D 3 23.153 1.912 -2.249 1.00 0.00 H new ATOM 0 HB3 GLN D 3 23.196 1.264 -0.622 1.00 0.00 H new ATOM 0 HG2 GLN D 3 22.861 -0.388 -3.149 1.00 0.00 H new ATOM 0 HG3 GLN D 3 24.367 -0.169 -2.280 1.00 0.00 H new ATOM 0 HE21 GLN D 3 24.920 -1.788 -0.982 1.00 0.00 H new ATOM 0 HE22 GLN D 3 23.798 -2.873 -0.153 1.00 0.00 H new ATOM 44 N LYS D 4 20.969 3.626 -1.565 1.00 0.00 N ATOM 45 CA LYS D 4 20.537 4.917 -1.051 1.00 0.00 C ATOM 46 C LYS D 4 19.314 5.389 -1.812 1.00 0.00 C ATOM 47 O LYS D 4 18.858 6.515 -1.644 1.00 0.00 O ATOM 48 CB LYS D 4 21.662 5.951 -1.163 1.00 0.00 C ATOM 49 CG LYS D 4 22.873 5.635 -0.299 1.00 0.00 C ATOM 50 CD LYS D 4 22.518 5.651 1.181 1.00 0.00 C ATOM 51 CE LYS D 4 23.723 5.324 2.050 1.00 0.00 C ATOM 52 NZ LYS D 4 24.256 3.965 1.768 1.00 0.00 N1+ ATOM 0 H LYS D 4 21.355 3.656 -2.509 1.00 0.00 H new ATOM 0 HA LYS D 4 20.282 4.805 0.003 1.00 0.00 H new ATOM 0 HB2 LYS D 4 21.978 6.020 -2.204 1.00 0.00 H new ATOM 0 HB3 LYS D 4 21.273 6.930 -0.883 1.00 0.00 H new ATOM 0 HG2 LYS D 4 23.269 4.656 -0.569 1.00 0.00 H new ATOM 0 HG3 LYS D 4 23.661 6.363 -0.494 1.00 0.00 H new ATOM 0 HD2 LYS D 4 22.129 6.633 1.452 1.00 0.00 H new ATOM 0 HD3 LYS D 4 21.724 4.930 1.373 1.00 0.00 H new ATOM 0 HE2 LYS D 4 24.505 6.064 1.879 1.00 0.00 H new ATOM 0 HE3 LYS D 4 23.442 5.393 3.101 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 24.925 3.692 2.516 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 23.471 3.283 1.739 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 24.746 3.968 0.851 1.00 0.00 H new ATOM 66 N ALA D 5 18.807 4.524 -2.682 1.00 0.00 N ATOM 67 CA ALA D 5 17.658 4.863 -3.503 1.00 0.00 C ATOM 68 C ALA D 5 16.355 4.629 -2.752 1.00 0.00 C ATOM 69 O ALA D 5 15.270 4.810 -3.301 1.00 0.00 O ATOM 70 CB ALA D 5 17.669 4.063 -4.794 1.00 0.00 C ATOM 0 H ALA D 5 19.175 3.585 -2.835 1.00 0.00 H new ATOM 0 HA ALA D 5 17.725 5.924 -3.745 1.00 0.00 H new ATOM 0 HB1 ALA D 5 16.800 4.331 -5.396 1.00 0.00 H new ATOM 0 HB2 ALA D 5 18.579 4.285 -5.352 1.00 0.00 H new ATOM 0 HB3 ALA D 5 17.636 2.998 -4.563 1.00 0.00 H new ATOM 76 N LEU D 6 16.472 4.219 -1.497 1.00 0.00 N ATOM 77 CA LEU D 6 15.306 3.957 -0.668 1.00 0.00 C ATOM 78 C LEU D 6 15.192 5.004 0.433 1.00 0.00 C ATOM 79 O LEU D 6 14.524 4.784 1.438 1.00 0.00 O ATOM 80 CB LEU D 6 15.397 2.558 -0.048 1.00 0.00 C ATOM 81 CG LEU D 6 15.521 1.404 -1.046 1.00 0.00 C ATOM 82 CD1 LEU D 6 15.608 0.075 -0.316 1.00 0.00 C ATOM 83 CD2 LEU D 6 14.349 1.397 -2.015 1.00 0.00 C ATOM 0 H LEU D 6 17.365 4.061 -1.030 1.00 0.00 H new ATOM 0 HA LEU D 6 14.418 4.008 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU D 6 16.257 2.531 0.621 1.00 0.00 H new ATOM 0 HB3 LEU D 6 14.511 2.392 0.565 1.00 0.00 H new ATOM 0 HG LEU D 6 16.438 1.549 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU D 6 15.696 -0.734 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU D 6 16.482 0.074 0.335 1.00 0.00 H new ATOM 0 HD13 LEU D 6 14.709 -0.071 0.283 1.00 0.00 H new ATOM 0 HD21 LEU D 6 14.460 0.568 -2.714 1.00 0.00 H new ATOM 0 HD22 LEU D 6 13.418 1.281 -1.460 1.00 0.00 H new ATOM 0 HD23 LEU D 6 14.328 2.337 -2.567 1.00 0.00 H new ATOM 95 N GLU D 7 15.912 6.111 0.268 1.00 0.00 N ATOM 96 CA GLU D 7 15.981 7.170 1.280 1.00 0.00 C ATOM 97 C GLU D 7 14.641 7.875 1.521 1.00 0.00 C ATOM 98 O GLU D 7 14.567 8.799 2.335 1.00 0.00 O ATOM 99 CB GLU D 7 17.045 8.201 0.899 1.00 0.00 C ATOM 100 CG GLU D 7 16.829 8.834 -0.467 1.00 0.00 C ATOM 101 CD GLU D 7 17.865 9.885 -0.782 1.00 0.00 C ATOM 102 OE1 GLU D 7 19.063 9.556 -0.788 1.00 0.00 O ATOM 103 OE2 GLU D 7 17.477 11.043 -1.028 1.00 0.00 O1- ATOM 0 H GLU D 7 16.464 6.302 -0.568 1.00 0.00 H new ATOM 0 HA GLU D 7 16.251 6.678 2.215 1.00 0.00 H new ATOM 0 HB2 GLU D 7 17.062 8.987 1.654 1.00 0.00 H new ATOM 0 HB3 GLU D 7 18.024 7.722 0.916 1.00 0.00 H new ATOM 0 HG2 GLU D 7 16.857 8.059 -1.233 1.00 0.00 H new ATOM 0 HG3 GLU D 7 15.836 9.283 -0.504 1.00 0.00 H new ATOM 110 N GLU D 8 13.586 7.445 0.841 1.00 0.00 N ATOM 111 CA GLU D 8 12.271 8.056 1.027 1.00 0.00 C ATOM 112 C GLU D 8 11.508 7.343 2.132 1.00 0.00 C ATOM 113 O GLU D 8 10.374 7.696 2.442 1.00 0.00 O ATOM 114 CB GLU D 8 11.442 8.077 -0.272 1.00 0.00 C ATOM 115 CG GLU D 8 11.071 6.716 -0.858 1.00 0.00 C ATOM 116 CD GLU D 8 12.249 5.924 -1.371 1.00 0.00 C ATOM 117 OE1 GLU D 8 12.988 6.447 -2.226 1.00 0.00 O ATOM 118 OE2 GLU D 8 12.413 4.768 -0.949 1.00 0.00 O1- ATOM 0 H GLU D 8 13.611 6.684 0.162 1.00 0.00 H new ATOM 0 HA GLU D 8 12.438 9.094 1.316 1.00 0.00 H new ATOM 0 HB2 GLU D 8 10.522 8.630 -0.082 1.00 0.00 H new ATOM 0 HB3 GLU D 8 12.000 8.634 -1.025 1.00 0.00 H new ATOM 0 HG2 GLU D 8 10.559 6.131 -0.094 1.00 0.00 H new ATOM 0 HG3 GLU D 8 10.364 6.864 -1.674 1.00 0.00 H new ATOM 125 N GLN D 9 12.175 6.350 2.719 1.00 0.00 N ATOM 126 CA GLN D 9 11.668 5.511 3.824 1.00 0.00 C ATOM 127 C GLN D 9 11.233 6.297 5.073 1.00 0.00 C ATOM 128 O GLN D 9 11.011 5.712 6.132 1.00 0.00 O ATOM 129 CB GLN D 9 12.776 4.536 4.193 1.00 0.00 C ATOM 130 CG GLN D 9 14.089 5.250 4.468 1.00 0.00 C ATOM 131 CD GLN D 9 15.267 4.314 4.550 1.00 0.00 C ATOM 132 OE1 GLN D 9 16.139 4.405 3.559 1.00 0.00 O flip ATOM 133 NE2 GLN D 9 15.365 3.490 5.459 1.00 0.00 N flip ATOM 0 H GLN D 9 13.119 6.092 2.433 1.00 0.00 H new ATOM 0 HA GLN D 9 10.766 5.010 3.474 1.00 0.00 H new ATOM 0 HB2 GLN D 9 12.480 3.967 5.074 1.00 0.00 H new ATOM 0 HB3 GLN D 9 12.915 3.820 3.383 1.00 0.00 H new ATOM 0 HG2 GLN D 9 14.269 5.982 3.681 1.00 0.00 H new ATOM 0 HG3 GLN D 9 14.006 5.802 5.404 1.00 0.00 H new ATOM 0 HE21 GLN D 9 14.664 3.462 6.200 1.00 0.00 H new ATOM 0 HE22 GLN D 9 16.147 2.835 5.471 1.00 0.00 H new ATOM 142 N MET D 10 11.070 7.597 4.933 1.00 0.00 N ATOM 143 CA MET D 10 10.616 8.442 6.028 1.00 0.00 C ATOM 144 C MET D 10 9.108 8.625 5.969 1.00 0.00 C ATOM 145 O MET D 10 8.402 8.320 6.923 1.00 0.00 O ATOM 146 CB MET D 10 11.311 9.807 5.984 1.00 0.00 C ATOM 147 CG MET D 10 10.850 10.758 7.075 1.00 0.00 C ATOM 148 SD MET D 10 11.097 10.083 8.728 1.00 0.00 S ATOM 149 CE MET D 10 10.420 11.398 9.736 1.00 0.00 C ATOM 0 H MET D 10 11.246 8.099 4.063 1.00 0.00 H new ATOM 0 HA MET D 10 10.875 7.950 6.965 1.00 0.00 H new ATOM 0 HB2 MET D 10 12.388 9.661 6.072 1.00 0.00 H new ATOM 0 HB3 MET D 10 11.130 10.267 5.012 1.00 0.00 H new ATOM 0 HG2 MET D 10 11.393 11.699 6.985 1.00 0.00 H new ATOM 0 HG3 MET D 10 9.793 10.985 6.933 1.00 0.00 H new ATOM 0 HE1 MET D 10 10.501 11.128 10.789 1.00 0.00 H new ATOM 0 HE2 MET D 10 10.975 12.318 9.554 1.00 0.00 H new ATOM 0 HE3 MET D 10 9.371 11.550 9.480 1.00 0.00 H new ATOM 159 N ASN D 11 8.601 8.998 4.805 1.00 0.00 N ATOM 160 CA ASN D 11 7.158 9.056 4.613 1.00 0.00 C ATOM 161 C ASN D 11 6.749 7.860 3.807 1.00 0.00 C ATOM 162 O ASN D 11 5.581 7.648 3.547 1.00 0.00 O ATOM 163 CB ASN D 11 6.714 10.295 3.852 1.00 0.00 C ATOM 164 CG ASN D 11 7.458 11.545 4.273 1.00 0.00 C ATOM 165 OD1 ASN D 11 7.399 11.951 5.431 1.00 0.00 O ATOM 166 ND2 ASN D 11 8.172 12.156 3.339 1.00 0.00 N ATOM 0 H ASN D 11 9.155 9.261 3.990 1.00 0.00 H new ATOM 0 HA ASN D 11 6.695 9.081 5.599 1.00 0.00 H new ATOM 0 HB2 ASN D 11 6.863 10.132 2.785 1.00 0.00 H new ATOM 0 HB3 ASN D 11 5.645 10.446 4.005 1.00 0.00 H new ATOM 0 HD21 ASN D 11 8.700 12.997 3.570 1.00 0.00 H new ATOM 0 HD22 ASN D 11 8.193 11.785 2.389 1.00 0.00 H new ATOM 173 N SER D 12 7.746 7.204 3.257 1.00 0.00 N ATOM 174 CA SER D 12 7.544 6.143 2.296 1.00 0.00 C ATOM 175 C SER D 12 6.374 5.248 2.675 1.00 0.00 C ATOM 176 O SER D 12 5.368 5.183 1.974 1.00 0.00 O ATOM 177 CB SER D 12 8.825 5.323 2.218 1.00 0.00 C ATOM 178 OG SER D 12 8.667 4.157 1.426 1.00 0.00 O ATOM 0 H SER D 12 8.726 7.393 3.465 1.00 0.00 H new ATOM 0 HA SER D 12 7.307 6.584 1.328 1.00 0.00 H new ATOM 0 HB2 SER D 12 9.623 5.938 1.802 1.00 0.00 H new ATOM 0 HB3 SER D 12 9.134 5.038 3.224 1.00 0.00 H new ATOM 0 HG SER D 12 9.512 3.661 1.401 1.00 0.00 H new ATOM 184 N ILE D 13 6.538 4.551 3.779 1.00 0.00 N ATOM 185 CA ILE D 13 5.541 3.626 4.282 1.00 0.00 C ATOM 186 C ILE D 13 4.605 4.323 5.271 1.00 0.00 C ATOM 187 O ILE D 13 3.563 3.798 5.659 1.00 0.00 O ATOM 188 CB ILE D 13 6.276 2.460 4.941 1.00 0.00 C ATOM 189 CG1 ILE D 13 7.226 1.850 3.926 1.00 0.00 C ATOM 190 CG2 ILE D 13 5.319 1.411 5.492 1.00 0.00 C ATOM 191 CD1 ILE D 13 6.529 1.222 2.736 1.00 0.00 C ATOM 0 H ILE D 13 7.375 4.610 4.359 1.00 0.00 H new ATOM 0 HA ILE D 13 4.919 3.257 3.466 1.00 0.00 H new ATOM 0 HB ILE D 13 6.836 2.839 5.796 1.00 0.00 H new ATOM 0 HG12 ILE D 13 7.907 2.623 3.570 1.00 0.00 H new ATOM 0 HG13 ILE D 13 7.834 1.092 4.421 1.00 0.00 H new ATOM 0 HG21 ILE D 13 5.889 0.603 5.950 1.00 0.00 H new ATOM 0 HG22 ILE D 13 4.671 1.867 6.240 1.00 0.00 H new ATOM 0 HG23 ILE D 13 4.711 1.011 4.680 1.00 0.00 H new ATOM 0 HD11 ILE D 13 7.273 0.808 2.055 1.00 0.00 H new ATOM 0 HD12 ILE D 13 5.869 0.426 3.080 1.00 0.00 H new ATOM 0 HD13 ILE D 13 5.943 1.980 2.216 1.00 0.00 H new ATOM 203 N ASN D 14 4.970 5.532 5.642 1.00 0.00 N ATOM 204 CA ASN D 14 4.138 6.330 6.549 1.00 0.00 C ATOM 205 C ASN D 14 3.098 7.161 5.792 1.00 0.00 C ATOM 206 O ASN D 14 1.892 6.933 5.930 1.00 0.00 O ATOM 207 CB ASN D 14 4.998 7.224 7.444 1.00 0.00 C ATOM 208 CG ASN D 14 5.799 6.424 8.454 1.00 0.00 C ATOM 209 OD1 ASN D 14 5.236 5.716 9.288 1.00 0.00 O ATOM 210 ND2 ASN D 14 7.115 6.528 8.394 1.00 0.00 N ATOM 0 H ASN D 14 5.829 5.991 5.338 1.00 0.00 H new ATOM 0 HA ASN D 14 3.596 5.629 7.184 1.00 0.00 H new ATOM 0 HB2 ASN D 14 5.678 7.808 6.824 1.00 0.00 H new ATOM 0 HB3 ASN D 14 4.358 7.932 7.970 1.00 0.00 H new ATOM 0 HD21 ASN D 14 7.698 6.012 9.053 1.00 0.00 H new ATOM 0 HD22 ASN D 14 7.548 7.125 7.689 1.00 0.00 H new ATOM 217 N SER D 15 3.550 8.077 4.937 1.00 0.00 N ATOM 218 CA SER D 15 2.627 8.858 4.126 1.00 0.00 C ATOM 219 C SER D 15 1.900 7.958 3.134 1.00 0.00 C ATOM 220 O SER D 15 0.846 8.312 2.638 1.00 0.00 O ATOM 221 CB SER D 15 3.309 10.004 3.374 1.00 0.00 C ATOM 222 OG SER D 15 4.186 9.527 2.366 1.00 0.00 O ATOM 0 H SER D 15 4.536 8.292 4.791 1.00 0.00 H new ATOM 0 HA SER D 15 1.914 9.306 4.818 1.00 0.00 H new ATOM 0 HB2 SER D 15 2.551 10.644 2.923 1.00 0.00 H new ATOM 0 HB3 SER D 15 3.867 10.620 4.079 1.00 0.00 H new ATOM 0 HG SER D 15 4.586 8.680 2.655 1.00 0.00 H new ATOM 228 N VAL D 16 2.432 6.756 2.905 1.00 0.00 N ATOM 229 CA VAL D 16 1.780 5.780 2.032 1.00 0.00 C ATOM 230 C VAL D 16 0.376 5.485 2.565 1.00 0.00 C ATOM 231 O VAL D 16 -0.519 5.079 1.831 1.00 0.00 O ATOM 232 CB VAL D 16 2.588 4.452 1.966 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.231 3.509 3.098 1.00 0.00 C ATOM 234 CG2 VAL D 16 2.439 3.741 0.643 1.00 0.00 C ATOM 0 H VAL D 16 