USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 567 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: A 50 ASN :FLIP amide:sc= -3.53! F(o=-8.8,f=-7.5!) USER MOD Set 1.2: A 87 ASN : amide:sc= -3.24! C(o=-7.5!,f=-18!) USER MOD Set 1.3: A 89 ASN : amide:sc= -0.753 K(o=-7.5,f=-10!) USER MOD Set 2.1: A 83 SER OG : rot -162:sc= 1.63 USER MOD Set 2.2: A 85 THR OG1 : rot -32:sc= 0.362 USER MOD Set 2.3: A 86 THR OG1 : rot 180:sc= 1.07 USER MOD Set 3.1: A 17 TYR OH : rot 165:sc= 0 USER MOD Set 3.2: A 66 ASN : amide:sc= -2.86 X(o=-2.9,f=-2.5) USER MOD Set 3.3: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 101:sc= 1.01 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0409 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 18:sc= 0.843 USER MOD Single : A 25 SER OG : rot 180:sc= 0.237 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0536 K(o=-0.054,f=-1.7!) USER MOD Single : A 41 THR OG1 : rot -168:sc= -3.36! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.478 K(o=-0.48,f=-3.6!) USER MOD Single : A 53 LYS NZ :NH3+ -126:sc= -0.0438 (180deg=-1.03) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -3.97 K(o=-4,f=-5.2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0814 USER MOD Single : A 90 THR OG1 : rot 4:sc= 0.272 USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 2.587 -1.983 -2.819 1.00 52.31 N ATOM 12 CA ILE A 2 3.089 -3.247 -3.344 1.00 12.44 C ATOM 13 C ILE A 2 4.365 -3.038 -4.152 1.00 21.23 C ATOM 14 O ILE A 2 4.851 -1.915 -4.285 1.00 62.21 O ATOM 15 CB ILE A 2 2.041 -3.944 -4.231 1.00 52.11 C ATOM 16 CG1 ILE A 2 1.792 -3.128 -5.501 1.00 51.21 C ATOM 17 CG2 ILE A 2 0.744 -4.145 -3.461 1.00 41.52 C ATOM 18 CD1 ILE A 2 0.784 -3.758 -6.437 1.00 21.24 C ATOM 0 HA ILE A 2 3.306 -3.882 -2.485 1.00 12.44 H new ATOM 0 HB ILE A 2 2.424 -4.923 -4.520 1.00 52.11 H new ATOM 0 HG12 ILE A 2 1.444 -2.134 -5.222 1.00 51.21 H new ATOM 0 HG13 ILE A 2 2.736 -2.998 -6.031 1.00 51.21 H new ATOM 0 HG21 ILE A 2 0.013 -4.639 -4.102 1.00 41.52 H new ATOM 0 HG22 ILE A 2 0.934 -4.763 -2.584 1.00 41.52 H new ATOM 0 HG23 ILE A 2 0.354 -3.177 -3.145 1.00 41.52 H new ATOM 0 HD11 ILE A 2 0.658 -3.125 -7.315 1.00 21.24 H new ATOM 0 HD12 ILE A 2 1.139 -4.741 -6.746 1.00 21.24 H new ATOM 0 HD13 ILE A 2 -0.172 -3.863 -5.925 1.00 21.24 H new ATOM 30 N SER A 3 4.902 -4.128 -4.691 1.00 23.03 N ATOM 31 CA SER A 3 6.124 -4.066 -5.485 1.00 13.52 C ATOM 32 C SER A 3 5.800 -3.942 -6.971 1.00 30.43 C ATOM 33 O SER A 3 5.239 -4.858 -7.574 1.00 12.42 O ATOM 34 CB SER A 3 6.981 -5.309 -5.239 1.00 50.34 C ATOM 35 OG SER A 3 7.512 -5.311 -3.925 1.00 52.25 O ATOM 0 H SER A 3 4.510 -5.065 -4.592 1.00 23.03 H new ATOM 0 HA SER A 3 6.683 -3.182 -5.178 1.00 13.52 H new ATOM 0 HB2 SER A 3 6.380 -6.205 -5.393 1.00 50.34 H new ATOM 0 HB3 SER A 3 7.795 -5.343 -5.963 1.00 50.34 H new ATOM 0 HG SER A 3 8.054 -6.116 -3.793 1.00 52.25 H new ATOM 41 N CYS A 4 6.158 -2.804 -7.555 1.00 71.03 N ATOM 42 CA CYS A 4 5.906 -2.558 -8.970 1.00 62.31 C ATOM 43 C CYS A 4 6.465 -3.691 -9.827 1.00 3.43 C ATOM 44 O CYS A 4 5.931 -4.001 -10.890 1.00 54.23 O ATOM 45 CB CYS A 4 6.528 -1.227 -9.396 1.00 52.14 C ATOM 46 SG CYS A 4 5.831 -0.539 -10.932 1.00 55.33 S ATOM 0 H CYS A 4 6.624 -2.037 -7.070 1.00 71.03 H new ATOM 0 HA CYS A 4 4.827 -2.512 -9.119 1.00 62.31 H new ATOM 0 HB2 CYS A 4 6.395 -0.502 -8.593 1.00 52.14 H new ATOM 0 HB3 CYS A 4 7.601 -1.365 -9.526 1.00 52.14 H new ATOM 51 N GLY A 5 7.546 -4.305 -9.354 1.00 51.12 N ATOM 52 CA GLY A 5 8.160 -5.396 -10.089 1.00 13.35 C ATOM 53 C GLY A 5 7.265 -6.617 -10.167 1.00 65.14 C ATOM 54 O GLY A 5 7.351 -7.397 -11.115 1.00 62.23 O ATOM 0 H GLY A 5 8.007 -4.067 -8.476 1.00 51.12 H new ATOM 0 HA2 GLY A 5 8.401 -5.061 -11.098 1.00 13.35 H new ATOM 0 HA3 GLY A 5 9.101 -5.669 -9.611 1.00 13.35 H new ATOM 58 N ALA A 6 6.406 -6.785 -9.168 1.00 13.41 N ATOM 59 CA ALA A 6 5.492 -7.920 -9.128 1.00 50.44 C ATOM 60 C ALA A 6 4.220 -7.628 -9.918 1.00 22.13 C ATOM 61 O ALA A 6 3.507 -8.545 -10.326 1.00 11.22 O ATOM 62 CB ALA A 6 5.152 -8.274 -7.688 1.00 42.33 C ATOM 0 H ALA A 6 6.324 -6.149 -8.375 1.00 13.41 H new ATOM 0 HA ALA A 6 5.989 -8.772 -9.592 1.00 50.44 H new ATOM 0 HB1 ALA A 6 4.469 -9.123 -7.674 1.00 42.33 H new ATOM 0 HB2 ALA A 6 6.065 -8.534 -7.152 1.00 42.33 H new ATOM 0 HB3 ALA A 6 4.678 -7.419 -7.205 1.00 42.33 H new ATOM 68 N VAL A 7 3.941 -6.346 -10.129 1.00 0.31 N ATOM 69 CA VAL A 7 2.755 -5.933 -10.870 1.00 31.51 C ATOM 70 C VAL A 7 2.870 -6.307 -12.343 1.00 72.43 C ATOM 71 O VAL A 7 1.996 -6.976 -12.896 1.00 70.23 O ATOM 72 CB VAL A 7 2.520 -4.416 -10.753 1.00 52.25 C ATOM 73 CG1 VAL A 7 1.250 -4.014 -11.488 1.00 60.03 C ATOM 74 CG2 VAL A 7 2.455 -3.998 -9.292 1.00 40.43 C ATOM 0 H VAL A 7 4.520 -5.575 -9.797 1.00 0.31 H new ATOM 0 HA VAL A 7 1.908 -6.459 -10.430 1.00 31.51 H new ATOM 0 HB VAL A 7 3.359 -3.899 -11.218 1.00 52.25 H new ATOM 0 HG11 VAL A 7 1.100 -2.938 -11.394 1.00 60.03 H new ATOM 0 HG12 VAL A 7 1.341 -4.277 -12.542 1.00 60.03 H new ATOM 0 HG13 VAL A 7 0.398 -4.538 -11.055 1.00 60.03 H new ATOM 0 HG21 VAL A 7 2.288 -2.923 -9.228 1.00 40.43 H new ATOM 0 HG22 VAL A 7 1.636 -4.522 -8.800 1.00 40.43 H new ATOM 0 HG23 VAL A 7 3.394 -4.249 -8.799 1.00 40.43 H new ATOM 84 N THR A 8 3.955 -5.872 -12.976 1.00 51.40 N ATOM 85 CA THR A 8 4.185 -6.160 -14.386 1.00 52.51 C ATOM 86 C THR A 8 4.591 -7.615 -14.591 1.00 54.41 C ATOM 87 O THR A 8 4.198 -8.246 -15.572 1.00 44.13 O ATOM 88 CB THR A 8 5.276 -5.246 -14.975 1.00 64.22 C ATOM 89 OG1 THR A 8 6.538 -5.532 -14.361 1.00 41.14 O ATOM 90 CG2 THR A 8 4.926 -3.781 -14.767 1.00 51.43 C ATOM 0 H THR A 8 4.689 -5.318 -12.534 1.00 51.40 H new ATOM 0 HA THR A 8 3.245 -5.972 -14.905 1.00 52.51 H new ATOM 0 HB THR A 8 5.341 -5.439 -16.046 1.00 64.22 H new ATOM 0 HG1 THR A 8 7.227 -4.948 -14.742 1.00 41.14 H new ATOM 0 HG21 THR A 8 5.711 -3.155 -15.191 1.00 51.43 H new ATOM 0 HG22 THR A 8 3.980 -3.559 -15.260 1.00 51.43 H new ATOM 0 HG23 THR A 8 4.836 -3.576 -13.700 1.00 51.43 H new ATOM 98 N SER A 9 5.378 -8.142 -13.659 1.00 12.43 N ATOM 99 CA SER A 9 5.839 -9.522 -13.739 1.00 62.51 C ATOM 100 C SER A 9 4.659 -10.489 -13.771 1.00 51.32 C ATOM 101 O SER A 9 4.659 -11.461 -14.527 1.00 14.23 O ATOM 102 CB SER A 9 6.748 -9.849 -12.552 1.00 51.24 C ATOM 103 OG SER A 9 8.066 -9.377 -12.774 1.00 54.30 O ATOM 0 H SER A 9 5.710 -7.634 -12.839 1.00 12.43 H new ATOM 0 HA SER A 9 6.405 -9.636 -14.663 1.00 62.51 H new ATOM 0 HB2 SER A 9 6.344 -9.398 -11.646 1.00 51.24 H new ATOM 0 HB3 SER A 9 6.767 -10.927 -12.390 1.00 51.24 H new ATOM 0 HG SER A 9 8.202 -8.542 -12.279 1.00 54.30 H new ATOM 109 N ASP A 10 3.655 -10.214 -12.946 1.00 1.23 N ATOM 110 CA ASP A 10 2.467 -11.057 -12.879 1.00 22.11 C ATOM 111 C ASP A 10 1.797 -11.160 -14.245 1.00 74.22 C ATOM 112 O ASP A 10 1.072 -12.117 -14.522 1.00 52.23 O ATOM 113 CB ASP A 10 1.479 -10.502 -11.852 1.00 54.14 C ATOM 114 CG ASP A 10 1.888 -10.815 -10.427 1.00 35.45 C ATOM 115 OD1 ASP A 10 1.145 -10.433 -9.498 1.00 54.22 O ATOM 116 OD2 ASP A 10 2.950 -11.444 -10.239 1.00 51.10 O ATOM 0 H ASP A 10 3.640 -9.414 -12.314 1.00 1.23 H new ATOM 0 HA ASP A 10 2.776 -12.055 -12.570 1.00 22.11 H new ATOM 0 HB2 ASP A 10 1.400 -9.422 -11.975 1.00 54.14 H new ATOM 0 HB3 ASP A 10 0.490 -10.918 -12.043 1.00 54.14 H new ATOM 121 N LEU A 11 2.042 -10.169 -15.095 1.00 60.32 N ATOM 122 CA LEU A 11 1.461 -10.147 -16.433 1.00 62.52 C ATOM 123 C LEU A 11 2.491 -10.559 -17.481 1.00 11.33 C ATOM 124 O LEU A 11 2.317 -10.300 -18.672 1.00 31.44 O ATOM 125 CB LEU A 11 0.920 -8.753 -16.753 1.00 44.22 C ATOM 126 CG LEU A 11 -0.376 -8.357 -16.046 1.00 74.32 C ATOM 127 CD1 LEU A 11 -0.895 -7.033 -16.584 1.00 52.22 C ATOM 128 CD2 LEU A 11 -1.425 -9.448 -16.207 1.00 14.13 C ATOM 0 H LEU A 11 2.639 -9.370 -14.882 1.00 60.32 H new ATOM 0 HA LEU A 11 0.639 -10.863 -16.457 1.00 62.52 H new ATOM 0 HB2 LEU A 11 1.687 -8.021 -16.500 1.00 44.22 H new ATOM 0 HB3 LEU A 11 0.758 -8.686 -17.829 1.00 44.22 H new ATOM 0 HG LEU A 11 -0.166 -8.236 -14.983 1.00 74.32 H new ATOM 0 HD11 LEU A 11 -1.818 -6.768 -16.069 1.00 52.22 H new ATOM 0 HD12 LEU A 11 -0.150 -6.255 -16.417 1.00 52.22 H new ATOM 0 HD13 LEU A 11 -1.090 -7.126 -17.652 1.00 52.22 H new ATOM 0 HD21 LEU A 11 -2.341 -9.150 -15.698 1.00 14.13 H new ATOM 0 HD22 LEU A 11 -1.632 -9.600 -17.266 1.00 14.13 H new ATOM 0 HD23 LEU A 11 -1.054 -10.376 -15.773 1.00 14.13 H new ATOM 140 N SER A 12 3.563 -11.202 -17.029 1.00 33.02 N ATOM 141 CA SER A 12 4.622 -11.648 -17.927 1.00 34.03 C ATOM 142 C SER A 12 4.057 -12.526 -19.039 1.00 35.20 C ATOM 143 O SER A 12 4.175 -12.222 -20.226 1.00 14.50 O ATOM 144 CB SER A 12 5.690 -12.417 -17.147 1.00 70.12 C ATOM 145 OG SER A 12 6.212 -13.487 -17.917 1.00 14.35 O ATOM 0 H SER A 12 3.721 -11.426 -16.046 1.00 33.02 H new ATOM 0 HA SER A 12 5.077 -10.767 -18.379 1.00 34.03 H new ATOM 0 HB2 SER A 12 6.497 -11.740 -16.865 1.00 70.12 H new ATOM 0 HB3 SER A 12 5.261 -12.805 -16.223 1.00 70.12 H new ATOM 0 HG SER A 12 6.894 -13.962 -17.397 1.00 14.35 H new ATOM 151 N PRO A 13 3.427 -13.644 -18.647 1.00 41.01 N ATOM 152 CA PRO A 13 2.830 -14.590 -19.595 1.00 23.04 C ATOM 153 C PRO A 13 1.596 -14.019 -20.284 1.00 34.23 C ATOM 154 O PRO A 13 1.106 -14.578 -21.266 1.00 1.12 O ATOM 155 CB PRO A 13 2.448 -15.781 -18.713 1.00 31.41 C ATOM 156 CG PRO A 13 2.265 -15.203 -17.352 1.00 44.33 C ATOM 157 CD PRO A 13 3.249 -14.070 -17.249 1.00 21.12 C ATOM 0 HA PRO A 13 3.515 -14.844 -20.404 1.00 23.04 H new ATOM 0 HB2 PRO A 13 1.534 -16.258 -19.066 1.00 31.41 H new ATOM 0 HB3 PRO A 13 3.227 -16.543 -18.718 1.00 31.41 H new ATOM 0 HG2 PRO A 13 1.244 -14.847 -17.213 1.00 44.33 H new ATOM 0 HG3 PRO A 13 2.450 -15.952 -16.582 1.00 44.33 H new ATOM 0 HD2 PRO A 13 2.866 -13.260 -16.628 1.00 21.12 H new ATOM 0 HD3 PRO A 13 4.190 -14.394 -16.805 1.00 21.12 H new ATOM 165 N CYS A 14 1.096 -12.903 -19.764 1.00 24.04 N ATOM 166 CA CYS A 14 -0.082 -12.256 -20.328 1.00 45.34 C ATOM 167 C CYS A 14 0.315 -11.249 -21.404 1.00 55.33 C ATOM 168 O CYS A 14 -0.443 -10.996 -22.342 1.00 44.44 O ATOM 169 CB CYS A 14 -0.881 -11.555 -19.228 1.00 71.11 C ATOM 170 SG CYS A 14 -1.549 -12.682 -17.962 1.00 4.12 S ATOM 0 H CYS A 14 1.489 -12.428 -18.952 1.00 24.04 H new ATOM 0 HA CYS A 14 -0.705 -13.025 -20.785 1.00 45.34 H new ATOM 0 HB2 CYS A 14 -0.241 -10.818 -18.742 1.00 71.11 H new ATOM 0 HB3 CYS A 14 -1.706 -11.009 -19.685 1.00 71.11 H new ATOM 175 N LEU A 15 1.505 -10.677 -21.262 1.00 63.42 N ATOM 176 CA LEU A 15 2.003 -9.698 -22.222 1.00 4.24 C ATOM 177 C LEU A 15 1.747 -10.159 -23.653 1.00 5.30 C ATOM 178 O LEU A 15 1.375 -9.363 -24.516 1.00 75.41 O ATOM 179 CB LEU A 15 3.500 -9.462 -22.009 1.00 72.15 C ATOM 180 CG LEU A 15 4.049 -8.131 -22.523 1.00 41.22 C ATOM 181 CD1 LEU A 15 3.308 -6.966 -21.885 1.00 43.12 C ATOM 182 CD2 LEU A 15 5.543 -8.029 -22.250 1.00 73.12 C ATOM 0 H LEU A 15 2.143 -10.874 -20.491 1.00 63.42 H new ATOM 0 HA LEU A 15 1.467 -8.762 -22.061 1.00 4.24 H new ATOM 0 HB2 LEU A 15 3.710 -9.531 -20.942 1.00 72.15 H new ATOM 0 HB3 LEU A 15 4.048 -10.270 -22.494 1.00 72.15 H new ATOM 0 HG LEU A 15 3.893 -8.088 -23.601 1.00 41.22 H new ATOM 0 HD11 LEU A 15 3.712 -6.027 -22.263 1.00 43.12 H new ATOM 0 HD12 LEU A 15 2.248 -7.030 -22.132 1.00 43.12 H new ATOM 0 HD13 LEU A 15 3.432 -7.005 -20.803 1.00 43.12 H new ATOM 0 HD21 LEU A 15 5.917 -7.075 -22.623 1.00 73.12 H new ATOM 0 HD22 LEU A 15 5.722 -8.095 -21.177 1.00 73.12 H new ATOM 0 HD23 LEU A 15 6.062 -8.844 -22.755 1.00 73.12 H new ATOM 194 N THR A 16 1.948 -11.450 -23.898 1.00 42.25 N ATOM 195 CA THR A 16 1.738 -12.017 -25.224 1.00 64.43 C ATOM 196 C THR A 16 0.337 -11.710 -25.739 1.00 12.25 C ATOM 197 O THR A 16 0.171 -11.006 -26.735 1.00 62.34 O ATOM 198 CB THR A 16 1.949 -13.543 -25.222 1.00 33.31 C ATOM 199 OG1 THR A 16 3.298 -13.851 -24.855 1.00 62.31 O ATOM 200 CG2 THR A 16 1.642 -14.134 -26.590 1.00 2.11 C ATOM 0 H THR A 16 2.256 -12.122 -23.195 1.00 42.25 H new ATOM 0 HA THR A 16 2.473 -11.556 -25.884 1.00 64.43 H new ATOM 0 HB THR A 16 1.266 -13.981 -24.494 1.00 33.31 H new ATOM 0 HG1 THR A 16 3.423 -14.823 -24.855 1.00 62.31 H new ATOM 0 HG21 THR A 16 1.798 -15.212 -26.564 1.00 2.11 H new ATOM 0 HG22 THR A 16 0.605 -13.924 -26.853 1.00 2.11 H new ATOM 0 HG23 THR A 16 2.302 -13.690 -27.335 1.00 2.11 H new ATOM 208 N TYR A 17 -0.669 -12.240 -25.053 1.00 35.15 N ATOM 209 CA TYR A 17 -2.058 -12.023 -25.441 1.00 61.35 C ATOM 210 C TYR A 17 -2.424 -10.545 -25.354 1.00 4.30 C ATOM 211 O TYR A 17 -3.237 -10.047 -26.134 1.00 0.34 O ATOM 212 CB TYR A 17 -2.993 -12.845 -24.552 1.00 42.22 C ATOM 213 CG TYR A 17 -4.450 -12.468 -24.695 1.00 72.43 C ATOM 214 CD1 TYR A 17 -5.159 -11.937 -23.625 1.00 1.04 C ATOM 215 CD2 TYR A 17 -5.119 -12.645 -25.900 1.00 41.02 C ATOM 216 CE1 TYR A 17 -6.491 -11.592 -23.750 1.00 63.22 C ATOM 217 CE2 TYR A 17 -6.450 -12.302 -26.035 1.00 51.34 C ATOM 218 CZ TYR A 17 -7.132 -11.776 -24.958 1.00 3.04 C ATOM 219 OH TYR A 17 -8.458 -11.434 -25.088 1.00 33.12 O ATOM 0 H TYR A 17 -0.549 -12.823 -24.225 1.00 35.15 H new ATOM 0 HA TYR A 17 -2.174 -12.347 -26.475 1.00 61.35 H new ATOM 0 HB2 TYR A 17 -2.874 -13.901 -24.793 1.00 42.22 H new ATOM 0 HB3 TYR A 17 -2.694 -12.720 -23.511 1.00 42.22 H new ATOM 0 HD1 TYR A 17 -4.660 -11.791 -22.678 1.00 1.04 H new ATOM 0 HD2 TYR A 17 -4.589 -13.058 -26.746 1.00 41.02 H new ATOM 0 HE1 TYR A 17 -7.027 -11.181 -22.907 1.00 63.22 H new ATOM 0 HE2 TYR A 17 -6.954 -12.445 -26.979 1.00 51.34 H new ATOM 0 HH TYR A 17 -8.694 -11.396 -26.038 1.00 33.12 H new ATOM 229 N LEU A 18 -1.817 -9.848 -24.400 1.00 45.50 N ATOM 230 CA LEU A 18 -2.076 -8.425 -24.209 1.00 52.32 C ATOM 231 C LEU A 18 -1.467 -7.603 -25.341 1.00 73.41 C ATOM 232 O LEU A 18 -1.862 -6.461 -25.576 1.00 42.32 O ATOM 233 CB LEU A 18 -1.513 -7.959 -22.866 1.00 24.05 C ATOM 234 CG LEU A 18 -2.208 -8.509 -21.619 1.00 44.24 C ATOM 235 CD1 LEU A 18 -1.615 -7.892 -20.362 1.00 31.01 C ATOM 236 CD2 LEU A 18 -3.706 -8.251 -21.687 1.00 21.30 C ATOM 0 H LEU A 18 -1.142 -10.245 -23.746 1.00 45.50 H new ATOM 0 HA LEU A 18 -3.156 -8.274 -24.215 1.00 52.32 H new ATOM 0 HB2 LEU A 18 -0.459 -8.234 -22.821 1.00 24.05 H new ATOM 0 HB3 LEU A 18 -1.560 -6.870 -22.833 1.00 24.05 H new ATOM 0 HG LEU A 18 -2.046 -9.586 -21.581 1.00 44.24 H new ATOM 0 HD11 LEU A 18 -2.122 -8.295 -19.485 1.00 31.01 H new ATOM 0 HD12 LEU A 18 -0.552 -8.128 -20.307 1.00 31.01 H new ATOM 0 HD13 LEU A 18 -1.745 -6.810 -20.391 1.00 31.01 H new ATOM 0 HD21 LEU A 18 -4.185 -8.649 -20.792 1.00 21.30 H new ATOM 0 HD22 LEU A 18 -3.888 -7.178 -21.750 1.00 21.30 H new ATOM 0 HD23 LEU A 18 -4.120 -8.741 -22.568 1.00 21.30 H new ATOM 248 N THR A 19 -0.504 -8.194 -26.042 1.00 52.21 N ATOM 249 CA THR A 19 0.159 -7.518 -27.150 1.00 53.02 C ATOM 250 C THR A 19 -0.394 -7.988 -28.491 1.00 23.42 C ATOM 251 O THR A 19 0.289 -7.922 -29.512 1.00 55.43 O ATOM 252 CB THR A 19 1.680 -7.755 -27.123 1.00 45.03 C ATOM 253 OG1 THR A 19 1.957 -9.159 -27.062 1.00 53.33 O ATOM 254 CG2 THR A 19 2.316 -7.056 -25.931 1.00 41.31 C ATOM 0 H THR A 19 -0.166 -9.139 -25.862 1.00 52.21 H new ATOM 0 HA THR A 19 -0.037 -6.452 -27.033 1.00 53.02 H new ATOM 0 HB THR A 19 2.105 -7.341 -28.037 1.00 45.03 H new ATOM 0 HG1 THR A 19 1.160 -9.662 -27.330 1.00 53.33 H new ATOM 0 HG21 THR A 19 3.391 -7.238 -25.933 1.00 41.31 H new ATOM 0 HG22 THR A 19 2.129 -5.984 -25.996 1.00 41.31 H new ATOM 0 HG23 THR A 19 1.884 -7.444 -25.009 1.00 41.31 H new ATOM 262 N GLY A 20 -1.635 -8.464 -28.480 1.00 73.31 N ATOM 263 CA GLY A 20 -2.259 -8.938 -29.702 1.00 24.52 C ATOM 264 C GLY A 20 -2.021 -10.417 -29.938 1.00 11.21 C ATOM 265 O GLY A 20 -2.597 -11.007 -30.851 1.00 21.33 O ATOM 0 H GLY A 20 -2.220 -8.530 -27.647 1.00 73.31 H new ATOM 0 HA2 GLY A 20 -3.331 -8.748 -29.656 1.00 24.52 H new ATOM 0 HA3 GLY A 20 -1.871 -8.371 -30.548 1.00 24.52 H new ATOM 269 N GLY A 21 -1.168 -11.017 -29.113 1.00 12.00 N ATOM 270 CA GLY A 21 -0.869 -12.430 -29.254 1.00 73.02 C ATOM 271 C GLY A 21 -2.050 -13.311 -28.896 1.00 3.13 C ATOM 272 O GLY A 21 -3.108 -12.832 -28.488 1.00 50.21 O ATOM 0 H GLY A 21 -0.679 -10.550 -28.350 1.00 12.00 H new ATOM 0 HA2 GLY A 21 -0.566 -12.633 -30.281 1.00 73.02 H new ATOM 0 HA3 GLY A 21 -0.023 -12.685 -28.616 1.00 73.02 H new ATOM 276 N PRO A 22 -1.875 -14.632 -29.049 1.00 53.11 N ATOM 277 CA PRO A 22 -2.925 -15.609 -28.745 1.00 64.52 C ATOM 278 C PRO A 22 -3.198 -15.720 -27.249 1.00 60.21 C ATOM 279 O PRO A 22 -2.305 -15.514 -26.428 1.00 72.01 O