USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 833 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: B 49 THR OG1 : rot -101:sc= 1.22 USER MOD Set 1.2: B 51 THR OG1 : rot 56:sc= 0.921 USER MOD Set 2.1: B 44 THR OG1 : rot -8:sc= 1.89 USER MOD Set 2.2: B 53 THR OG1 : rot 91:sc= 0.952 USER MOD Set 3.1: B 1 MET CE :methyl 178:sc= -5.01! (180deg=-3.04!) USER MOD Set 3.2: B 3 TYR OH : rot 180:sc= -2.11 USER MOD Set 4.1: A 49 THR OG1 : rot -97:sc= 1.16 USER MOD Set 4.2: A 51 THR OG1 : rot 56:sc= 0.933 USER MOD Set 5.1: A 44 THR OG1 : rot -7:sc= 1.9 USER MOD Set 5.2: A 53 THR OG1 : rot 89:sc= 0.852 USER MOD Single : A 2 GLN : amide:sc= -0.986 K(o=-0.99,f=-2.4!) USER MOD Single : A 3 TYR OH : rot 180:sc= -0.462 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -5.48! C(o=-5.5!,f=-12!) USER MOD Single : A 10 LYS NZ :NH3+ 138:sc= -0.0665 (180deg=-0.352) USER MOD Single : A 11 THR OG1 : rot -139:sc= -2.92! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 140:sc= -4.75! USER MOD Single : A 17 THR OG1 : rot 30:sc= 0.317 USER MOD Single : A 18 THR OG1 : rot 31:sc= 0.524 USER MOD Single : A 25 THR OG1 : rot -41:sc= -1.07! USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.0504 (180deg=-0.268) USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= -0.0413 (180deg=-0.303) USER MOD Single : A 32 GLN :FLIP amide:sc= -2.56 F(o=-3.8,f=-2.6) USER MOD Single : A 35 ASN : amide:sc= -2.75 K(o=-2.8,f=-3.7!) USER MOD Single : A 37 ASN : amide:sc= -5.63! X(o=-5.6!,f=-5.6) USER MOD Single : A 45 TYR OH : rot 77:sc= -0.046 USER MOD Single : A 50 LYS NZ :NH3+ 158:sc= -2.28 (180deg=-3.74!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ 160:sc= 0.134 (180deg=0.0474) USER MOD Single : B 2 GLN : amide:sc= -0.992 K(o=-0.99,f=-2.4!) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 ASN : amide:sc= -5.48! C(o=-5.5!,f=-11!) USER MOD Single : B 10 LYS NZ :NH3+ 140:sc= -0.0591 (180deg=-0.34) USER MOD Single : B 11 THR OG1 : rot -139:sc= -2.93! USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot 140:sc= -4.71! USER MOD Single : B 17 THR OG1 : rot 32:sc= 0.323 USER MOD Single : B 18 THR OG1 : rot 31:sc= 0.523 USER MOD Single : B 25 THR OG1 : rot -40:sc= -1.23! USER MOD Single : B 28 LYS NZ :NH3+ -165:sc= -0.0258 (180deg=-0.273) USER MOD Single : B 31 LYS NZ :NH3+ -165:sc= -0.0365 (180deg=-0.309) USER MOD Single : B 32 GLN :FLIP amide:sc= -2.54 F(o=-3.8,f=-2.5) USER MOD Single : B 35 ASN : amide:sc= -2.65 K(o=-2.6,f=-3.6!) USER MOD Single : B 37 ASN : amide:sc= -5.41! C(o=-5.4!,f=-5.6!) USER MOD Single : B 45 TYR OH : rot 76:sc= -0.0527 USER MOD Single : B 50 LYS NZ :NH3+ 159:sc= -2.37 (180deg=-3.76!) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 7.261 -15.833 1.182 1.00 0.00 N ATOM 21 CA GLN A 2 7.077 -14.387 1.192 1.00 0.00 C ATOM 22 C GLN A 2 7.058 -13.839 -0.230 1.00 0.00 C ATOM 23 O GLN A 2 7.705 -14.384 -1.125 1.00 0.00 O ATOM 24 CB GLN A 2 8.190 -13.715 1.999 1.00 0.00 C ATOM 25 CG GLN A 2 8.062 -12.199 2.067 1.00 0.00 C ATOM 26 CD GLN A 2 9.173 -11.526 2.865 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.194 -10.301 2.993 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.104 -12.310 3.408 1.00 0.00 N ATOM 0 HA GLN A 2 6.119 -14.167 1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.187 -14.118 3.012 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.153 -13.971 1.557 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.060 -11.797 1.054 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.101 -11.944 2.513 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.056 -13.321 3.282 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.864 -11.899 3.949 1.00 0.00 H new ATOM 37 N TYR A 3 6.314 -12.757 -0.432 1.00 0.00 N ATOM 38 CA TYR A 3 6.212 -12.137 -1.747 1.00 0.00 C ATOM 39 C TYR A 3 6.374 -10.624 -1.641 1.00 0.00 C ATOM 40 O TYR A 3 6.048 -10.028 -0.615 1.00 0.00 O ATOM 41 CB TYR A 3 4.867 -12.474 -2.394 1.00 0.00 C ATOM 42 CG TYR A 3 4.669 -13.949 -2.656 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.621 -14.863 -1.610 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.532 -14.426 -3.951 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.443 -16.213 -1.850 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.354 -15.773 -4.201 1.00 0.00 C ATOM 47 CZ TYR A 3 4.310 -16.662 -3.148 1.00 0.00 C ATOM 48 OH TYR A 3 4.133 -18.005 -3.396 1.00 0.00 O ATOM 0 H TYR A 3 5.774 -12.292 0.297 1.00 0.00 H new ATOM 0 HA TYR A 3 7.013 -12.532 -2.372 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.064 -12.118 -1.748 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.782 -11.932 -3.336 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.724 -14.513 -0.593 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.565 -13.733 -4.778 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.408 -16.911 -1.027 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.250 -16.128 -5.216 1.00 0.00 H new ATOM 0 HH TYR A 3 4.056 -18.152 -4.362 1.00 0.00 H new ATOM 58 N LYS A 4 6.873 -10.007 -2.707 1.00 0.00 N ATOM 59 CA LYS A 4 7.066 -8.563 -2.721 1.00 0.00 C ATOM 60 C LYS A 4 5.944 -7.885 -3.497 1.00 0.00 C ATOM 61 O LYS A 4 5.877 -7.980 -4.720 1.00 0.00 O ATOM 62 CB LYS A 4 8.424 -8.207 -3.334 1.00 0.00 C ATOM 63 CG LYS A 4 8.717 -6.714 -3.331 1.00 0.00 C ATOM 64 CD LYS A 4 10.104 -6.414 -3.874 1.00 0.00 C ATOM 65 CE LYS A 4 10.257 -6.887 -5.310 1.00 0.00 C ATOM 66 NZ LYS A 4 11.610 -6.584 -5.854 1.00 0.00 N ATOM 0 H LYS A 4 7.149 -10.481 -3.567 1.00 0.00 H new ATOM 0 HA LYS A 4 7.046 -8.204 -1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.209 -8.725 -2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.459 -8.574 -4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.970 -6.195 -3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.632 -6.328 -2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.292 -5.342 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.853 -6.900 -3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.078 -7.961 -5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.500 -6.409 -5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.673 -6.923 -6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.771 -5.557 -5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.331 -7.061 -5.276 1.00 0.00 H new ATOM 80 N VAL A 5 5.064 -7.201 -2.779 1.00 0.00 N ATOM 81 CA VAL A 5 3.948 -6.515 -3.405 1.00 0.00 C ATOM 82 C VAL A 5 4.287 -5.054 -3.672 1.00 0.00 C ATOM 83 O VAL A 5 4.439 -4.252 -2.751 1.00 0.00 O ATOM 84 CB VAL A 5 2.676 -6.607 -2.540 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.519 -5.876 -3.202 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.311 -8.062 -2.283 1.00 0.00 C ATOM 0 H VAL A 5 5.103 -7.108 -1.764 1.00 0.00 H new ATOM 0 HA VAL A 5 3.755 -7.012 -4.356 1.00 0.00 H new ATOM 0 HB VAL A 5 2.879 -6.127 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.632 -5.954 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.779 -4.826 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.315 -6.323 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.410 -8.109 -1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.130 -8.565 -3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.131 -8.556 -1.761 1.00 0.00 H new ATOM 96 N ILE A 6 4.402 -4.725 -4.948 1.00 0.00 N ATOM 97 CA ILE A 6 4.716 -3.372 -5.378 1.00 0.00 C ATOM 98 C ILE A 6 3.432 -2.606 -5.692 1.00 0.00 C ATOM 99 O ILE A 6 2.552 -3.107 -6.391 1.00 0.00 O ATOM 100 CB ILE A 6 5.646 -3.393 -6.612 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.997 -4.001 -6.236 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.841 -1.997 -7.186 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.964 -4.093 -7.396 1.00 0.00 C ATOM 0 H ILE A 6 4.281 -5.387 -5.714 1.00 0.00 H new ATOM 0 HA ILE A 6 5.237 -2.865 -4.566 1.00 0.00 H new ATOM 0 HB ILE A 6 5.174 -4.006 -7.380 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.448 -3.402 -5.445 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.836 -4.999 -5.828 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.500 -2.049 -8.052 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.876 -1.590 -7.488 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.286 -1.351 -6.429 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.901 -4.534 -7.055 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.534 -4.716 -8.180 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.155 -3.095 -7.790 1.00 0.00 H new ATOM 115 N LEU A 7 3.330 -1.398 -5.151 1.00 0.00 N ATOM 116 CA LEU A 7 2.152 -0.564 -5.351 1.00 0.00 C ATOM 117 C LEU A 7 2.495 0.648 -6.218 1.00 0.00 C ATOM 118 O LEU A 7 3.125 1.596 -5.748 1.00 0.00 O ATOM 119 CB LEU A 7 1.613 -0.112 -3.992 1.00 0.00 C ATOM 120 CG LEU A 7 1.587 -1.200 -2.922 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.022 -0.653 -1.620 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.783 -2.399 -3.404 1.00 0.00 C ATOM 0 H LEU A 7 4.052 -0.973 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 7 1.387 -1.144 -5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.222 0.717 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.601 0.270 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 7 2.609 -1.530 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.011 -1.442 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.644 0.171 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.006 -0.296 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.774 -3.166 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.239 -2.089 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.238 -2.802 -4.309 1.00 0.00 H new ATOM 134 N ASN A 8 2.101 0.602 -7.491 1.00 0.00 N ATOM 135 CA ASN A 8 2.395 1.694 -8.420 1.00 0.00 C ATOM 136 C ASN A 8 1.157 2.521 -8.751 1.00 0.00 C ATOM 137 O ASN A 8 0.276 2.067 -9.475 1.00 0.00 O ATOM 138 CB ASN A 8 2.981 1.138 -9.719 1.00 0.00 C ATOM 139 CG ASN A 8 4.222 0.306 -9.489 1.00 0.00 C ATOM 140 OD1 ASN A 8 4.175 -0.718 -8.812 1.00 0.00 O ATOM 141 ND2 ASN A 8 5.339 0.742 -10.055 1.00 0.00 N ATOM 0 H ASN A 8 1.581 -0.174 -7.901 1.00 0.00 H new ATOM 0 HA ASN A 8 3.117 2.344 -7.925 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.229 0.530 -10.221 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.221 1.965 -10.388 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.208 0.221 -9.937 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.329 1.598 -10.609 1.00 0.00 H new ATOM 148 N GLY A 9 1.105 3.747 -8.243 1.00 0.00 N ATOM 149 CA GLY A 9 -0.021 4.617 -8.529 1.00 0.00 C ATOM 150 C GLY A 9 0.389 5.820 -9.347 1.00 0.00 C ATOM 151 O GLY A 9 1.519 5.894 -9.829 1.00 0.00 O ATOM 0 H GLY A 9 1.820 4.153 -7.640 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.786 4.056 -9.067 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.469 4.950 -7.593 1.00 0.00 H new ATOM 155 N LYS A 10 -0.524 6.770 -9.500 1.00 0.00 N ATOM 156 CA LYS A 10 -0.234 7.978 -10.257 1.00 0.00 C ATOM 157 C LYS A 10 0.599 8.947 -9.426 1.00 0.00 C ATOM 158 O LYS A 10 1.668 9.386 -9.850 1.00 0.00 O ATOM 159 CB LYS A 10 -1.530 8.652 -10.712 1.00 0.00 C ATOM 160 CG LYS A 10 -2.200 7.960 -11.888 1.00 0.00 C ATOM 161 CD LYS A 10 -2.498 6.501 -11.589 1.00 0.00 C ATOM 162 CE LYS A 10 -3.194 5.830 -12.763 1.00 0.00 C ATOM 163 NZ LYS A 10 -2.388 5.926 -14.010 1.00 0.00 N ATOM 0 H LYS A 10 -1.466 6.727 -9.112 1.00 0.00 H new ATOM 0 HA LYS A 10 0.340 7.696 -11.139 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.227 8.682 -9.874 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.315 9.685 -10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.127 8.477 -12.134 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.556 8.027 -12.764 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.569 5.976 -11.365 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.127 6.430 -10.701 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.376 4.781 -12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.167 6.294 -12.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.420 5.017 -14.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.778 6.674 -14.