3.311 6.436 3.311 1.00 0.00 H new ATOM 0 HA VAL D 16 1.727 6.202 1.028 1.00 0.00 H new ATOM 0 HB VAL D 16 3.632 4.745 2.073 1.00 0.00 H new ATOM 0 HG11 VAL D 16 2.820 2.596 3.010 1.00 0.00 H new ATOM 0 HG12 VAL D 16 2.446 3.989 4.053 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.170 3.263 3.046 1.00 0.00 H new ATOM 0 HG21 VAL D 16 3.025 2.822 0.656 1.00 0.00 H new ATOM 0 HG22 VAL D 16 1.389 3.500 0.476 1.00 0.00 H new ATOM 0 HG23 VAL D 16 2.795 4.387 -0.159 1.00 0.00 H new ATOM 244 N ASN D 17 0.208 5.733 3.860 1.00 0.00 N ATOM 245 CA ASN D 17 -1.057 5.527 4.545 1.00 0.00 C ATOM 246 C ASN D 17 -1.900 6.774 4.470 1.00 0.00 C ATOM 247 O ASN D 17 -3.109 6.698 4.442 1.00 0.00 O ATOM 248 CB ASN D 17 -0.833 5.128 6.008 1.00 0.00 C ATOM 249 CG ASN D 17 -0.202 3.756 6.162 1.00 0.00 C ATOM 250 OD1 ASN D 17 -0.034 3.046 5.058 1.00 0.00 O flip ATOM 251 ND2 ASN D 17 0.101 3.323 7.272 1.00 0.00 N flip ATOM 0 H ASN D 17 0.951 6.084 4.464 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.583 4.712 4.047 1.00 0.00 H new ATOM 0 HB2 ASN D 17 -0.195 5.870 6.487 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.788 5.143 6.533 1.00 0.00 H new ATOM 0 HD21 ASN D 17 -0.043 3.900 8.101 1.00 0.00 H new ATOM 0 HD22 ASN D 17 0.496 2.387 7.364 1.00 0.00 H new ATOM 258 N ASP D 18 -1.250 7.915 4.339 1.00 0.00 N ATOM 259 CA ASP D 18 -1.954 9.184 4.144 1.00 0.00 C ATOM 260 C ASP D 18 -2.772 9.183 2.850 1.00 0.00 C ATOM 261 O ASP D 18 -3.707 9.967 2.710 1.00 0.00 O ATOM 262 CB ASP D 18 -0.955 10.345 4.102 1.00 0.00 C ATOM 263 CG ASP D 18 -0.262 10.584 5.422 1.00 0.00 C ATOM 264 OD1 ASP D 18 0.378 9.652 5.943 1.00 0.00 O ATOM 265 OD2 ASP D 18 -0.346 11.716 5.934 1.00 0.00 O1- ATOM 0 H ASP D 18 -0.234 7.997 4.363 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.635 9.309 4.986 1.00 0.00 H new ATOM 0 HB2 ASP D 18 -0.205 10.143 3.337 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -1.477 11.254 3.804 1.00 0.00 H new ATOM 270 N LYS D 19 -2.499 8.232 1.952 1.00 0.00 N ATOM 271 CA LYS D 19 -3.322 8.081 0.753 1.00 0.00 C ATOM 272 C LYS D 19 -4.471 7.197 1.103 1.00 0.00 C ATOM 273 O LYS D 19 -5.627 7.508 0.884 1.00 0.00 O ATOM 274 CB LYS D 19 -2.604 7.409 -0.424 1.00 0.00 C ATOM 275 CG LYS D 19 -1.582 8.248 -1.200 1.00 0.00 C ATOM 276 CD LYS D 19 -0.284 8.537 -0.459 1.00 0.00 C ATOM 277 CE LYS D 19 -0.426 9.611 0.599 1.00 0.00 C ATOM 278 NZ LYS D 19 -0.882 10.905 0.027 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.729 7.568 2.031 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.604 9.087 0.441 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -2.094 6.523 -0.046 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -3.361 7.065 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -1.344 7.732 -2.130 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -2.046 9.196 -1.471 1.00 0.00 H new ATOM 0 HD2 LYS D 19 0.071 7.619 0.010 1.00 0.00 H new ATOM 0 HD3 LYS D 19 0.476 8.843 -1.178 1.00 0.00 H new ATOM 0 HE2 LYS D 19 -1.136 9.280 1.357 1.00 0.00 H new ATOM 0 HE3 LYS D 19 0.531 9.754 1.100 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 -0.648 11.677 0.684 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 -0.407 11.069 -0.884 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 -1.911 10.876 -0.120 1.00 0.00 H new ATOM 292 N LEU D 20 -4.082 6.049 1.586 1.00 0.00 N ATOM 293 CA LEU D 20 -4.979 4.984 1.928 1.00 0.00 C ATOM 294 C LEU D 20 -6.026 5.445 2.942 1.00 0.00 C ATOM 295 O LEU D 20 -7.202 5.103 2.856 1.00 0.00 O ATOM 296 CB LEU D 20 -4.120 3.897 2.529 1.00 0.00 C ATOM 297 CG LEU D 20 -2.964 3.433 1.634 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.078 2.437 2.359 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.496 2.830 0.343 1.00 0.00 C ATOM 0 H LEU D 20 -3.102 5.824 1.757 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.523 4.637 1.049 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.710 4.255 3.473 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -4.751 3.039 2.760 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.360 4.306 1.387 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.267 2.125 1.701 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.662 2.903 3.252 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -2.668 1.566 2.645 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -2.661 2.507 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.129 1.973 0.575 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -4.080 3.577 -0.194 1.00 0.00 H new ATOM 311 N ASN D 21 -5.562 6.233 3.896 1.00 0.00 N ATOM 312 CA ASN D 21 -6.396 6.785 4.948 1.00 0.00 C ATOM 313 C ASN D 21 -7.149 8.013 4.453 1.00 0.00 C ATOM 314 O ASN D 21 -6.557 9.090 4.339 1.00 0.00 O ATOM 315 CB ASN D 21 -5.520 7.169 6.150 1.00 0.00 C ATOM 316 CG ASN D 21 -5.099 5.970 6.980 1.00 0.00 C ATOM 317 OD1 ASN D 21 -5.937 5.258 7.531 1.00 0.00 O ATOM 318 ND2 ASN D 21 -3.801 5.741 7.081 1.00 0.00 N ATOM 0 H ASN D 21 -4.583 6.511 3.962 1.00 0.00 H new ATOM 0 HA ASN D 21 -7.123 6.030 5.247 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.630 7.689 5.794 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -6.066 7.869 6.782 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -3.464 4.951 7.631 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -3.137 6.354 6.609 1.00 0.00 H new ATOM 325 N LYS D 22 -8.422 7.864 4.082 1.00 0.00 N ATOM 326 CA LYS D 22 -9.144 9.015 3.516 1.00 0.00 C ATOM 327 C LYS D 22 -10.423 9.399 4.250 1.00 0.00 C ATOM 328 O LYS D 22 -10.710 10.587 4.397 1.00 0.00 O ATOM 329 CB LYS D 22 -9.426 8.807 2.029 1.00 0.00 C ATOM 330 CG LYS D 22 -8.172 8.920 1.181 1.00 0.00 C ATOM 331 CD LYS D 22 -8.446 8.673 -0.288 1.00 0.00 C ATOM 332 CE LYS D 22 -7.187 8.881 -1.119 1.00 0.00 C ATOM 333 NZ LYS D 22 -7.412 8.628 -2.563 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.959 7.000 4.156 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.468 9.859 3.652 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -9.874 7.824 1.881 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -10.156 9.544 1.694 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -7.740 9.913 1.306 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.431 8.204 1.535 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -8.814 7.657 -0.427 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -9.230 9.347 -0.634 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -6.831 9.902 -0.983 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -6.402 8.218 -0.755 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -6.684 9.120 -3.119 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -7.358 7.606 -2.749 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -8.352 8.980 -2.835 1.00 0.00 H new ATOM 347 N GLY D 23 -11.222 8.429 4.653 1.00 0.00 N ATOM 348 CA GLY D 23 -12.470 8.756 5.285 1.00 0.00 C ATOM 349 C GLY D 23 -13.293 7.542 5.629 1.00 0.00 C ATOM 350 O GLY D 23 -13.171 7.009 6.731 1.00 0.00 O ATOM 0 H GLY D 23 -11.029 7.432 4.554 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -12.272 9.323 6.194 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -13.047 9.403 4.624 1.00 0.00 H new ATOM 354 N LYS D 24 -14.120 7.089 4.687 1.00 0.00 N ATOM 355 CA LYS D 24 -14.938 5.906 4.914 1.00 0.00 C ATOM 356 C LYS D 24 -14.036 4.722 5.174 1.00 0.00 C ATOM 357 O LYS D 24 -14.006 4.175 6.274 1.00 0.00 O ATOM 358 CB LYS D 24 -15.854 5.626 3.720 1.00 0.00 C ATOM 359 CG LYS D 24 -16.806 4.470 3.962 1.00 0.00 C ATOM 360 CD LYS D 24 -18.067 4.571 3.128 1.00 0.00 C ATOM 361 CE LYS D 24 -17.784 4.479 1.639 1.00 0.00 C ATOM 362 NZ LYS D 24 -19.038 4.474 0.842 1.00 0.00 N1+ ATOM 0 H LYS D 24 -14.238 7.520 3.770 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.574 6.081 5.781 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -16.430 6.523 3.493 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -15.243 5.409 2.843 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -16.299 3.532 3.735 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -17.074 4.440 5.018 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -18.754 3.775 3.415 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -18.567 5.516 3.343 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -17.162 5.320 1.334 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -17.217 3.572 1.431 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -18.806 4.410 -0.170 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -19.620 3.657 1.116 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -19.567 5.351 1.021 1.00 0.00 H new ATOM 376 N GLY D 25 -13.234 4.400 4.182 1.00 0.00 N ATOM 377 CA GLY D 25 -12.262 3.359 4.335 1.00 0.00 C ATOM 378 C GLY D 25 -10.856 3.864 4.209 1.00 0.00 C ATOM 379 O GLY D 25 -10.614 4.952 3.686 1.00 0.00 O ATOM 0 H GLY D 25 -13.242 4.848 3.266 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.389 2.888 5.309 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.437 2.589 3.583 1.00 0.00 H new ATOM 383 N LYS D 26 -9.968 3.150 4.855 1.00 0.00 N ATOM 384 CA LYS D 26 -8.589 3.582 5.006 1.00 0.00 C ATOM 385 C LYS D 26 -7.656 2.388 5.074 1.00 0.00 C ATOM 386 O LYS D 26 -8.098 1.283 5.356 1.00 0.00 O ATOM 387 CB LYS D 26 -8.526 4.404 6.261 1.00 0.00 C ATOM 388 CG LYS D 26 -9.423 3.803 7.287 1.00 0.00 C ATOM 389 CD LYS D 26 -9.726 4.770 8.417 1.00 0.00 C ATOM 390 CE LYS D 26 -10.427 6.013 7.900 1.00 0.00 C ATOM 391 NZ LYS D 26 -10.937 6.862 9.008 1.00 0.00 N1+ ATOM 0 H LYS D 26 -10.174 2.252 5.293 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.267 4.174 4.149 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.502 4.442 6.634 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.828 5.430 6.053 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -10.356 3.493 6.816 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.958 2.905 7.694 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -10.352 4.279 9.162 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.799 5.053 8.916 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -9.735 6.592 7.288 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -11.256 5.721 7.255 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -11.409 7.701 8.614 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -11.616 6.318 9.578 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -10.143 7.162 9.609 1.00 0.00 H new ATOM 405 N LEU D 27 -6.381 2.599 4.810 1.00 0.00 N ATOM 406 CA LEU D 27 -5.421 1.508 4.841 1.00 0.00 C ATOM 407 C LEU D 27 -4.109 1.919 5.511 1.00 0.00 C ATOM 408 O LEU D 27 -3.724 3.088 5.509 1.00 0.00 O ATOM 