USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 THR OG1 : rot -74:sc= 1.3 USER MOD Set 1.2: A 87 LYS NZ :NH3+ 150:sc= 0.7 (180deg=-0.19) USER MOD Single : A 1 LYS N :NH3+ -170:sc= 0 (180deg=-0.081) USER MOD Single : A 1 LYS NZ :NH3+ 166:sc= 1.03 (180deg=0.388) USER MOD Single : A 5 THR OG1 : rot 105:sc= 0.919 USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= 0.974 (180deg=0.955) USER MOD Single : A 9 GLN : amide:sc= 0.772 K(o=0.77,f=-0.062) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot -8:sc= 1.23 USER MOD Single : A 23 THR OG1 : rot 169:sc= 1.03 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -158:sc= 1.07 (180deg=-0.00838) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 51 SER OG : rot 88:sc= 1.94 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= 1.18 (180deg=0.953) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 71 LYS NZ :NH3+ 161:sc= 1 (180deg=-0.204!) USER MOD Single : A 74 TYR OH : rot -140:sc= -0.657 USER MOD Single : A 75 LYS NZ :NH3+ 168:sc= 0.562 (180deg=0.496) USER MOD Single : A 78 ASN : amide:sc= -0.09 X(o=-0.09,f=-0.068) USER MOD Single : A 82 ASN : amide:sc= 0.954 K(o=0.95,f=-0.035) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 1 2.554 13.263 5.436 1.00 0.00 N ATOM 36 CA LYS A 1 1.353 13.687 6.219 1.00 0.00 C ATOM 37 C LYS A 1 0.606 12.450 6.831 1.00 0.00 C ATOM 38 O LYS A 1 1.177 11.783 7.701 1.00 0.00 O ATOM 39 CB LYS A 1 0.505 14.683 5.362 1.00 0.00 C ATOM 40 CG LYS A 1 1.139 16.010 4.863 1.00 0.00 C ATOM 41 CD LYS A 1 1.492 17.043 5.960 1.00 0.00 C ATOM 42 CE LYS A 1 2.942 16.930 6.463 1.00 0.00 C ATOM 43 NZ LYS A 1 3.199 17.960 7.506 1.00 0.00 N ATOM 0 H1 LYS A 1 3.120 14.100 5.188 1.00 0.00 H new ATOM 0 H2 LYS A 1 3.130 12.613 6.008 1.00 0.00 H new ATOM 0 H3 LYS A 1 2.249 12.781 4.567 1.00 0.00 H new ATOM 0 HA LYS A 1 1.633 14.254 7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 1 0.156 14.140 4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -0.377 14.944 5.946 1.00 0.00 H new ATOM 0 HG2 LYS A 1 2.047 15.771 4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 1 0.451 16.477 4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 1 1.328 18.047 5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 1 0.812 16.914 6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 1 3.118 15.935 6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 1 3.635 17.061 5.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 4.083 17.735 8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 3.283 18.895 7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 2.411 17.971 8.184 1.00 0.00 H new ATOM 57 N VAL A 2 -0.626 12.113 6.399 1.00 0.00 N ATOM 58 CA VAL A 2 -1.343 10.881 6.854 1.00 0.00 C ATOM 59 C VAL A 2 -1.413 9.893 5.641 1.00 0.00 C ATOM 60 O VAL A 2 -2.412 9.809 4.917 1.00 0.00 O ATOM 61 CB VAL A 2 -2.724 11.221 7.519 1.00 0.00 C ATOM 62 CG1 VAL A 2 -3.463 9.957 8.017 1.00 0.00 C ATOM 63 CG2 VAL A 2 -2.622 12.174 8.737 1.00 0.00 C ATOM 0 H VAL A 2 -1.156 12.673 5.732 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.799 10.381 7.655 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.273 11.713 6.716 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -4.412 10.245 8.469 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.649 9.289 7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.849 9.445 8.758 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.618 12.359 9.139 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.000 11.716 9.506 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.176 13.118 8.424 1.00 0.00 H new ATOM 73 N ASP A 3 -0.328 9.124 5.460 1.00 0.00 N ATOM 74 CA ASP A 3 -0.305 7.909 4.615 1.00 0.00 C ATOM 75 C ASP A 3 -0.776 6.704 5.471 1.00 0.00 C ATOM 76 O ASP A 3 -0.074 6.326 6.415 1.00 0.00 O ATOM 77 CB ASP A 3 1.145 7.752 4.090 1.00 0.00 C ATOM 78 CG ASP A 3 1.355 6.591 3.113 1.00 0.00 C ATOM 79 OD1 ASP A 3 1.307 5.415 3.533 1.00 0.00 O ATOM 80 OD2 ASP A 3 1.585 6.855 1.915 1.00 0.00 O ATOM 0 H ASP A 3 0.570 9.326 5.899 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.978 7.971 3.759 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.440 8.679 3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.812 7.616 4.942 1.00 0.00 H new ATOM 85 N ILE A 4 -1.932 6.093 5.145 1.00 0.00 N ATOM 86 CA ILE A 4 -2.252 4.725 5.641 1.00 0.00 C ATOM 87 C ILE A 4 -1.869 3.696 4.518 1.00 0.00 C ATOM 88 O ILE A 4 -2.516 3.608 3.467 1.00 0.00 O ATOM 89 CB ILE A 4 -3.681 4.611 6.274 1.00 0.00 C ATOM 90 CG1 ILE A 4 -3.809 3.339 7.165 1.00 0.00 C ATOM 91 CG2 ILE A 4 -4.816 4.697 5.238 1.00 0.00 C ATOM 92 CD1 ILE A 4 -5.134 3.162 7.930 1.00 0.00 C ATOM 0 H ILE A 4 -2.651 6.508 4.553 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.642 4.469 6.507 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.798 5.484 6.916 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.662 2.464 6.532 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.996 3.348 7.891 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.778 