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.402 6.154 -13.769 1.00 0.00 H new ATOM 177 N THR A 11 0.097 9.283 -8.242 1.00 0.00 N ATOM 178 CA THR A 11 0.779 10.200 -7.346 1.00 0.00 C ATOM 179 C THR A 11 1.433 9.459 -6.187 1.00 0.00 C ATOM 180 O THR A 11 1.973 10.079 -5.271 1.00 0.00 O ATOM 181 CB THR A 11 -0.225 11.209 -6.800 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.422 10.558 -6.420 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.588 12.299 -7.784 1.00 0.00 C ATOM 0 H THR A 11 -0.789 8.928 -7.882 1.00 0.00 H new ATOM 0 HA THR A 11 1.561 10.710 -7.908 1.00 0.00 H new ATOM 0 HB THR A 11 0.269 11.672 -5.946 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.191 11.102 -6.692 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.306 12.979 -7.325 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.309 12.852 -8.062 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.029 11.853 -8.675 1.00 0.00 H new ATOM 191 N LEU A 12 1.369 8.133 -6.217 1.00 0.00 N ATOM 192 CA LEU A 12 1.946 7.332 -5.153 1.00 0.00 C ATOM 193 C LEU A 12 2.668 6.107 -5.700 1.00 0.00 C ATOM 194 O LEU A 12 2.187 5.441 -6.616 1.00 0.00 O ATOM 195 CB LEU A 12 0.852 6.915 -4.168 1.00 0.00 C ATOM 196 CG LEU A 12 1.328 6.083 -2.985 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.510 6.763 -2.324 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.198 5.879 -1.986 1.00 0.00 C ATOM 0 H LEU A 12 0.926 7.596 -6.962 1.00 0.00 H new ATOM 0 HA LEU A 12 2.686 7.940 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.366 7.813 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.095 6.348 -4.709 1.00 0.00 H new ATOM 0 HG LEU A 12 1.641 5.103 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.848 6.164 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.322 6.863 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.212 7.751 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.557 5.282 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.145 6.847 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.629 5.361 -2.472 1.00 0.00 H new ATOM 210 N LYS A 13 3.827 5.818 -5.118 1.00 0.00 N ATOM 211 CA LYS A 13 4.632 4.670 -5.522 1.00 0.00 C ATOM 212 C LYS A 13 5.328 4.066 -4.307 1.00 0.00 C ATOM 213 O LYS A 13 5.721 4.788 -3.393 1.00 0.00 O ATOM 214 CB LYS A 13 5.675 5.079 -6.567 1.00 0.00 C ATOM 215 CG LYS A 13 5.102 5.873 -7.732 1.00 0.00 C ATOM 216 CD LYS A 13 5.018 7.362 -7.421 1.00 0.00 C ATOM 217 CE LYS A 13 6.397 7.976 -7.232 1.00 0.00 C ATOM 218 NZ LYS A 13 6.321 9.441 -6.970 1.00 0.00 N ATOM 0 H LYS A 13 4.232 6.367 -4.360 1.00 0.00 H new ATOM 0 HA LYS A 13 3.970 3.926 -5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.449 5.673 -6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.158 4.182 -6.954 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.723 5.721 -8.615 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.108 5.496 -7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.500 7.874 -8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.426 7.512 -6.518 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.903 7.484 -6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.999 7.797 -8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.281 9.822 -6.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.861 9.914 -7.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.768 9.611 -6.106 1.00 0.00 H new ATOM 232 N GLY A 14 5.488 2.745 -4.294 1.00 0.00 N ATOM 233 CA GLY A 14 6.145 2.105 -3.169 1.00 0.00 C ATOM 234 C GLY A 14 6.299 0.606 -3.333 1.00 0.00 C ATOM 235 O GLY A 14 6.043 0.054 -4.403 1.00 0.00 O ATOM 0 H GLY A 14 5.178 2.114 -5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.130 2.551 -3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.575 2.307 -2.262 1.00 0.00 H new ATOM 239 N GLU A 15 6.719 -0.051 -2.254 1.00 0.00 N ATOM 240 CA GLU A 15 6.914 -1.495 -2.251 1.00 0.00 C ATOM 241 C GLU A 15 6.552 -2.081 -0.887 1.00 0.00 C ATOM 242 O GLU A 15 6.838 -1.484 0.151 1.00 0.00 O ATOM 243 CB GLU A 15 8.365 -1.838 -2.598 1.00 0.00 C ATOM 244 CG GLU A 15 8.811 -1.302 -3.951 1.00 0.00 C ATOM 245 CD GLU A 15 10.249 -1.660 -4.272 1.00 0.00 C ATOM 246 OE1 GLU A 15 11.147 -1.260 -3.501 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.478 -2.339 -5.295 1.00 0.00 O ATOM 0 H GLU A 15 6.932 0.401 -1.364 1.00 0.00 H new ATOM 0 HA GLU A 15 6.258 -1.931 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.019 -1.437 -1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.486 -2.921 -2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.159 -1.700 -4.729 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.698 -0.218 -3.964 1.00 0.00 H new ATOM 254 N THR A 16 5.916 -3.248 -0.899 1.00 0.00 N ATOM 255 CA THR A 16 5.504 -3.914 0.332 1.00 0.00 C ATOM 256 C THR A 16 5.696 -5.428 0.222 1.00 0.00 C ATOM 257 O THR A 16 5.980 -5.940 -0.856 1.00 0.00 O ATOM 258 CB THR A 16 4.049 -3.561 0.663 1.00 0.00 C ATOM 259 OG1 THR A 16 3.493 -4.513 1.533 1.00 0.00 O ATOM 260 CG2 THR A 16 3.150 -3.462 -0.550 1.00 0.00 C ATOM 0 H THR A 16 5.674 -3.754 -1.751 1.00 0.00 H new ATOM 0 HA THR A 16 6.135 -3.561 1.148 1.00 0.00 H new ATOM 0 HB THR A 16 4.097 -2.576 1.128 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.936 -4.060 2.201 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.138 -3.209 -0.233 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.525 -2.687 -1.219 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.138 -4.418 -1.073 1.00 0.00 H new ATOM 268 N THR A 17 5.568 -6.139 1.344 1.00 0.00 N ATOM 269 CA THR A 17 5.761 -7.590 1.343 1.00 0.00 C ATOM 270 C THR A 17 4.801 -8.317 2.288 1.00 0.00 C ATOM 271 O THR A 17 4.804 -8.086 3.497 1.00 0.00 O ATOM 272 CB THR A 17 7.201 -7.923 1.728 1.00 0.00 C ATOM 273 OG1 THR A 17 7.534 -7.339 2.974 1.00 0.00 O ATOM 274 CG2 THR A 17 8.222 -7.456 0.714 1.00 0.00 C ATOM 0 H THR A 17 5.335 -5.740 2.253 1.00 0.00 H new ATOM 0 HA THR A 17 5.547 -7.937 0.332 1.00 0.00 H new ATOM 0 HB THR A 17 7.239 -9.011 1.777 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.731 -7.279 3.532 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.222 -7.727 1.053 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.024 -7.931 -0.247 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.157 -6.374 0.604 1.00 0.00 H new ATOM 282 N THR A 18 3.991 -9.211 1.719 1.00 0.00 N ATOM 283 CA THR A 18 3.031 -10.001 2.489 1.00 0.00 C ATOM 284 C THR A 18 3.507 -11.450 2.591 1.00 0.00 C ATOM 285 O THR A 18 4.063 -11.994 1.636 1.00 0.00 O ATOM 286 CB THR A 18 1.651 -9.955 1.828 1.00 0.00 C ATOM 287 OG1 THR A 18 0.684 -10.570 2.658 1.00 0.00 O ATOM 288 CG2 THR A 18 1.603 -10.646 0.481 1.00 0.00 C ATOM 0 H THR A 18 3.982 -9.407 0.718 1.00 0.00 H new ATOM 0 HA THR A 18 2.956 -9.577 3.490 1.00 0.00 H new ATOM 0 HB THR A 18 1.437 -8.897 1.680 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.935 -10.450 3.598 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.596 -10.574 0.071 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.307 -10.166 -0.199 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.872 -11.695 0.601 1.00 0.00 H new ATOM 296 N GLU A 19 3.282 -12.068 3.742 1.00 0.00 N ATOM 297 CA GLU A 19 3.683 -13.456 3.959 1.00 0.00 C ATOM 298 C GLU A 19 2.491 -14.384 3.744 1.00 0.00 C ATOM 299 O GLU A 19 1.551 -14.380 4.539 1.00 0.00 O ATOM 300 CB GLU A 19 4.222 -13.628 5.383 1.00 0.00 C ATOM 301 CG GLU A 19 4.826 -14.996 5.650 1.00 0.00 C ATOM 302 CD GLU A 19 6.155 -15.191 4.947 1.00 0.00 C ATOM 303 OE1 GLU A 19 6.199 -15.040 3.711 1.00 0.00 O ATOM 304 OE2 GLU A 19 7.152 -15.496 5.636 1.00 0.00 O ATOM 0 H GLU A 19 2.824 -11.632 4.542 1.00 0.00 H new ATOM 0 HA GLU A 19 4.467 -13.712 3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.978 -12.865 5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.412 -13.455 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.964 -15.125 6.723 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.129 -15.768 5.323 1.00 0.00 H new ATOM 311 N ALA A 20 2.511 -15.172 2.668 1.00 0.00 N ATOM 312 CA ALA A 20 1.406 -16.081 2.380 1.00 0.00 C ATOM 313 C ALA A 20 1.888 -17.379 1.728 1.00 0.00 C ATOM 314 O ALA A 20 2.883 -17.396 1.003 1.00 0.00 O ATOM 315 CB ALA A 20 0.384 -15.394 1.486 1.00 0.00 C ATOM 0 H ALA A 20 3.272 -15.198 1.990 1.00 0.00 H new ATOM 0 HA ALA A 20 0.940 -16.344 3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.436 -16.081 1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.003 -14.508 1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.859 -15.100 0.550 1.00 0.00 H new ATOM 321 N VAL A 21 1.176 -18.462 2.021 1.00 0.00 N ATOM 322 CA VAL A 21 1.517 -19.788 1.503 1.00 0.00 C ATOM 323 C VAL A 21 1.714 -19.777 -0.014 1.00 0.00 C ATOM 324 O VAL A 21 2.472 -20.585 -0.552 1.00 0.00 O ATOM 325 CB VAL A 21 0.422 -20.814 1.851 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.842 -22.214 1.433 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.101 -20.763 3.336 1.00 0.00 C ATOM 0 H VAL A 21 0.351 -18.449 2.620 1.00 0.00 H new ATOM 0 HA VAL A 21 2.456 -20.073 1.978 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.481 -20.557 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.054 -22.922 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.015 -22.236 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.759 -22.489 1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.674 -21.494 3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.998 -20.993 3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.251 -19.765 3.598 1.00 0.00 H new ATOM 337 N ASP A 22 1.042 -18.860 -0.697 1.00 0.00 N ATOM 338 CA ASP A 22 1.170 -18.760 -2.152 1.00 0.00 C ATOM 339 C ASP A 22 0.774 -17.377 -2.656 1.00 0.00 C ATOM 340 O ASP A 22 0.373 -16.511 -1.879 1.00 0.00 O ATOM 341 CB ASP A 22 0.334 -19.841 -2.846 1.00 0.00 C ATOM 342 CG ASP A 22 -1.153 -19.684 -2.604 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.545 -18.712 -1.932 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.927 -20.533 -3.095 1.00 0.00 O ATOM 0 H ASP A 22 0.409 -18.180 -0.277 1.00 0.00 H new ATOM 0 HA ASP A 22 2.220 -18.917 -2.399 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.527 -19.810 -3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.653 -20.822 -2.493 1.00 0.00 H new ATOM 349 N ALA A 23 0.901 -17.175 -3.965 1.00 0.00 N ATOM 350 CA ALA A 23 0.571 -15.894 -4.579 1.00 0.00 C ATOM 351 C ALA A 23 -0.882 -15.514 -4.331 1.00 0.00 C ATOM 352 O ALA A 23 -1.183 -14.364 -4.018 1.00 0.00 O ATOM 353 CB ALA A 23 0.864 -15.932 -6.071 1.00 0.00 C ATOM 0 H ALA A 23 1.231 -17.883 -4.621 1.00 0.00 H new ATOM 0 HA ALA A 23 1.196 -15.131 -4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.613 -14.969 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.922 -16.140 -6.229 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.267 -16.715 -6.539 1.00 0.00 H new ATOM 359 N ALA A 24 -1.777 -16.483 -4.464 1.00 0.00 N ATOM 360 CA ALA A 24 -3.194 -16.231 -4.239 1.00 0.00 C ATOM 361 C ALA A 24 -3.424 -15.783 -2.805 1.00 0.00 C ATOM 362 O ALA A 24 -3.966 -14.704 -2.564 1.00 0.00 O ATOM 363 CB ALA A 24 -4.017 -17.472 -4.556 1.00 0.00 C ATOM 0 H ALA A 24 -1.550 -17.443 -4.724 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.517 -15.433 -4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.072 -17.263 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.870 -17.749 -5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.699 -18.293 -3.914 1.00 0.00 H new ATOM 369 N THR A 25 -2.977 -16.598 -1.853 1.00 0.00 N ATOM 370 CA THR A 25 -3.107 -16.260 -0.446 1.00 0.00 C ATOM 371 C THR A 25 -2.556 -14.861 -0.219 1.00 0.00 C ATOM 372 O THR A 25 -3.188 -14.029 0.431 1.00 0.00 O ATOM 373 CB THR A 25 -2.354 -17.274 0.413 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.001 -17.368 0.012 1.00 0.00 O ATOM 375 CG2 THR A 25 -2.953 -18.663 0.366 1.00 0.00 C ATOM 0 H THR A 25 -2.523 -17.494 -2.034 1.00 0.00 H new ATOM 0 HA THR A 25 -4.159 -16.286 -0.160 1.00 0.00 H new ATOM 0 HB THR A 25 -2.433 -16.901 1.434 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.948 -17.350 -0.966 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.369 -19.332 0.998 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.981 -18.628 0.726 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.940 -19.030 -0.660 1.00 0.00 H new ATOM 383 N ALA A 26 -1.386 -14.598 -0.799 1.00 0.00 N ATOM 384 CA ALA A 26 -0.772 -13.286 -0.695 1.00 0.00 C ATOM 385 C ALA A 26 -1.720 -12.250 -1.276 1.00 0.00 C ATOM 386 O ALA A 26 -2.073 -11.274 -0.614 1.00 0.00 O ATOM 387 CB ALA A 26 0.566 -13.260 -1.422 1.00 0.00 C ATOM 0 H ALA A 26 -0.851 -15.276 -1.342 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.583 -13.056 0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.010 -12.268 -1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.235 -13.998 -0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.412 -13.495 -2.475 1.00 0.00 H new ATOM 393 N GLU A 27 -2.148 -12.482 -2.517 1.00 0.00 N ATOM 394 CA GLU A 27 -3.078 -11.588 -3.194 1.00 0.00 C ATOM 395 C GLU A 27 -4.260 -11.268 -2.287 1.00 0.00 C ATOM 396 O GLU A 27 -4.639 -10.109 -2.121 1.00 0.00 O ATOM 397 CB GLU A 27 -3.579 -12.237 -4.485 1.00 0.00 C ATOM 398 CG GLU A 27 -4.522 -11.356 -5.288 1.00 0.00 C ATOM 399 CD GLU A 27 -3.852 -10.098 -5.805 1.00 0.00 C ATOM 400 OE1 GLU A 27 -2.642 -9.919 -5.545 1.00 0.00 O ATOM 401 OE2 GLU A 27 -4.536 -9.293 -6.471 1.00 0.00 O ATOM 0 H GLU A 27 -1.861 -13.287 -3.074 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.558 -10.661 -3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.722 -12.497 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.088 -13.169 -4.239 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.915 -11.925 -6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.373 -11.080 -4.665 1.00 0.00 H new ATOM 408 N LYS A 28 -4.831 -12.313 -1.694 1.00 0.00 N ATOM 409 CA LYS A 28 -5.963 -12.156 -0.792 1.00 0.00 C ATOM 410 C LYS A 28 -5.538 -11.390 0.452 1.00 0.00 C ATOM 411 O LYS A 28 -6.191 -10.428 0.854 1.00 0.00 O ATOM 412 CB LYS A 28 -6.529 -13.523 -0.403 1.00 0.00 C ATOM 413 CG LYS A 28 -6.995 -14.341 -1.595 1.00 0.00 C ATOM 414 CD LYS A 28 -7.980 -13.560 -2.448 1.00 0.00 C ATOM 415 CE LYS A 28 -8.438 -14.367 -3.652 1.00 0.00 C ATOM 416 NZ LYS A 28 -7.298 -14.748 -4.533 1.00 0.00 N ATOM 0 H LYS A 28 -4.526 -13.278 -1.824 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.742 -11.591 -1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.767 -14.084 0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.366 -13.381 0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.135 -14.629 -2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.462 -15.262 -1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.844 -13.282 -1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.516 -12.633 -2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.950 -15.267 -3.312 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.161 -13.786 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.662 -15.067 -5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.677 -13.926 -4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.758 -15.518 -4.089 1.00 0.00 H new ATOM 430 N VAL A 29 -4.430 -11.817 1.050 1.00 0.00 N ATOM 431 CA VAL A 29 -3.909 -11.162 2.239 1.00 0.00 C ATOM 432 C VAL A 29 -3.704 -9.677 1.979 1.00 0.00 C ATOM 433 O VAL A 29 -4.041 -8.837 2.814 1.00 0.00 O ATOM 434 CB VAL A 29 -2.577 -11.797 2.692 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.015 -11.064 3.900 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.768 -13.273 3.004 1.00 0.00 C ATOM 0 H VAL A 29 -3.878 -12.613 0.729 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.642 -11.293 3.035 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.861 -11.708 1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.076 -11.528 4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.837 -10.020 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.728 -11.118 4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.818 -13.704 3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.502 -13.384 3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.121 -13.791 2.112 1.00 0.00 H new ATOM 446 N VAL A 30 -3.170 -9.361 0.807 1.00 0.00 N ATOM 447 CA VAL A 30 -2.949 -7.976 0.432 1.00 0.00 C ATOM 448 C VAL A 30 -4.293 -7.272 0.292 1.00 0.00 C ATOM 449 O VAL A 30 -4.499 -6.190 0.837 1.00 0.00 O ATOM 450 CB VAL A 30 -2.165 -7.855 -0.886 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.821 -6.400 -1.165 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.908 -8.709 -0.843 1.00 0.00 C ATOM 0 H VAL A 30 -2.884 -10.043 0.104 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.354 -7.507 1.215 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.794 -8.221 -1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.266 -6.330 -2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.739 -5.818 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.211 -6.008 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.368 -8.609 -1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.271 -8.378 -0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.182 -9.753 -0.691 1.00 0.00 H new ATOM 462 N LYS A 31 -5.221 -7.906 -0.426 1.00 0.00 N ATOM 463 CA LYS A 31 -6.554 -7.341 -0.608 1.00 0.00 C ATOM 464 C LYS A 31 -7.136 -6.927 0.736 1.00 0.00 C ATOM 465 O LYS A 31 -7.722 -5.854 0.867 1.00 0.00 O ATOM 466 CB LYS A 31 -7.480 -8.337 -1.304 1.00 0.00 C ATOM 467 CG LYS A 31 -7.237 -8.429 -2.800 1.00 0.00 C ATOM 468 CD LYS A 31 -8.125 -9.474 -3.454 1.00 0.00 C ATOM 469 CE LYS A 31 -7.926 -9.498 -4.959 1.00 0.00 C ATOM 470 NZ LYS A 31 -8.343 -8.217 -5.595 1.00 0.00 N ATOM 0 H LYS A 31 -5.074 -8.804 -0.887 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.468 -6.459 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.345 -9.323 -0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.516 -8.046 -1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.421 -7.457 -3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.191 -8.675 -2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.901 -10.457 -3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.170 -9.262 -3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.877 -9.690 -5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.499 -10.320 -5.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.435 -8.353 -6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.258 -7.916 -5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.628 -7.486 -5.405 1.00 0.00 H new ATOM 484 N GLN A 32 -6.937 -7.774 1.740 1.00 0.00 N ATOM 485 CA GLN A 32 -7.415 -7.474 3.082 1.00 0.00 C ATOM 486 C GLN A 32 -6.693 -6.235 3.597 1.00 0.00 C ATOM 487 O GLN A 32 -7.275 -5.391 4.278 1.00 0.00 O ATOM 488 CB GLN A 32 -7.170 -8.659 4.021 1.00 0.00 C ATOM 489 CG GLN A 32 -7.705 -8.448 5.430 1.00 0.00 C ATOM 490 CD GLN A 32 -9.223 -8.322 5.498 1.00 0.00 C ATOM 491 OE1 GLN A 32 -9.917 -8.582 4.389 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -9.774 -8.009 6.554 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.452 -8.667 1.650 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.489 -7.288 3.049 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.634 -9.549 3.596 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.099 -8.853 4.075 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.390 -9.282 6.057 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.256 -7.547 5.848 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.214 -7.817 7.384 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.791 -7.942 6.598 1.00 0.00 H new ATOM 501 N PHE A 33 -5.414 -6.138 3.245 1.00 0.00 N ATOM 502 CA PHE A 33 -4.577 -5.010 3.638 1.00 0.00 C ATOM 503 C PHE A 33 -5.225 -3.695 3.202 1.00 0.00 C ATOM 504 O PHE A 33 -5.526 -2.833 4.025 1.00 0.00 O ATOM 505 CB PHE A 33 -3.191 -5.164 2.996 1.00 0.00 C ATOM 506 CG PHE A 33 -2.145 -4.243 3.551 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.673 -4.418 4.841 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.626 -3.207 2.782 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.708 -3.576 5.358 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.660 -2.365 3.299 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.202 -2.552 4.590 1.00 0.00 C ATOM 0 H PHE A 33 -4.930 -6.837 2.681 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.471 -4.995 4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.857 -6.193 3.125 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.279 -4.990 1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.063 -5.221 5.449 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.981 -3.059 1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.350 -3.721 6.366 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.263 -1.562 2.695 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.553 -1.895 4.996 1.00 0.00 H new ATOM 521 N PHE A 34 -5.446 -3.567 1.897 1.00 0.00 N ATOM 522 CA PHE A 34 -6.066 -2.373 1.328 1.00 0.00 C ATOM 523 C PHE A 34 -7.537 -2.300 1.692 1.00 0.00 C ATOM 524 O PHE A 34 -8.051 -1.234 2.031 1.00 0.00 O ATOM 525 CB PHE A 34 -5.878 -2.359 -0.183 1.00 0.00 C ATOM 526 CG PHE A 34 -4.432 -2.389 -0.554 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.539 -1.532 0.070 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.958 -3.281 -1.494 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.200 -1.569 -0.238 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.618 -3.319 -1.813 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.738 -2.459 -1.180 1.00 0.00 C ATOM 0 H PHE A 34 -5.203 -4.280 1.209 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.578 -1.493 1.748 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.385 -3.218 -0.622 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.344 -1.466 -0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.899 -0.828 0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.644 -3.956 -1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.512 -0.901 0.258 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.256 -4.017 -2.554 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.687 -2.486 -1.426 1.00 0.00 H new ATOM 541 N ASN A 35 -8.204 -3.441 1.647 1.00 0.00 N ATOM 542 CA ASN A 35 -9.614 -3.513 2.001 1.00 0.00 C ATOM 543 C ASN A 35 -9.844 -2.822 3.341 1.00 0.00 C ATOM 544 O ASN A 35 -10.847 -2.141 3.549 1.00 0.00 O ATOM 545 CB ASN A 35 -10.041 -4.975 2.097 1.00 0.00 C ATOM 546 CG ASN A 35 -11.506 -5.133 2.430 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.000 -4.583 3.415 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.204 -5.906 1.615 1.00 0.00 N ATOM 0 H ASN A 35 -7.792 -4.332 1.369 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.205 -3.013 1.234 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.832 -5.473 1.150 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.443 -5.475 2.859 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.196 -6.068 1.790 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.751 -6.340 0.811 1.00 0.00 H new ATOM 555 N ASP A 36 -8.886 -3.018 4.238 1.00 0.00 N ATOM 556 CA ASP A 36 -8.941 -2.434 5.574 1.00 0.00 C ATOM 557 C ASP A 36 -8.192 -1.101 5.662 1.00 0.00 C ATOM 558 O ASP A 36 -8.485 -0.288 6.539 1.00 0.00 O ATOM 559 CB ASP A 36 -8.383 -3.416 6.608 1.00 0.00 C ATOM 560 CG ASP A 36 -9.156 -4.720 6.642 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.372 -4.683 6.923 1.00 0.00 O ATOM 562 OD2 ASP A 36 -8.545 -5.779 6.387 1.00 0.00 O ATOM 0 H ASP A 36 -8.054 -3.582 4.063 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.990 -2.232 5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.337 -3.623 6.382 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.410 -2.955 7.595 1.00 0.00 H new ATOM 567 N ASN A 37 -7.239 -0.861 4.758 1.00 0.00 N ATOM 568 CA ASN A 37 -6.498 0.402 4.781 1.00 0.00 C ATOM 569 C ASN A 37 -7.307 1.493 4.097 1.00 0.00 C ATOM 570 O ASN A 37 -7.439 2.599 4.616 1.00 0.00 O ATOM 571 CB ASN A 37 -5.138 0.278 4.083 1.00 0.00 C ATOM 572 CG ASN A 37 -4.177 -0.645 4.806 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.082 -0.621 6.032 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.428 -1.440 4.046 1.00 0.00 N ATOM 0 H ASN A 37 -6.967 -1.508 4.018 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.326 0.658 5.826 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.290 -0.089 3.068 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.688 1.267 4.000 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.743 -2.061 4.477 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.539 -1.429 3.032 1.00 0.00 H new ATOM 581 N GLY A 38 -7.837 1.148 2.924 1.00 0.00 N ATOM 582 CA GLY A 38 -8.640 2.057 2.118 1.00 0.00 C ATOM 583 C GLY A 38 -9.022 3.368 2.784 1.00 0.00 C ATOM 584 O GLY A 38 -8.169 4.216 3.049 1.00 0.00 O ATOM 0 H GLY A 38 -7.719 0.225 2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.092 2.282 1.203 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.554 1.541 1.823 1.00 0.00 H new ATOM 588 N VAL A 39 -10.319 3.557 2.982 1.00 0.00 N ATOM 589 CA VAL A 39 -10.840 4.802 3.540 1.00 0.00 C ATOM 590 C VAL A 39 -11.405 4.655 4.950 1.00 0.00 C ATOM 591 O VAL A 39 -11.956 5.613 5.494 1.00 0.00 O ATOM 592 CB VAL A 39 -11.959 5.342 2.643 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.428 6.713 3.111 1.00 0.00 C ATOM 594 CG2 VAL A 39 -11.511 5.387 1.191 1.00 0.00 C ATOM 0 H VAL A 39 -11.034 2.863 2.764 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.991 5.483 3.590 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.806 4.660 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.222 7.069 2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.806 6.640 4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.593 7.413 3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.321 5.773 0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.641 6.038 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.249 4.382 0.860 1.00 0.00 H new ATOM 604 N ASP A 40 -11.282 3.486 5.555 1.00 0.00 N ATOM 605 CA ASP A 40 -11.802 3.288 6.907 1.00 0.00 C ATOM 606 C ASP A 40 -10.721 2.772 7.860 1.00 0.00 C ATOM 607 O ASP A 40 -11.024 2.342 8.973 1.00 0.00 O ATOM 608 CB ASP A 40 -12.978 2.309 6.881 1.00 0.00 C ATOM 609 CG ASP A 40 -14.130 2.813 6.031 1.00 0.00 C ATOM 610 OD1 ASP A 40 -14.669 3.894 6.344 1.00 0.00 O ATOM 611 OD2 ASP A 40 -14.489 2.124 5.052 1.00 0.00 O ATOM 0 H ASP A 40 -10.834 2.667 5.143 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.140 4.257 7.275 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.639 1.348 6.495 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.328 2.139 7.899 1.00 0.00 H new ATOM 616 N GLY A 41 -9.465 2.810 7.422 1.00 0.00 N ATOM 617 CA GLY A 41 -8.376 2.332 8.258 1.00 0.00 C ATOM 618 C GLY A 41 -7.882 3.374 9.247 1.00 0.00 C ATOM 619 O GLY A 41 -8.336 4.518 9.237 1.00 0.00 O ATOM 0 H GLY A 41 -9.182 3.162 6.507 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.706 1.449 8.805 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.547 2.022 7.622 1.00 0.00 H new ATOM 623 N GLU A 42 -6.942 2.971 10.100 1.00 0.00 N ATOM 624 CA GLU A 42 -6.372 3.870 11.102 1.00 0.00 C ATOM 625 C GLU A 42 -5.036 4.428 10.622 1.00 0.00 C ATOM 626 O GLU A 42 -4.012 3.744 10.674 1.00 0.00 O ATOM 627 CB GLU A 42 -6.183 3.134 12.429 1.00 0.00 C ATOM 628 CG GLU A 42 -7.473 2.573 13.002 1.00 0.00 C ATOM 629 CD GLU A 42 -7.259 1.842 14.311 1.00 0.00 C ATOM 630 OE1 GLU A 42 -6.498 0.851 14.320 1.00 0.00 O ATOM 631 OE2 GLU A 42 -7.852 2.258 15.329 1.00 0.00 O ATOM 0 H GLU A 42 -6.558 2.026 10.117 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.064 4.699 11.252 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.474 2.318 12.285 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.740 3.817 13.154 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.182 3.387 13.156 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.922 1.892 12.279 1.00 0.00 H new ATOM 638 N TRP A 43 -5.057 5.664 10.132 1.00 0.00 N ATOM 639 CA TRP A 43 -3.853 6.306 9.616 1.00 0.00 C ATOM 640 C TRP A 43 -3.112 7.103 10.685 1.00 0.00 C ATOM 641 O TRP A 43 -3.594 8.139 11.147 1.00 0.00 O ATOM 642 CB TRP A 43 -4.212 7.241 8.465 1.00 0.00 C ATOM 643 CG TRP A 43 -4.855 6.551 7.305 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.965 5.756 7.328 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.425 6.603 5.945 1.00 0.00 C ATOM 646 NE1 TRP A 43 -6.249 5.312 6.060 1.00 0.00 N ATOM 647 CE2 TRP A 43 -5.317 5.819 5.192 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.368 7.240 5.294 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -5.182 5.659 3.816 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.236 7.079 3.930 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.139 6.295 3.202 1.00 0.00 C ATOM 0 H TRP A 43 -5.896 6.242 10.082 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.194 5.509 9.272 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.885 8.015 8.834 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.308 7.743 8.121 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.535 5.513 8.212 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.027 4.704 5.805 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.667 7.847 5.