409 CB LEU D 27 -5.177 0.993 3.432 1.00 0.00 C ATOM 410 CG LEU D 27 -4.055 -0.037 3.284 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.349 -1.287 4.097 1.00 0.00 C ATOM 412 CD2 LEU D 27 -3.851 -0.406 1.825 1.00 0.00 C ATOM 0 H LEU D 27 -5.986 3.509 4.573 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.844 0.704 5.444 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.102 0.550 3.062 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -4.951 1.843 2.789 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.140 0.416 3.664 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.535 -2.001 3.973 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.442 -1.022 5.150 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.281 -1.735 3.752 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.049 -1.139 1.744 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -4.772 -0.830 1.425 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.586 0.486 1.258 1.00 0.00 H new ATOM 424 N SER D 28 -3.466 0.940 6.119 1.00 0.00 N ATOM 425 CA SER D 28 -2.231 1.115 6.858 1.00 0.00 C ATOM 426 C SER D 28 -1.272 0.001 6.483 1.00 0.00 C ATOM 427 O SER D 28 -1.707 -1.111 6.200 1.00 0.00 O ATOM 428 CB SER D 28 -2.527 1.026 8.353 1.00 0.00 C ATOM 429 OG SER D 28 -3.499 1.986 8.748 1.00 0.00 O ATOM 0 H SER D 28 -3.798 -0.025 6.112 1.00 0.00 H new ATOM 0 HA SER D 28 -1.792 2.084 6.622 1.00 0.00 H new ATOM 0 HB2 SER D 28 -2.883 0.025 8.596 1.00 0.00 H new ATOM 0 HB3 SER D 28 -1.608 1.183 8.917 1.00 0.00 H new ATOM 0 HG SER D 28 -3.669 1.903 9.710 1.00 0.00 H new ATOM 435 N LEU D 29 0.025 0.263 6.529 1.00 0.00 N ATOM 436 CA LEU D 29 0.992 -0.780 6.239 1.00 0.00 C ATOM 437 C LEU D 29 2.176 -0.681 7.191 1.00 0.00 C ATOM 438 O LEU D 29 2.562 0.414 7.597 1.00 0.00 O ATOM 439 CB LEU D 29 1.502 -0.681 4.809 1.00 0.00 C ATOM 440 CG LEU D 29 0.426 -0.491 3.744 1.00 0.00 C ATOM 441 CD1 LEU D 29 1.047 -0.026 2.437 1.00 0.00 C ATOM 442 CD2 LEU D 29 -0.327 -1.784 3.507 1.00 0.00 C ATOM 0 H LEU D 29 0.426 1.172 6.760 1.00 0.00 H new ATOM 0 HA LEU D 29 0.488 -1.738 6.369 1.00 0.00 H new ATOM 0 HB2 LEU D 29 2.202 0.152 4.747 1.00 0.00 H new ATOM 0 HB3 LEU D 29 2.063 -1.586 4.577 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.270 0.267 4.103 1.00 0.00 H new ATOM 0 HD11 LEU D 29 0.265 0.104 1.689 1.00 0.00 H new ATOM 0 HD12 LEU D 29 1.560 0.923 2.595 1.00 0.00 H new ATOM 0 HD13 LEU D 29 1.762 -0.771 2.088 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -1.089 -1.626 2.744 1.00 0.00 H new ATOM 0 HD22 LEU D 29 0.368 -2.554 3.172 1.00 0.00 H new ATOM 0 HD23 LEU D 29 -0.802 -2.104 4.434 1.00 0.00 H new ATOM 454 N SER D 30 2.785 -1.814 7.481 1.00 0.00 N ATOM 455 CA SER D 30 3.972 -1.863 8.313 1.00 0.00 C ATOM 456 C SER D 30 4.702 -3.179 8.060 1.00 0.00 C ATOM 457 O SER D 30 4.352 -3.923 7.141 1.00 0.00 O ATOM 458 CB SER D 30 3.598 -1.717 9.798 1.00 0.00 C ATOM 459 OG SER D 30 4.755 -1.611 10.617 1.00 0.00 O ATOM 0 H SER D 30 2.472 -2.726 7.147 1.00 0.00 H new ATOM 0 HA SER D 30 4.631 -1.033 8.058 1.00 0.00 H new ATOM 0 HB2 SER D 30 2.973 -0.834 9.932 1.00 0.00 H new ATOM 0 HB3 SER D 30 3.006 -2.577 10.112 1.00 0.00 H new ATOM 0 HG SER D 30 5.428 -1.062 10.163 1.00 0.00 H new ATOM 465 N MET D 31 5.713 -3.459 8.861 1.00 0.00 N ATOM 466 CA MET D 31 6.497 -4.674 8.714 1.00 0.00 C ATOM 467 C MET D 31 6.878 -5.247 10.068 1.00 0.00 C ATOM 468 O MET D 31 6.720 -4.596 11.102 1.00 0.00 O ATOM 469 CB MET D 31 7.736 -4.397 7.847 1.00 0.00 C ATOM 470 CG MET D 31 8.525 -3.152 8.246 1.00 0.00 C ATOM 471 SD MET D 31 9.341 -3.284 9.848 1.00 0.00 S ATOM 472 CE MET D 31 10.524 -4.585 9.525 1.00 0.00 C ATOM 0 H MET D 31 6.014 -2.856 9.627 1.00 0.00 H new ATOM 0 HA MET D 31 5.889 -5.425 8.210 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.398 -5.262 7.895 1.00 0.00 H new ATOM 0 HB3 MET D 31 7.421 -4.294 6.809 1.00 0.00 H new ATOM 0 HG2 MET D 31 9.276 -2.950 7.482 1.00 0.00 H new ATOM 0 HG3 MET D 31 7.850 -2.296 8.263 1.00 0.00 H new ATOM 0 HE1 MET D 31 11.242 -4.636 10.344 1.00 0.00 H new ATOM 0 HE2 MET D 31 10.002 -5.538 9.440 1.00 0.00 H new ATOM 0 HE3 MET D 31 11.050 -4.375 8.594 1.00 0.00 H new ATOM 482 N ASN D 32 7.336 -6.485 10.049 1.00 0.00 N ATOM 483 CA ASN D 32 7.703 -7.190 11.266 1.00 0.00 C ATOM 484 C ASN D 32 8.896 -8.084 10.972 1.00 0.00 C ATOM 485 O ASN D 32 8.728 -9.194 10.466 1.00 0.00 O ATOM 486 CB ASN D 32 6.519 -8.030 11.766 1.00 0.00 C ATOM 487 CG ASN D 32 6.787 -8.688 13.109 1.00 0.00 C ATOM 488 OD1 ASN D 32 7.718 -9.479 13.261 1.00 0.00 O ATOM 489 ND2 ASN D 32 5.968 -8.363 14.096 1.00 0.00 N ATOM 0 H ASN D 32 7.464 -7.029 9.196 1.00 0.00 H new ATOM 0 HA ASN D 32 7.966 -6.473 12.044 1.00 0.00 H new ATOM 0 HB2 ASN D 32 5.638 -7.394 11.848 1.00 0.00 H new ATOM 0 HB3 ASN D 32 6.289 -8.800 11.029 1.00 0.00 H new ATOM 0 HD21 ASN D 32 6.097 -8.772 15.021 1.00 0.00 H new ATOM 0 HD22 ASN D 32 5.208 -7.703 13.931 1.00 0.00 H new ATOM 496 N GLY D 33 10.094 -7.543 11.136 1.00 0.00 N ATOM 497 CA GLY D 33 11.280 -8.269 10.715 1.00 0.00 C ATOM 498 C GLY D 33 11.386 -8.311 9.206 1.00 0.00 C ATOM 499 O GLY D 33 11.796 -7.338 8.574 1.00 0.00 O ATOM 0 H GLY D 33 10.268 -6.626 11.547 1.00 0.00 H new ATOM 0 HA2 GLY D 33 12.168 -7.794 11.132 1.00 0.00 H new ATOM 0 HA3 GLY D 33 11.247 -9.285 11.109 1.00 0.00 H new ATOM 503 N ASN D 34 10.946 -9.414 8.616 1.00 0.00 N ATOM 504 CA ASN D 34 10.919 -9.549 7.162 1.00 0.00 C ATOM 505 C ASN D 34 9.479 -9.616 6.662 1.00 0.00 C ATOM 506 O ASN D 34 9.229 -10.002 5.521 1.00 0.00 O ATOM 507 CB ASN D 34 11.666 -10.814 6.717 1.00 0.00 C ATOM 508 CG ASN D 34 13.151 -10.795 7.043 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.640 -9.688 7.581 1.00 0.00 O flip ATOM 510 ND2 ASN D 34 13.858 -11.772 6.796 1.00 0.00 N flip ATOM 0 H ASN D 34 10.602 -10.231 9.121 1.00 0.00 H new ATOM 0 HA ASN D 34 11.413 -8.676 6.736 1.00 0.00 H new ATOM 0 HB2 ASN D 34 11.210 -11.681 7.194 1.00 0.00 H new ATOM 0 HB3 ASN D 34 11.541 -10.939 5.641 1.00 0.00 H new ATOM 0 HD21 ASN D 34 13.446 -12.608 6.381 1.00 0.00 H new ATOM 0 HD22 ASN D 34 14.856 -11.746 7.006 1.00 0.00 H new ATOM 517 N GLN D 35 8.536 -9.390 7.570 1.00 0.00 N ATOM 518 CA GLN D 35 7.119 -9.585 7.276 1.00 0.00 C ATOM 519 C GLN D 35 6.487 -8.316 6.708 1.00 0.00 C ATOM 520 O GLN D 35 6.992 -7.216 6.914 1.00 0.00 O ATOM 521 CB GLN D 35 6.388 -9.998 8.554 1.00 0.00 C ATOM 522 CG GLN D 35 4.976 -10.521 8.330 1.00 0.00 C ATOM 523 CD GLN D 35 4.321 -11.013 9.605 1.00 0.00 C ATOM 524 OE1 GLN D 35 5.052 -10.974 10.710 1.00 0.00 O flip ATOM 525 NE2 GLN D 35 3.167 -11.433 9.593 1.00 0.00 N flip ATOM 0 H GLN D 35 8.727 -9.070 8.520 1.00 0.00 H new ATOM 0 HA GLN D 35 7.030 -10.369 6.524 1.00 0.00 H new ATOM 0 HB2 GLN D 35 6.972 -10.768 9.059 1.00 0.00 H new ATOM 0 HB3 GLN D 35 6.342 -9.140 9.225 1.00 0.00 H new ATOM 0 HG2 GLN D 35 4.365 -9.730 7.896 1.00 0.00 H new ATOM 0 HG3 GLN D 35 5.006 -11.335 7.605 1.00 0.00 H new ATOM 0 HE21 GLN D 35 2.638 -11.446 8.721 1.00 0.00 H new ATOM 0 HE22 GLN D 35 2.737 -11.769 10.455 1.00 0.00 H new ATOM 534 N LEU D 36 5.347 -8.485 6.052 1.00 0.00 N ATOM 535 CA LEU D 36 4.577 -7.374 5.502 1.00 0.00 C ATOM 536 C LEU D 36 3.187 -7.361 6.110 1.00 0.00 C ATOM 537 O LEU D 36 2.591 -8.416 6.332 1.00 0.00 O ATOM 538 CB LEU D 36 4.576 -7.496 3.973 1.00 0.00 C ATOM 539 CG LEU D 36 3.587 -6.646 3.136 1.00 0.00 C ATOM 540 CD1 LEU D 36 2.147 -7.115 3.299 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.691 -5.167 3.479 1.00 0.00 C ATOM 0 H LEU D 36 4.927 -9.400 5.885 1.00 0.00 H new ATOM 0 HA LEU D 36 5.026 -6.414 5.755 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.582 -7.260 3.627 1.00 0.00 H new ATOM 0 HB3 LEU D 36 4.393 -8.543 3.730 1.00 0.00 H new ATOM 0 HG LEU D 36 3.872 -6.784 2.093 1.00 0.00 H new ATOM 0 HD11 LEU D 36 1.490 -6.490 2.694 1.00 0.00 H new ATOM 0 HD12 LEU D 36 2.063 -8.152 2.973 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.856 -7.039 4.347 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.983 -4.602 2.873 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.462 -5.021 4.535 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.703 -4.817 3.276 1.00 0.00 H new ATOM 553 N LYS D 37 2.773 -6.184 6.566 1.00 0.00 N ATOM 554 CA LYS D 37 1.569 -6.066 7.371 1.00 0.00 C ATOM 555 C LYS D 37 0.695 -4.902 6.918 1.00 0.00 C ATOM 556 O LYS D 37 1.083 -3.747 7.031 1.00 0.00 O ATOM 557 CB LYS D 37 1.977 -5.847 8.826 1.00 0.00 C ATOM 558 CG LYS D 37 2.927 -6.909 9.360 1.00 0.00 C ATOM 559 CD LYS D 37 2.302 -8.304 9.444 1.00 0.00 C ATOM 560 CE LYS D 37 1.060 -8.379 10.340 1.00 0.00 C ATOM 561 NZ LYS D 37 -0.126 -7.668 9.775 1.00 0.00 N1+ ATOM 0 H LYS D 37 3.254 -5.302 6.391 1.00 0.00 H new ATOM 0 HA LYS D 37 0.989 -6.982 7.258 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.450 -4.869 8.919 1.00 0.00 H new ATOM 0 HB3 LYS D 37 1.081 -5.828 9.447 1.00 0.00 H new ATOM 0 HG2 LYS D 37 3.807 -6.952 8.719 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.269 -6.613 10.352 1.00 0.00 H new ATOM 0 HD2 LYS D 37 2.033 -8.631 8.440 1.00 0.00 H new ATOM 0 HD3 LYS D 37 3.050 -9.004 9.818 1.00 0.00 H new ATOM 0 HE2 LYS D 37 0.802 -9.425 10.504 1.00 0.00 H new ATOM 0 HE3 LYS D 37 1.299 -7.953 11.315 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 -0.995 -8.165 10.056 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 -0.152 -6.694 10.138 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 -0.058 -7.649 8.737 1.00 0.00 H new ATOM 575 N ALA D 38 -0.519 -5.208 6.502 1.00 0.00 N ATOM 576 CA ALA D 38 -1.492 -4.189 6.143 1.00 0.00 C ATOM 577 C ALA D 38 -2.684 -4.217 7.087 1.00 0.00 C ATOM 578 O ALA D 38 -3.061 -5.273 7.605 1.00 0.00 O ATOM 579 CB ALA D 38 -1.956 -4.396 4.714 1.00 0.00 C ATOM 0 H ALA D 38 -0.859 -6.164 6.403 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.013 -3.214 6.228 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.685 -3.628 4.453 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.101 -4.329 4.041 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.416 -5.380 4.620 1.00 0.00 H new ATOM 585 N THR D 39 -3.294 -3.055 7.259 1.00 0.00 N ATOM 586 CA THR D 39 -4.481 -2.897 8.085 1.00 0.00 C ATOM 587 C THR D 39 -5.403 -1.824 7.508 1.00 0.00 C ATOM 588 O THR D 39 -4.989 -0.703 7.283 1.00 0.00 O ATOM 589 CB THR D 39 -4.087 -2.548 9.526 1.00 0.00 C ATOM 590 OG1 THR D 39 -3.046 -1.588 9.554 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.651 -3.736 10.354 1.00 0.00 C ATOM 0 H THR D 39 -2.977 -2.188 6.826 1.00 0.00 H new ATOM 0 HA THR D 39 -5.022 -3.843 8.092 1.00 0.00 H new ATOM 0 HB THR D 39 -4.999 -2.149 9.969 