4.611 5.744 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.763 5.654 4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.712 3.887 4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.098 2.241 8.512 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.283 4.009 8.600 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.960 3.111 7.220 1.00 0.00 H new ATOM 104 N THR A 5 -0.785 2.940 4.748 1.00 0.00 N ATOM 105 CA THR A 5 -0.315 1.877 3.817 1.00 0.00 C ATOM 106 C THR A 5 -0.607 0.497 4.488 1.00 0.00 C ATOM 107 O THR A 5 -0.119 0.193 5.582 1.00 0.00 O ATOM 108 CB THR A 5 1.162 2.142 3.386 1.00 0.00 C ATOM 109 OG1 THR A 5 1.218 3.270 2.508 1.00 0.00 O ATOM 110 CG2 THR A 5 1.801 1.006 2.567 1.00 0.00 C ATOM 0 H THR A 5 -0.204 3.040 5.580 1.00 0.00 H new ATOM 0 HA THR A 5 -0.854 1.877 2.870 1.00 0.00 H new ATOM 0 HB THR A 5 1.695 2.271 4.328 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.579 4.043 2.991 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.826 1.274 2.311 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.803 0.089 3.156 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.228 0.849 1.653 1.00 0.00 H new ATOM 118 N ILE A 6 -1.443 -0.324 3.832 1.00 0.00 N ATOM 119 CA ILE A 6 -1.947 -1.607 4.396 1.00 0.00 C ATOM 120 C ILE A 6 -1.405 -2.766 3.498 1.00 0.00 C ATOM 121 O ILE A 6 -1.649 -2.788 2.288 1.00 0.00 O ATOM 122 CB ILE A 6 -3.518 -1.646 4.531 1.00 0.00 C ATOM 123 CG1 ILE A 6 -4.176 -0.413 5.229 1.00 0.00 C ATOM 124 CG2 ILE A 6 -3.976 -2.913 5.302 1.00 0.00 C ATOM 125 CD1 ILE A 6 -4.579 0.721 4.274 1.00 0.00 C ATOM 0 H ILE A 6 -1.794 -0.126 2.895 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.581 -1.719 5.417 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.856 -1.643 3.495 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.062 -0.747 5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.481 -0.017 5.970 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.063 -2.917 5.382 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.648 -3.804 4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.539 -2.909 6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.027 1.535 4.844 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.696 1.088 3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.301 0.346 3.548 1.00 0.00 H new ATOM 137 N LYS A 7 -0.734 -3.762 4.103 1.00 0.00 N ATOM 138 CA LYS A 7 -0.534 -5.093 3.461 1.00 0.00 C ATOM 139 C LYS A 7 -1.451 -6.129 4.183 1.00 0.00 C ATOM 140 O LYS A 7 -1.188 -6.523 5.327 1.00 0.00 O ATOM 141 CB LYS A 7 0.969 -5.506 3.455 1.00 0.00 C ATOM 142 CG LYS A 7 1.807 -4.969 2.268 1.00 0.00 C ATOM 143 CD LYS A 7 2.427 -3.562 2.449 1.00 0.00 C ATOM 144 CE LYS A 7 2.805 -2.807 1.152 1.00 0.00 C ATOM 145 NZ LYS A 7 3.725 -3.579 0.272 1.00 0.00 N ATOM 0 H LYS A 7 -0.319 -3.681 5.031 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.821 -5.050 2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.425 -5.162 4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.028 -6.594 3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.613 -5.676 2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.173 -4.952 1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.723 -2.947 3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.323 -3.659 3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.896 -2.571 0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.274 -1.859 1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.914 -3.036 -0.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.619 -3.754 0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.285 -4.488 0.022 1.00 0.00 H new ATOM 159 N ILE A 8 -2.528 -6.579 3.504 1.00 0.00 N ATOM 160 CA ILE A 8 -3.428 -7.653 4.029 1.00 0.00 C ATOM 161 C ILE A 8 -2.788 -9.028 3.639 1.00 0.00 C ATOM 162 O ILE A 8 -3.004 -9.559 2.545 1.00 0.00 O ATOM 163 CB ILE A 8 -4.917 -7.484 3.546 1.00 0.00 C ATOM 164 CG1 ILE A 8 -5.535 -6.092 3.873 1.00 0.00 C ATOM 165 CG2 ILE A 8 -5.819 -8.597 4.137 1.00 0.00 C ATOM 166 CD1 ILE A 8 -6.876 -5.762 3.195 1.00 0.00 C ATOM 0 H ILE A 8 -2.804 -6.221 2.590 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.505 -7.590 5.114 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.877 -7.566 2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.672 -6.024 4.952 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.813 -5.324 3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.843 -8.459 3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.454 -9.572 3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.796 -8.545 5.225 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.203 -4.768 3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.752 -5.786 2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.624 -6.497 3.491 1.00 0.00 H new ATOM 178 N GLN A 9 -1.985 -9.577 4.559 1.00 0.00 N ATOM 179 CA GLN A 9 -1.143 -10.774 4.319 1.00 0.00 C ATOM 180 C GLN A 9 -1.947 -12.093 4.555 1.00 0.00 C ATOM 181 O GLN A 9 -1.984 -12.679 5.642 1.00 0.00 