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.877 5.054 3.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.422 7.566 3.415 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.009 6.191 2.135 1.00 0.00 H new ATOM 662 N THR A 44 -1.927 6.630 11.051 1.00 0.00 N ATOM 663 CA THR A 44 -1.099 7.313 12.040 1.00 0.00 C ATOM 664 C THR A 44 0.051 8.034 11.337 1.00 0.00 C ATOM 665 O THR A 44 0.706 7.464 10.464 1.00 0.00 O ATOM 666 CB THR A 44 -0.556 6.315 13.065 1.00 0.00 C ATOM 667 OG1 THR A 44 0.174 5.284 12.425 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.639 5.659 13.894 1.00 0.00 C ATOM 0 H THR A 44 -1.516 5.774 10.677 1.00 0.00 H new ATOM 0 HA THR A 44 -1.709 8.046 12.568 1.00 0.00 H new ATOM 0 HB THR A 44 0.083 6.901 13.726 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.083 5.374 11.453 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.186 4.963 14.600 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.191 6.423 14.441 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.321 5.117 13.239 1.00 0.00 H new ATOM 676 N TYR A 45 0.283 9.290 11.701 1.00 0.00 N ATOM 677 CA TYR A 45 1.343 10.078 11.077 1.00 0.00 C ATOM 678 C TYR A 45 2.475 10.370 12.061 1.00 0.00 C ATOM 679 O TYR A 45 2.241 10.567 13.253 1.00 0.00 O ATOM 680 CB TYR A 45 0.768 11.389 10.534 1.00 0.00 C ATOM 681 CG TYR A 45 1.750 12.205 9.724 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.655 11.593 8.864 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.768 13.591 9.816 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.549 12.339 8.121 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.660 14.345 9.075 1.00 0.00 C ATOM 686 CZ TYR A 45 3.548 13.714 8.229 1.00 0.00 C ATOM 687 OH TYR A 45 4.437 14.460 7.490 1.00 0.00 O ATOM 0 H TYR A 45 -0.245 9.784 12.421 1.00 0.00 H new ATOM 0 HA TYR A 45 1.757 9.495 10.254 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.099 11.163 9.914 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.414 11.992 11.370 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.659 10.517 8.775 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.074 14.088 10.477 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.246 11.848 7.458 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.661 15.422 9.158 1.00 0.00 H new ATOM 0 HH TYR A 45 4.128 14.511 6.561 1.00 0.00 H new ATOM 697 N ASP A 46 3.702 10.398 11.549 1.00 0.00 N ATOM 698 CA ASP A 46 4.875 10.668 12.373 1.00 0.00 C ATOM 699 C ASP A 46 5.655 11.867 11.837 1.00 0.00 C ATOM 700 O ASP A 46 6.610 11.707 11.077 1.00 0.00 O ATOM 701 CB ASP A 46 5.783 9.436 12.424 1.00 0.00 C ATOM 702 CG ASP A 46 7.001 9.646 13.302 1.00 0.00 C ATOM 703 OD1 ASP A 46 6.823 9.910 14.510 1.00 0.00 O ATOM 704 OD2 ASP A 46 8.133 9.546 12.784 1.00 0.00 O ATOM 0 H ASP A 46 3.910 10.236 10.564 1.00 0.00 H new ATOM 0 HA ASP A 46 4.533 10.902 13.381 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.213 8.585 12.797 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.107 9.186 11.414 1.00 0.00 H new ATOM 709 N ASP A 47 5.237 13.067 12.234 1.00 0.00 N ATOM 710 CA ASP A 47 5.891 14.298 11.789 1.00 0.00 C ATOM 711 C ASP A 47 7.409 14.213 11.952 1.00 0.00 C ATOM 712 O ASP A 47 8.160 14.742 11.133 1.00 0.00 O ATOM 713 CB ASP A 47 5.355 15.495 12.579 1.00 0.00 C ATOM 714 CG ASP A 47 3.856 15.668 12.429 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.232 14.857 11.714 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.307 16.614 13.030 1.00 0.00 O ATOM 0 H ASP A 47 4.448 13.214 12.863 1.00 0.00 H new ATOM 0 HA ASP A 47 5.667 14.429 10.730 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.599 15.368 13.634 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.857 16.402 12.243 1.00 0.00 H new ATOM 721 N ALA A 48 7.849 13.565 13.025 1.00 0.00 N ATOM 722 CA ALA A 48 9.275 13.430 13.314 1.00 0.00 C ATOM 723 C ALA A 48 10.059 12.930 12.104 1.00 0.00 C ATOM 724 O ALA A 48 11.217 13.301 11.912 1.00 0.00 O ATOM 725 CB ALA A 48 9.483 12.495 14.496 1.00 0.00 C ATOM 0 H ALA A 48 7.238 13.123 13.712 1.00 0.00 H new ATOM 0 HA ALA A 48 9.654 14.421 13.563 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.549 12.402 14.703 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.977 12.899 15.373 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.072 11.513 14.260 1.00 0.00 H new ATOM 731 N THR A 49 9.431 12.086 11.295 1.00 0.00 N ATOM 732 CA THR A 49 10.089 11.539 10.111 1.00 0.00 C ATOM 733 C THR A 49 9.250 11.751 8.853 1.00 0.00 C ATOM 734 O THR A 49 9.496 11.121 7.824 1.00 0.00 O ATOM 735 CB THR A 49 10.369 10.049 10.307 1.00 0.00 C ATOM 736 OG1 THR A 49 9.166 9.337 10.527 1.00 0.00 O ATOM 737 CG2 THR A 49 11.293 9.762 11.472 1.00 0.00 C ATOM 0 H THR A 49 8.473 11.766 11.434 1.00 0.00 H new ATOM 0 HA THR A 49 11.031 12.071 9.979 1.00 0.00 H new ATOM 0 HB THR A 49 10.857 9.724 9.388 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.032 9.210 11.490 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.450 8.687 11.555 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.250 10.257 11.308 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.845 10.136 12.393 1.00 0.00 H new ATOM 745 N LYS A 50 8.257 12.636 8.939 1.00 0.00 N ATOM 746 CA LYS A 50 7.385 12.921 7.800 1.00 0.00 C ATOM 747 C LYS A 50 6.920 11.626 7.140 1.00 0.00 C ATOM 748 O LYS A 50 6.792 11.543 5.914 1.00 0.00 O ATOM 749 CB LYS A 50 8.114 13.797 6.785 1.00 0.00 C ATOM 750 CG LYS A 50 8.534 15.138 7.357 1.00 0.00 C ATOM 751 CD LYS A 50 8.271 16.265 6.377 1.00 0.00 C ATOM 752 CE LYS A 50 9.179 16.188 5.157 1.00 0.00 C ATOM 753 NZ LYS A 50 8.873 15.008 4.299 1.00 0.00 N ATOM 0 H LYS A 50 8.037 13.166 9.782 1.00 0.00 H new ATOM 0 HA LYS A 50 6.508 13.456 8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.997 13.269 6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.467 13.962 5.923 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.992 15.326 8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.594 15.112 7.608 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.230 16.230 6.056 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.418 17.222 6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.072 17.100 4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.218 16.138 5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.224 15.179 3.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.337 14.164 4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.845 14.856 4.271 1.00 0.00 H new ATOM 767 N THR A 51 6.685 10.613 7.965 1.00 0.00 N ATOM 768 CA THR A 51 6.252 9.311 7.479 1.00 0.00 C ATOM 769 C THR A 51 4.858 8.963 7.995 1.00 0.00 C ATOM 770 O THR A 51 4.487 9.332 9.109 1.00 0.00 O ATOM 771 CB THR A 51 7.254 8.238 7.909 1.00 0.00 C ATOM 772 OG1 THR A 51 8.534 8.504 7.360 1.00 0.00 O ATOM 773 CG2 THR A 51 6.859 6.837 7.499 1.00 0.00 C ATOM 0 H THR A 51 6.788 10.670 8.978 1.00 0.00 H new ATOM 0 HA THR A 51 6.207 9.351 6.391 1.00 0.00 H new ATOM 0 HB THR A 51 7.270 8.281 8.998 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.819 9.406 7.617 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.617 6.131 7.838 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.899 6.583 7.949 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.775 6.786 6.413 1.00 0.00 H new ATOM 781 N PHE A 52 4.094 8.249 7.173 1.00 0.00 N ATOM 782 CA PHE A 52 2.741 7.848 7.539 1.00 0.00 C ATOM 783 C PHE A 52 2.661 6.343 7.780 1.00 0.00 C ATOM 784 O PHE A 52 3.045 5.549 6.928 1.00 0.00 O ATOM 785 CB PHE A 52 1.755 8.245 6.441 1.00 0.00 C ATOM 786 CG PHE A 52 1.703 9.725 6.186 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.682 10.348 5.431 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.670 10.492 6.702 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.635 11.709 5.195 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.616 11.853 6.469 1.00 0.00 C ATOM 791 CZ PHE A 52 1.600 12.463 5.716 1.00 0.00 C ATOM 0 H PHE A 52 4.390 7.936 6.248 1.00 0.00 H new ATOM 0 HA PHE A 52 2.478 8.362 8.464 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.028 7.735 5.517 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.759 7.897 6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.492 9.763 5.021 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.101 10.021 7.293 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.405 12.183 4.605 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.195 12.439 6.875 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.561 13.527 5.535 1.00 0.00 H new ATOM 801 N THR A 53 2.143 5.957 8.937 1.00 0.00 N ATOM 802 CA THR A 53 1.998 4.547 9.276 1.00 0.00 C ATOM 803 C THR A 53 0.532 4.134 9.300 1.00 0.00 C ATOM 804 O THR A 53 -0.286 4.738 9.994 1.00 0.00 O ATOM 805 CB THR A 53 2.659 4.238 10.621 1.00 0.00 C ATOM 806 OG1 THR A 53 2.425 5.279 11.553 1.00 0.00 O ATOM 807 CG2 THR A 53 4.153 4.018 10.520 1.00 0.00 C ATOM 0 H THR A 53 1.816 6.600 9.658 1.00 0.00 H new ATOM 0 HA THR A 53 2.502 3.969 8.502 1.00 0.00 H new ATOM 0 HB THR A 53 2.201 3.308 10.959 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.589 5.106 12.034 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.557 3.804 11.509 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.353 3.177 9.856 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.627 4.915 10.121 1.00 0.00 H new ATOM 815 N VAL A 54 0.213 3.091 8.541 1.00 0.00 N ATOM 816 CA VAL A 54 -1.148 2.580 8.471 1.00 0.00 C ATOM 817 C VAL A 54 -1.210 1.176 9.059 1.00 0.00 C ATOM 818 O VAL A 54 -0.606 0.245 8.527 1.00 0.00 O ATOM 819 CB VAL A 54 -1.669 2.554 7.018 1.00 0.00 C ATOM 820 CG1 VAL A 54 -3.115 2.078 6.972 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.536 3.929 6.384 1.00 0.00 C ATOM 0 H VAL A 54 0.883 2.582 7.964 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.784 3.250 9.050 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.063 1.850 6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.462 2.067 5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.180 1.072 7.387 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.739 2.753 7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.907 3.895 5.360 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.117 4.652 6.957 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.488 4.228 6.380 1.00 0.00 H new ATOM 831 N THR A 55 -1.933 1.027 10.163 1.00 0.00 N ATOM 832 CA THR A 55 -2.050 -0.271 10.813 1.00 0.00 C ATOM 833 C THR A 55 -3.366 -0.946 10.450 1.00 0.00 C ATOM 834 O THR A 55 -4.441 -0.472 10.818 1.00 0.00 O ATOM 835 CB THR A 55 -1.931 -0.130 12.330 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.832 0.695 12.671 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.731 -1.458 13.027 1.00 0.00 C ATOM 0 H THR A 55 -2.442 1.782 10.623 1.00 0.00 H new ATOM 0 HA THR A 55 -1.232 -0.897 10.456 1.00 0.00 H new ATOM 0 HB THR A 55 -2.872 0.309 12.660 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.773 0.775 13.646 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.653 -1.297 14.102 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.579 -2.110 12.819 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.816 -1.926 12.663 1.00 0.00 H new ATOM 845 N GLU A 56 -3.273 -2.053 9.715 1.00 0.00 N ATOM 846 CA GLU A 56 -4.457 -2.792 9.285 1.00 0.00 C ATOM 847 C GLU A 56 -5.405 -3.039 10.457 1.00 0.00 C ATOM 848 O GLU A 56 -4.915 -3.195 11.594 1.00 0.00 O ATOM 849 CB GLU A 56 -4.035 -4.121 8.643 1.00 0.00 C ATOM 850 CG GLU A 56 -5.185 -4.910 8.030 1.00 0.00 C ATOM 851 CD GLU A 56 -6.141 -5.468 9.066 1.00 0.00 C ATOM 852 OE1 GLU A 56 -5.690 -6.245 9.933 1.00 0.00 O ATOM 853 OE2 GLU A 56 -7.342 -5.127 9.011 1.00 0.00 O ATOM 854 OXT GLU A 56 -6.632 -3.067 10.226 1.00 0.00 O ATOM 0 H GLU A 56 -2.389 -2.457 9.405 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.991 -2.194 8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.294 -3.919 7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.547 -4.738 9.398 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.736 -4.265 7.345 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.780 -5.731 7.438 1.00 0.00 H new ATOM 862 N MET B 1 5.988 18.861 -1.911 1.00 0.00 N ATOM 863 CA MET B 1 7.054 18.041 -1.280 1.00 0.00 C ATOM 864 C MET B 