1.00 0.00 H new ATOM 0 HG1 THR D 39 -2.816 -1.382 10.484 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.390 -3.403 11.359 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.465 -4.458 10.411 1.00 0.00 H new ATOM 0 HG23 THR D 39 -2.783 -4.204 9.890 1.00 0.00 H new ATOM 599 N SER D 40 -6.675 -2.133 7.394 1.00 0.00 N ATOM 600 CA SER D 40 -7.665 -1.153 6.982 1.00 0.00 C ATOM 601 C SER D 40 -8.468 -0.787 8.189 1.00 0.00 C ATOM 602 O SER D 40 -8.891 -1.654 8.955 1.00 0.00 O ATOM 603 CB SER D 40 -8.580 -1.721 5.913 1.00 0.00 C ATOM 604 OG SER D 40 -9.618 -0.813 5.578 1.00 0.00 O ATOM 0 H SER D 40 -7.054 -3.061 7.581 1.00 0.00 H new ATOM 0 HA SER D 40 -7.167 -0.279 6.562 1.00 0.00 H new ATOM 0 HB2 SER D 40 -7.998 -1.954 5.021 1.00 0.00 H new ATOM 0 HB3 SER D 40 -9.014 -2.657 6.264 1.00 0.00 H new ATOM 0 HG SER D 40 -9.228 0.017 5.232 1.00 0.00 H new ATOM 610 N SER D 41 -8.668 0.486 8.377 1.00 0.00 N ATOM 611 CA SER D 41 -9.410 0.923 9.525 1.00 0.00 C ATOM 612 C SER D 41 -10.865 1.056 9.120 1.00 0.00 C ATOM 613 O SER D 41 -11.144 1.151 7.923 1.00 0.00 O ATOM 614 CB SER D 41 -8.835 2.232 10.074 1.00 0.00 C ATOM 615 OG SER D 41 -9.524 2.667 11.236 1.00 0.00 O ATOM 0 H SER D 41 -8.334 1.229 7.762 1.00 0.00 H new ATOM 0 HA SER D 41 -9.333 0.196 10.333 1.00 0.00 H new ATOM 0 HB2 SER D 41 -7.779 2.095 10.308 1.00 0.00 H new ATOM 0 HB3 SER D 41 -8.894 3.004 9.307 1.00 0.00 H new ATOM 0 HG SER D 41 -9.127 3.504 11.558 1.00 0.00 H new ATOM 621 N ASN D 42 -11.744 0.800 10.102 1.00 0.00 N ATOM 622 CA ASN D 42 -13.198 0.584 9.927 1.00 0.00 C ATOM 623 C ASN D 42 -13.453 -0.876 9.546 1.00 0.00 C ATOM 624 O ASN D 42 -14.563 -1.390 9.728 1.00 0.00 O ATOM 625 CB ASN D 42 -13.851 1.524 8.884 1.00 0.00 C ATOM 626 CG ASN D 42 -13.931 0.935 7.480 1.00 0.00 C ATOM 627 OD1 ASN D 42 -14.575 -0.084 7.249 1.00 0.00 O ATOM 628 ND2 ASN D 42 -13.291 1.584 6.529 1.00 0.00 N ATOM 0 H ASN D 42 -11.455 0.734 11.078 1.00 0.00 H new ATOM 0 HA ASN D 42 -13.666 0.823 10.882 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -14.857 1.777 9.218 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -13.285 2.455 8.844 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -13.322 1.242 5.568 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -12.764 2.428 6.753 1.00 0.00 H new ATOM 635 N ALA D 43 -12.387 -1.551 9.108 1.00 0.00 N ATOM 636 CA ALA D 43 -12.409 -2.979 8.793 1.00 0.00 C ATOM 637 C ALA D 43 -13.366 -3.338 7.651 1.00 0.00 C ATOM 638 O ALA D 43 -14.110 -4.315 7.758 1.00 0.00 O ATOM 639 CB ALA D 43 -12.745 -3.796 10.036 1.00 0.00 C ATOM 0 H ALA D 43 -11.476 -1.116 8.961 1.00 0.00 H new ATOM 0 HA ALA D 43 -11.406 -3.229 8.448 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -12.757 -4.856 9.782 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -11.993 -3.615 10.804 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -13.725 -3.502 10.411 1.00 0.00 H new ATOM 645 N GLY D 44 -13.200 -2.712 6.487 1.00 0.00 N ATOM 646 CA GLY D 44 -13.910 -3.196 5.318 1.00 0.00 C ATOM 647 C GLY D 44 -14.791 -2.179 4.623 1.00 0.00 C ATOM 648 O GLY D 44 -15.756 -2.556 3.965 1.00 0.00 O ATOM 0 H GLY D 44 -12.602 -1.899 6.335 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -13.180 -3.570 4.600 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -14.528 -4.044 5.615 1.00 0.00 H new ATOM 652 N TYR D 45 -14.369 -0.927 4.597 1.00 0.00 N ATOM 653 CA TYR D 45 -15.037 0.076 3.770 1.00 0.00 C ATOM 654 C TYR D 45 -14.037 0.696 2.812 1.00 0.00 C ATOM 655 O TYR D 45 -12.832 0.683 3.069 1.00 0.00 O ATOM 656 CB TYR D 45 -15.711 1.182 4.602 1.00 0.00 C ATOM 657 CG TYR D 45 -17.008 0.769 5.300 1.00 0.00 C ATOM 658 CD1 TYR D 45 -17.132 -0.475 5.909 1.00 0.00 C ATOM 659 CD2 TYR D 45 -18.109 1.625 5.357 1.00 0.00 C ATOM 660 CE1 TYR D 45 -18.295 -0.854 6.542 1.00 0.00 C ATOM 661 CE2 TYR D 45 -19.276 1.247 5.991 1.00 0.00 C ATOM 662 CZ TYR D 45 -19.362 0.008 6.581 1.00 0.00 C ATOM 663 OH TYR D 45 -20.520 -0.370 7.214 1.00 0.00 O ATOM 0 H TYR D 45 -13.574 -0.578 5.132 1.00 0.00 H new ATOM 0 HA TYR D 45 -15.825 -0.436 3.218 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -15.005 1.529 5.357 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.922 2.029 3.949 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -16.297 -1.160 5.885 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -18.047 2.600 4.897 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -18.367 -1.826 7.006 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -20.118 1.922 6.023 1.00 0.00 H new ATOM 0 HH TYR D 45 -21.178 0.354 7.153 1.00 0.00 H new ATOM 673 N GLY D 46 -14.538 1.270 1.732 1.00 0.00 N ATOM 674 CA GLY D 46 -13.669 1.935 0.784 1.00 0.00 C ATOM 675 C GLY D 46 -13.658 3.422 1.018 1.00 0.00 C ATOM 676 O GLY D 46 -14.394 3.892 1.872 1.00 0.00 O ATOM 0 H GLY D 46 -15.530 1.288 1.494 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.657 1.541 0.874 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -14.004 1.725 -0.232 1.00 0.00 H new ATOM 680 N ILE D 47 -12.844 4.165 0.261 1.00 0.00 N ATOM 681 CA ILE D 47 -12.760 5.622 0.404 1.00 0.00 C ATOM 682 C ILE D 47 -14.145 6.208 0.451 1.00 0.00 C ATOM 683 O ILE D 47 -14.531 6.888 1.399 1.00 0.00 O ATOM 684 CB ILE D 47 -12.079 6.244 -0.811 1.00 0.00 C ATOM 685 CG1 ILE D 47 -10.775 5.537 -1.106 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.835 7.730 -0.605 1.00 0.00 C ATOM 687 CD1 ILE D 47 -9.817 5.501 0.066 1.00 0.00 C ATOM 0 H ILE D 47 -12.232 3.780 -0.459 1.00 0.00 H new ATOM 0 HA ILE D 47 -12.199 5.829 1.315 1.00 0.00 H new ATOM 0 HB ILE D 47 -12.746 6.125 -1.665 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -10.990 4.515 -1.418 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -10.287 6.031 -1.946 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -11.349 8.145 -1.488 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.787 8.236 -0.444 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -11.194 7.876 0.265 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -8.906 4.978 -0.225 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -9.570 6.520 0.366 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -10.284 4.980 0.902 1.00 0.00 H new ATOM 699 N SER D 48 -14.879 5.887 -0.595 1.00 0.00 N ATOM 700 CA SER D 48 -16.249 6.303 -0.750 1.00 0.00 C ATOM 701 C SER D 48 -16.744 5.754 -2.084 1.00 0.00 C ATOM 702 O SER D 48 -16.146 4.814 -2.613 1.00 0.00 O ATOM 703 CB SER D 48 -16.326 7.834 -0.718 1.00 0.00 C ATOM 704 OG SER D 48 -17.668 8.293 -0.644 1.00 0.00 O ATOM 0 H SER D 48 -14.531 5.322 -1.370 1.00 0.00 H new ATOM 0 HA SER D 48 -16.874 5.924 0.059 1.00 0.00 H new ATOM 0 HB2 SER D 48 -15.766 8.208 0.139 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.851 8.241 -1.611 1.00 0.00 H new ATOM 0 HG SER D 48 -17.863 8.860 -1.419 1.00 0.00 H new ATOM 710 N TYR D 49 -17.659 6.463 -2.727 1.00 0.00 N ATOM 711 CA TYR D 49 -18.002 6.155 -4.109 1.00 0.00 C ATOM 712 C TYR D 49 -16.951 6.718 -5.055 1.00 0.00 C ATOM 713 O TYR D 49 -17.118 7.792 -5.636 1.00 0.00 O ATOM 714 CB TYR D 49 -19.392 6.686 -4.467 1.00 0.00 C ATOM 715 CG TYR D 49 -19.760 8.018 -3.809 1.00 0.00 C ATOM 716 CD1 TYR D 49 -18.859 9.080 -3.772 1.00 0.00 C ATOM 717 CD2 TYR D 49 -21.009 8.210 -3.212 1.00 0.00 C ATOM 718 CE1 TYR D 49 -19.186 10.276 -3.169 1.00 0.00 C ATOM 719 CE2 TYR D 49 -21.336 9.407 -2.612 1.00 0.00 C ATOM 720 CZ TYR D 49 -20.423 10.433 -2.592 1.00 0.00 C ATOM 721 OH TYR D 49 -20.750 11.623 -1.988 1.00 0.00 O ATOM 0 H TYR D 49 -18.172 7.246 -2.322 1.00 0.00 H new ATOM 0 HA TYR D 49 -18.023 5.071 -4.218 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -19.453 6.802 -5.549 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -20.134 5.940 -4.184 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -17.885 8.964 -4.225 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -21.731 7.406 -3.221 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -18.472 11.086 -3.150 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -22.308 9.538 -2.159 1.00 0.00 H new ATOM 0 HH TYR D 49 -21.661 11.569 -1.631 1.00 0.00 H new ATOM 731 N GLU D 50 -15.824 6.036 -5.120 1.00 0.00 N ATOM 732 CA GLU D 50 -14.696 6.520 -5.883 1.00 0.00 C ATOM 733 C GLU D 50 -14.194 5.494 -6.881 1.00 0.00 C ATOM 734 O GLU D 50 -14.792 4.433 -7.055 1.00 0.00 O ATOM 735 CB GLU D 50 -13.553 6.881 -4.942 1.00 0.00 C ATOM 736 CG GLU D 50 -13.831 8.073 -4.056 1.00 0.00 C ATOM 737 CD GLU D 50 -14.093 9.336 -4.838 1.00 0.00 C ATOM 738 OE1 GLU D 50 -13.200 9.755 -5.596 1.00 0.00 O ATOM 739 OE2 GLU D 50 -15.182 9.918 -4.689 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.668 5.143 -4.652 1.00 0.00 H new ATOM 0 HA GLU D 50 -15.036 7.396 -6.435 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -13.330 6.019 -4.313 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -12.660 7.083 -5.534 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -14.693 7.857 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -12.981 8.232 -3.392 1.00 0.00 H new ATOM 746 N ASP D 51 -12.999 5.766 -7.398 1.00 0.00 N ATOM 747 CA ASP D 51 -12.265 4.818 -8.235 1.00 0.00 C ATOM 748 C ASP D 51 -10.795 5.162 -8.306 1.00 0.00 C ATOM 749 O ASP D 51 -10.412 6.271 -8.670 1.00 0.00 O ATOM 750 CB ASP D 51 -12.881 4.679 -9.620 1.00 0.00 C ATOM 751 CG ASP D 51 -11.959 3.980 -10.588 1.00 0.00 C ATOM 752 OD1 ASP D 51 -11.566 2.830 -10.310 1.00 0.00 O ATOM 753 OD2 ASP D 51 -11.622 4.587 -11.620 1.00 0.00 O1- ATOM 0 H ASP D 51 -12.511 6.649 -7.249 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.347 3.842 -7.757 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -13.816 4.123 -9.546 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -13.128 5.668 -10.006 1.00 0.00 H new ATOM 758 N LYS D 52 -9.992 4.213 -7.848 1.00 0.00 N ATOM 759 CA LYS D 52 -8.558 4.372 -7.724 1.00 0.00 C ATOM 760 C LYS D 52 -7.868 3.076 -8.069 1.00 0.00 C ATOM 761 O LYS D 52 -7.965 2.107 -7.322 1.00 0.00 O ATOM 762 CB LYS D 52 -8.149 4.761 -6.304 1.00 0.00 C ATOM 763 CG LYS D 52 -8.507 6.175 -5.880 1.00 0.00 C ATOM 764 CD LYS D 52 -9.987 6.364 -5.584 1.00 0.00 C ATOM 765 CE LYS D 52 -10.266 7.806 -5.193 1.00 0.00 C ATOM 766 NZ LYS D 52 -9.748 8.769 -6.204 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.328 3.298 -7.548 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.263 5.167 -8.408 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -8.614 4.064 -5.608 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -7.071 4.635 -6.209 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -7.931 6.436 -4.992 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -8.211 