O ATOM 182 CB GLN A 9 0.125 -10.549 5.188 1.00 0.00 C ATOM 183 CG GLN A 9 1.228 -11.632 5.084 1.00 0.00 C ATOM 184 CD GLN A 9 2.466 -11.335 5.936 1.00 0.00 C ATOM 185 OE1 GLN A 9 2.611 -11.808 7.060 1.00 0.00 O ATOM 186 NE2 GLN A 9 3.392 -10.546 5.444 1.00 0.00 N ATOM 0 H GLN A 9 -1.895 -9.204 5.504 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.827 -10.902 3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.561 -9.588 4.914 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.184 -10.474 6.231 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.811 -12.592 5.387 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.531 -11.731 4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.280 -10.148 4.511 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.223 -10.330 5.994 1.00 0.00 H new ATOM 195 N ARG A 10 -2.598 -12.554 3.480 1.00 0.00 N ATOM 196 CA ARG A 10 -3.276 -13.875 3.425 1.00 0.00 C ATOM 197 C ARG A 10 -2.249 -14.969 2.980 1.00 0.00 C ATOM 198 O ARG A 10 -1.294 -14.685 2.245 1.00 0.00 O ATOM 199 CB ARG A 10 -4.480 -13.773 2.437 1.00 0.00 C ATOM 200 CG ARG A 10 -5.547 -12.691 2.759 1.00 0.00 C ATOM 201 CD ARG A 10 -6.625 -12.535 1.670 1.00 0.00 C ATOM 202 NE ARG A 10 -7.502 -11.360 1.947 1.00 0.00 N ATOM 203 CZ ARG A 10 -8.573 -11.353 2.744 1.00 0.00 C ATOM 204 NH1 ARG A 10 -9.041 -12.422 3.336 1.00 0.00 N ATOM 205 NH2 ARG A 10 -9.180 -10.220 2.946 1.00 0.00 N ATOM 0 H ARG A 10 -2.675 -12.024 2.612 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.656 -14.160 4.406 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.087 -13.579 1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.976 -14.743 2.402 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.031 -12.942 3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.047 -11.733 2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.149 -12.416 0.697 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.230 -13.440 1.620 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.261 -10.483 1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.583 -13.323 3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.864 -12.354 3.934 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.835 -9.370 2.500 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.001 -10.182 3.550 1.00 0.00 H new ATOM 219 N ASP A 11 -2.440 -16.228 3.405 1.00 0.00 N ATOM 220 CA ASP A 11 -1.444 -17.317 3.171 1.00 0.00 C ATOM 221 C ASP A 11 -1.371 -17.750 1.663 1.00 0.00 C ATOM 222 O ASP A 11 -2.163 -18.568 1.185 1.00 0.00 O ATOM 223 CB ASP A 11 -1.770 -18.502 4.122 1.00 0.00 C ATOM 224 CG ASP A 11 -1.701 -18.222 5.627 1.00 0.00 C ATOM 225 OD1 ASP A 11 -2.473 -17.375 6.125 1.00 0.00 O ATOM 226 OD2 ASP A 11 -0.938 -18.893 6.350 1.00 0.00 O ATOM 0 H ASP A 11 -3.271 -16.530 3.914 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.446 -16.945 3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.773 -18.858 3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.082 -19.317 3.897 1.00 0.00 H new ATOM 231 N GLY A 12 -0.448 -17.124 0.911 1.00 0.00 N ATOM 232 CA GLY A 12 -0.512 -17.097 -0.579 1.00 0.00 C ATOM 233 C GLY A 12 -0.557 -15.710 -1.272 1.00 0.00 C ATOM 234 O GLY A 12 -0.031 -15.594 -2.381 1.00 0.00 O ATOM 0 H GLY A 12 0.354 -16.628 1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.355 -17.636 -0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.396 -17.655 -0.887 1.00 0.00 H new ATOM 238 N GLN A 13 -1.221 -14.687 -0.694 1.00 0.00 N ATOM 239 CA GLN A 13 -1.432 -13.364 -1.356 1.00 0.00 C ATOM 240 C GLN A 13 -1.323 -12.187 -0.330 1.00 0.00 C ATOM 241 O GLN A 13 -2.128 -12.105 0.606 1.00 0.00 O ATOM 242 CB GLN A 13 -2.839 -13.318 -2.026 1.00 0.00 C ATOM 243 CG GLN A 13 -3.059 -14.235 -3.258 1.00 0.00 C ATOM 244 CD GLN A 13 -4.466 -14.128 -3.857 1.00 0.00 C ATOM 245 OE1 GLN A 13 -5.462 -14.529 -3.264 1.00 0.00 O ATOM 246 NE2 GLN A 13 -4.603 -13.594 -5.046 1.00 0.00 N ATOM 0 H GLN A 13 -1.627 -14.745 0.240 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.653 -13.247 -2.109 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.582 -13.578 -1.272 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.038 -12.290 -2.328 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.326 -13.982 -4.024 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.874 -15.269 -2.969 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.784 -13.256 -5.551 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.529 -13.516 -5.466 1.00 0.00 H new ATOM 255 N GLU A 14 -0.417 -11.211 -0.552 1.00 0.00 N ATOM 256 CA GLU A 14 -0.502 -9.882 0.131 1.00 0.00 C ATOM 257 C GLU A 14 -1.436 -8.933 -0.687 1.00 0.00 C ATOM 258 O GLU A 14 -1.045 -8.370 -1.715 1.00 0.00 O ATOM 259 CB GLU A 14 0.890 -9.248 0.414 1.00 0.00 C ATOM 260 CG GLU A 14 1.786 -10.034 1.410 1.00 0.00 C ATOM 261 CD GLU A 14 2.777 -9.209 2.222 1.00 0.00 C ATOM 262 OE1 GLU A 14 3.884 -8.927 1.723 1.00 0.00 O ATOM 263 OE2 GLU A 14 2.466 -8.867 3.384 1.00 0.00 O ATOM 0 H GLU A 14 0.375 -11.306 -1.188 