ATOM 280 CB PRO A 22 -2.352 -16.923 -29.283 1.00 21.33 C ATOM 281 CG PRO A 22 -0.875 -16.732 -29.254 1.00 23.40 C ATOM 282 CD PRO A 22 -0.640 -15.273 -29.531 1.00 32.15 C ATOM 0 HA PRO A 22 -3.881 -15.331 -29.188 1.00 64.52 H new ATOM 0 HB2 PRO A 22 -2.654 -17.769 -28.665 1.00 21.33 H new ATOM 0 HB3 PRO A 22 -2.705 -17.124 -30.294 1.00 21.33 H new ATOM 0 HG2 PRO A 22 -0.464 -17.016 -28.285 1.00 23.40 H new ATOM 0 HG3 PRO A 22 -0.386 -17.355 -30.003 1.00 23.40 H new ATOM 0 HD2 PRO A 22 0.238 -14.900 -29.004 1.00 32.15 H new ATOM 0 HD3 PRO A 22 -0.478 -15.086 -30.593 1.00 32.15 H new ATOM 290 N GLY A 23 -4.439 -16.048 -26.901 1.00 41.33 N ATOM 291 CA GLY A 23 -4.807 -16.180 -25.504 1.00 31.31 C ATOM 292 C GLY A 23 -6.225 -15.720 -25.232 1.00 14.22 C ATOM 293 O GLY A 23 -7.060 -15.645 -26.134 1.00 12.54 O ATOM 0 H GLY A 23 -5.196 -16.225 -27.562 1.00 41.33 H new ATOM 0 HA2 GLY A 23 -4.702 -17.222 -25.201 1.00 31.31 H new ATOM 0 HA3 GLY A 23 -4.116 -15.599 -24.893 1.00 31.31 H new ATOM 297 N PRO A 24 -6.515 -15.403 -23.961 1.00 74.20 N ATOM 298 CA PRO A 24 -5.530 -15.489 -22.879 1.00 70.41 C ATOM 299 C PRO A 24 -5.166 -16.931 -22.540 1.00 50.11 C ATOM 300 O PRO A 24 -6.040 -17.787 -22.408 1.00 34.22 O ATOM 301 CB PRO A 24 -6.242 -14.826 -21.698 1.00 5.54 C ATOM 302 CG PRO A 24 -7.693 -14.995 -21.986 1.00 13.11 C ATOM 303 CD PRO A 24 -7.828 -14.937 -23.482 1.00 62.45 C ATOM 0 HA PRO A 24 -4.587 -15.013 -23.148 1.00 70.41 H new ATOM 0 HB2 PRO A 24 -5.968 -15.299 -20.755 1.00 5.54 H new ATOM 0 HB3 PRO A 24 -5.975 -13.772 -21.616 1.00 5.54 H new ATOM 0 HG2 PRO A 24 -8.060 -15.945 -21.598 1.00 13.11 H new ATOM 0 HG3 PRO A 24 -8.279 -14.209 -21.511 1.00 13.11 H new ATOM 0 HD2 PRO A 24 -8.636 -15.577 -23.838 1.00 62.45 H new ATOM 0 HD3 PRO A 24 -8.046 -13.926 -23.827 1.00 62.45 H new ATOM 311 N SER A 25 -3.870 -17.192 -22.400 1.00 53.02 N ATOM 312 CA SER A 25 -3.391 -18.531 -22.080 1.00 24.24 C ATOM 313 C SER A 25 -3.778 -18.921 -20.656 1.00 44.51 C ATOM 314 O SER A 25 -4.127 -18.079 -19.828 1.00 43.11 O ATOM 315 CB SER A 25 -1.872 -18.605 -22.246 1.00 25.14 C ATOM 316 OG SER A 25 -1.211 -18.333 -21.022 1.00 1.22 O ATOM 0 H SER A 25 -3.134 -16.494 -22.503 1.00 53.02 H new ATOM 0 HA SER A 25 -3.860 -19.232 -22.770 1.00 24.24 H new ATOM 0 HB2 SER A 25 -1.590 -19.596 -22.603 1.00 25.14 H new ATOM 0 HB3 SER A 25 -1.551 -17.890 -23.003 1.00 25.14 H new ATOM 0 HG SER A 25 -0.242 -18.388 -21.154 1.00 1.22 H new ATOM 322 N PRO A 26 -3.715 -20.228 -20.363 1.00 43.04 N ATOM 323 CA PRO A 26 -4.054 -20.760 -19.040 1.00 71.23 C ATOM 324 C PRO A 26 -3.029 -20.373 -17.980 1.00 33.34 C ATOM 325 O PRO A 26 -3.370 -20.201 -16.810 1.00 5.25 O ATOM 326 CB PRO A 26 -4.054 -22.276 -19.257 1.00 4.52 C ATOM 327 CG PRO A 26 -3.144 -22.492 -20.417 1.00 31.35 C ATOM 328 CD PRO A 26 -3.307 -21.287 -21.301 1.00 61.44 C ATOM 0 HA PRO A 26 -5.003 -20.368 -18.674 1.00 71.23 H new ATOM 0 HB2 PRO A 26 -3.699 -22.803 -18.371 1.00 4.52 H new ATOM 0 HB3 PRO A 26 -5.058 -22.646 -19.467 1.00 4.52 H new ATOM 0 HG2 PRO A 26 -2.110 -22.597 -20.088 1.00 31.35 H new ATOM 0 HG3 PRO A 26 -3.403 -23.406 -20.951 1.00 31.35 H new ATOM 0 HD2 PRO A 26 -2.378 -21.035 -21.812 1.00 61.44 H new ATOM 0 HD3 PRO A 26 -4.060 -21.453 -22.072 1.00 61.44 H new ATOM 336 N GLN A 27 -1.775 -20.238 -18.397 1.00 24.42 N ATOM 337 CA GLN A 27 -0.701 -19.872 -17.481 1.00 42.10 C ATOM 338 C GLN A 27 -0.749 -18.383 -17.154 1.00 21.13 C ATOM 339 O GLN A 27 -0.319 -17.958 -16.081 1.00 65.21 O ATOM 340 CB GLN A 27 0.658 -20.230 -18.086 1.00 0.53 C ATOM 341 CG GLN A 27 0.784 -21.694 -18.475 1.00 42.52 C ATOM 342 CD GLN A 27 2.094 -22.001 -19.174 1.00 53.45 C ATOM 343 OE1 GLN A 27 2.932 -22.736 -18.652 1.00 70.24 O ATOM 344 NE2 GLN A 27 2.277 -21.437 -20.363 1.00 72.40 N ATOM 0 H GLN A 27 -1.477 -20.376 -19.363 1.00 24.42 H new ATOM 0 HA GLN A 27 -0.838 -20.433 -16.557 1.00 42.10 H new ATOM 0 HB2 GLN A 27 0.828 -19.612 -18.968 1.00 0.53 H new ATOM 0 HB3 GLN A 27 1.442 -19.984 -17.369 1.00 0.53 H new ATOM 0 HG2 GLN A 27 0.700 -22.312 -17.581 1.00 42.52 H new ATOM 0 HG3 GLN A 27 -0.045 -21.965 -19.129 1.00 42.52 H new ATOM 0 HE21 GLN A 27 1.555 -20.834 -20.758 1.00 72.40 H new ATOM 0 HE22 GLN A 27 3.139 -21.607 -20.881 1.00 72.40 H new ATOM 353 N CYS A 28 -1.275 -17.594 -18.085 1.00 22.32 N ATOM 354 CA CYS A 28 -1.379 -16.152 -17.897 1.00 21.43 C ATOM 355 C CYS A 28 -2.454 -15.814 -16.867 1.00 65.34 C ATOM 356 O CYS A 28 -2.206 -15.074 -15.915 1.00 23.21 O ATOM 357 CB CYS A 28 -1.696 -15.465 -19.226 1.00 74.12 C ATOM 358 SG CYS A 28 -2.678 -13.940 -19.059 1.00 10.32 S ATOM 0 H CYS A 28 -1.636 -17.930 -18.978 1.00 22.32 H new ATOM 0 HA CYS A 28 -0.420 -15.788 -17.528 1.00 21.43 H new ATOM 0 HB2 CYS A 28 -0.760 -15.228 -19.733 1.00 74.12 H new ATOM 0 HB3 CYS A 28 -2.236 -16.164 -19.864 1.00 74.12 H new ATOM 363 N CYS A 29 -3.648 -16.362 -17.066 1.00 1.23 N ATOM 364 CA CYS A 29 -4.761 -16.119 -16.156 1.00 73.34 C ATOM 365 C CYS A 29 -4.350 -16.384 -14.711 1.00 15.23 C ATOM 366 O CYS A 29 -4.803 -15.703 -13.791 1.00 70.32 O ATOM 367 CB CYS A 29 -5.953 -17.003 -16.529 1.00 73.11 C ATOM 368 SG CYS A 29 -7.112 -16.232 -17.705 1.00 2.13 S ATOM 0 H CYS A 29 -3.870 -16.977 -17.849 1.00 1.23 H new ATOM 0 HA CYS A 29 -5.050 -15.072 -16.246 1.00 73.34 H new ATOM 0 HB2 CYS A 29 -5.581 -17.933 -16.959 1.00 73.11 H new ATOM 0 HB3 CYS A 29 -6.495 -17.266 -15.621 1.00 73.11 H new ATOM 373 N GLY A 30 -3.489 -17.378 -14.518 1.00 63.05 N ATOM 374 CA GLY A 30 -3.031 -17.715 -13.183 1.00 61.13 C ATOM 375 C GLY A 30 -2.446 -16.523 -12.453 1.00 5.12 C ATOM 376 O GLY A 30 -2.700 -16.327 -11.265 1.00 71.42 O ATOM 0 H GLY A 30 -3.100 -17.956 -15.263 1.00 63.05 H new ATOM 0 HA2 GLY A 30 -3.865 -18.117 -12.607 1.00 61.13 H new ATOM 0 HA3 GLY A 30 -2.280 -18.502 -13.248 1.00 61.13 H new ATOM 380 N GLY A 31 -1.657 -15.724 -13.165 1.00 5.55 N ATOM 381 CA GLY A 31 -1.044 -14.555 -12.559 1.00 70.34 C ATOM 382 C GLY A 31 -2.027 -13.416 -12.374 1.00 24.11 C ATOM 383 O GLY A 31 -2.000 -12.723 -11.357 1.00 2.21 O ATOM 0 H GLY A 31 -1.431 -15.865 -14.150 1.00 5.55 H new ATOM 0 HA2 GLY A 31 -0.624 -14.829 -11.591 1.00 70.34 H new ATOM 0 HA3 GLY A 31 -0.216 -14.218 -13.182 1.00 70.34 H new ATOM 387 N VAL A 32 -2.896 -13.220 -13.360 1.00 33.11 N ATOM 388 CA VAL A 32 -3.892 -12.156 -13.301 1.00 64.32 C ATOM 389 C VAL A 32 -4.674 -12.208 -11.994 1.00 53.40 C ATOM 390 O VAL A 32 -4.838 -11.194 -11.315 1.00 2.22 O ATOM 391 CB VAL A 32 -4.878 -12.245 -14.481 1.00 43.31 C ATOM 392 CG1 VAL A 32 -5.930 -11.151 -14.381 1.00 31.13 C ATOM 393 CG2 VAL A 32 -4.133 -12.160 -15.805 1.00 10.51 C ATOM 0 H VAL A 32 -2.931 -13.784 -14.209 1.00 33.11 H new ATOM 0 HA VAL A 32 -3.351 -11.212 -13.360 1.00 64.32 H new ATOM 0 HB VAL A 32 -5.385 -13.209 -14.437 1.00 43.31 H new ATOM 0 HG11 VAL A 32 -6.618 -11.230 -15.223 1.00 31.13 H new ATOM 0 HG12 VAL A 32 -6.484 -11.263 -13.449 1.00 31.13 H new ATOM 0 HG13 VAL A 32 -5.444 -10.176 -14.400 1.00 31.13 H new ATOM 0 HG21 VAL A 32 -4.845 -12.225 -16.628 1.00 10.51 H new ATOM 0 HG22 VAL A 32 -3.598 -11.212 -15.861 1.00 10.51 H new ATOM 0 HG23 VAL A 32 -3.421 -12.983 -15.876 1.00 10.51 H new ATOM 403 N LYS A 33 -5.157 -13.396 -11.646 1.00 2.31 N ATOM 404 CA LYS A 33 -5.922 -13.582 -10.419 1.00 4.24 C ATOM 405 C LYS A 33 -5.081 -13.231 -9.195 1.00 62.41 C ATOM 406 O LYS A 33 -5.566 -12.602 -8.255 1.00 32.34 O ATOM 407 CB LYS A 33 -6.415 -15.027 -10.315 1.00 1.22 C ATOM 408 CG LYS A 33 -7.383 -15.420 -11.418 1.00 4.24 C ATOM 409 CD LYS A 33 -7.108 -16.825 -11.925 1.00 73.53 C ATOM 410 CE LYS A 33 -8.059 -17.207 -13.050 1.00 24.21 C ATOM 411 NZ LYS A 33 -8.952 -18.334 -12.663 1.00 24.31 N ATOM 0 H LYS A 33 -5.032 -14.245 -12.197 1.00 2.31 H new ATOM 0 HA LYS A 33 -6.782 -12.913 -10.451 1.00 4.24 H new ATOM 0 HB2 LYS A 33 -5.556 -15.698 -10.341 1.00 1.22 H new ATOM 0 HB3 LYS A 33 -6.901 -15.168 -9.349 1.00 1.22 H new ATOM 0 HG2 LYS A 33 -8.405 -15.360 -11.045 1.00 4.24 H new ATOM 0 HG3 LYS A 33 -7.303 -14.712 -12.243 1.00 4.24 H new ATOM 0 HD2 LYS A 33 -6.079 -16.891 -12.279 1.00 73.53 H new ATOM 0 HD3 LYS A 33 -7.209 -17.535 -11.105 1.00 73.53 H new ATOM 0 HE2 LYS A 33 -8.663 -16.342 -13.324 1.00 24.21 H new ATOM 0 HE3 LYS A 33 -7.484 -17.486 -13.933 1.00 24.21 H new ATOM 0 HZ1 LYS A 33 -9.584 -18.564 -13.456 1.00 24.31 H new ATOM 0 HZ2 LYS A 33 -8.377 -19.167 -12.426 1.00 24.31 H new ATOM 0 HZ3 LYS A 33 -9.520 -18.059 -11.836 1.00 24.31 H new ATOM 425 N LYS A 34 -3.817 -13.641 -9.214 1.00 70.23 N ATOM 426 CA LYS A 34 -2.907 -13.369 -8.108 1.00 41.43 C ATOM 427 C LYS A 34 -2.687 -11.868 -7.942 1.00 20.43 C ATOM 428 O LYS A 34 -2.625 -11.360 -6.821 1.00 71.33 O ATOM 429 CB LYS A 34 -1.566 -14.069 -8.340 1.00 1.22 C ATOM 430 CG LYS A 34 -0.506 -13.708 -7.313 1.00 51.14 C ATOM 431 CD LYS A 34 0.528 -14.811 -7.168 1.00 63.43 C ATOM 432 CE LYS A 34 1.550 -14.480 -6.091 1.00 53.21 C ATOM 433 NZ LYS A 34 2.476 -15.617 -5.836 1.00 62.43 N ATOM 0 H LYS A 34 -3.400 -14.163 -9.984 1.00 70.23 H new ATOM 0 HA LYS A 34 -3.359 -13.756 -7.195 1.00 41.43 H new ATOM 0 HB2 LYS A 34 -1.721 -15.148 -8.326 1.00 1.22 H new ATOM 0 HB3 LYS A 34 -1.199 -13.813 -9.334 1.00 1.22 H new ATOM 0 HG2 LYS A 34 -0.013 -12.782 -7.608 1.00 51.14 H new ATOM 0 HG3 LYS A 34 -0.980 -13.523 -6.349 1.00 51.14 H new ATOM 0 HD2 LYS A 34 0.029 -15.748 -6.922 1.00 63.43 H new ATOM 0 HD3 LYS A 34 1.037 -14.961 -8.120 1.00 63.43 H new ATOM 0 HE2 LYS A 34 2.125 -13.604 -6.393 1.00 53.21 H new ATOM 0 HE3 LYS A 34 1.033 -14.219 -5.168 1.00 53.21 H new ATOM 0 HZ1 LYS A 34 3.157 -15.351 -5.096 1.00 62.43 H new ATOM 0 HZ2 LYS A 34 1.931 -16.445 -5.523 1.00 62.43 H new ATOM 0 HZ3 LYS A 34 2.989 -15.850 -6.710 1.00 62.43 H new ATOM 447 N LEU A 35 -2.571 -11.164 -9.062 1.00 60.21 N ATOM 448 CA LEU A 35 -2.360 -9.721 -9.040 1.00 44.02 C ATOM 449 C LEU A 35 -3.587 -8.999 -8.494 1.00 32.11 C ATOM 450 O LEU A 35 -3.483 -8.177 -7.582 1.00 61.14 O ATOM 451 CB LEU A 35 -2.038 -9.211 -10.446 1.00 61.42 C ATOM 452 CG LEU A 35 -2.112 -7.697 -10.645 1.00 23.15 C ATOM 453 CD1 LEU A 35 -1.228 -6.983 -9.634 1.00 43.41 C ATOM 454 CD2 LEU A 35 -1.710 -7.325 -12.064 1.00 52.14 C ATOM 0 H LEU A 35 -2.619 -11.569 -9.997 1.00 60.21 H new ATOM 0 HA LEU A 35 -1.516 -9.513 -8.382 1.00 44.02 H new ATOM 0 HB2 LEU A 35 -1.034 -9.543 -10.710 1.00 61.42 H new ATOM 0 HB3 LEU A 35 -2.725 -9.683 -11.148 1.00 61.42 H new ATOM 0 HG LEU A 35 -3.142 -7.379 -10.486 1.00 23.15 H new ATOM 0 HD11 LEU A 35 -1.293 -5.906 -9.790 1.00 43.41 H new ATOM 0 HD12 LEU A 35 -1.562 -7.224 -8.625 1.00 43.41 H new ATOM 0 HD13 LEU A 35 -0.195 -7.306 -9.761 1.00 43.41 H new ATOM 0 HD21 LEU A 35 -1.769 -6.244 -12.187 1.00 52.14 H new ATOM 0 HD22 LEU A 35 -0.689 -7.657 -12.252 1.00 52.14 H new ATOM 0 HD23 LEU A 35 -2.384 -7.808 -12.772 1.00 52.14 H new ATOM 466 N LEU A 36 -4.750 -9.313 -9.055 1.00 2.41 N ATOM 467 CA LEU A 36 -5.999 -8.696 -8.623 1.00 0.44 C ATOM 468 C LEU A 36 -6.313 -9.059 -7.175 1.00 13.11 C ATOM 469 O LEU A 36 -6.756 -8.216 -6.395 1.00 61.11 O ATOM 470 CB LEU A 36 -7.149 -9.134 -9.532 1.00 24.05 C ATOM 471 CG LEU A 36 -7.173 -8.514 -10.929 1.00 51.00 C ATOM 472 CD1 LEU A 36 -8.256 -9.159 -11.780 1.00 65.34 C ATOM 473 CD2 LEU A 36 -7.387 -7.010 -10.841 1.00 42.15 C ATOM 0 H LEU A 36 -4.854 -9.991 -9.810 1.00 2.41 H new ATOM 0 HA LEU A 36 -5.883 -7.614 -8.690 1.00 0.44 H new ATOM 0 HB2 LEU A 36 -7.109 -10.218 -9.638 1.00 24.05 H new ATOM 0 HB3 LEU A 36 -8.089 -8.897 -9.035 1.00 24.05 H new ATOM 0 HG LEU A 36 -6.209 -8.697 -11.404 1.00 51.00 H new ATOM 0 HD11 LEU A 36 -8.258 -8.705 -12.771 1.00 65.34 H new ATOM 0 HD12 LEU A 36 -8.060 -10.227 -11.871 1.00 65.34 H new ATOM 0 HD13 LEU A 36 -9.227 -9.007 -11.309 1.00 65.34 H new ATOM 0 HD21 LEU A 36 -7.401 -6.585 -11.845 1.00 42.15 H new ATOM 0 HD22 LEU A 36 -8.337 -6.806 -10.347 1.00 42.15 H new ATOM 0 HD23 LEU A 36 -6.576 -6.560 -10.268 1.00 42.15 H new ATOM 485 N ALA A 37 -6.080 -10.319 -6.822 1.00 44.23 N ATOM 486 CA ALA A 37 -6.334 -10.793 -5.467 1.00 44.44 C ATOM 487 C ALA A 37 -5.423 -10.096 -4.462 1.00 41.33 C ATOM 488 O ALA A 37 -5.716 -10.057 -3.268 1.00 23.33 O ATOM 489 CB ALA A 37 -6.149 -12.301 -5.393 1.00 31.05 C ATOM 0 H ALA A 37 -5.716 -11.030 -7.456 1.00 44.23 H new ATOM 0 HA ALA A 37 -7.366 -10.551 -5.211 1.00 44.44 H new ATOM 0 HB1 ALA A 37 -6.342 -12.642 -4.376 1.00 31.05 H new ATOM 0 HB2 ALA A 37 -6.845 -12.787 -6.076 1.00 31.05 H new ATOM 0 HB3 ALA A 37 -5.127 -12.556 -5.674 1.00 31.05 H new ATOM 495 N ALA A 38 -4.317 -9.547 -4.954 1.00 51.43 N ATOM 496 CA ALA A 38 -3.364 -8.850 -4.099 1.00 33.11 C ATOM 497 C ALA A 38 -3.774 -7.396 -3.891 1.00 50.02 C ATOM 498 O ALA A 38 -3.535 -6.820 -2.830 1.00 54.54 O ATOM 499 CB ALA A 38 -1.966 -8.927 -4.694 1.00 53.34 C ATOM 0 H ALA A 38 -4.059 -9.572 -5.941 1.00 51.43 H new ATOM 0 HA ALA A 38 -3.360 -9.341 -3.126 1.00 33.11 H new ATOM 0 HB1 ALA A 38 -1.265 -8.402 -4.045 1.00 53.34 H new ATOM 0 HB2 ALA A 38 -1.666 -9.971 -4.784 1.00 53.34 H new ATOM 0 HB3 ALA A 38 -1.964 -8.463 -5.680 1.00 53.34 H new ATOM 505 N ALA A 39 -4.391 -6.808 -4.911 1.00 71.41 N ATOM 506 CA ALA A 39 -4.835 -5.422 -4.839 1.00 41.13 C ATOM 507 C ALA A 39 -6.135 -5.302 -4.052 1.00 54.22 C ATOM 508 O ALA A 39 -7.179 -4.964 -4.608 1.00 53.23 O ATOM 509 CB ALA A 39 -5.008 -4.850 -6.239 1.00 2.15 C ATOM 0 H ALA A 39 -4.595 -7.271 -5.797 1.00 71.41 H new ATOM 0 HA ALA A 39 -4.070 -4.848 -4.316 1.00 41.13 H new ATOM 0 HB1 ALA A 39 -5.340 -3.814 -6.170 1.00 2.15 H new ATOM 0 HB2 ALA A 39 -4.057 -4.892 -6.769 1.00 2.15 H new ATOM 0 HB3 ALA A 39 -5.752 -5.434 -6.781 1.00 2.15 H new ATOM 515 N ASN A 40 -6.065 -5.582 -2.755 1.00 5.32 N ATOM 516 CA ASN A 40 -7.237 -5.506 -1.891 1.00 74.14 C ATOM 517 C ASN A 40 -7.254 -4.196 -1.110 1.00 10.12 C ATOM 518 O ASN A 40 -8.212 -3.897 -0.396 1.00 72.21 O ATOM 519 CB ASN A 40 -7.261 -6.691 -0.923 1.00 52.24 C ATOM 520 CG ASN A 40 -8.647 -6.955 -0.367 1.00 71.55 C ATOM 521 OD1 ASN A 40 -9.633 -6.378 -0.827 1.00 22.25 O ATOM 522 ND2 ASN A 40 -8.728 -7.832 0.627 1.00 70.14 N ATOM 0 H ASN A 40 -5.208 -5.864 -2.279 1.00 5.32 H new ATOM 0 HA ASN A 40 -8.125 -5.543 -2.522 1.00 74.14 H new ATOM 0 HB2 ASN A 40 -6.902 -7.583 -1.436 1.00 52.24 H new ATOM 0 HB3 ASN A 40 -6.573 -6.498 -0.100 1.00 52.24 H new ATOM 0 HD21 ASN A 40 -9.634 -8.051 1.041 1.00 70.14 H new ATOM 0 HD22 ASN A 40 -7.884 -8.286 0.976 1.00 70.14 H new ATOM 529 N THR A 41 -6.187 -3.416 -1.250 1.00 5.02 N ATOM 530 CA THR A 41 -6.077 -2.138 -0.557 1.00 74.33 C ATOM 531 C THR A 41 -6.148 -0.973 -1.538 1.00 74.51 C ATOM 532 O THR A 41 -6.086 -1.166 -2.753 1.00 5.31 O ATOM 533 CB THR A 41 -4.764 -2.043 0.241 1.00 3.44 C ATOM 534 OG1 THR A 41 -3.807 -2.974 -0.276 1.00 30.13 O ATOM 535 CG2 THR A 41 -5.006 -2.323 1.717 1.00 61.12 C ATOM 0 H THR A 41 -5.386 -3.647 -1.838 1.00 5.02 H new ATOM 0 HA THR A 41 -6.918 -2.080 0.134 1.00 74.33 H new ATOM 0 HB THR A 41 -4.375 -1.030 0.139 1.00 3.44 H new ATOM 0 HG1 THR A 41 -3.052 -3.045 0.345 1.00 30.13 H new ATOM 0 HG21 THR A 41 -4.064 -2.250 2.260 1.00 61.12 H new ATOM 0 HG22 THR A 41 -5.712 -1.594 2.115 1.00 61.12 H new ATOM 0 HG23 THR A 41 -5.416 -3.326 1.835 1.00 61.12 H new ATOM 543 N THR A 42 -6.279 0.237 -1.004 1.00 34.11 N ATOM 544 CA THR A 42 -6.359 1.433 -1.832 1.00 55.33 C ATOM 545 C THR A 42 -5.022 1.730 -2.500 1.00 4.31 C ATOM 546 O THR A 42 -4.928 1.878 -3.719 1.00 22.14 O ATOM 547 CB THR A 42 -6.792 2.660 -1.007 1.00 71.02 C ATOM 548 OG1 THR A 42 -8.216 2.674 -0.860 1.00 54.04 O ATOM 549 CG2 THR A 42 -6.333 3.949 -1.672 1.00 71.24 C ATOM 0 H THR A 42 -6.332 0.414 -0.001 1.00 34.11 H new ATOM 0 HA THR A 42 -7.109 1.237 -2.598 1.00 55.33 H new ATOM 0 HB THR A 42 -6.326 2.591 -0.024 1.00 71.02 H new ATOM 0 HG1 THR A 42 -8.483 3.456 -0.333 1.00 54.04 H new ATOM 0 HG21 THR A 42 -6.650 4.801 -1.071 1.00 71.24 H new ATOM 0 HG22 THR A 42 -5.246 3.948 -1.755 1.00 71.24 H new ATOM 0 HG23 THR A 42 -6.773 4.022 -2.666 1.00 71.24 H new ATOM 557 N PRO A 43 -3.960 1.820 -1.685 1.00 62.03 N ATOM 558 CA PRO A 43 -2.607 2.099 -2.176 1.00 20.01 C ATOM 559 C PRO A 43 -2.025 0.932 -2.967 1.00 10.33 C ATOM 560 O PRO A 43 -0.969 1.056 -3.587 1.00 40.03 O ATOM 561 CB PRO A 43 -1.805 2.328 -0.893 1.00 5.43 C ATOM 562 CG PRO A 43 -2.545 1.575 0.157 1.00 34.42 C ATOM 563 CD PRO A 43 -3.998 1.655 -0.222 1.00 52.34 C ATOM 0 HA PRO A 43 -2.589 2.945 -2.863 1.00 20.01 H new ATOM 0 HB2 PRO A 43 -0.783 1.964 -0.995 1.00 5.43 H new ATOM 0 HB3 PRO A 43 -1.742 3.389 -0.649 1.00 5.43 H new ATOM 0 HG2 PRO A 43 -2.210 0.539 0.203 1.00 34.42 H new ATOM 0 HG3 PRO A 43 -2.374 2.009 1.142 1.00 34.42 H new ATOM 0 HD2 PRO A 43 -4.539 0.754 0.067 1.00 52.34 H new ATOM 0 HD3 PRO A 43 -4.495 2.495 0.264 1.00 52.34 H new ATOM 571 N ASP A 44 -2.720 -0.199 -2.940 1.00 72.43 N ATOM 572 CA ASP A 44 -2.273 -1.388 -3.656 1.00 61.44 C ATOM 573 C ASP A 44 -2.783 -1.381 -5.094 1.00 32.10 C ATOM 574 O ASP A 44 -2.075 -1.785 -6.016 1.00 70.05 O ATOM 575 CB ASP A 44 -2.751 -2.652 -2.939 1.00 3.21 C ATOM 576 CG ASP A 44 -1.749 -3.151 -1.916 1.00 50.31 C ATOM 577 OD1 ASP A 44 -0.937 -2.334 -1.433 1.00 13.34 O ATOM 578 OD2 ASP A 44 -1.777 -4.358 -1.598 1.00 53.14 O ATOM 0 H ASP A 44 -3.595 -0.318 -2.430 1.00 72.43 H new ATOM 0 HA ASP A 44 -1.183 -1.381 -3.676 1.00 61.44 H new ATOM 0 HB2 ASP A 44 -3.701 -2.448 -2.444 1.00 3.21 H new ATOM 0 HB3 ASP A 44 -2.936 -3.435 -3.674 1.00 3.21 H new ATOM 583 N ARG A 45 -4.016 -0.920 -5.276 1.00 73.24 N ATOM 584 CA ARG A 45 -4.622 -0.863 -6.601 1.00 51.33 C ATOM 585 C ARG A 45 -4.061 0.306 -7.405 1.00 42.34 C ATOM 586 O ARG A 45 -3.797 0.179 -8.601 1.00 14.32 O ATOM 587 CB ARG A 45 -6.142 -0.733 -6.485 1.00 40.42 C ATOM 588 CG ARG A 45 -6.765 -1.719 -5.511 1.00 0.22 C ATOM 589 CD ARG A 45 -7.762 -2.633 -6.205 1.00 32.31 C ATOM 590 NE ARG A 45 -8.899 -2.955 -5.347 1.00 32.13 N ATOM 591 CZ ARG A 45 -9.812 -2.066 -4.972 1.00 53.25 C ATOM 592 NH1 ARG A 45 -9.722 -0.807 -5.379 1.00 75.23 N ATOM 593 NH2 ARG A 45 -10.818 -2.435 -4.190 1.00 73.30 N ATOM 0 H ARG A 45 -4.615 -0.581 -4.523 1.00 73.24 H new ATOM 0 HA ARG A 45 -4.382 -1.789 -7.123 1.00 51.33 H new ATOM 0 HB2 ARG A 45 -6.388 0.281 -6.170 1.00 40.42 H new ATOM 0 HB3 ARG A 45 -6.587 -0.878 -7.470 1.00 40.42 H new ATOM 0 HG2 ARG A 45 -5.982 -2.319 -5.048 1.00 0.22 H new ATOM 0 HG3 ARG A 45 -7.265 -1.174 -4.710 1.00 0.22 H new ATOM 0 HD2 ARG A 45 -8.120 -2.154 -7.116 1.00 32.31 H new ATOM 0 HD3 ARG A 45 -7.262 -3.554 -6.505 1.00 32.31 H new ATOM 0 HE ARG A 45 -8.997 -3.915 -5.018 1.00 32.13 H new ATOM 0 HH11 ARG A 45 -8.951 -0.520 -5.981 1.00 75.23 H new ATOM 0 HH12 ARG A 45 -10.424 -0.126 -5.090 1.00 75.23 H new ATOM 0 HH21 ARG A 45 -10.891 -3.403 -3.876 1.00 73.30 H new ATOM 0 HH22 ARG A 45 -11.518 -1.751 -3.903 1.00 73.30 H new ATOM 607 N GLN A 46 -3.881 1.443 -6.741 1.00 14.23 N ATOM 608 CA GLN A 46 -3.353 2.635 -7.394 1.00 62.54 C ATOM 609 C GLN A 46 -1.977 2.362 -7.993 1.00 22.20 C ATOM 610 O GLN A 46 -1.741 2.618 -9.173 1.00 43.22 O ATOM 611 CB GLN A 46 -3.269 3.793 -6.399 1.00 44.23 C ATOM 612 CG GLN A 46 -4.605 4.153 -5.770 1.00 42.00 C ATOM 613 CD GLN A 46 -4.451 4.957 -4.494 1.00 33.53 C ATOM 614 OE1 GLN A 46 -3.435 4.862 -3.806 1.00 5.34 O ATOM 615 NE2 GLN A 46 -5.463 5.754 -4.170 1.00 60.44 N ATOM 0 H GLN A 46 -4.093 1.564 -5.751 1.00 14.23 H new ATOM 0 HA GLN A 46 -4.033 2.908 -8.201 1.00 62.54 H new ATOM 0 HB2 GLN A 46 -2.564 3.532 -5.610 1.00 44.23 H new ATOM 0 HB3 GLN A 46 -2.868 4.670 -6.908 1.00 44.23 H new ATOM 0 HG2 GLN A 46 -5.197 4.724 -6.485 1.00 42.00 H new ATOM 0 HG3 GLN A 46 -5.159 3.239 -5.555 1.00 42.00 H new ATOM 0 HE21 GLN A 46 -6.287 5.802 -4.770 1.00 60.44 H new ATOM 0 HE22 GLN A 46 -5.416 6.318 -3.322 1.00 60.44 H new ATOM 624 N ALA A 47 -1.072 1.841 -7.171 1.00 30.33 N ATOM 625 CA ALA A 47 0.280 1.532 -7.619 1.00 70.34 C ATOM 626 C ALA A 47 0.269 0.442 -8.687 1.00 13.54 C ATOM 627 O ALA A 47 0.907 0.576 -9.730 1.00 4.01 O ATOM 628 CB ALA A 47 1.144 1.109 -6.440 1.00 52.33 C ATOM 0 H ALA A 47 -1.251 1.624 -6.191 1.00 30.33 H new ATOM 0 HA ALA A 47 0.704 2.434 -8.061 1.00 70.34 H new ATOM 0 HB1 ALA A 47 2.151 0.881 -6.790 1.00 52.33 H new ATOM 0 HB2 ALA A 47 1.187 1.919 -5.712 1.00 52.33 H new ATOM 0 HB3 ALA A 47 0.713 0.223 -5.973 1.00 52.33 H new ATOM 634 N ALA A 48 -0.461 -0.635 -8.418 1.00 23.45 N ATOM 635 CA ALA A 48 -0.556 -1.747 -9.356 1.00 23.14 C ATOM 636 C ALA A 48 -0.946 -1.260 -10.747 1.00 12.33 C ATOM 637 O ALA A 48 -0.290 -1.584 -11.737 1.00 23.54 O ATOM 638 CB ALA A 48 -1.558 -2.776 -8.854 1.00 62.43 C ATOM 0 H ALA A 48 -0.995 -0.761 -7.558 1.00 23.45 H new ATOM 0 HA ALA A 48 0.425 -2.216 -9.426 1.00 23.14 H new ATOM 0 HB1 ALA A 48 -1.619 -3.601 -9.564 1.00 62.43 H new ATOM 0 HB2 ALA A 48 -1.235 -3.155 -7.884 1.00 62.43 H new ATOM 0 HB3 ALA A 48 -2.538 -2.310 -8.754 1.00 62.43 H new ATOM 644 N CYS A 49 -2.019 -0.479 -10.815 1.00 53.04 N ATOM 645 CA CYS A 49 -2.499 0.053 -12.085 1.00 63.24 C ATOM 646 C CYS A 49 -1.480 1.014 -12.692 1.00 14.13 C ATOM 647 O CYS A 49 -1.031 0.827 -13.822 1.00 33.04 O ATOM 648 CB CYS A 49 -3.838 0.767 -11.890 1.00 45.03 C ATOM 649 SG CYS A 49 -4.616 1.324 -13.440 1.00 60.23 S ATOM 0 H CYS A 49 -2.573 -0.200 -10.005 1.00 53.04 H new ATOM 0 HA CYS A 49 -2.638 -0.782 -12.771 1.00 63.24 H new ATOM 0 HB2 CYS A 49 -4.524 0.096 -11.373 1.00 45.03 H new ATOM 0 HB3 CYS A 49 -3.686 1.630 -11.241 1.00 45.03 H new ATOM 654 N ASN A 50 -1.121 2.043 -11.931 1.00 40.35 N ATOM 655 CA ASN A 50 -0.156 3.035 -12.393 1.00 71.54 C ATOM 656 C ASN A 50 1.113 2.361 -12.907 1.00 33.51 C ATOM 657 O ASN A 50 1.795 2.885 -13.787 1.00 50.35 O ATOM 658 CB ASN A 50 0.190 4.005 -11.263 1.00 5.14 C ATOM 659 CG ASN A 50 -1.014 4.797 -10.791 1.00 21.33 C ATOM 660 OD1 ASN A 50 -0.984 5.226 -9.535 1.00 54.40 O flip ATOM 661 ND2 ASN A 50 -1.959 5.019 -11.547 1.00 11.35 N flip ATOM 0 H ASN A 50 -1.483 2.212 -10.993 1.00 40.35 H new ATOM 0 HA ASN A 50 -0.609 3.591 -13.214 1.00 71.54 H new ATOM 0 HB2 ASN A 50 0.606 3.447 -10.424 1.00 5.14 H new ATOM 0 HB3 ASN A 50 0.964 4.693 -11.603 1.00 5.14 H new ATOM 0 HD21 ASN A 50 -1.939 4.669 -12.505 1.00 11.35 H new ATOM 0 HD22 ASN A 50 -2.763 5.553 -11.216 1.00 11.35 H new ATOM 668 N CYS A 51 1.423 1.194 -12.351 1.00 10.22 N ATOM 669 CA CYS A 51 2.609 0.447 -12.751 1.00 70.03 C ATOM 670 C CYS A 51 2.440 -0.132 -14.153 1.00 54.10 C ATOM 671 O CYS A 51 3.344 -0.048 -14.985 1.00 22.42 O ATOM 672 CB CYS A 51 2.890 -0.678 -11.753 1.00 75.33 C ATOM 673 SG CYS A 51 3.876 -0.164 -10.311 1.00 0.02 S ATOM 0 H CYS A 51 0.869 0.745 -11.622 1.00 10.22 H new ATOM 0 HA CYS A 51 3.455 1.135 -12.760 1.00 70.03 H new ATOM 0 HB2 CYS A 51 1.941 -1.085 -11.404 1.00 75.33 H new ATOM 0 HB3 CYS A 51 3.412 -1.484 -12.268 1.00 75.33 H new ATOM 678 N LEU A 52 1.275 -0.718 -14.408 1.00 22.51 N ATOM 679 CA LEU A 52 0.986 -1.311 -15.709 1.00 32.40 C ATOM 680 C LEU A 52 0.678 -0.233 -16.743 1.00 12.24 C ATOM 681 O LEU A 52 1.290 -0.187 -17.810 1.00 31.31 O ATOM 682 CB LEU A 52 -0.193 -2.280 -15.599 1.00 60.11 C ATOM 683 CG LEU A 52 0.074 -3.578 -14.836 1.00 13.01 C ATOM 684 CD1 LEU A 52 -1.189 -4.422 -14.761 1.00 70.21 C ATOM 685 CD2 LEU A 52 1.202 -4.360 -15.492 1.00 23.12 C ATOM 0 H LEU A 52 0.516 -0.795 -13.731 1.00 22.51 H new ATOM 0 HA LEU A 52 1.870 -1.859 -16.035 1.00 32.40 H new ATOM 0 HB2 LEU A 52 -1.020 -1.761 -15.115 1.00 60.11 H new ATOM 0 HB3 LEU A 52 -0.523 -2.535 -16.606 1.00 60.11 H new ATOM 0 HG LEU A 52 0.378 -3.324 -13.820 1.00 13.01 H new ATOM 0 HD11 LEU A 52 -0.980 -5.342 -14.215 1.00 70.21 H new ATOM 0 HD12 LEU A 52 -1.970 -3.863 -14.245 1.00 70.21 H new ATOM 0 HD13 LEU A 52 -1.523 -4.667 -15.769 1.00 70.21 H new ATOM 0 HD21 LEU A 52 1.378 -5.281 -14.936 1.00 23.12 H new ATOM 0 HD22 LEU A 52 0.927 -4.603 -16.518 1.00 23.12 H new ATOM 0 HD23 LEU A 52 2.110 -3.757 -15.493 1.00 23.12 H new ATOM 697 N LYS A 53 -0.274 0.636 -16.418 1.00 23.11 N ATOM 698 CA LYS A 53 -0.662 1.717 -17.316 1.00 4.44 C ATOM 699 C LYS A 53 0.566 2.454 -17.842 1.00 52.21 C ATOM 700 O LYS A 53 0.769 2.556 -19.052 1.00 12.01 O ATOM 701 CB LYS A 53 -1.588 2.699 -16.594 1.00 73.24 C ATOM 702 CG LYS A 53 -2.980 2.778 -17.199 1.00 24.54 C ATOM 703 CD LYS A 53 -3.822 3.846 -16.522 1.00 20.34 C ATOM 704 CE LYS A 53 -3.651 5.199 -17.193 1.00 43.44 C ATOM 705 NZ LYS A 53 -2.505 5.961 -16.623 1.00 34.04 N ATOM 0 H LYS A 53 -0.791 0.612 -15.539 1.00 23.11 H new ATOM 0 HA LYS A 53 -1.193 1.281 -18.162 1.00 4.44 H new ATOM 0 HB2 LYS A 53 -1.672 2.405 -15.548 1.00 73.24 H new ATOM 0 HB3 LYS A 53 -1.136 3.691 -16.611 1.00 73.24 H new ATOM 0 HG2 LYS A 53 -2.903 2.995 -18.264 1.00 24.54 H new ATOM 0 HG3 LYS A 53 -3.474 1.811 -17.106 1.00 24.54 H new ATOM 0 HD2 LYS A 53 -4.872 3.555 -16.550 