6.868 -6.668 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.577 6.097 -6.461 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -10.292 5.696 -4.779 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -11.340 7.948 -5.074 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -9.808 8.014 -4.226 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -10.391 9.584 -6.268 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -8.802 9.096 -5.920 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -9.689 8.301 -7.131 1.00 0.00 H new ATOM 780 N ASN D 53 -7.089 3.082 -9.126 1.00 0.00 N ATOM 781 CA ASN D 53 -6.294 1.917 -9.450 1.00 0.00 C ATOM 782 C ASN D 53 -4.940 2.036 -8.790 1.00 0.00 C ATOM 783 O ASN D 53 -4.375 3.129 -8.708 1.00 0.00 O ATOM 784 CB ASN D 53 -6.159 1.725 -10.957 1.00 0.00 C ATOM 785 CG ASN D 53 -7.477 1.360 -11.616 1.00 0.00 C ATOM 786 OD1 ASN D 53 -8.564 1.357 -10.844 1.00 0.00 O flip ATOM 787 ND2 ASN D 53 -7.524 1.099 -12.818 1.00 0.00 N flip ATOM 0 H ASN D 53 -6.988 3.868 -9.769 1.00 0.00 H new ATOM 0 HA ASN D 53 -6.802 1.032 -9.068 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -5.774 2.642 -11.404 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.427 0.942 -11.156 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -6.670 1.111 -13.376 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.416 0.870 -13.256 1.00 0.00 H new ATOM 794 N TRP D 54 -4.489 0.948 -8.193 1.00 0.00 N ATOM 795 CA TRP D 54 -3.279 0.978 -7.398 1.00 0.00 C ATOM 796 C TRP D 54 -2.293 -0.081 -7.834 1.00 0.00 C ATOM 797 O TRP D 54 -2.686 -1.120 -8.357 1.00 0.00 O ATOM 798 CB TRP D 54 -3.602 0.756 -5.931 1.00 0.00 C ATOM 799 CG TRP D 54 -3.280 1.935 -5.098 1.00 0.00 C ATOM 800 CD1 TRP D 54 -3.916 3.140 -5.037 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.163 2.022 -4.248 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.255 3.964 -4.155 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.165 3.292 -3.666 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.160 1.125 -3.921 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.183 3.683 -2.767 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.199 1.513 -3.037 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.212 2.782 -2.471 1.00 0.00 C ATOM 0 H TRP D 54 -4.942 0.036 -8.244 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.831 1.961 -7.544 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.661 0.519 -5.827 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -3.045 -0.107 -5.566 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -4.802 3.406 -5.595 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -3.530 4.914 -3.907 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.140 0.138 -4.358 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.191 4.666 -2.320 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.587 0.822 -2.771 1.00 0.00 H new ATOM 0 HH2 TRP D 54 0.570 3.058 -1.779 1.00 0.00 H new ATOM 818 N GLY D 55 -1.021 0.130 -7.510 1.00 0.00 N ATOM 819 CA GLY D 55 -0.035 -0.885 -7.788 1.00 0.00 C ATOM 820 C GLY D 55 1.075 -0.961 -6.758 1.00 0.00 C ATOM 821 O GLY D 55 1.473 0.030 -6.144 1.00 0.00 O ATOM 0 H GLY D 55 -0.664 0.976 -7.066 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.531 -1.854 -7.845 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.404 -0.693 -8.767 1.00 0.00 H new ATOM 825 N ILE D 56 1.618 -2.149 -6.679 1.00 0.00 N ATOM 826 CA ILE D 56 2.774 -2.495 -5.857 1.00 0.00 C ATOM 827 C ILE D 56 3.764 -3.172 -6.785 1.00 0.00 C ATOM 828 O ILE D 56 3.411 -4.141 -7.446 1.00 0.00 O ATOM 829 CB ILE D 56 2.369 -3.486 -4.741 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.210 -2.926 -3.916 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.555 -3.794 -3.841 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.674 -3.906 -2.894 1.00 0.00 C ATOM 0 H ILE D 56 1.258 -2.945 -7.206 1.00 0.00 H new ATOM 0 HA ILE D 56 3.193 -1.607 -5.384 1.00 0.00 H new ATOM 0 HB ILE D 56 2.042 -4.412 -5.213 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.541 -2.022 -3.404 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.403 -2.634 -4.588 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.249 -4.493 -3.062 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.355 -4.238 -4.433 1.00 0.00 H new ATOM 0 HG23 ILE D 56 3.912 -2.872 -3.381 1.00 0.00 H new ATOM 0 HD11 ILE D 56 -0.146 -3.445 -2.343 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.313 -4.800 -3.402 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.469 -4.179 -2.200 1.00 0.00 H new ATOM 844 N PHE D 57 4.898 -2.546 -7.015 1.00 0.00 N ATOM 845 CA PHE D 57 5.776 -3.005 -8.084 1.00 0.00 C ATOM 846 C PHE D 57 7.029 -3.641 -7.530 1.00 0.00 C ATOM 847 O PHE D 57 7.963 -2.942 -7.151 1.00 0.00 O ATOM 848 CB PHE D 57 6.176 -1.866 -9.036 1.00 0.00 C ATOM 849 CG PHE D 57 5.021 -1.108 -9.624 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.719 -1.219 -10.969 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.247 -0.273 -8.838 1.00 0.00 C ATOM 852 CE1 PHE D 57 3.659 -0.522 -11.508 1.00 0.00 C ATOM 853 CE2 PHE D 57 3.195 0.426 -9.370 1.00 0.00 C ATOM 854 CZ PHE D 57 2.894 0.300 -10.704 1.00 0.00 C ATOM 0 H PHE D 57 5.234 -1.736 -6.493 1.00 0.00 H new ATOM 0 HA PHE D 57 5.207 -3.746 -8.646 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.815 -1.167 -8.497 1.00 0.00 H new ATOM 0 HB3 PHE D 57 6.772 -2.282 -9.848 1.00 0.00 H new ATOM 0 HD1 PHE D 57 5.318 -1.857 -11.602 1.00 0.00 H new ATOM 0 HD2 PHE D 57 4.476 -0.170 -7.787 1.00 0.00 H new ATOM 0 HE1 PHE D 57 3.427 -0.619 -12.558 1.00 0.00 H new ATOM 0 HE2 PHE D 57 2.604 1.075 -8.741 1.00 0.00 H new ATOM 0 HZ PHE D 57 2.060 0.843 -11.124 1.00 0.00 H new ATOM 864 N VAL D 58 7.090 -4.959 -7.612 1.00 0.00 N ATOM 865 CA VAL D 58 8.291 -5.688 -7.253 1.00 0.00 C ATOM 866 C VAL D 58 9.186 -5.855 -8.478 1.00 0.00 C ATOM 867 O VAL D 58 8.898 -6.658 -9.368 1.00 0.00 O ATOM 868 CB VAL D 58 7.960 -7.067 -6.640 1.00 0.00 C ATOM 869 CG1 VAL D 58 9.221 -7.866 -6.362 1.00 0.00 C ATOM 870 CG2 VAL D 58 7.169 -6.889 -5.356 1.00 0.00 C ATOM 0 H VAL D 58 6.318 -5.547 -7.926 1.00 0.00 H new ATOM 0 HA VAL D 58 8.820 -5.109 -6.496 1.00 0.00 H new ATOM 0 HB VAL D 58 7.361 -7.620 -7.363 1.00 0.00 H new ATOM 0 HG11 VAL D 58 8.953 -8.831 -5.931 1.00 0.00 H new ATOM 0 HG12 VAL D 58 9.765 -8.023 -7.293 1.00 0.00 H new ATOM 0 HG13 VAL D 58 9.852 -7.319 -5.662 1.00 0.00 H new ATOM 0 HG21 VAL D 58 6.940 -7.866 -4.931 1.00 0.00 H new ATOM 0 HG22 VAL D 58 7.758 -6.312 -4.643 1.00 0.00 H new ATOM 0 HG23 VAL D 58 6.240 -6.361 -5.571 1.00 0.00 H new ATOM 880 N ASN D 59 10.243 -5.052 -8.524 1.00 0.00 N ATOM 881 CA ASN D 59 11.189 -5.040 -9.643 1.00 0.00 C ATOM 882 C ASN D 59 10.506 -4.659 -10.954 1.00 0.00 C ATOM 883 O ASN D 59 10.800 -5.231 -12.005 1.00 0.00 O ATOM 884 CB ASN D 59 11.907 -6.389 -9.792 1.00 0.00 C ATOM 885 CG ASN D 59 12.748 -6.738 -8.581 1.00 0.00 C ATOM 886 OD1 ASN D 59 12.233 -6.889 -7.478 1.00 0.00 O ATOM 887 ND2 ASN D 59 14.053 -6.858 -8.775 1.00 0.00 N ATOM 0 H ASN D 59 10.472 -4.387 -7.785 1.00 0.00 H new ATOM 0 HA ASN D 59 11.935 -4.279 -9.414 1.00 0.00 H new ATOM 0 HB2 ASN D 59 11.168 -7.174 -9.955 1.00 0.00 H new ATOM 0 HB3 ASN D 59 12.544 -6.362 -10.676 1.00 0.00 H new ATOM 0 HD21 ASN D 59 14.666 -7.083 -7.992 1.00 0.00 H new ATOM 0 HD22 ASN D 59 14.444 -6.725 -9.708 1.00 0.00 H new ATOM 894 N GLY D 60 9.707 -3.598 -10.911 1.00 0.00 N ATOM 895 CA GLY D 60 9.137 -3.049 -12.130 1.00 0.00 C ATOM 896 C GLY D 60 7.727 -3.504 -12.418 1.00 0.00 C ATOM 897 O GLY D 60 6.945 -2.779 -13.031 1.00 0.00 O ATOM 0 H GLY D 60 9.444 -3.108 -10.056 1.00 0.00 H new ATOM 0 HA2 GLY D 60 9.149 -1.961 -12.064 1.00 0.00 H new ATOM 0 HA3 GLY D 60 9.774 -3.324 -12.971 1.00 0.00 H new ATOM 901 N GLU D 61 7.426 -4.727 -12.049 1.00 0.00 N ATOM 902 CA GLU D 61 6.122 -5.302 -12.354 1.00 0.00 C ATOM 903 C GLU D 61 5.143 -5.087 -11.208 1.00 0.00 C ATOM 904 O GLU D 61 5.515 -5.191 -10.038 1.00 0.00 O ATOM 905 CB GLU D 61 6.251 -6.799 -12.659 1.00 0.00 C ATOM 906 CG GLU D 61 6.779 -7.624 -11.494 1.00 0.00 C ATOM 907 CD GLU D 61 6.926 -9.083 -11.839 1.00 0.00 C ATOM 908 OE1 GLU D 61 5.909 -9.721 -12.173 1.00 0.00 O ATOM 909 OE2 GLU D 61 8.062 -9.592 -11.786 1.00 0.00 O1- ATOM 0 H GLU D 61 8.057 -5.346 -11.540 1.00 0.00 H new ATOM 0 HA GLU D 61 5.734 -4.793 -13.236 1.00 0.00 H new ATOM 0 HB2 GLU D 61 5.275 -7.185 -12.952 1.00 0.00 H new ATOM 0 HB3 GLU D 61 6.915 -6.929 -13.514 1.00 0.00 H new ATOM 0 HG2 GLU D 61 7.746 -7.229 -11.182 1.00 0.00 H new ATOM 0 HG3 GLU D 61 6.103 -7.521 -10.645 1.00 0.00 H new ATOM 916 N LYS D 62 3.872 -4.916 -11.545 1.00 0.00 N ATOM 917 CA LYS D 62 2.834 -4.846 -10.531 1.00 0.00 C ATOM 918 C LYS D 62 2.595 -6.235 -9.969 1.00 0.00 C ATOM 919 O LYS D 62 2.153 -7.134 -10.684 1.00 0.00 O ATOM 920 CB LYS D 62 1.525 -4.306 -11.108 1.00 0.00 C ATOM 921 CG LYS D 62 1.616 -2.880 -11.606 1.00 0.00 C ATOM 922 CD LYS D 62 0.315 -2.439 -12.253 1.00 0.00 C ATOM 923 CE LYS D 62 0.387 -1.018 -12.784 1.00 0.00 C ATOM 924 NZ LYS D 62 -0.828 -0.663 -13.562 1.00 0.00 N1+ ATOM 0 H LYS D 62 3.539 -4.824 -12.505 1.00 0.00 H new ATOM 0 HA LYS D 62 3.167 -4.167 -9.746 1.00 0.00 H new ATOM 0 HB2 LYS D 62 1.210 -4.948 -11.930 1.00 0.00 H new ATOM 0 HB3 LYS D 62 0.751 -4.365 -10.343 1.00 0.00 H new ATOM 0 HG2 LYS D 62 1.855 -2.217 -10.775 1.00 0.00 H new ATOM 0 HG3 LYS D 62 2.430 -2.795 -12.326 1.00 0.00 H new ATOM 0 HD2 LYS D 62 0.070 -3.118 -13.070 1.00 0.00 H new ATOM 0 HD3 LYS D 62 -0.493 -2.512 -11.525 1.00 0.00 H new ATOM 0 HE2 LYS D 62 0.503 -0.323 -11.952 1.00 0.00 H new ATOM 0 HE3 LYS D 62 1.269 -0.909 -13.415 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 -0.745 0.314 -13.909 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 -0.924 -1.311 -14.370 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 -1.667 -0.743 -12.952 1.00 0.00 H new ATOM 938 N VAL D 63 2.918 -6.415 -8.709 1.00 0.00 N ATOM 939 CA VAL D 63 2.766 -7.705 -8.073 1.00 0.00 C ATOM 940 C VAL D 63 1.365 -7.838 -7.477 1.00 0.00 C ATOM 941 O VAL D 63 0.832 -8.941 -7.344 1.00 0.00 O ATOM 942 CB VAL D 63 3.848 -7.918 -7.006 1.00 0.00 C ATOM 943 CG1 VAL D 63 3.714 -6.924 -5.865 1.00 0.00 C ATOM 944 CG2 VAL D 63 3.853 -9.348 -6.495 1.00 0.00 C ATOM 0 H VAL D 63 3.288 -5.683 -8.102 1.00 0.00 H new ATOM 0 HA VAL D 63 2.890 -8.483 -8.827 1.00 0.00 H new ATOM 0 HB VAL D 63 4.811 -7.737 -7.484 1.00 0.00 H new ATOM 0 HG11 VAL D 63 4.498 -7.107 -5.130 1.00 0.00 H new ATOM 0 HG12 VAL D 63 3.810 -5.910 -6.253 1.00 0.00 H new ATOM 0 HG13 VAL D 63 2.739 -7.041 -5.393 1.00 0.00 H