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.939 -10.039 1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.425 -9.149 -0.531 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.740 -8.241 0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.138 -10.570 2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.344 -10.784 0.850 1.00 0.00 H new ATOM 270 N ILE A 15 -2.693 -8.775 -0.233 1.00 0.00 N ATOM 271 CA ILE A 15 -3.698 -7.894 -0.904 1.00 0.00 C ATOM 272 C ILE A 15 -3.482 -6.444 -0.360 1.00 0.00 C ATOM 273 O ILE A 15 -3.910 -6.109 0.750 1.00 0.00 O ATOM 274 CB ILE A 15 -5.152 -8.467 -0.715 1.00 0.00 C ATOM 275 CG1 ILE A 15 -5.370 -9.930 -1.214 1.00 0.00 C ATOM 276 CG2 ILE A 15 -6.255 -7.557 -1.314 1.00 0.00 C ATOM 277 CD1 ILE A 15 -5.138 -10.200 -2.713 1.00 0.00 C ATOM 0 H ILE A 15 -3.049 -9.244 0.600 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.564 -7.864 -1.985 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.247 -8.485 0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.708 -10.584 -0.646 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.392 -10.222 -0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.232 -8.012 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.223 -6.580 -0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.087 -7.438 -2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.323 -11.253 -2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.818 -9.585 -3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.108 -9.953 -2.972 1.00 0.00 H new ATOM 289 N GLU A 16 -2.748 -5.615 -1.121 1.00 0.00 N ATOM 290 CA GLU A 16 -2.102 -4.394 -0.572 1.00 0.00 C ATOM 291 C GLU A 16 -2.546 -3.047 -1.216 1.00 0.00 C ATOM 292 O GLU A 16 -2.835 -2.968 -2.415 1.00 0.00 O ATOM 293 CB GLU A 16 -0.570 -4.604 -0.598 1.00 0.00 C ATOM 294 CG GLU A 16 0.169 -4.732 -1.957 1.00 0.00 C ATOM 295 CD GLU A 16 1.674 -4.579 -1.822 1.00 0.00 C ATOM 296 OE1 GLU A 16 2.312 -5.370 -1.092 1.00 0.00 O ATOM 297 OE2 GLU A 16 2.235 -3.604 -2.355 1.00 0.00 O ATOM 0 H GLU A 16 -2.583 -5.761 -2.117 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.450 -4.275 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.119 -3.770 -0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.356 -5.506 -0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.055 -5.703 -2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.209 -3.975 -2.644 1.00 0.00 H new ATOM 304 N ILE A 17 -2.573 -1.978 -0.395 1.00 0.00 N ATOM 305 CA ILE A 17 -2.944 -0.602 -0.858 1.00 0.00 C ATOM 306 C ILE A 17 -2.136 0.503 -0.092 1.00 0.00 C ATOM 307 O ILE A 17 -2.050 0.492 1.141 1.00 0.00 O ATOM 308 CB ILE A 17 -4.491 -0.285 -0.822 1.00 0.00 C ATOM 309 CG1 ILE A 17 -5.187 -0.405 0.568 1.00 0.00 C ATOM 310 CG2 ILE A 17 -5.295 -1.079 -1.881 1.00 0.00 C ATOM 311 CD1 ILE A 17 -6.422 0.504 0.735 1.00 0.00 C ATOM 0 H ILE A 17 -2.343 -2.029 0.597 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.666 -0.585 -1.912 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.510 0.776 -1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.488 -1.441 0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.463 -0.163 1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.351 -0.819 -1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.929 -0.830 -2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.172 -2.148 -1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.848 0.361 1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.126 1.546 0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.166 0.248 -0.019 1.00 0.00 H new ATOM 323 N ASP A 18 -1.624 1.506 -0.828 1.00 0.00 N ATOM 324 CA ASP A 18 -1.162 2.803 -0.260 1.00 0.00 C ATOM 325 C ASP A 18 -2.223 3.919 -0.535 1.00 0.00 C ATOM 326 O ASP A 18 -2.491 4.265 -1.691 1.00 0.00 O ATOM 327 CB ASP A 18 0.267 3.130 -0.779 1.00 0.00 C ATOM 328 CG ASP A 18 0.471 3.379 -2.280 1.00 0.00 C ATOM 329 OD1 ASP A 18 0.281 2.434 -3.079 1.00 0.00 O ATOM 330 OD2 ASP A 18 0.841 4.512 -2.659 1.00 0.00 O ATOM 0 H ASP A 18 -1.515 1.447 -1.840 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.077 2.739 0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.616 4.015 -0.247 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.919 2.306 -0.490 1.00 0.00 H new ATOM 335 N ILE A 19 -2.852 4.480 0.517 1.00 0.00 N ATOM 336 CA ILE A 19 -3.793 5.639 0.361 1.00 0.00 C ATOM 337 C ILE A 19 -3.375 6.786 1.337 1.00 0.00 C ATOM 338 O ILE A 19 -3.283 6.597 2.556 1.00 0.00 O ATOM 339 CB ILE A 19 -5.320 5.271 0.400 1.00 0.00 C ATOM 340 CG1 ILE A 19 -5.858 4.700 1.748 1.00 0.00 C ATOM 341 CG2 ILE A 19 -5.738 4.354 -0.777 1.00 0.00 C ATOM 342 CD1 ILE A 19 -6.729 5.699 2.530 1.00 0.00 C ATOM 0 H ILE A 19 -2.736 4.163 1.480 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.688 6.008 -0.659 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.800 6.244 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.441 3.801 1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.014 4.400 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.802 