1 6.703 16.557 -1.344 1.00 0.00 C ATOM 865 O MET B 1 5.582 16.192 -1.700 1.00 0.00 O ATOM 866 CB MET B 1 7.219 18.499 0.171 1.00 0.00 C ATOM 867 CG MET B 1 8.424 17.890 0.874 1.00 0.00 C ATOM 868 SD MET B 1 8.775 18.669 2.462 1.00 0.00 S ATOM 869 CE MET B 1 7.246 18.365 3.339 1.00 0.00 C ATOM 0 H1 MET B 1 6.059 19.842 -1.573 1.00 0.00 H new ATOM 0 H2 MET B 1 6.101 18.841 -2.945 1.00 0.00 H new ATOM 0 H3 MET B 1 5.057 18.474 -1.657 1.00 0.00 H new ATOM 0 HA MET B 1 7.992 18.176 -1.818 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.309 19.585 0.191 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.318 18.243 0.728 1.00 0.00 H new ATOM 0 HG2 MET B 1 8.249 16.825 1.028 1.00 0.00 H new ATOM 0 HG3 MET B 1 9.298 17.980 0.229 1.00 0.00 H new ATOM 0 HE1 MET B 1 7.324 18.758 4.353 1.00 0.00 H new ATOM 0 HE2 MET B 1 6.424 18.859 2.820 1.00 0.00 H new ATOM 0 HE3 MET B 1 7.057 17.292 3.380 1.00 0.00 H new ATOM 881 N GLN B 2 7.659 15.705 -0.988 1.00 0.00 N ATOM 882 CA GLN B 2 7.441 14.264 -1.001 1.00 0.00 C ATOM 883 C GLN B 2 7.388 13.715 0.421 1.00 0.00 C ATOM 884 O GLN B 2 8.035 14.246 1.325 1.00 0.00 O ATOM 885 CB GLN B 2 8.547 13.564 -1.791 1.00 0.00 C ATOM 886 CG GLN B 2 8.385 12.052 -1.861 1.00 0.00 C ATOM 887 CD GLN B 2 9.491 11.352 -2.643 1.00 0.00 C ATOM 888 OE1 GLN B 2 9.483 10.126 -2.772 1.00 0.00 O ATOM 889 NE2 GLN B 2 10.446 12.113 -3.173 1.00 0.00 N ATOM 0 H GLN B 2 8.592 15.988 -0.687 1.00 0.00 H new ATOM 0 HA GLN B 2 6.484 14.069 -1.486 1.00 0.00 H new ATOM 0 HB2 GLN B 2 8.568 13.966 -2.804 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.510 13.797 -1.336 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.359 11.651 -0.848 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.424 11.819 -2.320 1.00 0.00 H new ATOM 0 HE21 GLN B 2 10.421 13.125 -3.046 1.00 0.00 H new ATOM 0 HE22 GLN B 2 11.203 11.684 -3.706 1.00 0.00 H new ATOM 898 N TYR B 3 6.615 12.652 0.613 1.00 0.00 N ATOM 899 CA TYR B 3 6.479 12.034 1.926 1.00 0.00 C ATOM 900 C TYR B 3 6.607 10.521 1.822 1.00 0.00 C ATOM 901 O TYR B 3 6.280 9.931 0.792 1.00 0.00 O ATOM 902 CB TYR B 3 5.133 12.404 2.554 1.00 0.00 C ATOM 903 CG TYR B 3 4.969 13.885 2.814 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.957 14.800 1.768 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.826 14.365 4.108 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.809 16.154 2.006 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.676 15.717 4.354 1.00 0.00 C ATOM 908 CZ TYR B 3 4.669 16.607 3.302 1.00 0.00 C ATOM 909 OH TYR B 3 4.520 17.954 3.547 1.00 0.00 O ATOM 0 H TYR B 3 6.073 12.201 -0.124 1.00 0.00 H new ATOM 0 HA TYR B 3 7.280 12.409 2.564 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.331 12.069 1.896 1.00 0.00 H new ATOM 0 HB3 TYR B 3 5.020 11.865 3.494 1.00 0.00 H new ATOM 0 HD1 TYR B 3 5.065 14.448 0.753 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.832 13.672 4.936 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.803 16.853 1.183 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.565 16.074 5.367 1.00 0.00 H new ATOM 0 HH TYR B 3 4.433 18.103 4.512 1.00 0.00 H new ATOM 919 N LYS B 4 7.075 9.891 2.895 1.00 0.00 N ATOM 920 CA LYS B 4 7.233 8.442 2.912 1.00 0.00 C ATOM 921 C LYS B 4 6.085 7.791 3.672 1.00 0.00 C ATOM 922 O LYS B 4 6.002 7.888 4.893 1.00 0.00 O ATOM 923 CB LYS B 4 8.572 8.052 3.544 1.00 0.00 C ATOM 924 CG LYS B 4 8.830 6.555 3.544 1.00 0.00 C ATOM 925 CD LYS B 4 10.202 6.220 4.107 1.00 0.00 C ATOM 926 CE LYS B 4 10.345 6.690 5.545 1.00 0.00 C ATOM 927 NZ LYS B 4 11.683 6.355 6.108 1.00 0.00 N ATOM 0 H LYS B 4 7.350 10.358 3.759 1.00 0.00 H new ATOM 0 HA LYS B 4 7.219 8.085 1.882 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.378 8.551 3.006 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.600 8.417 4.571 1.00 0.00 H new ATOM 0 HG2 LYS B 4 8.063 6.054 4.134 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.751 6.172 2.526 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.363 5.143 4.058 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.972 6.686 3.493 1.00 0.00 H new ATOM 0 HE2 LYS B 4 10.191 7.768 5.592 1.00 0.00 H new ATOM 0 HE3 LYS B 4 9.568 6.230 6.156 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 11.741 6.692 7.090 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 11.820 5.324 6.087 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 12.423 6.814 5.540 1.00 0.00 H new ATOM 941 N VAL B 5 5.197 7.130 2.940 1.00 0.00 N ATOM 942 CA VAL B 5 4.058 6.471 3.551 1.00 0.00 C ATOM 943 C VAL B 5 4.357 5.001 3.822 1.00 0.00 C ATOM 944 O VAL B 5 4.500 4.196 2.903 1.00 0.00 O ATOM 945 CB VAL B 5 2.799 6.594 2.667 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.616 5.891 3.313 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.474 8.058 2.407 1.00 0.00 C ATOM 0 H VAL B 5 5.246 7.038 1.925 1.00 0.00 H new ATOM 0 HA VAL B 5 3.866 6.971 4.500 1.00 0.00 H new ATOM 0 HB VAL B 5 3.002 6.109 1.712 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.740 5.991 2.673 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.849 4.835 3.447 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.410 6.343 4.283 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.584 8.128 1.782 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.293 8.564 3.355 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.313 8.532 1.897 1.00 0.00 H new ATOM 957 N ILE B 6 4.445 4.671 5.100 1.00 0.00 N ATOM 958 CA ILE B 6 4.720 3.311 5.534 1.00 0.00 C ATOM 959 C ILE B 6 3.414 2.577 5.829 1.00 0.00 C ATOM 960 O ILE B 6 2.536 3.097 6.515 1.00 0.00 O ATOM 961 CB ILE B 6 5.634 3.307 6.781 1.00 0.00 C ATOM 962 CG1 ILE B 6 7.003 3.883 6.424 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.786 1.908 7.357 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.957 3.951 7.599 1.00 0.00 C ATOM 0 H ILE B 6 4.328 5.336 5.864 1.00 0.00 H new ATOM 0 HA ILE B 6 5.240 2.792 4.729 1.00 0.00 H new ATOM 0 HB ILE B 6 5.167 3.930 7.544 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.450 3.274 5.638 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.871 4.885 6.015 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.435 1.943 8.232 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.807 1.525 7.646 1.00 0.00 H new ATOM 0 HG23 ILE B 6 6.225 1.251 6.606 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.908 4.370 7.271 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.531 4.584 8.378 1.00 0.00 H new ATOM 0 HD13 ILE B 6 8.119 2.948 7.995 1.00 0.00 H new ATOM 976 N LEU B 7 3.291 1.370 5.288 1.00 0.00 N ATOM 977 CA LEU B 7 2.089 0.564 5.472 1.00 0.00 C ATOM 978 C LEU B 7 2.391 -0.654 6.342 1.00 0.00 C ATOM 979 O LEU B 7 3.004 -1.617 5.881 1.00 0.00 O ATOM 980 CB LEU B 7 1.558 0.126 4.103 1.00 0.00 C ATOM 981 CG LEU B 7 1.575 1.214 3.033 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.014 0.682 1.724 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.794 2.432 3.504 1.00 0.00 C ATOM 0 H LEU B 7 4.011 0.927 4.717 1.00 0.00 H new ATOM 0 HA LEU B 7 1.330 1.161 5.978 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.151 -0.719 3.752 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.535 -0.231 4.223 1.00 0.00 H new ATOM 0 HG LEU B 7 2.608 1.517 2.860 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.034 1.471 0.972 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.619 -0.158 1.384 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.013 0.351 1.876 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.815 3.199 2.730 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.239 2.147 3.704 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.245 2.823 4.416 1.00 0.00 H new ATOM 995 N ASN B 8 1.979 -0.600 7.609 1.00 0.00 N ATOM 996 CA ASN B 8 2.233 -1.697 8.541 1.00 0.00 C ATOM 997 C ASN B 8 0.971 -2.494 8.857 1.00 0.00 C ATOM 998 O ASN B 8 0.092 -2.019 9.569 1.00 0.00 O ATOM 999 CB ASN B 8 2.815 -1.156 9.849 1.00 0.00 C ATOM 1000 CG ASN B 8 4.078 -0.355 9.636 1.00 0.00 C ATOM 1001 OD1 ASN B 8 4.066 0.671 8.958 1.00 0.00 O ATOM 1002 ND2 ASN B 8 5.178 -0.817 10.217 1.00 0.00 N ATOM 0 H ASN B 8 1.471 0.188 8.011 1.00 0.00 H new ATOM 0 HA ASN B 8 2.945 -2.364 8.055 1.00 0.00 H new ATOM 0 HB2 ASN B 8 2.071 -0.530 10.342 1.00 0.00 H new ATOM 0 HB3 ASN B 8 3.026 -1.989 10.520 1.00 0.00 H new ATOM 0 HD21 ASN B 8 6.060 -0.316 10.110 1.00 0.00 H new ATOM 0 HD22 ASN B 8 5.141 -1.673 10.771 1.00 0.00 H new ATOM 1009 N GLY B 9 0.898 -3.718 8.346 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.254 -4.561 8.615 1.00 0.00 C ATOM 1011 C GLY B 9 0.115 -5.774 9.440 1.00 0.00 C ATOM 1012 O GLY B 9 1.236 -5.875 9.937 1.00 0.00 O ATOM 0 H GLY B 9 1.612 -4.141 7.753 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -1.013 -3.982 9.141 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.696 -4.884 7.672 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.821 -6.701 9.580 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.573 -7.916 10.342 1.00 0.00 C ATOM 1018 C LYS B 10 0.247 -8.905 9.522 1.00 0.00 C ATOM 1019 O LYS B 10 1.301 -9.369 9.960 1.00 0.00 O ATOM 1020 CB LYS B 10 -1.892 -8.558 10.777 1.00 0.00 C ATOM 1021 CG LYS B 10 -2.561 -7.850 11.944 1.00 0.00 C ATOM 1022 CD LYS B 10 -2.819 -6.383 11.642 1.00 0.00 C ATOM 1023 CE LYS B 10 -3.513 -5.696 12.804 1.00 0.00 C ATOM 1024 NZ LYS B 10 -2.729 -5.811 14.064 1.00 0.00 N ATOM 0 H LYS B 10 -1.756 -6.636 9.178 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.006 -7.648 11.233 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.577 -8.569 9.929 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.707 -9.597 11.051 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -3.504 -8.344 12.177 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -1.931 -7.933 12.829 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.875 -5.881 11.431 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -3.433 -6.296 10.746 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -3.665 -4.643 12.565 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -4.500 -6.135 12.949 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -2.774 -4.912 14.584 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -3.126 -6.572 14.652 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -1.738 -6.030 13.837 1.00 0.00 H new ATOM 1038 N THR B 11 -0.244 -9.228 8.329 1.00 0.00 N ATOM 1039 CA THR B 11 0.427 -10.161 7.444 1.00 0.00 C ATOM 1040 C THR B 11 1.114 -9.437 6.294 1.00 0.00 C ATOM 1041 O THR B 11 1.653 -10.069 5.386 1.00 0.00 O ATOM 1042 CB THR B 11 -0.594 -11.147 6.884 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.769 -10.466 6.486 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.997 -12.228 7.862 1.00 0.00 C ATOM 0 H THR B 11 -1.114 -8.850 7.954 1.00 0.00 H new ATOM 0 HA THR B 11 1.189 -10.690 8.017 1.00 0.00 H new ATOM 0 HB THR B 11 -0.100 -11.624 6.038 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.555 -10.990 6.747 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.725 -12.890 7.393 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.117 -12.803 8.152 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.440 -11.771 8.747 1.00 0.00 H new ATOM 1052 N LEU B 12 1.083 -8.110 6.324 1.00 0.00 N ATOM 1053 CA LEU B 12 1.694 -7.324 5.267 1.00 0.00 C ATOM 1054 C LEU B 12 2.438 -6.116 5.825 1.00 0.00 C ATOM 1055 O LEU B 12 1.960 -5.439 6.735 1.00 0.00 O ATOM 1056 CB LEU B 12 0.624 -6.880 4.268 1.00 0.00 C ATOM 1057 CG LEU B 12 1.137 -6.061 3.092 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.313 -6.769 2.448 1.00 0.00 C ATOM 1059 CD2 LEU B 12 0.028 -5.828 2.077 1.00 0.00 C ATOM 0 H LEU B 12 0.644 -7.562 7.064 1.00 0.00 H new ATOM 0 HA LEU B 12 2.426 -7.950 4.757 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.120 -7.766 3.881 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.126 -6.294 4.799 1.00 0.00 H new ATOM 0 HG LEU B 12 1.468 -5.089 3.456 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.677 -6.179 1.607 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.112 -6.888 3.180 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.997 -7.750 2.093 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.415 -5.241 1.244 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.334 -6.787 1.707 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.792 -5.289 2.551 1.00 0.00 H new ATOM 1071 N LYS B 13 3.612 -5.855 5.260 1.00 0.00 N ATOM 1072 CA LYS B 13 4.438 -4.727 5.675 1.00 0.00 C ATOM 1073 C LYS B 13 5.167 -4.141 4.471 1.00 0.00 C ATOM 1074 O LYS B 13 5.554 -4.873 3.562 1.00 0.00 O ATOM 1075 CB LYS B 13 5.457 -5.162 6.735 1.00 0.00 C ATOM 1076 CG LYS B 13 4.848 -5.941 7.891 1.00 0.00 C ATOM 1077 CD LYS B 13 4.731 -7.428 7.579 1.00 0.00 C ATOM 1078 CE LYS B 13 6.099 -8.076 7.410 1.00 0.00 C ATOM 1079 NZ LYS B 13 5.990 -9.537 7.147 1.00 0.00 N ATOM 0 H LYS B 13 4.015 -6.414 4.508 1.00 0.00 H new ATOM 0 HA LYS B 13 3.787 -3.967 6.108 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.222 -5.775 6.259 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.957 -4.277 7.129 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.460 -5.805 8.782 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.860 -5.540 8.118 1.00 0.00 H new ATOM 0 HD2 LYS B 13 4.188 -7.927 8.382 1.00 0.00 H new ATOM 0 HD3 LYS B 13 4.148 -7.564 6.668 1.00 0.00 H new ATOM 0 HE2 LYS B 13 6.629 -7.597 6.587 1.00 0.00 H new ATOM 0 HE3 LYS B 13 6.693 -7.912 8.