new ATOM 0 HG21 VAL D 63 4.632 -9.462 -5.741 1.00 0.00 H new ATOM 0 HG22 VAL D 63 2.884 -9.580 -6.054 1.00 0.00 H new ATOM 0 HG23 VAL D 63 4.047 -10.030 -7.323 1.00 0.00 H new ATOM 954 N TYR D 64 0.740 -6.694 -7.197 1.00 0.00 N ATOM 955 CA TYR D 64 -0.629 -6.670 -6.707 1.00 0.00 C ATOM 956 C TYR D 64 -1.315 -5.359 -7.091 1.00 0.00 C ATOM 957 O TYR D 64 -0.752 -4.280 -6.900 1.00 0.00 O ATOM 958 CB TYR D 64 -0.662 -6.839 -5.188 1.00 0.00 C ATOM 959 CG TYR D 64 -2.067 -6.934 -4.633 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.979 -7.839 -5.161 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.490 -6.110 -3.597 1.00 0.00 C ATOM 962 CE1 TYR D 64 -4.268 -7.920 -4.673 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.774 -6.187 -3.105 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.660 -7.092 -3.645 1.00 0.00 C ATOM 965 OH TYR D 64 -5.943 -7.168 -3.159 1.00 0.00 O ATOM 0 H TYR D 64 1.165 -5.773 -7.303 1.00 0.00 H new ATOM 0 HA TYR D 64 -1.164 -7.500 -7.168 1.00 0.00 H new ATOM 0 HB2 TYR D 64 -0.108 -7.738 -4.916 1.00 0.00 H new ATOM 0 HB3 TYR D 64 -0.150 -5.996 -4.723 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -2.675 -8.490 -5.967 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -1.800 -5.397 -3.170 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -4.965 -8.629 -5.095 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -4.085 -5.540 -2.298 1.00 0.00 H new ATOM 0 HH TYR D 64 -6.279 -8.083 -3.263 1.00 0.00 H new ATOM 975 N THR D 65 -2.550 -5.459 -7.571 1.00 0.00 N ATOM 976 CA THR D 65 -3.339 -4.282 -7.910 1.00 0.00 C ATOM 977 C THR D 65 -4.633 -4.258 -7.102 1.00 0.00 C ATOM 978 O THR D 65 -5.414 -5.213 -7.135 1.00 0.00 O ATOM 979 CB THR D 65 -3.638 -4.260 -9.393 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.436 -4.248 -10.144 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.477 -3.078 -9.849 1.00 0.00 C ATOM 0 H THR D 65 -3.027 -6.346 -7.734 1.00 0.00 H new ATOM 0 HA THR D 65 -2.762 -3.392 -7.660 1.00 0.00 H new ATOM 0 HB THR D 65 -4.217 -5.166 -9.569 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.648 -4.236 -11.101 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.643 -3.143 -10.924 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.437 -3.092 -9.333 1.00 0.00 H new ATOM 0 HG23 THR D 65 -3.954 -2.150 -9.618 1.00 0.00 H new ATOM 989 N PHE D 66 -4.876 -3.156 -6.404 1.00 0.00 N ATOM 990 CA PHE D 66 -6.101 -3.002 -5.626 1.00 0.00 C ATOM 991 C PHE D 66 -6.731 -1.655 -5.896 1.00 0.00 C ATOM 992 O PHE D 66 -6.064 -0.718 -6.316 1.00 0.00 O ATOM 993 CB PHE D 66 -5.841 -3.216 -4.130 1.00 0.00 C ATOM 994 CG PHE D 66 -4.865 -2.273 -3.467 1.00 0.00 C ATOM 995 CD1 PHE D 66 -3.617 -2.726 -3.063 1.00 0.00 C ATOM 996 CD2 PHE D 66 -5.214 -0.960 -3.191 1.00 0.00 C ATOM 997 CE1 PHE D 66 -2.736 -1.886 -2.408 1.00 0.00 C ATOM 998 CE2 PHE D 66 -4.333 -0.115 -2.541 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.092 -0.579 -2.149 1.00 0.00 C ATOM 0 H PHE D 66 -4.244 -2.357 -6.360 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.806 -3.772 -5.940 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.794 -3.143 -3.606 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.478 -4.234 -3.990 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -3.330 -3.748 -3.263 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -6.185 -0.593 -3.487 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -1.769 -2.253 -2.099 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -4.615 0.908 -2.340 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.403 0.080 -1.641 1.00 0.00 H new ATOM 1009 N ASN D 67 -8.027 -1.572 -5.705 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.748 -0.340 -5.964 1.00 0.00 C ATOM 1011 C ASN D 67 -9.286 0.203 -4.663 1.00 0.00 C ATOM 1012 O ASN D 67 -9.689 -0.571 -3.804 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.904 -0.577 -6.943 1.00 0.00 C ATOM 1014 CG ASN D 67 -9.450 -0.981 -8.336 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -10.278 -1.236 -9.206 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -8.145 -1.024 -8.567 1.00 0.00 N ATOM 0 H ASN D 67 -8.607 -2.342 -5.371 1.00 0.00 H new ATOM 0 HA ASN D 67 -8.063 0.379 -6.413 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -10.554 -1.355 -6.542 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -10.501 0.332 -7.014 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -7.799 -1.275 -9.493 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -7.487 -0.806 -7.819 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.334 1.523 -4.518 1.00 0.00 N ATOM 1024 CA GLU D 68 -9.884 2.103 -3.302 1.00 0.00 C ATOM 1025 C GLU D 68 -11.409 2.011 -3.310 1.00 0.00 C ATOM 1026 O GLU D 68 -12.048 2.099 -2.260 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.428 3.544 -3.090 1.00 0.00 C ATOM 1028 CG GLU D 68 -7.918 3.731 -3.065 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.515 5.084 -2.511 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -7.960 6.110 -3.059 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -6.760 5.122 -1.524 1.00 0.00 O1- ATOM 0 H GLU D 68 -9.007 2.197 -5.210 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.500 1.523 -2.463 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -9.845 4.164 -3.883 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -9.842 3.908 -2.150 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.467 2.944 -2.461 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -7.524 3.622 -4.075 1.00 0.00 H new ATOM 1038 N LYS D 69 -11.951 1.610 -4.463 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.356 1.228 -4.561 1.00 0.00 C ATOM 1040 C LYS D 69 -13.557 0.013 -3.699 1.00 0.00 C ATOM 1041 O LYS D 69 -14.315 0.016 -2.726 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.692 0.817 -5.983 1.00 0.00 C ATOM 1043 CG LYS D 69 -13.323 1.849 -7.009 1.00 0.00 C ATOM 1044 CD LYS D 69 -13.736 1.414 -8.408 1.00 0.00 C ATOM 1045 CE LYS D 69 -13.099 0.088 -8.802 1.00 0.00 C ATOM 1046 NZ LYS D 69 -13.501 -0.347 -10.165 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.435 1.543 -5.340 1.00 0.00 H new ATOM 0 HA LYS D 69 -13.981 2.068 -4.257 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -13.176 -0.115 -6.215 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.761 0.615 -6.051 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.804 2.796 -6.764 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -12.247 2.022 -6.983 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -14.821 1.323 -8.454 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -13.449 2.182 -9.126 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -12.014 0.181 -8.758 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -13.383 -0.678 -8.080 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -13.043 -1.253 -10.389 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -14.534 -0.462 -10.202 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -13.208 0.370 -10.859 1.00 0.00 H new ATOM 1060 N SER D 70 -12.738 -0.976 -4.018 1.00 0.00 N ATOM 1061 CA SER D 70 -12.628 -2.184 -3.254 1.00 0.00 C ATOM 1062 C SER D 70 -12.250 -1.843 -1.825 1.00 0.00 C ATOM 1063 O SER D 70 -11.222 -1.212 -1.583 1.00 0.00 O ATOM 1064 CB SER D 70 -11.579 -3.079 -3.900 1.00 0.00 C ATOM 1065 OG SER D 70 -11.924 -3.372 -5.247 1.00 0.00 O ATOM 0 H SER D 70 -12.124 -0.950 -4.832 1.00 0.00 H new ATOM 0 HA SER D 70 -13.580 -2.714 -3.237 1.00 0.00 H new ATOM 0 HB2 SER D 70 -10.606 -2.588 -3.868 1.00 0.00 H new ATOM 0 HB3 SER D 70 -11.487 -4.006 -3.334 1.00 0.00 H new ATOM 0 HG SER D 70 -11.236 -3.946 -5.643 1.00 0.00 H new ATOM 1071 N THR D 71 -13.127 -2.195 -0.901 1.00 0.00 N ATOM 1072 CA THR D 71 -12.947 -1.874 0.498 1.00 0.00 C ATOM 1073 C THR D 71 -11.542 -2.236 0.956 1.00 0.00 C ATOM 1074 O THR D 71 -11.129 -3.393 0.830 1.00 0.00 O ATOM 1075 CB THR D 71 -13.981 -2.630 1.310 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.835 -4.034 1.156 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.404 -2.284 0.925 1.00 0.00 C ATOM 0 H THR D 71 -13.983 -2.711 -1.103 1.00 0.00 H new ATOM 0 HA THR D 71 -13.078 -0.802 0.644 1.00 0.00 H new ATOM 0 HB THR D 71 -13.803 -2.329 2.342 1.00 0.00 H new ATOM 0 HG1 THR D 71 -12.903 -4.244 0.936 1.00 0.00 H new ATOM 0 HG21 THR D 71 -16.097 -2.857 1.541 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.575 -1.219 1.082 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.566 -2.527 -0.125 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.767 -1.232 1.380 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.384 -1.441 1.727 1.00 0.00 C ATOM 1087 C VAL D 72 -9.247 -2.488 2.824 1.00 0.00 C ATOM 1088 O VAL D 72 -8.169 -3.021 3.050 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.648 -0.148 2.138 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.355 -0.064 1.356 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.490 1.102 1.888 1.00 0.00 C ATOM 0 H VAL D 72 -11.088 -0.270 1.487 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.905 -1.801 0.817 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.452 -0.189 3.209 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -6.820 0.844 1.633 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.736 -0.932 1.582 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -7.576 -0.043 0.289 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -8.929 1.985 2.193 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -9.730 1.173 0.827 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.413 1.041 2.465 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.374 -2.834 3.433 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.414 -3.875 4.422 1.00 0.00 C ATOM 1103 C GLY D 73 -10.305 -5.245 3.821 1.00 0.00 C ATOM 1104 O GLY D 73 -9.364 -5.984 4.102 1.00 0.00 O ATOM 0 H GLY D 73 -11.276 -2.396 3.248 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -9.600 -3.728 5.132 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.345 -3.802 4.984 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.272 -5.575 2.974 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.291 -6.867 2.302 1.00 0.00 C ATOM 1110 C ASN D 74 -10.045 -7.017 1.445 1.00 0.00 C ATOM 1111 O ASN D 74 -9.518 -8.114 1.295 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.566 -6.990 1.447 1.00 0.00 C ATOM 1113 CG ASN D 74 -12.759 -8.361 0.818 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -11.914 -8.842 0.066 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -13.895 -8.990 1.095 1.00 0.00 N ATOM 0 H ASN D 74 -12.054 -4.965 2.736 