4.130 -0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.539 4.860 -1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.168 3.426 -0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.070 5.237 3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.143 6.589 2.762 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.592 5.980 1.926 1.00 0.00 H new ATOM 354 N ARG A 20 -3.090 7.982 0.784 1.00 0.00 N ATOM 355 CA ARG A 20 -2.423 9.086 1.530 1.00 0.00 C ATOM 356 C ARG A 20 -3.172 10.442 1.382 1.00 0.00 C ATOM 357 O ARG A 20 -3.344 10.968 0.279 1.00 0.00 O ATOM 358 CB ARG A 20 -0.906 9.124 1.195 1.00 0.00 C ATOM 359 CG ARG A 20 -0.468 9.409 -0.265 1.00 0.00 C ATOM 360 CD ARG A 20 1.016 9.083 -0.544 1.00 0.00 C ATOM 361 NE ARG A 20 1.963 10.077 0.045 1.00 0.00 N ATOM 362 CZ ARG A 20 3.104 9.781 0.676 1.00 0.00 C ATOM 363 NH1 ARG A 20 3.398 8.612 1.192 1.00 0.00 N ATOM 364 NH2 ARG A 20 3.988 10.727 0.805 1.00 0.00 N ATOM 0 H ARG A 20 -3.311 8.216 -0.184 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.485 8.882 2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.447 9.881 1.831 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.480 8.164 1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.092 8.826 -0.942 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.648 10.460 -0.490 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.244 8.095 -0.145 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.174 9.036 -1.622 1.00 0.00 H new ATOM 0 HE ARG A 20 1.719 11.064 -0.041 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.730 7.844 1.127 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.294 8.471 1.658 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.798 11.657 0.431 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.871 10.539 1.281 1.00 0.00 H new ATOM 378 N VAL A 21 -3.656 10.974 2.519 1.00 0.00 N ATOM 379 CA VAL A 21 -4.650 12.091 2.555 1.00 0.00 C ATOM 380 C VAL A 21 -4.248 13.178 3.619 1.00 0.00 C ATOM 381 O VAL A 21 -3.267 13.062 4.368 1.00 0.00 O ATOM 382 CB VAL A 21 -6.122 11.536 2.710 1.00 0.00 C ATOM 383 CG1 VAL A 21 -6.605 10.681 1.515 1.00 0.00 C ATOM 384 CG2 VAL A 21 -6.404 10.763 4.021 1.00 0.00 C ATOM 0 H VAL A 21 -3.376 10.650 3.445 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.636 12.611 1.597 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.698 12.461 2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.623 10.339 1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.584 11.282 0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.949 9.819 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.440 10.425 4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.741 9.900 4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.230 11.418 4.874 1.00 0.00 H new ATOM 394 N SER A 22 -4.991 14.300 3.668 1.00 0.00 N ATOM 395 CA SER A 22 -4.855 15.334 4.741 1.00 0.00 C ATOM 396 C SER A 22 -6.227 16.056 4.916 1.00 0.00 C ATOM 397 O SER A 22 -6.536 17.021 4.214 1.00 0.00 O ATOM 398 CB SER A 22 -3.679 16.291 4.424 1.00 0.00 C ATOM 399 OG SER A 22 -2.447 15.572 4.452 1.00 0.00 O ATOM 0 H SER A 22 -5.703 14.525 2.973 1.00 0.00 H new ATOM 0 HA SER A 22 -4.606 14.874 5.697 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.823 16.746 3.444 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.653 17.103 5.151 1.00 0.00 H new ATOM 0 HG SER A 22 -2.605 14.666 4.789 1.00 0.00 H new ATOM 405 N THR A 23 -7.094 15.511 5.791 1.00 0.00 N ATOM 406 CA THR A 23 -8.574 15.773 5.750 1.00 0.00 C ATOM 407 C THR A 23 -9.310 15.289 7.044 1.00 0.00 C ATOM 408 O THR A 23 -10.049 16.069 7.653 1.00 0.00 O ATOM 409 CB THR A 23 -9.245 15.252 4.426 1.00 0.00 C ATOM 410 OG1 THR A 23 -10.651 15.500 4.414 1.00 0.00 O ATOM 411 CG2 THR A 23 -9.060 13.765 4.103 1.00 0.00 C ATOM 0 H THR A 23 -6.809 14.883 6.542 1.00 0.00 H new ATOM 0 HA THR A 23 -8.691 16.857 5.734 1.00 0.00 H new ATOM 0 HB THR A 23 -8.710 15.821 3.665 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.007 15.323 3.518 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.568 13.530 3.168 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.997 13.544 4.004 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.483 13.163 4.907 1.00 0.00 H new ATOM 419 N GLY A 24 -9.165 14.007 7.440 1.00 0.00 N ATOM 420 CA GLY A 24 -10.057 13.373 8.449 1.00 0.00 C ATOM 421 C GLY A 24 -11.197 12.545 7.822 1.00 0.00 C ATOM 422 O GLY A 24 -11.182 11.317 7.912 1.00 0.00 O ATOM 0 H GLY A 24 -8.440 13.386 7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.462 12.728 9.095 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.487 14.149 9.082 1.00 0.00 H new ATOM 426 N LYS A 25 -12.174 13.200 7.174 1.00 0.00 N ATOM 427 CA LYS A 25 -13.403 12.521 6.659 1.00 0.00 C ATOM 428 C LYS A 25 -13.211 11.471 5.514 1.00 0.00 C ATOM 429 O LYS A 25 -13.888 10.441 5.540 1.00 0.00 O ATOM 430 CB LYS A 25 -14.485 13.583 6.319 1.00 0.00 C ATOM 431 CG LYS A 25 -15.084 14.300 7.556 1.00 0.00 C ATOM 432 CD LYS A 25 -16.088 15.404 7.175 1.00 0.00 C