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 6.942 -9.942 7.038 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 5.507 -9.998 7.944 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 5.445 -9.693 6.275 1.00 0.00 H new ATOM 1093 N GLY B 14 5.358 -2.825 4.460 1.00 0.00 N ATOM 1094 CA GLY B 14 6.047 -2.200 3.345 1.00 0.00 C ATOM 1095 C GLY B 14 6.234 -0.706 3.510 1.00 0.00 C ATOM 1096 O GLY B 14 5.978 -0.148 4.577 1.00 0.00 O ATOM 0 H GLY B 14 5.052 -2.186 5.194 1.00 0.00 H new ATOM 0 HA2 GLY B 14 7.023 -2.669 3.223 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.486 -2.389 2.430 1.00 0.00 H new ATOM 1100 N GLU B 15 6.686 -0.060 2.438 1.00 0.00 N ATOM 1101 CA GLU B 15 6.916 1.381 2.437 1.00 0.00 C ATOM 1102 C GLU B 15 6.588 1.974 1.069 1.00 0.00 C ATOM 1103 O GLU B 15 6.874 1.370 0.037 1.00 0.00 O ATOM 1104 CB GLU B 15 8.370 1.687 2.807 1.00 0.00 C ATOM 1105 CG GLU B 15 8.783 1.141 4.165 1.00 0.00 C ATOM 1106 CD GLU B 15 10.225 1.464 4.506 1.00 0.00 C ATOM 1107 OE1 GLU B 15 11.124 1.040 3.748 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.456 2.139 5.532 1.00 0.00 O ATOM 0 H GLU B 15 6.902 -0.517 1.552 1.00 0.00 H new ATOM 0 HA GLU B 15 6.260 1.835 3.180 1.00 0.00 H new ATOM 0 HB2 GLU B 15 9.026 1.270 2.043 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.518 2.767 2.799 1.00 0.00 H new ATOM 0 HG2 GLU B 15 8.130 1.555 4.933 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.644 0.060 4.176 1.00 0.00 H new ATOM 1115 N THR B 16 5.981 3.155 1.072 1.00 0.00 N ATOM 1116 CA THR B 16 5.601 3.832 -0.164 1.00 0.00 C ATOM 1117 C THR B 16 5.828 5.340 -0.051 1.00 0.00 C ATOM 1118 O THR B 16 6.109 5.846 1.031 1.00 0.00 O ATOM 1119 CB THR B 16 4.143 3.513 -0.515 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.623 4.479 -1.392 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.225 3.436 0.685 1.00 0.00 C ATOM 0 H THR B 16 5.740 3.667 1.921 1.00 0.00 H new ATOM 0 HA THR B 16 6.234 3.465 -0.972 1.00 0.00 H new ATOM 0 HB THR B 16 4.173 2.527 -0.979 1.00 0.00 H new ATOM 0 HG1 THR B 16 3.065 4.041 -2.068 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.212 3.207 0.354 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.572 2.653 1.359 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.228 4.393 1.208 1.00 0.00 H new ATOM 1129 N THR B 17 5.735 6.055 -1.174 1.00 0.00 N ATOM 1130 CA THR B 17 5.962 7.500 -1.169 1.00 0.00 C ATOM 1131 C THR B 17 5.033 8.250 -2.129 1.00 0.00 C ATOM 1132 O THR B 17 5.048 8.019 -3.337 1.00 0.00 O ATOM 1133 CB THR B 17 7.414 7.799 -1.536 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.751 7.206 -2.777 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.410 7.306 -0.507 1.00 0.00 C ATOM 0 H THR B 17 5.507 5.663 -2.087 1.00 0.00 H new ATOM 0 HA THR B 17 5.743 7.851 -0.160 1.00 0.00 H new ATOM 0 HB THR B 17 7.478 8.886 -1.586 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.958 7.179 -3.353 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.421 7.552 -0.832 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.210 7.785 0.451 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.317 6.225 -0.399 1.00 0.00 H new ATOM 1143 N THR B 18 4.237 9.163 -1.570 1.00 0.00 N ATOM 1144 CA THR B 18 3.308 9.977 -2.355 1.00 0.00 C ATOM 1145 C THR B 18 3.822 11.413 -2.450 1.00 0.00 C ATOM 1146 O THR B 18 4.377 11.944 -1.489 1.00 0.00 O ATOM 1147 CB THR B 18 1.918 9.965 -1.713 1.00 0.00 C ATOM 1148 OG1 THR B 18 0.976 10.602 -2.557 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.869 10.656 -0.365 1.00 0.00 C ATOM 0 H THR B 18 4.218 9.358 -0.569 1.00 0.00 H new ATOM 0 HA THR B 18 3.237 9.555 -3.358 1.00 0.00 H new ATOM 0 HB THR B 18 1.676 8.912 -1.568 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.238 10.476 -3.493 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.855 10.609 0.031 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.551 10.158 0.324 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.166 11.698 -0.479 1.00 0.00 H new ATOM 1157 N GLU B 19 3.626 12.037 -3.605 1.00 0.00 N ATOM 1158 CA GLU B 19 4.064 13.415 -3.815 1.00 0.00 C ATOM 1159 C GLU B 19 2.891 14.370 -3.616 1.00 0.00 C ATOM 1160 O GLU B 19 1.964 14.389 -4.427 1.00 0.00 O ATOM 1161 CB GLU B 19 4.627 13.574 -5.231 1.00 0.00 C ATOM 1162 CG GLU B 19 5.269 14.925 -5.490 1.00 0.00 C ATOM 1163 CD GLU B 19 6.592 15.089 -4.768 1.00 0.00 C ATOM 1164 OE1 GLU B 19 6.614 14.938 -3.531 1.00 0.00 O ATOM 1165 OE2 GLU B 19 7.605 15.370 -5.442 1.00 0.00 O ATOM 0 H GLU B 19 3.167 11.613 -4.411 1.00 0.00 H new ATOM 0 HA GLU B 19 4.844 13.652 -3.092 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.366 12.792 -5.408 1.00 0.00 H new ATOM 0 HB3 GLU B 19 3.823 13.421 -5.950 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.426 15.049 -6.561 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.587 15.714 -5.174 1.00 0.00 H new ATOM 1172 N ALA B 20 2.917 15.158 -2.540 1.00 0.00 N ATOM 1173 CA ALA B 20 1.831 16.094 -2.268 1.00 0.00 C ATOM 1174 C ALA B 20 2.335 17.380 -1.610 1.00 0.00 C ATOM 1175 O ALA B 20 3.318 17.374 -0.872 1.00 0.00 O ATOM 1176 CB ALA B 20 0.780 15.432 -1.388 1.00 0.00 C ATOM 0 H ALA B 20 3.670 15.166 -1.852 1.00 0.00 H new ATOM 0 HA ALA B 20 1.385 16.368 -3.224 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -0.026 16.138 -1.190 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.378 14.556 -1.897 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.234 15.127 -0.445 1.00 0.00 H new ATOM 1182 N VAL B 21 1.653 18.481 -1.912 1.00 0.00 N ATOM 1183 CA VAL B 21 2.018 19.797 -1.389 1.00 0.00 C ATOM 1184 C VAL B 21 2.194 19.783 0.130 1.00 0.00 C ATOM 1185 O VAL B 21 2.962 20.573 0.680 1.00 0.00 O ATOM 1186 CB VAL B 21 0.954 20.849 -1.753 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.401 22.240 -1.328 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.652 20.807 -3.242 1.00 0.00 C ATOM 0 H VAL B 21 0.836 18.488 -2.523 1.00 0.00 H new ATOM 0 HA VAL B 21 2.971 20.058 -1.850 1.00 0.00 H new ATOM 0 HB VAL B 21 0.038 20.612 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.634 22.966 -1.595 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.558 22.258 -0.249 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.332 22.493 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.102 21.557 -3.482 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.562 21.015 -3.804 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.279 19.819 -3.510 1.00 0.00 H new ATOM 1198 N ASP B 22 1.490 18.882 0.804 1.00 0.00 N ATOM 1199 CA ASP B 22 1.595 18.779 2.261 1.00 0.00 C ATOM 1200 C ASP B 22 1.159 17.406 2.760 1.00 0.00 C ATOM 1201 O ASP B 22 0.749 16.549 1.977 1.00 0.00 O ATOM 1202 CB ASP B 22 0.776 19.879 2.945 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.711 19.760 2.682 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.117 18.797 2.002 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.471 20.627 3.159 1.00 0.00 O ATOM 0 H ASP B 22 0.846 18.217 0.375 1.00 0.00 H new ATOM 0 HA ASP B 22 2.645 18.911 2.522 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.953 19.841 4.020 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.124 20.852 2.598 1.00 0.00 H new ATOM 1210 N ALA B 23 1.263 17.201 4.070 1.00 0.00 N ATOM 1211 CA ALA B 23 0.891 15.929 4.679 1.00 0.00 C ATOM 1212 C ALA B 23 -0.566 15.584 4.411 1.00 0.00 C ATOM 1213 O ALA B 23 -0.892 14.442 4.092 1.00 0.00 O ATOM 1214 CB ALA B 23 1.165 15.960 6.175 1.00 0.00 C ATOM 0 H ALA B 23 1.602 17.901 4.730 1.00 0.00 H new ATOM 0 HA ALA B 23 1.502 15.150 4.223 1.00 0.00 H new ATOM 0 HB1 ALA B 23 0.883 15.004 6.616 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.226 16.140 6.347 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.583 16.758 6.635 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.439 16.575 4.531 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.859 16.358 4.286 1.00 0.00 C ATOM 1222 C ALA B 24 -3.079 15.914 2.849 1.00 0.00 C ATOM 1223 O ALA B 24 -3.644 14.850 2.599 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.655 17.618 4.592 1.00 0.00 C ATOM 0 H ALA B 24 -1.192 17.529 4.794 1.00 0.00 H new ATOM 0 HA ALA B 24 -3.212 15.569 4.950 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.713 17.435 4.403 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.516 17.891 5.638 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.308 18.431 3.955 1.00 0.00 H new ATOM 1230 N THR B 25 -2.599 16.718 1.902 1.00 0.00 N ATOM 1231 CA THR B 25 -2.716 16.381 0.495 1.00 0.00 C ATOM 1232 C THR B 25 -2.197 14.971 0.276 1.00 0.00 C ATOM 1233 O THR B 25 -2.839 14.154 -0.385 1.00 0.00 O ATOM 1234 CB THR B 25 -1.929 17.377 -0.355 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.578 17.439 0.068 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.494 18.782 -0.315 1.00 0.00 C ATOM 0 H THR B 25 -2.128 17.603 2.088 1.00 0.00 H new ATOM 0 HA THR B 25 -3.763 16.431 0.195 1.00 0.00 H new ATOM 0 HB THR B 25 -2.005 17.007 -1.377 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.540 17.402 1.047 1.00 0.00 H new ATOM 0 HG21 THR B 25 -1.887 19.436 -0.940 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.518 18.773 -0.687 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.484 19.149 0.711 1.00 0.00 H new ATOM 1244 N ALA B 26 -1.043 14.680 0.871 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.458 13.354 0.777 1.00 0.00 C ATOM 1246 C ALA B 26 -1.440 12.340 1.343 1.00 0.00 C ATOM 1247 O ALA B 26 -1.807 11.373 0.676 1.00 0.00 O ATOM 1248 CB ALA B 26 0.868 13.296 1.521 1.00 0.00 C ATOM 0 H ALA B 26 -0.499 15.345 1.421 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.258 13.119 -0.268 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.288 12.294 1.438 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.560 14.017 1.087 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.706 13.535 2.572 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.879 12.585 2.579 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.842 11.713 3.241 1.00 0.00 C ATOM 1256 C GLU B 27 -4.017 11.422 2.317 1.00 0.00 C ATOM 1257 O GLU B 27 -4.420 10.272 2.145 1.00 0.00 O ATOM 1258 CB GLU B 27 -3.343 12.374 4.525 1.00 0.00 C ATOM 1259 CG GLU B 27 -4.319 11.516 5.317 1.00 0.00 C ATOM 1260 CD GLU B 27 -3.687 10.243 5.841 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -2.480 10.034 5.598 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -4.400 9.455 6.498 1.00 0.00 O ATOM 0 H GLU B 27 -1.580 13.383 3.140 1.00 0.00 H new ATOM 0 HA GLU B 27 -2.350 10.772 3.488 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -2.488 12.613 5.157 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.826 13.318 4.272 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.708 12.095 6.155 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -5.169 11.261 4.684 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.555 12.480 1.717 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.677 12.350 0.799 1.00 0.00 C ATOM 1271 C LYS B 28 -5.253 11.574 -0.438 1.00 0.00 C ATOM 1272 O LYS B 28 -5.922 10.628 -0.850 1.00 0.00 O ATOM 1273 CB LYS B 28 -6.203 13.730 0.403 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.667 14.561 1.587 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.680 13.803 2.426 1.00 0.00 C ATOM 1276 CE LYS B 28 -8.137 14.620 3.624 1.00 0.00 C ATOM 1277 NZ LYS B 28 -7.002 14.976 4.520 1.00 0.00 N ATOM 0 H LYS B 28 -4.230 13.437 1.852 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.477 11.804 1.300 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.419 14.271 -0.126 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.033 13.608 -0.294 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.810 14.831 2.203 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.109 15.491 1.231 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.542 13.544 1.811 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.241 12.866 2.770 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.625 15.531 3.277 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.880 14.055 4.187 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -7.372 15.303 5.436 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -6.401 14.140 4.668 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -6.440 15.734 4.083 1.00 0.00 H new ATOM 1291 N VAL B 29 -4.127 11.973 -1.020 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.604 11.307 -2.203 1.00 0.00 C ATOM 1293 C VAL B 29 -3.439 9.817 -1.940 1.00 0.00 C ATOM 1294 O VAL B 29 -3.784 8.985 -2.779 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.252 11.908 -2.637 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.691 11.161 -3.836 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.403 13.389 -2.952 1.00 0.00 C ATOM 0 H VAL B 29 -3.560 12.754 -0.690 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.321 11.458 -3.010 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.550 11.801 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.737 11.602 -4.125 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.542 10.113 -3.575 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.391 11.232 -4.669 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.439 13.796 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.123 13.518 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.756 13.916 -2.065 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.930 9.488 -0.761 