1.00 20.34 H new ATOM 0 HD3 LYS A 53 -3.540 3.921 -15.472 1.00 20.34 H new ATOM 0 HE2 LYS A 53 -3.496 5.057 -18.263 1.00 43.44 H new ATOM 0 HE3 LYS A 53 -4.566 5.780 -17.078 1.00 43.44 H new ATOM 0 HZ1 LYS A 53 -2.831 6.900 -16.317 1.00 34.04 H new ATOM 0 HZ2 LYS A 53 -2.117 5.446 -15.807 1.00 34.04 H new ATOM 0 HZ3 LYS A 53 -1.766 6.070 -17.347 1.00 34.04 H new ATOM 719 N SER A 54 1.382 2.965 -16.926 1.00 10.22 N ATOM 720 CA SER A 54 2.588 3.695 -17.298 1.00 65.53 C ATOM 721 C SER A 54 3.492 2.836 -18.178 1.00 42.33 C ATOM 722 O SER A 54 4.021 3.304 -19.186 1.00 61.02 O ATOM 723 CB SER A 54 3.348 4.138 -16.047 1.00 4.31 C ATOM 724 OG SER A 54 4.186 5.247 -16.325 1.00 52.12 O ATOM 0 H SER A 54 1.230 2.887 -15.920 1.00 10.22 H new ATOM 0 HA SER A 54 2.289 4.577 -17.864 1.00 65.53 H new ATOM 0 HB2 SER A 54 2.640 4.401 -15.262 1.00 4.31 H new ATOM 0 HB3 SER A 54 3.948 3.310 -15.670 1.00 4.31 H new ATOM 0 HG SER A 54 4.659 5.512 -15.509 1.00 52.12 H new ATOM 730 N ALA A 55 3.664 1.577 -17.789 1.00 1.32 N ATOM 731 CA ALA A 55 4.502 0.652 -18.542 1.00 54.31 C ATOM 732 C ALA A 55 3.927 0.398 -19.932 1.00 11.44 C ATOM 733 O ALA A 55 4.653 0.039 -20.858 1.00 2.32 O ATOM 734 CB ALA A 55 4.654 -0.658 -17.784 1.00 70.34 C ATOM 0 H ALA A 55 3.234 1.174 -16.956 1.00 1.32 H new ATOM 0 HA ALA A 55 5.486 1.106 -18.662 1.00 54.31 H new ATOM 0 HB1 ALA A 55 5.282 -1.340 -18.358 1.00 70.34 H new ATOM 0 HB2 ALA A 55 5.116 -0.467 -16.816 1.00 70.34 H new ATOM 0 HB3 ALA A 55 3.673 -1.108 -17.635 1.00 70.34 H new ATOM 740 N ALA A 56 2.619 0.587 -20.069 1.00 74.12 N ATOM 741 CA ALA A 56 1.947 0.379 -21.346 1.00 41.42 C ATOM 742 C ALA A 56 2.281 1.496 -22.330 1.00 21.22 C ATOM 743 O ALA A 56 2.378 1.267 -23.535 1.00 22.54 O ATOM 744 CB ALA A 56 0.442 0.286 -21.142 1.00 62.11 C ATOM 0 H ALA A 56 2.004 0.884 -19.312 1.00 74.12 H new ATOM 0 HA ALA A 56 2.304 -0.561 -21.767 1.00 41.42 H new ATOM 0 HB1 ALA A 56 -0.047 0.131 -22.104 1.00 62.11 H new ATOM 0 HB2 ALA A 56 0.215 -0.550 -20.481 1.00 62.11 H new ATOM 0 HB3 ALA A 56 0.078 1.211 -20.695 1.00 62.11 H new ATOM 750 N GLY A 57 2.455 2.706 -21.808 1.00 4.25 N ATOM 751 CA GLY A 57 2.776 3.840 -22.654 1.00 53.43 C ATOM 752 C GLY A 57 4.050 3.630 -23.448 1.00 31.20 C ATOM 753 O GLY A 57 4.249 4.251 -24.492 1.00 74.31 O ATOM 0 H GLY A 57 2.379 2.921 -20.814 1.00 4.25 H new ATOM 0 HA2 GLY A 57 1.950 4.022 -23.341 1.00 53.43 H new ATOM 0 HA3 GLY A 57 2.880 4.732 -22.036 1.00 53.43 H new ATOM 757 N SER A 58 4.916 2.753 -22.951 1.00 64.34 N ATOM 758 CA SER A 58 6.181 2.466 -23.618 1.00 40.05 C ATOM 759 C SER A 58 6.026 1.311 -24.603 1.00 22.21 C ATOM 760 O SER A 58 6.994 0.887 -25.236 1.00 34.42 O ATOM 761 CB SER A 58 7.261 2.132 -22.588 1.00 22.40 C ATOM 762 OG SER A 58 7.140 2.951 -21.438 1.00 44.12 O ATOM 0 H SER A 58 4.765 2.229 -22.089 1.00 64.34 H new ATOM 0 HA SER A 58 6.481 3.355 -24.172 1.00 40.05 H new ATOM 0 HB2 SER A 58 7.183 1.083 -22.301 1.00 22.40 H new ATOM 0 HB3 SER A 58 8.247 2.268 -23.033 1.00 22.40 H new ATOM 0 HG SER A 58 7.841 2.717 -20.794 1.00 44.12 H new ATOM 768 N ILE A 59 4.803 0.807 -24.726 1.00 70.30 N ATOM 769 CA ILE A 59 4.520 -0.298 -25.634 1.00 25.45 C ATOM 770 C ILE A 59 3.773 0.185 -26.872 1.00 32.53 C ATOM 771 O ILE A 59 2.868 1.015 -26.780 1.00 71.15 O ATOM 772 CB ILE A 59 3.691 -1.396 -24.942 1.00 72.53 C ATOM 773 CG1 ILE A 59 4.174 -1.603 -23.505 1.00 40.23 C ATOM 774 CG2 ILE A 59 3.775 -2.697 -25.727 1.00 61.02 C ATOM 775 CD1 ILE A 59 3.425 -2.690 -22.766 1.00 43.32 C ATOM 0 H ILE A 59 3.992 1.146 -24.208 1.00 70.30 H new ATOM 0 HA ILE A 59 5.481 -0.715 -25.934 1.00 25.45 H new ATOM 0 HB ILE A 59 2.649 -1.078 -24.912 1.00 72.53 H new ATOM 0 HG12 ILE A 59 5.236 -1.850 -23.519 1.00 40.23 H new ATOM 0 HG13 ILE A 59 4.072 -0.666 -22.957 1.00 40.23 H new ATOM 0 HG21 ILE A 59 3.184 -3.463 -25.225 1.00 61.02 H new ATOM 0 HG22 ILE A 59 3.387 -2.540 -26.733 1.00 61.02 H new ATOM 0 HG23 ILE A 59 4.814 -3.020 -25.785 1.00 61.02 H new ATOM 0 HD11 ILE A 59 3.821 -2.781 -21.754 1.00 43.32 H new ATOM 0 HD12 ILE A 59 2.366 -2.436 -22.720 1.00 43.32 H new ATOM 0 HD13 ILE A 59 3.548 -3.638 -23.290 1.00 43.32 H new ATOM 787 N THR A 60 4.156 -0.342 -28.031 1.00 33.53 N ATOM 788 CA THR A 60 3.522 0.034 -29.288 1.00 33.31 C ATOM 789 C THR A 60 2.578 -1.059 -29.776 1.00 75.01 C ATOM 790 O THR A 60 1.584 -0.781 -30.449 1.00 23.34 O ATOM 791 CB THR A 60 4.568 0.318 -30.382 1.00 2.43 C ATOM 792 OG1 THR A 60 3.962 1.030 -31.466 1.00 50.14 O ATOM 793 CG2 THR A 60 5.179 -0.976 -30.896 1.00 60.24 C ATOM 0 H THR A 60 4.903 -1.031 -28.125 1.00 33.53 H new ATOM 0 HA THR A 60 2.953 0.943 -29.095 1.00 33.31 H new ATOM 0 HB THR A 60 5.361 0.927 -29.947 1.00 2.43 H new ATOM 0 HG1 THR A 60 4.634 1.208 -32.157 1.00 50.14 H new ATOM 0 HG21 THR A 60 5.915 -0.750 -31.668 1.00 60.24 H new ATOM 0 HG22 THR A 60 5.665 -1.500 -30.074 1.00 60.24 H new ATOM 0 HG23 THR A 60 4.395 -1.607 -31.316 1.00 60.24 H new ATOM 801 N LYS A 61 2.893 -2.303 -29.433 1.00 73.42 N ATOM 802 CA LYS A 61 2.072 -3.439 -29.835 1.00 35.55 C ATOM 803 C LYS A 61 1.038 -3.769 -28.763 1.00 34.14 C ATOM 804 O LYS A 61 0.435 -4.843 -28.776 1.00 60.32 O ATOM 805 CB LYS A 61 2.952 -4.662 -30.102 1.00 20.30 C ATOM 806 CG LYS A 61 3.680 -4.608 -31.434 1.00 73.11 C ATOM 807 CD LYS A 61 2.737 -4.874 -32.596 1.00 11.13 C ATOM 808 CE LYS A 61 2.645 -6.359 -32.911 1.00 24.12 C ATOM 809 NZ LYS A 61 3.676 -6.781 -33.900 1.00 10.23 N ATOM 0 H LYS A 61 3.712 -2.550 -28.877 1.00 73.42 H new ATOM 0 HA LYS A 61 1.547 -3.169 -30.751 1.00 35.55 H new ATOM 0 HB2 LYS A 61 3.685 -4.754 -29.300 1.00 20.30 H new ATOM 0 HB3 LYS A 61 2.333 -5.558 -30.072 1.00 20.30 H new ATOM 0 HG2 LYS A 61 4.143 -3.629 -31.557 1.00 73.11 H new ATOM 0 HG3 LYS A 61 4.484 -5.344 -31.441 1.00 73.11 H new ATOM 0 HD2 LYS A 61 1.745 -4.490 -32.356 1.00 11.13 H new ATOM 0 HD3 LYS A 61 3.083 -4.335 -33.478 1.00 11.13 H new ATOM 0 HE2 LYS A 61 2.766 -6.933 -31.993 1.00 24.12 H new ATOM 0 HE3 LYS A 61 1.653 -6.587 -33.301 1.00 24.12 H new ATOM 0 HZ1 LYS A 61 3.580 -7.799 -34.088 1.00 10.23 H new ATOM 0 HZ2 LYS A 61 3.545 -6.251 -34.785 1.00 10.23 H new ATOM 0 HZ3 LYS A 61 4.624 -6.587 -33.518 1.00 10.23 H new ATOM 823 N LEU A 62 0.836 -2.839 -27.836 1.00 54.21 N ATOM 824 CA LEU A 62 -0.127 -3.030 -26.757 1.00 54.01 C ATOM 825 C LEU A 62 -1.550 -3.096 -27.303 1.00 33.34 C ATOM 826 O LEU A 62 -1.995 -2.197 -28.014 1.00 53.20 O ATOM 827 CB LEU A 62 -0.012 -1.896 -25.737 1.00 54.44 C ATOM 828 CG LEU A 62 -1.055 -1.890 -24.619 1.00 23.54 C ATOM 829 CD1 LEU A 62 -0.747 -2.975 -23.598 1.00 35.30 C ATOM 830 CD2 LEU A 62 -1.111 -0.525 -23.948 1.00 61.53 C ATOM 0 H LEU A 62 1.326 -1.945 -27.810 1.00 54.21 H new ATOM 0 HA LEU A 62 0.098 -3.976 -26.265 1.00 54.01 H new ATOM 0 HB2 LEU A 62 0.978 -1.942 -25.283 1.00 54.44 H new ATOM 0 HB3 LEU A 62 -0.075 -0.947 -26.270 1.00 54.44 H new ATOM 0 HG LEU A 62 -2.031 -2.097 -25.057 1.00 23.54 H new ATOM 0 HD11 LEU A 62 -1.499 -2.957 -22.809 1.00 35.30 H new ATOM 0 HD12 LEU A 62 -0.758 -3.949 -24.087 1.00 35.30 H new ATOM 0 HD13 LEU A 62 0.237 -2.798 -23.165 1.00 35.30 H new ATOM 0 HD21 LEU A 62 -1.859 -0.540 -23.155 1.00 61.53 H new ATOM 0 HD22 LEU A 62 -0.136 -0.288 -23.523 1.00 61.53 H new ATOM 0 HD23 LEU A 62 -1.379 0.232 -24.685 1.00 61.53 H new ATOM 842 N ASN A 63 -2.260 -4.167 -26.962 1.00 63.41 N ATOM 843 CA ASN A 63 -3.633 -4.350 -27.417 1.00 34.45 C ATOM 844 C ASN A 63 -4.621 -4.085 -26.284 1.00 61.12 C ATOM 845 O ASN A 63 -4.991 -4.995 -25.542 1.00 33.13 O ATOM 846 CB ASN A 63 -3.829 -5.768 -27.957 1.00 72.31 C ATOM 847 CG ASN A 63 -3.105 -5.991 -29.271 1.00 74.20 C ATOM 848 OD1 ASN A 63 -1.895 -5.789 -29.368 1.00 21.13 O ATOM 849 ND2 ASN A 63 -3.846 -6.410 -30.291 1.00 11.33 N ATOM 0 H ASN A 63 -1.907 -4.921 -26.372 1.00 63.41 H new ATOM 0 HA ASN A 63 -3.823 -3.634 -28.217 1.00 34.45 H new ATOM 0 HB2 ASN A 63 -3.470 -6.487 -27.221 1.00 72.31 H new ATOM 0 HB3 ASN A 63 -4.893 -5.958 -28.095 1.00 72.31 H new ATOM 0 HD21 ASN A 63 -3.415 -6.577 -31.200 1.00 11.33 H new ATOM 0 HD22 ASN A 63 -4.846 -6.565 -30.165 1.00 11.33 H new ATOM 856 N THR A 64 -5.045 -2.831 -26.158 1.00 21.45 N ATOM 857 CA THR A 64 -5.989 -2.445 -25.116 1.00 64.23 C ATOM 858 C