ATOM 433 CE LYS A 25 -16.700 16.073 8.420 1.00 0.00 C ATOM 434 NZ LYS A 25 -17.648 17.147 8.011 1.00 0.00 N ATOM 0 H LYS A 25 -12.148 14.202 6.987 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.739 11.888 7.480 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.049 14.330 5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.291 13.100 5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.581 13.566 8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.277 14.736 8.144 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -15.587 16.157 6.567 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -16.883 14.977 6.563 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -17.220 15.329 9.024 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.910 16.493 9.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -18.055 17.592 8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -17.141 17.864 7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -18.411 16.736 7.435 1.00 0.00 H new ATOM 448 N GLU A 26 -12.347 11.668 4.502 1.00 0.00 N ATOM 449 CA GLU A 26 -11.969 10.589 3.528 1.00 0.00 C ATOM 450 C GLU A 26 -11.224 9.359 4.166 1.00 0.00 C ATOM 451 O GLU A 26 -11.506 8.216 3.794 1.00 0.00 O ATOM 452 CB GLU A 26 -11.158 11.198 2.347 1.00 0.00 C ATOM 453 CG GLU A 26 -11.871 12.197 1.386 1.00 0.00 C ATOM 454 CD GLU A 26 -12.505 13.456 1.977 1.00 0.00 C ATOM 455 OE1 GLU A 26 -11.818 14.210 2.705 1.00 0.00 O ATOM 456 OE2 GLU A 26 -13.718 13.663 1.754 1.00 0.00 O ATOM 0 H GLU A 26 -11.888 12.561 4.324 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.906 10.175 3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.291 11.707 2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.781 10.372 1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.144 12.513 0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.652 11.649 0.859 1.00 0.00 H new ATOM 463 N LEU A 27 -10.340 9.582 5.166 1.00 0.00 N ATOM 464 CA LEU A 27 -9.870 8.510 6.088 1.00 0.00 C ATOM 465 C LEU A 27 -11.004 7.774 6.889 1.00 0.00 C ATOM 466 O LEU A 27 -10.968 6.547 6.935 1.00 0.00 O ATOM 467 CB LEU A 27 -8.770 9.112 7.010 1.00 0.00 C ATOM 468 CG LEU A 27 -7.899 8.080 7.775 1.00 0.00 C ATOM 469 CD1 LEU A 27 -6.844 7.432 6.860 1.00 0.00 C ATOM 470 CD2 LEU A 27 -7.211 8.742 8.980 1.00 0.00 C ATOM 0 H LEU A 27 -9.934 10.497 5.359 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.454 7.707 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.114 9.736 6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.249 9.767 7.738 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.565 7.293 8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.255 6.716 7.434 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.342 6.917 6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.187 8.204 6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.605 8.003 9.504 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.573 9.555 8.633 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.967 9.138 9.658 1.00 0.00 H new ATOM 482 N GLU A 28 -12.017 8.468 7.458 1.00 0.00 N ATOM 483 CA GLU A 28 -13.238 7.821 8.043 1.00 0.00 C ATOM 484 C GLU A 28 -14.014 6.845 7.082 1.00 0.00 C ATOM 485 O GLU A 28 -14.313 5.714 7.478 1.00 0.00 O ATOM 486 CB GLU A 28 -14.200 8.901 8.622 1.00 0.00 C ATOM 487 CG GLU A 28 -13.687 9.720 9.836 1.00 0.00 C ATOM 488 CD GLU A 28 -14.641 10.823 10.276 1.00 0.00 C ATOM 489 OE1 GLU A 28 -15.612 10.524 11.000 1.00 0.00 O ATOM 490 OE2 GLU A 28 -14.418 11.995 9.905 1.00 0.00 O ATOM 0 H GLU A 28 -12.022 9.485 7.530 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.861 7.181 8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.447 9.599 7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -15.128 8.408 8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.516 9.044 10.674 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.724 10.164 9.583 1.00 0.00 H new ATOM 497 N ARG A 29 -14.286 7.245 5.821 1.00 0.00 N ATOM 498 CA ARG A 29 -14.776 6.308 4.760 1.00 0.00 C ATOM 499 C ARG A 29 -13.806 5.120 4.419 1.00 0.00 C ATOM 500 O ARG A 29 -14.260 3.974 4.400 1.00 0.00 O ATOM 501 CB ARG A 29 -15.184 7.104 3.484 1.00 0.00 C ATOM 502 CG ARG A 29 -16.637 7.653 3.416 1.00 0.00 C ATOM 503 CD ARG A 29 -17.020 8.830 4.342 1.00 0.00 C ATOM 504 NE ARG A 29 -16.197 10.042 4.091 1.00 0.00 N ATOM 505 CZ ARG A 29 -16.351 10.936 3.120 1.00 0.00 C ATOM 506 NH1 ARG A 29 -17.351 10.959 2.277 1.00 0.00 N ATOM 507 NH2 ARG A 29 -15.422 11.832 3.019 1.00 0.00 N ATOM 0 H ARG A 29 -14.178 8.208 5.503 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.654 5.819 5.181 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -14.501 7.947 3.380 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.027 6.458 2.620 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -16.828 7.963 2.388 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -17.315 6.827 3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -18.073 9.073 4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.902 