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.748 8.097 -0.383 1.00 0.00 C ATOM 1309 C VAL B 30 -4.110 7.426 -0.262 1.00 0.00 C ATOM 1310 O VAL B 30 -4.334 6.351 -0.809 1.00 0.00 O ATOM 1311 CB VAL B 30 -1.987 7.957 0.946 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.681 6.494 1.230 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.707 8.781 0.921 1.00 0.00 C ATOM 0 H VAL B 30 -2.638 10.163 -0.054 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.153 7.614 -1.158 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.619 8.338 1.748 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.142 6.412 2.174 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.613 5.933 1.294 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.068 6.088 0.426 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.183 8.668 1.870 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.067 8.434 0.110 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.953 9.831 0.765 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.033 8.083 0.442 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.382 7.550 0.605 1.00 0.00 C ATOM 1325 C LYS B 31 -6.954 7.151 -0.746 1.00 0.00 C ATOM 1326 O LYS B 31 -7.565 6.092 -0.886 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.292 8.570 1.290 1.00 0.00 C ATOM 1328 CG LYS B 31 -7.069 8.656 2.790 1.00 0.00 C ATOM 1329 CD LYS B 31 -7.940 9.722 3.430 1.00 0.00 C ATOM 1330 CE LYS B 31 -7.763 9.741 4.939 1.00 0.00 C ATOM 1331 NZ LYS B 31 -8.219 8.470 5.568 1.00 0.00 N ATOM 0 H LYS B 31 -4.871 8.978 0.904 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.328 6.665 1.240 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.125 9.552 0.847 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.332 8.306 1.098 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.284 7.689 3.245 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -6.020 8.876 2.989 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.686 10.699 3.019 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -8.986 9.536 3.186 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -6.713 9.909 5.179 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.324 10.576 5.360 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -8.323 8.608 6.594 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -9.135 8.190 5.162 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -7.518 7.723 5.389 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.722 7.992 -1.747 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.186 7.704 -3.096 1.00 0.00 C ATOM 1347 C GLN B 32 -6.489 6.448 -3.601 1.00 0.00 C ATOM 1348 O GLN B 32 -7.083 5.618 -4.290 1.00 0.00 O ATOM 1349 CB GLN B 32 -6.899 8.883 -4.030 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.421 8.684 -5.446 1.00 0.00 C ATOM 1351 CD GLN B 32 -8.940 8.595 -5.537 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.642 8.872 -4.437 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -9.483 8.295 -6.600 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.218 8.874 -1.650 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.264 7.544 -3.080 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.346 9.784 -3.611 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -5.823 9.050 -4.069 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.077 9.510 -6.069 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -6.988 7.772 -5.858 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -8.916 8.089 -7.422 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.500 8.252 -6.659 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.217 6.320 -3.231 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.402 5.172 -3.612 1.00 0.00 C ATOM 1364 C PHE B 33 -5.088 3.873 -3.185 1.00 0.00 C ATOM 1365 O PHE B 33 -5.398 3.019 -4.013 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.022 5.292 -2.951 1.00 0.00 C ATOM 1367 CG PHE B 33 -1.990 4.347 -3.491 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.497 4.509 -4.774 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.508 3.298 -2.715 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.546 3.645 -5.278 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.556 2.432 -3.219 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.077 2.609 -4.502 1.00 0.00 C ATOM 0 H PHE B 33 -4.725 7.007 -2.660 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.281 5.154 -4.695 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.661 6.313 -3.075 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.130 5.119 -1.880 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -1.860 5.320 -5.387 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -1.881 3.159 -1.711 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.170 3.782 -6.281 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.188 1.619 -2.611 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.667 1.933 -4.897 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.330 3.752 -1.884 1.00 0.00 N ATOM 1383 CA PHE B 34 -5.988 2.571 -1.323 1.00 0.00 C ATOM 1384 C PHE B 34 -7.453 2.534 -1.709 1.00 0.00 C ATOM 1385 O PHE B 34 -7.989 1.482 -2.055 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.822 2.555 0.190 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.380 2.549 0.581 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.499 1.672 -0.030 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.898 3.430 1.529 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.164 1.674 0.298 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.561 3.433 1.866 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.694 2.554 1.245 1.00 0.00 C ATOM 0 H PHE B 34 -5.080 4.459 -1.193 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.516 1.679 -1.735 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.313 3.427 0.621 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.316 1.675 0.602 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.865 0.979 -0.773 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.573 4.122 2.010 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.486 0.987 -0.186 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -2.192 4.120 2.613 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.645 2.558 1.504 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.093 3.691 -1.673 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.495 3.797 -2.047 1.00 0.00 C ATOM 1404 C ASN B 35 -9.724 3.112 -3.389 1.00 0.00 C ATOM 1405 O ASN B 35 -10.740 2.457 -3.613 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.887 5.270 -2.148 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.343 5.464 -2.503 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.836 4.925 -3.494 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -12.033 6.253 -1.696 1.00 0.00 N ATOM 0 H ASN B 35 -7.664 4.572 -1.388 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.108 3.311 -1.288 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.680 5.762 -1.198 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.266 5.756 -2.901 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -13.019 6.437 -1.883 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.579 6.677 -0.887 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.749 3.285 -4.274 1.00 0.00 N ATOM 1417 CA ASP B 36 -8.799 2.703 -5.610 1.00 0.00 C ATOM 1418 C ASP B 36 -8.082 1.352 -5.689 1.00 0.00 C ATOM 1419 O ASP B 36 -8.382 0.546 -6.569 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.204 3.670 -6.635 1.00 0.00 C ATOM 1421 CG ASP B 36 -8.944 4.992 -6.680 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -10.157 4.985 -6.978 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -8.312 6.037 -6.416 1.00 0.00 O ATOM 0 H ASP B 36 -7.907 3.829 -4.088 1.00 0.00 H new ATOM 0 HA ASP B 36 -9.850 2.527 -5.839 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.157 3.851 -6.394 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.229 3.209 -7.622 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.148 1.088 -4.771 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.438 -0.193 -4.783 1.00 0.00 C ATOM 1430 C ASN B 37 -7.282 -1.263 -4.111 1.00 0.00 C ATOM 1431 O ASN B 37 -7.435 -2.366 -4.632 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.085 -0.102 -4.066 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.092 0.797 -4.775 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -3.979 0.771 -6.000 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.336 1.574 -4.004 1.00 0.00 N ATOM 0 H ASN B 37 -6.871 1.728 -4.027 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.258 -0.454 -5.826 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.242 0.269 -3.053 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.661 -1.102 -3.977 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.630 2.178 -4.425 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.462 1.565 -2.992 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.819 -0.906 -2.946 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.656 -1.794 -2.150 1.00 0.00 C ATOM 1444 C GLY B 38 -9.059 -3.095 -2.823 1.00 0.00 C ATOM 1445 O GLY B 38 -8.224 -3.964 -3.075 1.00 0.00 O ATOM 0 H GLY B 38 -7.683 0.014 -2.527 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.127 -2.032 -1.227 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.561 -1.256 -1.869 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.359 -3.252 -3.038 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.902 -4.484 -3.604 1.00 0.00 C ATOM 1451 C VAL B 39 -11.444 -4.326 -5.022 1.00 0.00 C ATOM 1452 O VAL B 39 -12.011 -5.269 -5.574 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.045 -4.998 -2.724 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.542 -6.358 -3.198 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -11.620 -5.054 -1.266 1.00 0.00 C ATOM 0 H VAL B 39 -11.060 -2.541 -2.829 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.067 -5.184 -3.642 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.873 -4.295 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -13.353 -6.694 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.904 -6.276 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.725 -7.078 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -12.448 -5.422 -0.660 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -10.767 -5.725 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.340 -4.056 -0.930 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.282 -3.159 -5.624 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.779 -2.948 -6.984 1.00 0.00 C ATOM 1467 C ASP B 40 -10.674 -2.460 -7.923 1.00 0.00 C ATOM 1468 O ASP B 40 -10.950 -2.021 -9.038 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.931 -1.942 -6.975 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.107 -2.417 -6.141 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -14.668 -3.485 -6.461 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -14.463 -1.722 -5.167 1.00 0.00 O ATOM 0 H ASP B 40 -10.819 -2.352 -5.206 1.00 0.00 H new ATOM 0 HA ASP B 40 -12.135 -3.909 -7.355 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.574 -0.989 -6.585 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.263 -1.764 -7.998 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.425 -2.527 -7.467 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.314 -2.076 -8.286 1.00 0.00 C ATOM 1479 C GLY B 41 -7.831 -3.130 -9.269 1.00 0.00 C ATOM 1480 O GLY B 41 -8.314 -4.262 -9.265 1.00 0.00 O ATOM 0 H GLY B 41 -9.164 -2.884 -6.548 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.615 -1.185 -8.837 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.487 -1.786 -7.638 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.869 -2.752 -10.108 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.307 -3.663 -11.102 1.00 0.00 C ATOM 1486 C GLU B 42 -4.992 -4.253 -10.604 1.00 0.00 C ATOM 1487 O GLU B 42 -3.951 -3.593 -10.639 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.081 -2.933 -12.426 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.349 -2.341 -13.016 1.00 0.00 C ATOM 1490 CD GLU B 42 -7.098 -1.615 -14.324 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -6.314 -0.643 -14.322 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -7.687 -2.017 -15.349 1.00 0.00 O ATOM 0 H GLU B 42 -6.461 -1.817 -10.119 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.017 -4.474 -11.262 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.354 -2.135 -12.272 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.645 -3.627 -13.145 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -8.076 -3.137 -13.180 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.791 -1.649 -12.299 1.00 0.00 H new ATOM 1499 N TRP B 43 -5.049 -5.489 -10.114 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.869 -6.160 -9.583 1.00 0.00 C ATOM 1501 C TRP B 43 -3.132 -6.977 -10.640 1.00 0.00 C ATOM 1502 O TRP B 43 -3.633 -7.998 -11.108 1.00 0.00 O ATOM 1503 CB TRP B 43 -4.268 -7.085 -8.436 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.909 -6.380 -7.285 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.998 -5.558 -7.323 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.499 -6.441 -5.919 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -6.291 -5.106 -6.059 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -5.383 -5.637 -5.177 