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.297 -7.666 3.044 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -13.432 -6.762 2.069 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.535 -6.240 0.657 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -14.088 -9.901 0.679 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -14.575 -8.562 1.724 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.518 -5.890 0.985 1.00 0.00 N ATOM 1123 CA ILE D 75 -8.265 -5.882 0.242 1.00 0.00 C ATOM 1124 C ILE D 75 -7.065 -6.102 1.151 1.00 0.00 C ATOM 1125 O ILE D 75 -6.121 -6.784 0.782 1.00 0.00 O ATOM 1126 CB ILE D 75 -8.084 -4.564 -0.503 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -9.130 -4.430 -1.615 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.678 -4.434 -1.058 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -9.068 -5.549 -2.631 1.00 0.00 C ATOM 0 H ILE D 75 -9.939 -4.970 1.113 1.00 0.00 H new ATOM 0 HA ILE D 75 -8.320 -6.705 -0.471 1.00 0.00 H new ATOM 0 HB ILE D 75 -8.232 -3.750 0.207 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -10.124 -4.408 -1.169 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -8.988 -3.477 -2.125 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.581 -3.484 -1.584 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.959 -4.471 -0.240 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.483 -5.253 -1.750 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.834 -5.394 -3.390 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -8.086 -5.558 -3.103 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -9.239 -6.503 -2.132 1.00 0.00 H new ATOM 1141 N SER D 76 -7.071 -5.483 2.316 1.00 0.00 N ATOM 1142 CA SER D 76 -5.939 -5.597 3.222 1.00 0.00 C ATOM 1143 C SER D 76 -5.892 -6.965 3.866 1.00 0.00 C ATOM 1144 O SER D 76 -4.806 -7.479 4.134 1.00 0.00 O ATOM 1145 CB SER D 76 -5.972 -4.494 4.272 1.00 0.00 C ATOM 1146 OG SER D 76 -4.954 -4.662 5.233 1.00 0.00 O ATOM 0 H SER D 76 -7.837 -4.902 2.657 1.00 0.00 H new ATOM 0 HA SER D 76 -5.027 -5.476 2.638 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.858 -3.525 3.786 1.00 0.00 H new ATOM 0 HB3 SER D 76 -6.943 -4.491 4.767 1.00 0.00 H new ATOM 0 HG SER D 76 -5.306 -5.163 5.998 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.023 -7.654 3.854 1.00 0.00 N ATOM 1153 CA ASN D 77 -6.998 -9.067 4.158 1.00 0.00 C ATOM 1154 C ASN D 77 -6.141 -9.750 3.110 1.00 0.00 C ATOM 1155 O ASN D 77 -5.250 -10.524 3.441 1.00 0.00 O ATOM 1156 CB ASN D 77 -8.404 -9.674 4.167 1.00 0.00 C ATOM 1157 CG ASN D 77 -9.263 -9.140 5.294 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -10.412 -8.586 4.948 1.00 0.00 O flip ATOM 1159 ND2 ASN D 77 -8.901 -9.239 6.465 1.00 0.00 N flip ATOM 0 H ASN D 77 -7.943 -7.267 3.643 1.00 0.00 H new ATOM 0 HA ASN D 77 -6.585 -9.213 5.156 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -8.891 -9.466 3.214 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -8.327 -10.758 4.256 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -8.006 -9.674 6.687 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -9.496 -8.886 7.214 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.346 -9.349 1.852 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.525 -9.821 0.738 1.00 0.00 C ATOM 1168 C ASP D 78 -4.076 -9.396 0.850 1.00 0.00 C ATOM 1169 O ASP D 78 -3.195 -10.090 0.362 1.00 0.00 O ATOM 1170 CB ASP D 78 -6.066 -9.367 -0.620 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.336 -10.082 -1.008 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -8.322 -9.999 -0.260 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -7.350 -10.733 -2.066 1.00 0.00 O1- ATOM 0 H ASP D 78 -7.079 -8.694 1.581 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.576 -10.908 0.800 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.252 -8.293 -0.592 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.308 -9.539 -1.385 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.817 -8.221 1.379 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.454 -7.737 1.386 1.00 0.00 C ATOM 1180 C ILE D 79 -1.618 -8.513 2.398 1.00 0.00 C ATOM 1181 O ILE D 79 -0.424 -8.736 2.188 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.377 -6.211 1.647 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.284 -5.481 0.657 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -0.946 -5.713 1.476 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -3.369 -3.989 0.877 1.00 0.00 C ATOM 0 H ILE D 79 -4.508 -7.599 1.798 1.00 0.00 H new ATOM 0 HA ILE D 79 -2.040 -7.906 0.392 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.702 -6.013 2.668 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -2.923 -5.668 -0.354 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -4.287 -5.904 0.721 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.909 -4.640 1.663 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.295 -6.227 2.183 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.609 -5.916 0.459 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -4.032 -3.549 0.132 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -3.760 -3.790 1.875 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.376 -3.550 0.783 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.287 -9.073 3.398 1.00 0.00 N ATOM 1198 CA ASN D 80 -1.643 -9.984 4.317 1.00 0.00 C ATOM 1199 C ASN D 80 -1.493 -11.376 3.701 1.00 0.00 C ATOM 1200 O ASN D 80 -0.619 -12.141 4.112 1.00 0.00 O ATOM 1201 CB ASN D 80 -2.421 -10.044 5.626 1.00 0.00 C ATOM 1202 CG ASN D 80 -2.320 -8.751 6.417 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -1.228 -8.335 6.818 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -3.449 -8.100 6.644 1.00 0.00 N ATOM 0 H ASN D 80 -3.276 -8.908 3.588 1.00 0.00 H new ATOM 0 HA ASN D 80 -0.640 -9.611 4.527 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -3.469 -10.256 5.414 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -2.045 -10.868 6.232 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -3.436 -7.224 7.166 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -4.332 -8.474 6.297 1.00 0.00 H new ATOM 1211 N LYS D 81 -2.232 -11.650 2.616 1.00 0.00 N ATOM 1212 CA LYS D 81 -2.023 -12.892 1.866 1.00 0.00 C ATOM 1213 C LYS D 81 -0.759 -12.723 1.046 1.00 0.00 C ATOM 1214 O LYS D 81 0.237 -13.418 1.230 1.00 0.00 O ATOM 1215 CB LYS D 81 -3.130 -13.203 0.845 1.00 0.00 C ATOM 1216 CG LYS D 81 -4.531 -12.717 1.161 1.00 0.00 C ATOM 1217 CD LYS D 81 -5.070 -13.230 2.480 1.00 0.00 C ATOM 1218 CE LYS D 81 -6.590 -13.174 2.505 1.00 0.00 C ATOM 1219 NZ LYS D 81 -7.146 -13.662 3.793 1.00 0.00 N1+ ATOM 0 H LYS D 81 -2.963 -11.042 2.246 1.00 0.00 H new ATOM 0 HA LYS D 81 -1.992 -13.695 2.602 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -2.834 -12.775 -0.113 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -3.171 -14.284 0.712 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -4.533 -11.627 1.177 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -5.202 -13.025 0.360 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.737 -14.256 2.639 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -4.667 -12.634 3.299 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -6.917 -12.148 2.335 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -6.988 -13.775 1.688 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -8.184 -13.606 3.766 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -6.856 -14.649 3.945 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -6.788 -13.073 4.571 1.00 0.00 H new ATOM 1233 N LEU D 82 -0.861 -11.772 0.117 1.00 0.00 N ATOM 1234 CA LEU D 82 0.190 -11.413 -0.820 1.00 0.00 C ATOM 1235 C LEU D 82 1.547 -11.251 -0.142 1.00 0.00 C ATOM 1236 O LEU D 82 2.574 -11.606 -0.722 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.223 -10.135 -1.528 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.243 -10.325 -2.661 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.569 -10.912 -3.888 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.406 -11.219 -2.262 1.00 0.00 C ATOM 0 H LEU D 82 -1.707 -11.216 -0.003 1.00 0.00 H new ATOM 0 HA LEU D 82 0.312 -12.223 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -0.642 -9.448 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.668 -9.659 -1.937 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.642 -9.335 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -1.305 -11.040 -4.681 1.00 0.00 H new ATOM 0 HD12 LEU D 82 0.217 -10.238 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU D 82 -0.134 -11.879 -3.637 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -3.094 -11.317 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -2.030 -12.204 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -2.929 -10.778 -1.413 1.00 0.00 H new ATOM 1252 N ASN D 83 1.522 -10.817 1.124 1.00 0.00 N ATOM 1253 CA ASN D 83 2.728 -10.716 1.955 1.00 0.00 C ATOM 1254 C ASN D 83 3.868 -10.063 1.171 1.00 0.00 C ATOM 1255 O ASN D 83 4.900 -10.688 0.917 1.00 0.00 O ATOM 1256 CB ASN D 83 3.137 -12.119 2.435 1.00 0.00 C ATOM 1257 CG ASN D 83 4.281 -12.127 3.438 1.00 0.00 C ATOM 1258 OD1 ASN D 83 4.709 -10.957 3.890 1.00 0.00 O flip ATOM 1259 ND2 ASN D 83 4.758 -13.191 3.824 1.00 0.00 N flip ATOM 0 H ASN D 83 0.668 -10.527 1.600 1.00 0.00 H new ATOM 0 HA ASN D 83 2.514 -10.090 2.821 1.00 0.00 H new ATOM 0 HB2 ASN D 83 2.271 -12.603 2.885 1.00 0.00 H new ATOM 0 HB3 ASN D 83 3.423 -12.717 1.570 1.00 0.00 H new ATOM 0 HD21 ASN D 83 4.403 -14.073 3.454 1.00 0.00 H new ATOM 0 HD22 ASN D 83 5.509 -13.193 4.515 1.00 0.00 H new ATOM 1266 N ILE D 84 3.630 -8.853 0.682 1.00 0.00 N ATOM 1267 CA ILE D 84 4.592 -8.202 -0.190 1.00 0.00 C ATOM 1268 C ILE D 84 5.684 -7.507 0.610 1.00 0.00 C ATOM 1269 O ILE D 84 5.533 -6.354 1.019 1.00 0.00 O ATOM 1270 CB ILE D 84 3.913 -7.180 -1.125 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.781 -7.840 -1.915 1.00 0.00 C ATOM 1272 CG2 ILE D 84 4.931 -6.577 -2.085 1.00 0.00 C ATOM 1273 CD1 ILE D 84 3.242 -8.979 -2.799 1.00 0.00 C ATOM 0 H ILE D 84 2.788 -8.309 0.873 1.00 0.00 H new ATOM 0 HA ILE D 84 5.042 -8.987 -0.798 1.00 0.00 H new ATOM 0 HB ILE D 84 3.493 -6.385 -0.509 1.00 0.00 H new ATOM 0 HG12 ILE D 84 2.032 -8.213 -1.217 1.00 0.00 H new ATOM 0 HG13 ILE D 84 2.293 -7.086 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE D 84 4.435 -5.858 -2.737 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.712 -6.072 -1.517 1.00 0.00 H new ATOM 0 HG23 ILE D 84 5.375 -7.368 -2.689 1.00 0.00 H new ATOM 0 HD11 ILE D 84 2.386 -9.398 -3.328 1.00 0.00 H new ATOM 0 HD12 ILE D 84 3.969 -8.608 -3.521 1.00 0.00 H new ATOM 0 HD13 ILE D 84 3.703 -9.752 -2.185 1.00 0.00 H new ATOM 1285 N LYS D 85 6.817 -8.172 0.762 1.00 0.00 N ATOM 1286 CA LYS D 85 7.942 -7.565 1.434 1.00 0.00 C ATOM 1287 C LYS D 85 9.225 -7.927 0.693 1.00 0.00 C ATOM 1288 O LYS D 85 9.853 -8.951 0.974 1.00 0.00 O ATOM 1289 CB LYS D 85 8.007 -8.042 2.892 1.00 0.00 C ATOM 1290 CG LYS D 85 8.552 -6.990 3.842 1.00 0.00 C ATOM 1291 CD LYS D 85 9.930 -6.513 3.419 1.00 0.00 C ATOM 1292 CE LYS D 85 10.390 -5.311 4.227 1.00 0.00 C ATOM 1293 NZ LYS D 85 9.493 -4.133 4.043 1.00 0.00 N1+ ATOM 0 H LYS D 85 6.977 -9.123 0.431 1.00 0.00 H new ATOM 0 HA LYS D 85 7.825 -6.481 1.436 1.00 0.00 H new ATOM 0 HB2 LYS D 85 7.008 -8.333 3.217 1.00 0.00 H new ATOM 0 HB3 LYS D 85 8.633 -8.933 2.949 1.00 0.00 H new ATOM 0 HG2 LYS D 85 7.868 -6.142 3.877 1.00 0.00 H new ATOM 0 HG3 LYS D 85 8.603 -7.401 4.850 1.00 0.00 H new ATOM 0 HD2 LYS D 85 10.647 -7.325 3.538 1.00 0.00 H new ATOM 0 HD3 LYS D 85 9.915 -6.254 2.360 1.00 0.00 H new ATOM 0 HE2 LYS D 85 10.426 -5.577 5.283 1.00 0.00 H new ATOM 0 HE3 LYS D 85 11.404 -5.043 3.932 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 9.986 -3.270 4.348 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 9.234 -4.047 3.039 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 8.632 -4.260 4.613 1.00 0.00 H new ATOM 1307 N GLY D 86 9.617 -7.056 -0.225 1.00 0.00 N ATOM 1308 CA GLY D 86 10.835 -7.246 -0.986 1.00 0.00 C ATOM 1309 C GLY D 86 10.734 -8.340 -2.021 1.00 0.00 C ATOM 1310 O GLY D 86 9.960 -9.286 -1.870 1.00 0.00 O ATOM 0 H GLY D 86 9.103 -6.207 -0.459 1.00 0.00 H new ATOM 0 HA2 GLY D 86 11.094 -6.310 -1.482 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.650 -7.479 -0.300 1.00 0.00 H new ATOM 1314 N PRO D 87 11.511 -8.229 -3.104 1.00 0.00 N ATOM 1315 CA PRO D 87 12.442 -7.117 -3.316 1.00 0.00 C ATOM 1316 C PRO D 87 11.810 -5.933 -4.061 1.00 0.00 C ATOM 1317 O PRO D 87 10.641 -6.003 -4.418 1.00 0.00 O ATOM 1318 CB PRO D 87 13.512 -7.787 -4.159 1.00 0.00 C ATOM 1319 CG PRO D 87 12.768 -8.755 -5.014 1.00 0.00 C ATOM 1320 CD PRO D 87 11.558 -9.195 -4.215 1.00 0.00 C ATOM 0 HA PRO D 87 12.797 -6.672 -2.386 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.053 -7.059 -4.763 1.00 0.00 H new ATOM 0 HB3 PRO D 87 14.248 -8.294 -3.535 1.00 0.00 H new ATOM 0 HG2 PRO D 87 12.465 -8.290 -5.952 1.00 0.00 H new ATOM 0 HG3 PRO D 87 13.396 -9.609 -5.269 1.00 0.00 H new ATOM 0 HD2 PRO D 87 10.648 -9.163 -4.814 1.00 0.00 H new ATOM 0 HD3 PRO D 87 11.666 -10.218 -3.854 1.00 0.00 H new ATOM 1328 N TYR D 88 12.618 -4.868 -4.278 1.00 0.00 N ATOM 1329 CA TYR D 88 12.214 -3.621 -4.987 1.00 0.00 C ATOM 1330 C TYR D 88 10.711 -3.354 -4.947 1.00 0.00 C ATOM 1331 O TYR D 88 9.964 -3.906 -5.745 1.00 0.00 O ATOM 1332 CB TYR D 88 12.665 -3.653 -6.455 1.00 0.00 C ATOM 1333 CG TYR D 88 14.166 -3.627 -6.664 1.00 0.00 C ATOM 1334 CD1 TYR D 88 14.999 -4.544 -6.041 1.00 0.00 C ATOM 1335 CD2 TYR D 88 14.746 -2.674 -7.490 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.365 -4.516 -6.236 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.112 -2.638 -7.691 1.00 0.00 C ATOM 1338 CZ TYR D 88 16.917 -3.560 -7.061 1.00 0.00 C ATOM 1339 OH TYR D 88 18.279 -3.528 -7.258 1.00 0.00 O ATOM 0 H TYR D 88 13.587 -4.847 -3.961 1.00 0.00 H new ATOM 0 HA TYR D 88 12.711 -2.813 -4.450 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.263 -4.552 -6.923 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.226 -2.800 -6.973 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.571 -5.293 -5.392 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.118 -1.948 -7.984 1.00 0.00 H new ATOM 0 HE1 TYR D 88 16.998 -5.240 -5.744 1.00 0.00 H new ATOM 0 HE2 TYR D 88 16.546 -1.891 -8.339 1.00 0.00 H new ATOM 0 HH TYR D 88 18.702 -3.016 -6.538 1.00 0.00 H new ATOM 1349 N ILE D 89 10.263 -2.573 -3.976 1.00 0.00 N ATOM 1350 CA ILE D 89 8.835 -2.347 -3.794 1.00 0.00 C ATOM 1351 C ILE D 89 8.438 -0.946 -4.189 1.00 0.00 C ATOM 1352 O ILE D 89 8.886 0.032 -3.598 1.00 0.00 O ATOM 1353 CB ILE D 89 8.395 -2.575 -2.330 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.931 -3.907 -1.819 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.884 -2.557 -2.217 1.00 0.00 C ATOM 1356 CD1 ILE D 89 10.376 -3.845 -1.369 1.00 0.00 C ATOM 0 H ILE D 89 10.861 -2.088 -3.306 1.00 0.00 H new ATOM 0 HA ILE D 89 8.336 -3.069 -4.441 1.00 0.00 H new ATOM 0 HB ILE D 89 8.803 -1.767 -1.723 1.00 0.00 H new ATOM 0 HG12 ILE D 89 8.313 -4.242 -0.986 1.00 0.00 H new ATOM 0 HG13 ILE D 89 8.836 -4.654 -2.607 1.00 0.00 H new ATOM 0 HG21 ILE D 89 6.595 -2.719 -1.179 1.00 0.00 H new ATOM 0 HG22 ILE D 89 6.506 -1.591 -2.552 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.463 -3.347 -2.839 1.00 0.00 H new ATOM 0 HD11 ILE D 89 10.690 -4.828 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE D 89 11.005 -3.540 -2.206 1.00 0.00 H new ATOM 0 HD13 ILE D 89 10.474 -3.122 -0.559 1.00 0.00 H new ATOM 1368 N GLU D 90 7.466 -0.875 -5.071 1.00 0.00 N ATOM 1369 CA GLU D 90 6.850 0.402 -5.418 1.00 0.00 C ATOM 1370 C GLU D 90 5.358 0.389 -5.093 1.00 0.00 C ATOM 1371 O GLU D 90 4.528 0.036 -5.924 1.00 0.00 O ATOM 1372 CB GLU D 90 7.081 0.744 -6.894 1.00 0.00 C ATOM 1373 CG GLU D 90 8.543 0.961 -7.263 1.00 0.00 C ATOM 1374 CD GLU D 90 9.139 2.204 -6.636 1.00 0.00 C ATOM 1375 OE1 GLU D 90 9.199 2.288 -5.393 1.00 0.00 O ATOM 1376 OE2 GLU D 90 9.546 3.105 -7.394 1.00 0.00 O1- ATOM 0 H GLU D 90 7.080 -1.680 -5.564 1.00 0.00 H new ATOM 0 HA GLU D 90 7.325 1.177 -4.816 1.00 0.00 H new ATOM 0 HB2 GLU D 90 6.678 -0.061 -7.509 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.518 1.645 -7.139 1.00 0.00 H new ATOM 0 HG2 GLU D 90 9.122 0.092 -6.952 1.00 0.00 H new ATOM 0 HG3 GLU D 90 8.631 1.031 -8.347 1.00 0.00 H new ATOM 1383 N ILE D 91 5.041 0.787 -3.875 1.00 0.00 N ATOM 1384 CA ILE D 91 3.669 0.856 -3.388 1.00 0.00 C ATOM 1385 C ILE D 91 3.125 2.281 -3.547 1.00 0.00 C ATOM 1386 O ILE D 91 3.425 3.160 -2.734 1.00 0.00 O ATOM 1387 CB ILE D 91 3.624 0.412 -1.898 1.00 0.00 C ATOM 1388 CG1 ILE D 91 3.976 -1.065 -1.766 1.00 0.00 C ATOM 1389 CG2 ILE D 91 2.287 0.678 -1.238 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.827 -1.594 -0.355 1.00 0.00 C ATOM 0 H ILE D 91 5.735 1.076 -3.185 1.00 0.00 H new ATOM 0 HA ILE D 91 3.041 0.185 -3.974 1.00 0.00 H new ATOM 0 HB ILE D 91 4.367 1.018 -1.379 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.337 -1.644 -2.433 1.00 0.00 H new ATOM 0 HG13 ILE D 91 5.003 -1.217 -2.097 1.00 0.00 H new ATOM 0 HG21 ILE D 91 2.321 0.346 -0.200 1.00 0.00 H new ATOM 0 HG22 ILE D 91 2.071 1.746 -1.270 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.505 0.134 -1.768 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.093 -2.651 -0.333 1.00 0.00 H new ATOM 0 HD12 ILE D 91 4.486 -1.039 0.313 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.794 -1.473 -0.028 1.00 0.00 H new ATOM 1402 N LYS D 92 2.314 2.513 -4.587 1.00 0.00 N ATOM 1403 CA LYS D 92 1.732 3.838 -4.808 1.00 0.00 C ATOM 1404 C LYS D 92 0.540 3.740 -5.758 1.00 0.00 C ATOM 1405 O LYS D 92 0.367 2.729 -6.444 1.00 0.00 O ATOM 1406 CB LYS D 92 2.788 4.811 -5.375 1.00 0.00 C ATOM 1407 CG LYS D 92 2.846 4.897 -6.901 1.00 0.00 C ATOM 1408 CD LYS D 92 3.096 3.560 -7.587 1.00 0.00 C ATOM 1409 CE LYS D 92 2.911 3.691 -9.092 1.00 0.00 C ATOM 1410 NZ LYS D 92 3.745 4.782 -9.660 1.00 0.00 N1+ ATOM 0 H LYS D 92 2.050 1.811 -5.278 1.00 0.00 H new ATOM 0 HA LYS D 92 1.388 4.226 -3.849 1.00 0.00 H new ATOM 0 HB2 LYS D 92 2.590 5.807 -4.979 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.769 4.511 -5.007 1.00 0.00 H new ATOM 0 HG2 LYS D 92 1.907 5.312 -7.267 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.635 5.593 -7.186 1.00 0.00 H new ATOM 0 HD2 LYS D 92 4.106 3.215 -7.367 1.00 0.00 H new ATOM 0 HD3 LYS D 92 2.410 2.809 -7.194 1.00 0.00 H new ATOM 0 HE2 LYS D 92 3.170 2.748 -9.573 1.00 0.00 H new ATOM 0 HE3 LYS D 92 1.861 3.884 -9.313 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 3.736 4.721 -10.698 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 3.361 5.702 -9.364 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 4.722 4.687 -9.316 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.206 4.830 -5.900 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.269 4.864 -6.891 1.00 0.00 C ATOM 1426 C GLN D 93 -0.716 5.166 -8.271 1.00 0.00 C ATOM 1427 O GLN D 93 0.435 5.561 -8.429 1.00 0.00 O ATOM 1428 CB GLN D 93 -2.346 5.870 -6.540 1.00 0.00 C ATOM 1429 CG GLN D 93 -1.798 7.261 -6.324 1.00 0.00 C ATOM 1430 CD GLN D 93 -2.862 8.262 -5.922 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -3.516 8.113 -4.889 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -3.040 9.288 -6.739 1.00 0.00 N ATOM 0 H GLN D 93 -0.097 5.684 -5.353 1.00 0.00 H new ATOM 0 HA GLN D 93 -1.723 3.873 -6.895 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.087 5.896 -7.339 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -2.862 5.543 -5.637 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -1.029 7.227 -5.552 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -1.315 7.601 -7.240 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -2.475 9.371 -7.584 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -3.742 9.996 -6.523 1.00 0.00 H new ATOM 1441 N ILE D 94 -1.509 4.859 -9.266 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.085 4.953 -10.647 1.00 0.00 C ATOM 1443 C ILE D 94 -2.020 5.841 -11.457 1.00 0.00 C ATOM 1444 O ILE D 94 -1.939 5.818 -12.699 1.00 0.00 O ATOM 1445 CB ILE D 94 -1.045 3.551 -11.245 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.370 2.866 -10.955 1.00 0.00 C ATOM 1447 CG2 ILE D 94 0.116 2.750 -10.683 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -2.426 1.423 -11.357 1.00 0.00 C ATOM 1449 OXT ILE D 94 -2.827 6.561 -10.842 1.00 0.00 O ATOM 0 H ILE D 94 -2.469 4.536 -9.145 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.094 5.405 -10.681 1.00 0.00 H new ATOM 0 HB ILE D 94 -0.894 3.618 -12.322 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.577 2.941 -9.887 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -3.164 3.405 -11.472 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.120 1.755 -11.127 1.00 0.00 H new ATOM 0 HG22 ILE D 94 1.053 3.255 -10.916 1.00 0.00 H new ATOM 0 HG23 ILE D 94 0.009 2.665 -9.602 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -3.407 1.015 -11.113 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -2.254 1.337 -12.430 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -1.658 0.866 -10.821 1.00 0.00 H new TER 1461 ILE D 94