8.524 5.381 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.426 10.206 4.738 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -18.086 10.255 2.339 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.396 11.681 1.558 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.632 11.822 3.664 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.480 12.547 2.294 1.00 0.00 H new ATOM 521 N ALA A 30 -12.500 5.362 4.173 1.00 0.00 N ATOM 522 CA ALA A 30 -11.495 4.271 4.018 1.00 0.00 C ATOM 523 C ALA A 30 -11.322 3.302 5.240 1.00 0.00 C ATOM 524 O ALA A 30 -11.347 2.086 5.053 1.00 0.00 O ATOM 525 CB ALA A 30 -10.171 4.936 3.599 1.00 0.00 C ATOM 0 H ALA A 30 -12.111 6.300 4.076 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.866 3.588 3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.404 4.172 3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.312 5.466 2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.858 5.641 4.369 1.00 0.00 H new ATOM 531 N LEU A 31 -11.211 3.823 6.477 1.00 0.00 N ATOM 532 CA LEU A 31 -11.326 3.038 7.742 1.00 0.00 C ATOM 533 C LEU A 31 -12.611 2.148 7.878 1.00 0.00 C ATOM 534 O LEU A 31 -12.487 0.949 8.138 1.00 0.00 O ATOM 535 CB LEU A 31 -11.128 4.067 8.891 1.00 0.00 C ATOM 536 CG LEU A 31 -11.063 3.491 10.336 1.00 0.00 C ATOM 537 CD1 LEU A 31 -9.892 4.102 11.122 1.00 0.00 C ATOM 538 CD2 LEU A 31 -12.380 3.732 11.097 1.00 0.00 C ATOM 0 H LEU A 31 -11.036 4.815 6.638 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.559 2.264 7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.206 4.617 8.701 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.944 4.788 8.848 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.906 2.416 10.246 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.870 3.682 12.128 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.955 3.875 10.614 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.019 5.183 11.183 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.301 3.318 12.102 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.573 4.803 11.160 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.200 3.246 10.568 1.00 0.00 H new ATOM 550 N GLN A 32 -13.817 2.709 7.666 1.00 0.00 N ATOM 551 CA GLN A 32 -15.090 1.934 7.628 1.00 0.00 C ATOM 552 C GLN A 32 -15.228 0.880 6.469 1.00 0.00 C ATOM 553 O GLN A 32 -15.730 -0.222 6.710 1.00 0.00 O ATOM 554 CB GLN A 32 -16.219 2.998 7.649 1.00 0.00 C ATOM 555 CG GLN A 32 -17.641 2.431 7.874 1.00 0.00 C ATOM 556 CD GLN A 32 -18.731 3.502 7.964 1.00 0.00 C ATOM 557 OE1 GLN A 32 -19.312 3.931 6.973 1.00 0.00 O ATOM 558 NE2 GLN A 32 -19.049 3.967 9.149 1.00 0.00 N ATOM 0 H GLN A 32 -13.945 3.710 7.516 1.00 0.00 H new ATOM 0 HA GLN A 32 -15.138 1.271 8.492 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -16.003 3.721 8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -16.205 3.541 6.704 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -17.882 1.749 7.059 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -17.646 1.844 8.792 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -18.571 3.616 9.979 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -19.774 4.679 9.240 1.00 0.00 H new ATOM 567 N GLU A 33 -14.768 1.170 5.235 1.00 0.00 N ATOM 568 CA GLU A 33 -14.594 0.127 4.182 1.00 0.00 C ATOM 569 C GLU A 33 -13.528 -0.972 4.514 1.00 0.00 C ATOM 570 O GLU A 33 -13.844 -2.157 4.396 1.00 0.00 O ATOM 571 CB GLU A 33 -14.372 0.811 2.805 1.00 0.00 C ATOM 572 CG GLU A 33 -14.379 -0.140 1.572 1.00 0.00 C ATOM 573 CD GLU A 33 -15.632 -0.990 1.386 1.00 0.00 C ATOM 574 OE1 GLU A 33 -16.749 -0.430 1.331 1.00 0.00 O ATOM 575 OE2 GLU A 33 -15.527 -2.230 1.302 1.00 0.00 O ATOM 0 H GLU A 33 -14.509 2.110 4.936 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.520 -0.447 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.147 1.564 2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.417 1.337 2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.236 0.461 0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.520 -0.807 1.649 1.00 0.00 H new ATOM 582 N LEU A 34 -12.310 -0.618 4.973 1.00 0.00 N ATOM 583 CA LEU A 34 -11.320 -1.598 5.516 1.00 0.00 C ATOM 584 C LEU A 34 -11.839 -2.517 6.668 1.00 0.00 C ATOM 585 O LEU A 34 -11.666 -3.734 6.571 1.00 0.00 O ATOM 586 CB LEU A 34 -10.018 -0.852 5.929 1.00 0.00 C ATOM 587 CG LEU A 34 -9.122 -0.334 4.770 1.00 0.00 C ATOM 588 CD1 LEU A 34 -8.112 0.695 5.299 1.00 0.00 C ATOM 589 CD2 LEU A 34 -8.372 -1.477 4.060 1.00 0.00 C ATOM 0 H LEU A 34 -11.977 0.346 4.982 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.119 -2.294 4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.294 -0.002 6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.422 -1.522 6.548 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.781 0.136 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.490 1.050 4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.647 1.537 5.739 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.481 0.230 