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.469 -7.105 -5.252 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.264 -5.478 -3.800 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.350 -6.945 -3.887 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.245 -6.141 -3.172 1.00 0.00 C ATOM 0 H TRP B 43 -5.903 -6.046 -10.074 1.00 0.00 H new ATOM 0 HA TRP B 43 -3.195 -5.379 -9.232 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.955 -7.841 -8.815 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -3.381 -7.610 -8.080 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -6.549 -5.301 -8.216 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -7.058 -4.479 -5.816 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -2.778 -7.733 -5.794 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.951 -4.854 -3.247 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.553 -7.449 -3.361 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.129 -6.042 -2.103 1.00 0.00 H new ATOM 1523 N THR B 44 -1.929 -6.531 -10.989 1.00 0.00 N ATOM 1524 CA THR B 44 -1.105 -7.234 -11.965 1.00 0.00 C ATOM 1525 C THR B 44 0.017 -7.982 -11.247 1.00 0.00 C ATOM 1526 O THR B 44 0.673 -7.428 -10.366 1.00 0.00 O ATOM 1527 CB THR B 44 -0.525 -6.248 -12.983 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.221 -5.237 -12.333 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.580 -5.566 -13.828 1.00 0.00 C ATOM 0 H THR B 44 -1.503 -5.685 -10.610 1.00 0.00 H new ATOM 0 HA THR B 44 -1.724 -7.953 -12.501 1.00 0.00 H new ATOM 0 HB THR B 44 0.107 -6.849 -13.636 1.00 0.00 H new ATOM 0 HG1 THR B 44 0.101 -5.314 -11.363 1.00 0.00 H new ATOM 0 HG21 THR B 44 -1.100 -4.881 -14.527 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.142 -6.317 -14.383 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.259 -5.008 -13.183 1.00 0.00 H new ATOM 1537 N TYR B 45 0.223 -9.245 -11.607 1.00 0.00 N ATOM 1538 CA TYR B 45 1.255 -10.058 -10.969 1.00 0.00 C ATOM 1539 C TYR B 45 2.392 -10.377 -11.937 1.00 0.00 C ATOM 1540 O TYR B 45 2.171 -10.569 -13.134 1.00 0.00 O ATOM 1541 CB TYR B 45 0.640 -11.354 -10.433 1.00 0.00 C ATOM 1542 CG TYR B 45 1.591 -12.194 -9.611 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.497 -11.604 -8.738 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.575 -13.578 -9.702 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.364 -12.371 -7.982 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.438 -14.354 -8.949 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.330 -13.746 -8.092 1.00 0.00 C ATOM 1548 OH TYR B 45 4.191 -14.513 -7.340 1.00 0.00 O ATOM 0 H TYR B 45 -0.307 -9.727 -12.333 1.00 0.00 H new ATOM 0 HA TYR B 45 1.673 -9.485 -10.141 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.229 -11.106 -9.823 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.281 -11.948 -11.273 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.524 -10.528 -8.649 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.877 -14.058 -10.372 1.00 0.00 H new ATOM 0 HE1 TYR B 45 4.064 -11.897 -7.310 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.413 -15.430 -9.032 1.00 0.00 H new ATOM 0 HH TYR B 45 3.877 -14.543 -6.412 1.00 0.00 H new ATOM 1558 N ASP B 46 3.612 -10.434 -11.407 1.00 0.00 N ATOM 1559 CA ASP B 46 4.789 -10.733 -12.216 1.00 0.00 C ATOM 1560 C ASP B 46 5.531 -11.951 -11.668 1.00 0.00 C ATOM 1561 O ASP B 46 6.479 -11.814 -10.895 1.00 0.00 O ATOM 1562 CB ASP B 46 5.726 -9.523 -12.253 1.00 0.00 C ATOM 1563 CG ASP B 46 6.952 -9.761 -13.115 1.00 0.00 C ATOM 1564 OD1 ASP B 46 6.785 -10.020 -14.325 1.00 0.00 O ATOM 1565 OD2 ASP B 46 8.078 -9.689 -12.579 1.00 0.00 O ATOM 0 H ASP B 46 3.810 -10.277 -10.419 1.00 0.00 H new ATOM 0 HA ASP B 46 4.457 -10.959 -13.229 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.182 -8.658 -12.632 1.00 0.00 H new ATOM 0 HB3 ASP B 46 6.041 -9.281 -11.238 1.00 0.00 H new ATOM 1570 N ASP B 47 5.091 -13.140 -12.071 1.00 0.00 N ATOM 1571 CA ASP B 47 5.709 -14.386 -11.619 1.00 0.00 C ATOM 1572 C ASP B 47 7.230 -14.340 -11.760 1.00 0.00 C ATOM 1573 O ASP B 47 7.956 -14.885 -10.930 1.00 0.00 O ATOM 1574 CB ASP B 47 5.156 -15.568 -12.415 1.00 0.00 C ATOM 1575 CG ASP B 47 3.650 -15.705 -12.287 1.00 0.00 C ATOM 1576 OD1 ASP B 47 3.036 -14.881 -11.579 1.00 0.00 O ATOM 1577 OD2 ASP B 47 3.085 -16.639 -12.896 1.00 0.00 O ATOM 0 H ASP B 47 4.307 -13.268 -12.711 1.00 0.00 H new ATOM 0 HA ASP B 47 5.468 -14.511 -10.563 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.418 -15.448 -13.466 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.631 -16.487 -12.071 1.00 0.00 H new ATOM 1582 N ALA B 48 7.701 -13.702 -12.827 1.00 0.00 N ATOM 1583 CA ALA B 48 9.133 -13.601 -13.096 1.00 0.00 C ATOM 1584 C ALA B 48 9.912 -13.119 -11.874 1.00 0.00 C ATOM 1585 O ALA B 48 11.058 -13.520 -11.664 1.00 0.00 O ATOM 1586 CB ALA B 48 9.379 -12.672 -14.275 1.00 0.00 C ATOM 0 H ALA B 48 7.110 -13.245 -13.522 1.00 0.00 H new ATOM 0 HA ALA B 48 9.493 -14.601 -13.340 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.450 -12.604 -14.467 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.876 -13.065 -15.159 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.988 -11.681 -14.045 1.00 0.00 H new ATOM 1592 N THR B 49 9.295 -12.259 -11.074 1.00 0.00 N ATOM 1593 CA THR B 49 9.948 -11.730 -9.881 1.00 0.00 C ATOM 1594 C THR B 49 9.085 -11.920 -8.635 1.00 0.00 C ATOM 1595 O THR B 49 9.332 -11.297 -7.602 1.00 0.00 O ATOM 1596 CB THR B 49 10.267 -10.247 -10.072 1.00 0.00 C ATOM 1597 OG1 THR B 49 9.084 -9.505 -10.307 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.213 -9.983 -11.224 1.00 0.00 C ATOM 0 H THR B 49 8.348 -11.913 -11.227 1.00 0.00 H new ATOM 0 HA THR B 49 10.874 -12.286 -9.735 1.00 0.00 H new ATOM 0 HB THR B 49 10.751 -9.934 -9.147 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.999 -9.319 -11.266 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.398 -8.912 -11.305 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.155 -10.502 -11.047 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.768 -10.345 -12.151 1.00 0.00 H new ATOM 1606 N LYS B 50 8.072 -12.782 -8.734 1.00 0.00 N ATOM 1607 CA LYS B 50 7.178 -13.046 -7.607 1.00 0.00 C ATOM 1608 C LYS B 50 6.734 -11.740 -6.953 1.00 0.00 C ATOM 1609 O LYS B 50 6.592 -11.654 -5.730 1.00 0.00 O ATOM 1610 CB LYS B 50 7.871 -13.939 -6.582 1.00 0.00 C ATOM 1611 CG LYS B 50 8.267 -15.290 -7.148 1.00 0.00 C ATOM 1612 CD LYS B 50 7.963 -16.409 -6.173 1.00 0.00 C ATOM 1613 CE LYS B 50 8.854 -16.353 -4.941 1.00 0.00 C ATOM 1614 NZ LYS B 50 8.565 -15.167 -4.086 1.00 0.00 N ATOM 0 H LYS B 50 7.851 -13.307 -9.580 1.00 0.00 H new ATOM 0 HA LYS B 50 6.294 -13.561 -7.983 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.761 -13.432 -6.209 1.00 0.00 H new ATOM 0 HB3 LYS B 50 7.208 -14.088 -5.730 1.00 0.00 H new ATOM 0 HG2 LYS B 50 7.734 -15.465 -8.083 1.00 0.00 H new ATOM 0 HG3 LYS B 50 9.331 -15.290 -7.383 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.918 -16.349 -5.867 1.00 0.00 H new ATOM 0 HD3 LYS B 50 8.095 -17.369 -6.672 1.00 0.00 H new ATOM 0 HE2 LYS B 50 8.717 -17.262 -4.355 1.00 0.00 H new ATOM 0 HE3 LYS B 50 9.898 -16.328 -5.252 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 8.913 -15.341 -3.122 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 9.041 -14.331 -4.480 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 7.539 -15.001 -4.059 1.00 0.00 H new ATOM 1628 N THR B 51 6.537 -10.720 -7.783 1.00 0.00 N ATOM 1629 CA THR B 51 6.128 -9.408 -7.302 1.00 0.00 C ATOM 1630 C THR B 51 4.751 -9.027 -7.837 1.00 0.00 C ATOM 1631 O THR B 51 4.388 -9.388 -8.957 1.00 0.00 O ATOM 1632 CB THR B 51 7.163 -8.361 -7.718 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.427 -8.658 -7.150 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.797 -6.950 -7.313 1.00 0.00 C ATOM 0 H THR B 51 6.655 -10.779 -8.794 1.00 0.00 H new ATOM 0 HA THR B 51 6.065 -9.446 -6.214 1.00 0.00 H new ATOM 0 HB THR B 51 7.194 -8.406 -8.807 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.694 -9.566 -7.403 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.577 -6.263 -7.641 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.850 -6.672 -7.777 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.699 -6.896 -6.229 1.00 0.00 H new ATOM 1642 N PHE B 52 3.993 -8.295 -7.026 1.00 0.00 N ATOM 1643 CA PHE B 52 2.655 -7.860 -7.412 1.00 0.00 C ATOM 1644 C PHE B 52 2.615 -6.355 -7.653 1.00 0.00 C ATOM 1645 O PHE B 52 3.007 -5.570 -6.796 1.00 0.00 O ATOM 1646 CB PHE B 52 1.645 -8.236 -6.326 1.00 0.00 C ATOM 1647 CG PHE B 52 1.553 -9.712 -6.073 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.507 -10.358 -5.305 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.510 -10.454 -6.605 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.422 -11.718 -5.070 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.420 -11.813 -6.372 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.377 -12.445 -5.606 1.00 0.00 C ATOM 0 H PHE B 52 4.283 -7.990 -6.097 1.00 0.00 H new ATOM 0 HA PHE B 52 2.392 -8.365 -8.342 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.919 -7.734 -5.398 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.661 -7.863 -6.612 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.326 -9.794 -4.885 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.240 -9.965 -7.208 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.171 -12.211 -4.468 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.399 -12.380 -6.789 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.309 -13.508 -5.425 1.00 0.00 H new ATOM 1662 N THR B 53 2.123 -5.955 -8.818 1.00 0.00 N ATOM 1663 CA THR B 53 2.019 -4.543 -9.158 1.00 0.00 C ATOM 1664 C THR B 53 0.564 -4.095 -9.203 1.00 0.00 C ATOM 1665 O THR B 53 -0.259 -4.679 -9.908 1.00 0.00 O ATOM 1666 CB THR B 53 2.706 -4.250 -10.495 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.460 -5.284 -11.428 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.203 -4.065 -10.371 1.00 0.00 C ATOM 0 H THR B 53 1.789 -6.589 -9.544 1.00 0.00 H new ATOM 0 HA THR B 53 2.527 -3.978 -8.377 1.00 0.00 H new ATOM 0 HB THR B 53 2.276 -3.310 -10.842 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.652 -5.075 -11.942 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.627 -3.861 -11.354 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.412 -3.228 -9.704 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.649 -4.973 -9.965 1.00 0.00 H new ATOM 1676 N VAL B 54 0.259 -3.045 -8.448 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.091 -2.499 -8.397 1.00 0.00 C ATOM 1678 C VAL B 54 -1.110 -1.095 -8.985 1.00 0.00 C ATOM 1679 O VAL B 54 -0.490 -0.179 -8.444 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.632 -2.461 -6.952 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -3.066 -1.951 -6.926 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.539 -3.839 -6.316 1.00 0.00 C ATOM 0 H VAL B 54 0.933 -2.554 -7.861 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.735 -3.153 -8.985 1.00 0.00 H new ATOM 0 HB VAL B 54 -1.018 -1.771 -6.372 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.427 -1.933 -5.898 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -3.102 -0.944 -7.341 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.698 -2.611 -7.521 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.924 -3.796 -5.297 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.128 -4.548 -6.897 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.498 -4.161 -6.297 1.00 0.00 H new ATOM 1692 N THR B 55 -1.815 -0.930 -10.100 1.00 0.00 N ATOM 1693 CA THR B 55 -1.890 0.372 -10.752 1.00 0.00 C ATOM 1694 C THR B 55 -3.195 1.078 -10.407 1.00 0.00 C ATOM 1695 O THR B 55 -4.276 0.631 -10.789 1.00 0.00 O ATOM 1696 CB THR B 55 -1.752 0.227 -12.267 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.670 -0.625 -12.592 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.510 1.550 -12.960 1.00 0.00 C ATOM 0 H THR B 55 -2.337 -1.672 -10.566 1.00 0.00 H new ATOM 0 HA THR B 55 -1.063 0.979 -10.384 1.00 0.00 H new ATOM 0 HB THR B 55 -2.699 -0.190 -12.612 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.599 -0.707 -13.566 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.420 1.387 -14.034 1.00 0.00 H new ATOM 0 HG22 THR B 55 -2.346 2.222 -12.764 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.590 1.996 -12.582 1.00 0.00 H new ATOM 1706 N GLU B 56 -3.085 2.182 -9.671 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.256 2.951 -9.258 1.00 0.00 C ATOM 1708 C GLU B 56 -5.181 3.220 -10.442 1.00 0.00 C ATOM 1709 O GLU B 56 -4.672 3.364 -11.571 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.812 4.268 -8.610 1.00 0.00 C ATOM 1711 CG GLU B 56 -4.949 5.085 -8.012 1.00 0.00 C ATOM 1712 CD GLU B 56 -5.878 5.666 -9.062 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -5.395 6.432 -9.922 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -7.087 5.354 -9.023 1.00 0.00 O ATOM 1715 OXT GLU B 56 -6.411 3.277 -10.228 1.00 0.00 O ATOM 0 H GLU B 56 -2.196 2.564 -9.348 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.814 2.366 -8.527 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.087 4.048 -7.827 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.299 4.873 -9.358 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -5.525 4.455 -7.334 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -4.532 5.896 -7.415 1.00 0.00 H new