THR A 64 -7.205 -3.364 -25.109 1.00 11.14 C ATOM 859 O THR A 64 -7.831 -3.571 -24.070 1.00 74.02 O ATOM 860 CB THR A 64 -6.460 -0.990 -25.297 1.00 3.23 C ATOM 861 OG1 THR A 64 -7.214 -0.866 -26.508 1.00 3.53 O ATOM 862 CG2 THR A 64 -5.274 -0.038 -25.332 1.00 1.44 C ATOM 0 H THR A 64 -4.750 -2.066 -26.764 1.00 21.45 H new ATOM 0 HA THR A 64 -5.465 -2.534 -24.165 1.00 64.23 H new ATOM 0 HB THR A 64 -7.091 -0.727 -24.448 1.00 3.23 H new ATOM 0 HG1 THR A 64 -7.511 0.062 -26.615 1.00 3.53 H new ATOM 0 HG21 THR A 64 -5.631 0.984 -25.461 1.00 1.44 H new ATOM 0 HG22 THR A 64 -4.719 -0.113 -24.397 1.00 1.44 H new ATOM 0 HG23 THR A 64 -4.621 -0.301 -26.164 1.00 1.44 H new ATOM 870 N ASN A 65 -7.534 -3.913 -26.274 1.00 4.25 N ATOM 871 CA ASN A 65 -8.676 -4.810 -26.400 1.00 71.43 C ATOM 872 C ASN A 65 -8.461 -6.083 -25.587 1.00 21.10 C ATOM 873 O ASN A 65 -9.368 -6.555 -24.903 1.00 22.40 O ATOM 874 CB ASN A 65 -8.912 -5.165 -27.870 1.00 12.21 C ATOM 875 CG ASN A 65 -9.858 -4.196 -28.553 1.00 72.44 C ATOM 876 OD1 ASN A 65 -9.924 -3.020 -28.197 1.00 42.24 O ATOM 877 ND2 ASN A 65 -10.597 -4.689 -29.541 1.00 10.11 N ATOM 0 H ASN A 65 -7.026 -3.752 -27.144 1.00 4.25 H new ATOM 0 HA ASN A 65 -9.555 -4.296 -26.011 1.00 71.43 H new ATOM 0 HB2 ASN A 65 -7.958 -5.170 -28.398 1.00 12.21 H new ATOM 0 HB3 ASN A 65 -9.319 -6.174 -27.937 1.00 12.21 H new ATOM 0 HD21 ASN A 65 -11.252 -4.085 -30.038 1.00 10.11 H new ATOM 0 HD22 ASN A 65 -10.509 -5.671 -29.803 1.00 10.11 H new ATOM 884 N ASN A 66 -7.253 -6.633 -25.667 1.00 14.33 N ATOM 885 CA ASN A 66 -6.918 -7.851 -24.938 1.00 14.20 C ATOM 886 C ASN A 66 -6.694 -7.555 -23.458 1.00 62.12 C ATOM 887 O ASN A 66 -6.726 -8.458 -22.623 1.00 2.14 O ATOM 888 CB ASN A 66 -5.668 -8.500 -25.535 1.00 53.24 C ATOM 889 CG ASN A 66 -5.909 -9.041 -26.931 1.00 62.05 C ATOM 890 OD1 ASN A 66 -6.923 -9.688 -27.192 1.00 54.43 O ATOM 891 ND2 ASN A 66 -4.973 -8.778 -27.837 1.00 34.42 N ATOM 0 H ASN A 66 -6.491 -6.255 -26.229 1.00 14.33 H new ATOM 0 HA ASN A 66 -7.756 -8.542 -25.029 1.00 14.20 H new ATOM 0 HB2 ASN A 66 -4.861 -7.768 -25.566 1.00 53.24 H new ATOM 0 HB3 ASN A 66 -5.338 -9.311 -24.886 1.00 53.24 H new ATOM 0 HD21 ASN A 66 -5.079 -9.117 -28.793 1.00 34.42 H new ATOM 0 HD22 ASN A 66 -4.148 -8.238 -27.576 1.00 34.42 H new ATOM 898 N ALA A 67 -6.467 -6.284 -23.142 1.00 72.31 N ATOM 899 CA ALA A 67 -6.240 -5.869 -21.764 1.00 10.24 C ATOM 900 C ALA A 67 -7.547 -5.834 -20.978 1.00 63.32 C ATOM 901 O ALA A 67 -7.590 -6.220 -19.810 1.00 51.24 O ATOM 902 CB ALA A 67 -5.564 -4.506 -21.728 1.00 33.04 C ATOM 0 H ALA A 67 -6.436 -5.524 -23.822 1.00 72.31 H new ATOM 0 HA ALA A 67 -5.583 -6.601 -21.294 1.00 10.24 H new ATOM 0 HB1 ALA A 67 -5.400 -4.208 -20.692 1.00 33.04 H new ATOM 0 HB2 ALA A 67 -4.606 -4.561 -22.245 1.00 33.04 H new ATOM 0 HB3 ALA A 67 -6.201 -3.771 -22.221 1.00 33.04 H new ATOM 908 N ALA A 68 -8.609 -5.369 -21.627 1.00 34.52 N ATOM 909 CA ALA A 68 -9.917 -5.286 -20.989 1.00 34.10 C ATOM 910 C ALA A 68 -10.568 -6.662 -20.889 1.00 11.41 C ATOM 911 O ALA A 68 -11.246 -6.968 -19.909 1.00 12.13 O ATOM 912 CB ALA A 68 -10.818 -4.329 -21.755 1.00 51.51 C ATOM 0 H ALA A 68 -8.589 -5.044 -22.594 1.00 34.52 H new ATOM 0 HA ALA A 68 -9.776 -4.905 -19.977 1.00 34.10 H new ATOM 0 HB1 ALA A 68 -11.791 -4.277 -21.267 1.00 51.51 H new ATOM 0 HB2 ALA A 68 -10.366 -3.337 -21.770 1.00 51.51 H new ATOM 0 HB3 ALA A 68 -10.943 -4.686 -22.777 1.00 51.51 H new ATOM 918 N ALA A 69 -10.358 -7.486 -21.910 1.00 24.35 N ATOM 919 CA ALA A 69 -10.923 -8.830 -21.935 1.00 42.43 C ATOM 920 C ALA A 69 -10.016 -9.821 -21.213 1.00 52.42 C ATOM 921 O ALA A 69 -10.411 -10.956 -20.943 1.00 2.32 O ATOM 922 CB ALA A 69 -11.158 -9.276 -23.371 1.00 12.32 C ATOM 0 H ALA A 69 -9.801 -7.247 -22.730 1.00 24.35 H new ATOM 0 HA ALA A 69 -11.879 -8.806 -21.412 1.00 42.43 H new ATOM 0 HB1 ALA A 69 -11.580 -10.281 -23.375 1.00 12.32 H new ATOM 0 HB2 ALA A 69 -11.851 -8.589 -23.856 1.00 12.32 H new ATOM 0 HB3 ALA A 69 -10.211 -9.278 -23.911 1.00 12.32 H new ATOM 928 N LEU A 70 -8.800 -9.385 -20.904 1.00 63.41 N ATOM 929 CA LEU A 70 -7.836 -10.235 -20.213 1.00 62.13 C ATOM 930 C LEU A 70 -8.410 -10.753 -18.899 1.00 34.22 C ATOM 931 O LEU A 70 -8.537 -11.958 -18.680 1.00 72.25 O ATOM 932 CB LEU A 70 -6.543 -9.462 -19.948 1.00 63.14 C ATOM 933 CG LEU A 70 -5.758 -9.873 -18.702 1.00 34.12 C ATOM 934 CD1 LEU A 70 -5.377 -11.344 -18.772 1.00 14.34 C ATOM 935 CD2 LEU A 70 -4.518 -9.006 -18.542 1.00 12.10 C ATOM 0 H LEU A 70 -8.458 -8.449 -21.121 1.00 63.41 H new ATOM 0 HA LEU A 70 -7.617 -11.089 -20.854 1.00 62.13 H new ATOM 0 HB2 LEU A 70 -5.893 -9.573 -20.816 1.00 63.14 H new ATOM 0 HB3 LEU A 70 -6.787 -8.403 -19.866 1.00 63.14 H new ATOM 0 HG LEU A 70 -6.395 -9.725 -17.830 1.00 34.12 H new ATOM 0 HD11 LEU A 70 -4.819 -11.618 -17.877 1.00 14.34 H new ATOM 0 HD12 LEU A 70 -6.280 -11.951 -18.837 1.00 14.34 H new ATOM 0 HD13 LEU A 70 -4.759 -11.518 -19.653 1.00 14.34 H new ATOM 0 HD21 LEU A 70 -3.972 -9.313 -17.650 1.00 12.10 H new ATOM 0 HD22 LEU A 70 -3.878 -9.121 -19.417 1.00 12.10 H new ATOM 0 HD23 LEU A 70 -4.814 -7.962 -18.444 1.00 12.10 H new ATOM 947 N PRO A 71 -8.769 -9.823 -18.002 1.00 2.32 N ATOM 948 CA PRO A 71 -9.339 -10.161 -16.694 1.00 63.54 C ATOM 949 C PRO A 71 -10.747 -10.736 -16.807 1.00 3.10 C ATOM 950 O PRO A 71 -11.185 -11.503 -15.951 1.00 11.02 O ATOM 951 CB PRO A 71 -9.366 -8.818 -15.961 1.00 33.44 C ATOM 952 CG PRO A 71 -9.425 -7.797 -17.043 1.00 53.50 C ATOM 953 CD PRO A 71 -8.646 -8.368 -18.195 1.00 21.00 C ATOM 0 HA PRO A 71 -8.759 -10.929 -16.182 1.00 63.54 H new ATOM 0 HB2 PRO A 71 -10.230 -8.745 -15.300 1.00 33.44 H new ATOM 0 HB3 PRO A 71 -8.479 -8.687 -15.341 1.00 33.44 H new ATOM 0 HG2 PRO A 71 -10.456 -7.594 -17.332 1.00 53.50 H new ATOM 0 HG3 PRO A 71 -8.995 -6.852 -16.711 1.00 53.50 H new ATOM 0 HD2 PRO A 71 -9.058 -8.054 -19.154 1.00 21.00 H new ATOM 0 HD3 PRO A 71 -7.605 -8.046 -18.175 1.00 21.00 H new ATOM 961 N GLY A 72 -11.451 -10.360 -17.870 1.00 14.40 N ATOM 962 CA GLY A 72 -12.803 -10.848 -18.075 1.00 3.52 C ATOM 963 C GLY A 72 -12.835 -12.294 -18.526 1.00 64.23 C ATOM 964 O GLY A 72 -13.653 -13.083 -18.053 1.00 1.24 O ATOM 0 H GLY A 72 -11.110 -9.726 -18.593 1.00 14.40 H new ATOM 0 HA2 GLY A 72 -13.367 -10.747 -17.148 1.00 3.52 H new ATOM 0 HA3 GLY A 72 -13.301 -10.227 -18.820 1.00 3.52 H new ATOM 968 N LYS A 73 -11.943 -12.645 -19.446 1.00 44.15 N ATOM 969 CA LYS A 73 -11.871 -14.006 -19.964 1.00 22.34 C ATOM 970 C LYS A 73 -11.360 -14.968 -18.895 1.00 52.12 C ATOM 971 O LYS A 73 -11.506 -16.184 -19.019 1.00 72.33 O ATOM 972 CB LYS A 73 -10.959 -14.060 -21.191 1.00 62.22 C ATOM 973 CG LYS A 73 -11.689 -13.825 -22.502 1.00 61.12 C ATOM 974 CD LYS A 73 -10.718 -13.583 -23.646 1.00 20.43 C ATOM 975 CE LYS A 73 -11.389 -12.860 -24.803 1.00 72.34 C ATOM 976 NZ LYS A 73 -10.884 -13.335 -26.121 1.00 40.24 N ATOM 0 H LYS A 73 -11.259 -12.005 -19.849 1.00 44.15 H new ATOM 0 HA LYS A 73 -12.877 -14.311 -20.253 1.00 22.34 H new ATOM 0 HB2 LYS A 73 -10.174 -13.312 -21.083 1.00 62.22 H new ATOM 0 HB3 LYS A 73 -10.469 -15.033 -21.227 1.00 62.22 H new ATOM 0 HG2 LYS A 73 -12.314 -14.688 -22.731 1.00 61.12 H new ATOM 0 HG3 LYS A 73 -12.354 -12.967 -22.400 1.00 61.12 H new ATOM 0 HD2 LYS A 73 -9.873 -12.994 -23.289 1.00 20.43 H new ATOM 0 HD3 LYS A 73 -10.319 -14.536 -23.993 1.00 20.43 H new ATOM 0 HE2 LYS A 73 -12.467 -13.013 -24.751 1.00 72.34 H new ATOM 0 HE3 LYS A 73 -11.214 -11.788 -24.712 1.00 72.34 H new ATOM 0 HZ1 LYS A 73 -11.366 -12.818 -26.884 1.00 40.24 H new ATOM 0 HZ2 LYS A 73 -9.860 -13.166 -26.182 1.00 40.24 H new ATOM 0 HZ3 LYS A 73 -11.074 -14.353 -26.219 1.00 40.24 H new ATOM 990 N CYS A 74 -10.762 -14.415 -17.845 1.00 71.12 N ATOM 991 CA CYS A 74 -10.231 -15.223 -16.754 1.00 43.02 C ATOM 992 C CYS A 74 -11.323 -15.557 -15.742 1.00 51.34 C ATOM 993 O CYS A 74 -11.169 -16.460 -14.922 1.00 30.40 O ATOM 994 CB CYS A 74 -9.084 -14.487 -16.059 1.00 23.12 C ATOM 995 SG CYS A 74 -7.555 -14.391 -17.046 1.00 14.25 S ATOM 0 H CYS A 74 -10.633 -13.410 -17.727 1.00 71.12 H new ATOM 0 HA CYS A 74 -9.854 -16.155 -17.175 1.00 43.02 H new ATOM 0 HB2 CYS A 74 -9.410 -13.476 -15.815 1.00 23.12 H new ATOM 0 HB3 CYS A 74 -8.864 -14.987 -15.116 1.00 23.12 H new ATOM 1000 N GLY A 75 -12.428 -14.820 -15.808 1.00 11.12 N ATOM 1001 CA GLY A 75 -13.530 -15.053 -14.893 1.00 11.42 C ATOM 1002 C GLY A 75 -13.558 -14.054 -13.753 1.00 10.30 C ATOM 1003 O GLY A 75 -14.567 -13.919 -13.060 1.00 41.04 O ATOM 0 H GLY A 75 -12.579 -14.066 -16.478 1.00 11.12 H new ATOM 0 HA2 GLY A 75 -14.471 -15.001 -15.441 1.00 11.42 H new ATOM 0 HA3 GLY A 75 -13.454 -16.061 -14.487 1.00 11.42 H new ATOM 1007 N VAL A 76 -12.447 -13.352 -13.556 1.00 5.22 N ATOM 1008 CA VAL A 76 -12.347 -12.360 -12.491 1.00 71.44 C ATOM 1009 C VAL A 76 -12.909 -11.016 -12.939 1.00 1.42 C ATOM 1010 O VAL A 76 -12.703 -10.593 -14.075 1.00 50.25 O ATOM 1011 CB VAL A 76 -10.888 -12.169 -12.037 1.00 21.20 C ATOM 1012 CG1 VAL A 76 -9.998 -11.833 -13.224 1.00 73.52 C ATOM 1013 CG2 VAL A 76 -10.800 -11.087 -10.971 1.00 64.23 C ATOM 0 H VAL A 76 -11.603 -13.452 -14.120 1.00 5.22 H new ATOM 0 HA VAL A 76 -12.934 -12.735 -11.652 1.00 71.44 H new ATOM 0 HB VAL A 76 -10.535 -13.105 -11.603 1.00 21.20 H new ATOM 0 HG11 VAL A 76 -8.971 -11.702 -12.883 1.00 73.52 H new ATOM 0 HG12 VAL A 76 -10.038 -12.645 -13.950 1.00 73.52 H new ATOM 0 HG13 VAL A 76 -10.346 -10.911 -13.690 1.00 73.52 H new ATOM 0 HG21 VAL A 76 -9.762 -10.965 -10.661 1.00 64.23 H new ATOM 0 HG22 VAL A 76 -11.171 -10.146 -11.377 1.00 64.23 H new ATOM 0 HG23 VAL A 76 -11.404 -11.374 -10.110 1.00 64.23 H new ATOM 1132 N SER A 83 -9.415 0.584 -17.768 1.00 4.44 N ATOM 1133 CA SER A 83 -9.504 1.846 -18.493 1.00 2.43 C ATOM 1134 C SER A 83 -8.182 2.606 -18.426 1.00 71.44 C ATOM 1135 O SER A 83 -7.826 3.168 -17.390 1.00 53.54 O ATOM 1136 CB SER A 83 -10.630 2.709 -17.920 1.00 41.43 C ATOM 1137 OG SER A 83 -10.610 4.011 -18.480 1.00 4.22 O ATOM 0 HA SER A 83 -9.722 1.622 -19.537 1.00 2.43 H new ATOM 0 HB2 SER A 83 -11.592 2.238 -18.121 1.00 41.43 H new ATOM 0 HB3 SER A 83 -10.527 2.774 -16.837 1.00 41.43 H new ATOM 0 HG SER A 83 -11.125 4.620 -17.911 1.00 4.22 H new ATOM 1143 N THR A 84 -7.457 2.617 -19.541 1.00 2.04 N ATOM 1144 CA THR A 84 -6.174 3.305 -19.610 1.00 40.14 C ATOM 1145 C THR A 84 -6.359 4.818 -19.572 1.00 64.21 C ATOM 1146 O THR A 84 -5.390 5.570 -19.457 1.00 31.23 O ATOM 1147 CB THR A 84 -5.402 2.926 -20.888 1.00 62.22 C ATOM 1148 OG1 THR A 84 -6.320 2.650 -21.952 1.00 31.13 O ATOM 1149 CG2 THR A 84 -4.518 1.711 -20.646 1.00 55.21 C ATOM 0 H THR A 84 -7.737 2.157 -20.408 1.00 2.04 H new ATOM 0 HA THR A 84 -5.599 2.990 -18.739 1.00 40.14 H new ATOM 0 HB THR A 84 -4.768 3.768 -21.166 1.00 62.22 H new ATOM 0 HG1 THR A 84 -5.821 2.412 -22.761 1.00 31.13 H new ATOM 0 HG21 THR A 84 -3.983 1.462 -21.562 1.00 55.21 H new ATOM 0 HG22 THR A 84 -3.801 1.934 -19.856 1.00 55.21 H new ATOM 0 HG23 THR A 84 -5.136 0.865 -20.346 1.00 55.21 H new ATOM 1157 N THR A 85 -7.609 5.260 -19.669 1.00 62.51 N ATOM 1158 CA THR A 85 -7.920 6.683 -19.646 1.00 15.01 C ATOM 1159 C THR A 85 -8.300 7.140 -18.242 1.00 42.10 C ATOM 1160 O THR A 85 -8.151 8.313 -17.898 1.00 1.13 O ATOM 1161 CB THR A 85 -9.071 7.022 -20.612 1.00 71.03 C ATOM 1162 OG1 THR A 85 -10.306 6.505 -20.104 1.00 50.11 O ATOM 1163 CG2 THR A 85 -8.805 6.445 -21.994 1.00 44.25 C ATOM 0 H THR A 85 -8.422 4.652 -19.764 1.00 62.51 H new ATOM 0 HA THR A 85 -7.020 7.208 -19.966 1.00 15.01 H new ATOM 0 HB THR A 85 -9.138 8.107 -20.695 1.00 71.03 H new ATOM 0 HG1 THR A 85 -10.135 5.678 -19.607 1.00 50.11 H new ATOM 0 HG21 THR A 85 -9.631 6.697 -22.659 1.00 44.25 H new ATOM 0 HG22 THR A 85 -7.880 6.863 -22.391 1.00 44.25 H new ATOM 0 HG23 THR A 85 -8.713 5.361 -21.924 1.00 44.25 H new ATOM 1171 N THR A 86 -8.791 6.206 -17.433 1.00 4.31 N ATOM 1172 CA THR A 86 -9.192 6.513 -16.066 1.00 3.51 C ATOM 1173 C THR A 86 -7.977 6.677 -15.160 1.00 23.42 C ATOM 1174 O THR A 86 -6.963 6.003 -15.338 1.00 32.52 O ATOM 1175 CB THR A 86 -10.105 5.416 -15.488 1.00 61.33 C ATOM 1176 OG1 THR A 86 -11.292 5.299 -16.281 1.00 22.51 O ATOM 1177 CG2 THR A 86 -10.480 5.727 -14.047 1.00 71.32 C ATOM 0 H THR A 86 -8.920 5.230 -17.701 1.00 4.31 H new ATOM 0 HA THR A 86 -9.744 7.452 -16.102 1.00 3.51 H new ATOM 0 HB THR A 86 -9.560 4.472 -15.509 1.00 61.33 H new ATOM 0 HG1 THR A 86 -11.867 4.598 -15.908 1.00 22.51 H new ATOM 0 HG21 THR A 86 -11.125 4.938 -13.661 1.00 71.32 H new ATOM 0 HG22 THR A 86 -9.576 5.786 -13.441 1.00 71.32 H new ATOM 0 HG23 THR A 86 -11.008 6.680 -14.006 1.00 71.32 H new ATOM 1185 N ASN A 87 -8.086 7.576 -14.187 1.00 72.31 N ATOM 1186 CA ASN A 87 -6.995 7.827 -13.252 1.00 53.14 C ATOM 1187 C ASN A 87 -7.024 6.826 -12.101 1.00 64.04 C ATOM 1188 O ASN A 87 -7.865 6.916 -11.207 1.00 22.45 O ATOM 1189 CB ASN A 87 -7.083 9.253 -12.705 1.00 14.10 C ATOM 1190 CG ASN A 87 -5.906 9.605 -11.816 1.00 71.02 C ATOM 1191 OD1 ASN A 87 -4.966 8.823 -11.674 1.00 21.01 O ATOM 1192 ND2 ASN A 87 -5.953 10.787 -11.213 1.00 30.02 N ATOM 0 H ASN A 87 -8.919 8.143 -14.025 1.00 72.31 H new ATOM 0 HA ASN A 87 -6.054 7.708 -13.789 1.00 53.14 H new ATOM 0 HB2 ASN A 87 -7.130 9.956 -13.537 1.00 14.10 H new ATOM 0 HB3 ASN A 87 -8.008 9.366 -12.140 1.00 14.10 H new ATOM 0 HD21 ASN A 87 -5.190 11.079 -10.603 1.00 30.02 H new ATOM 0 HD22 ASN A 87 -6.753 11.403 -11.360 1.00 30.02 H new ATOM 1199 N CYS A 88 -6.098 5.873 -12.131 1.00 33.32 N ATOM 1200 CA CYS A 88 -6.016 4.854 -11.091 1.00 42.20 C ATOM 1201 C CYS A 88 -5.541 5.460 -9.773 1.00 34.50 C ATOM 1202 O CYS A 88 -5.594 4.814 -8.727 1.00 72.02 O ATOM 1203 CB CYS A 88 -5.068 3.733 -11.520 1.00 65.14 C ATOM 1204 SG CYS A 88 -5.318 3.162 -13.232 1.00 35.41 S ATOM 0 H CYS A 88 -5.394 5.785 -12.864 1.00 33.32 H new ATOM 0 HA CYS A 88 -7.013 4.440 -10.943 1.00 42.20 H new ATOM 0 HB2 CYS A 88 -4.040 4.079 -11.410 1.00 65.14 H new ATOM 0 HB3 CYS A 88 -5.193 2.887 -10.844 1.00 65.14 H new ATOM 1209 N ASN A 89 -5.078 6.704 -9.833 1.00 33.15 N ATOM 1210 CA ASN A 89 -4.594 7.397 -8.644 1.00 72.01 C ATOM 1211 C ASN A 89 -5.753 8.004 -7.858 1.00 63.34 C ATOM 1212 O ASN A 89 -5.602 8.372 -6.693 1.00 13.10 O ATOM 1213 CB ASN A 89 -3.600 8.492 -9.036 1.00 53.13 C ATOM 1214 CG ASN A 89 -2.478 7.968 -9.911 1.00 62.00 C ATOM 1215 OD1 ASN A 89 -2.717 7.443 -10.999 1.00 1.42 O ATOM 1216 ND2 ASN A 89 -1.245 8.108 -9.438 1.00 61.11 N ATOM 0 H ASN A 89 -5.028 7.253 -10.691 1.00 33.15 H new ATOM 0 HA ASN A 89 -4.090 6.668 -8.009 1.00 72.01 H new ATOM 0 HB2 ASN A 89 -4.128 9.286 -9.564 1.00 53.13 H new ATOM 0 HB3 ASN A 89 -3.177 8.935 -8.134 1.00 53.13 H new ATOM 0 HD21 ASN A 89 -0.449 7.774 -9.982 1.00 61.11 H new ATOM 0 HD22 ASN A 89 -1.094 8.549 -8.531 1.00 61.11 H new ATOM 1223 N THR A 90 -6.910 8.104 -8.504 1.00 54.44 N ATOM 1224 CA THR A 90 -8.095 8.666 -7.868 1.00 4.45 C ATOM 1225 C THR A 90 -9.030 7.567 -7.379 1.00 75.31 C ATOM 1226 O THR A 90 -10.187 7.825 -7.046 1.00 31.44 O ATOM 1227 CB THR A 90 -8.865 9.590 -8.830 1.00 2.54 C ATOM 1228 OG1 THR A 90 -9.068 8.931 -10.084 1.00 52.24 O ATOM 1229 CG2 THR A 90 -8.109 10.892 -9.051 1.00 62.24 C ATOM 0 H THR A 90 -7.052 7.803 -9.468 1.00 54.44 H new ATOM 0 HA THR A 90 -7.749 9.250 -7.015 1.00 4.45 H new ATOM 0 HB THR A 90 -9.831 9.821 -8.381 1.00 2.54 H new ATOM 0 HG1 THR A 90 -8.723 8.015 -10.032 1.00 52.24 H new ATOM 0 HG21 THR A 90 -8.672 11.528 -9.734 1.00 62.24 H new ATOM 0 HG22 THR A 90 -7.982 11.405 -8.098 1.00 62.24 H new ATOM 0 HG23 THR A 90 -7.130 10.676 -9.480 1.00 62.24 H new ATOM 1237 N VAL A 91 -8.523 6.339 -7.338 1.00 61.24 N ATOM 1238 CA VAL A 91 -9.313 5.199 -6.889 1.00 14.35 C ATOM 1239 C VAL A 91 -9.244 5.046 -5.373 1.00 51.33 C ATOM 1240 O VAL A 91 -8.362 5.606 -4.721 1.00 72.51 O ATOM 1241 CB VAL A 91 -8.838 3.891 -7.548 1.00 10.01 C ATOM 1242 CG1 VAL A 91 -8.690 4.073 -9.051 1.00 1.53 C ATOM 1243 CG2 VAL A 91 -7.529 3.427 -6.927 1.00 41.22 C ATOM 0 H VAL A 91 -7.568 6.108 -7.611 1.00 61.24 H new ATOM 0 HA VAL A 91 -10.344 5.392 -7.186 1.00 14.35 H new ATOM 0 HB VAL A 91 -9.590 3.122 -7.372 1.00 10.01 H new ATOM 0 HG11 VAL A 91 -8.354 3.138 -9.499 1.00 1.53 H new ATOM 0 HG12 VAL A 91 -9.651 4.356 -9.480 1.00 1.53 H new ATOM 0 HG13 VAL A 91 -7.959 4.856 -9.252 1.00 1.53 H new ATOM 0 HG21 VAL A 91 -7.208 2.501 -7.405 1.00 41.22 H new ATOM 0 HG22 VAL A 91 -6.767 4.193 -7.070 1.00 41.22 H new ATOM 0 HG23 VAL A 91 -7.673 3.254 -5.861 1.00 41.22 H new