6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.759 -1.067 3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.734 -1.994 4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.092 -2.181 3.643 1.00 0.00 H new ATOM 601 N GLU A 35 -12.513 -1.985 7.708 1.00 0.00 N ATOM 602 CA GLU A 35 -13.222 -2.818 8.730 1.00 0.00 C ATOM 603 C GLU A 35 -14.290 -3.827 8.160 1.00 0.00 C ATOM 604 O GLU A 35 -14.254 -5.019 8.477 1.00 0.00 O ATOM 605 CB GLU A 35 -13.696 -1.893 9.896 1.00 0.00 C ATOM 606 CG GLU A 35 -15.166 -1.396 9.918 1.00 0.00 C ATOM 607 CD GLU A 35 -15.530 -0.386 10.992 1.00 0.00 C ATOM 608 OE1 GLU A 35 -14.895 -0.342 12.068 1.00 0.00 O ATOM 609 OE2 GLU A 35 -16.516 0.354 10.804 1.00 0.00 O ATOM 0 H GLU A 35 -12.588 -0.981 7.872 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.511 -3.531 9.148 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.515 -2.424 10.830 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.052 -1.013 9.900 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.390 -0.955 8.947 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.816 -2.263 10.032 1.00 0.00 H new ATOM 616 N LYS A 36 -15.183 -3.353 7.268 1.00 0.00 N ATOM 617 CA LYS A 36 -16.141 -4.203 6.508 1.00 0.00 C ATOM 618 C LYS A 36 -15.481 -5.261 5.551 1.00 0.00 C ATOM 619 O LYS A 36 -15.789 -6.450 5.659 1.00 0.00 O ATOM 620 CB LYS A 36 -17.087 -3.214 5.767 1.00 0.00 C ATOM 621 CG LYS A 36 -18.381 -3.827 5.173 1.00 0.00 C ATOM 622 CD LYS A 36 -18.986 -2.951 4.050 1.00 0.00 C ATOM 623 CE LYS A 36 -18.335 -3.218 2.677 1.00 0.00 C ATOM 624 NZ LYS A 36 -18.671 -2.139 1.710 1.00 0.00 N ATOM 0 H LYS A 36 -15.266 -2.360 7.048 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.688 -4.844 7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.369 -2.423 6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.527 -2.744 4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -18.162 -4.819 4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.117 -3.955 5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -20.057 -3.140 3.983 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -18.863 -1.899 4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.253 -3.286 2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -18.676 -4.178 2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -18.558 -2.495 0.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -19.655 -1.836 1.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.035 -1.330 1.858 1.00 0.00 H new ATOM 638 N ALA A 37 -14.587 -4.841 4.634 1.00 0.00 N ATOM 639 CA ALA A 37 -13.838 -5.752 3.727 1.00 0.00 C ATOM 640 C ALA A 37 -12.823 -6.752 4.374 1.00 0.00 C ATOM 641 O ALA A 37 -12.656 -7.849 3.840 1.00 0.00 O ATOM 642 CB ALA A 37 -13.161 -4.840 2.687 1.00 0.00 C ATOM 0 H ALA A 37 -14.359 -3.856 4.496 1.00 0.00 H new ATOM 0 HA ALA A 37 -14.559 -6.449 3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.591 -5.449 1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.922 -4.279 2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.490 -4.146 3.193 1.00 0.00 H new ATOM 648 N LEU A 38 -12.169 -6.423 5.507 1.00 0.00 N ATOM 649 CA LEU A 38 -11.414 -7.409 6.329 1.00 0.00 C ATOM 650 C LEU A 38 -12.336 -8.445 7.067 1.00 0.00 C ATOM 651 O LEU A 38 -12.135 -9.654 6.898 1.00 0.00 O ATOM 652 CB LEU A 38 -10.483 -6.603 7.287 1.00 0.00 C ATOM 653 CG LEU A 38 -9.171 -7.251 7.795 1.00 0.00 C ATOM 654 CD1 LEU A 38 -9.343 -8.645 8.421 1.00 0.00 C ATOM 655 CD2 LEU A 38 -8.090 -7.281 6.702 1.00 0.00 C ATOM 0 H LEU A 38 -12.145 -5.475 5.881 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.808 -8.042 5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.215 -5.676 6.780 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -11.072 -6.329 8.162 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.843 -6.600 8.605 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.373 -9.019 8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.014 -8.579 9.278 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.765 -9.326 7.682 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.185 -7.743 7.098 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.450 -7.858 5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.868 -6.263 6.382 1.00 0.00 H new ATOM 667 N ALA A 39 -13.339 -7.989 7.853 1.00 0.00 N ATOM 668 CA ALA A 39 -14.310 -8.883 8.546 1.00 0.00 C ATOM 669 C ALA A 39 -15.182 -9.797 7.627 1.00 0.00 C ATOM 670 O ALA A 39 -15.200 -11.013 7.836 1.00 0.00 O ATOM 671 CB ALA A 39 -15.168 -7.993 9.467 1.00 0.00 C ATOM 0 H ALA A 39 -13.502 -6.997 8.027 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.735 -9.617 9.111 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -15.895 -8.610 9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -14.525 -7.491 10.190 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -15.692 -7.248 8.868 1.00 0.00 H new ATOM 677 N ARG A 40 -15.843 -9.258 6.580 1.00 0.00 N ATOM 678 CA ARG A 40 -16.519 -10.091 5.539 1.00 0.00 C ATOM 679 C ARG A 40 -15.509 -10.644 4.459 1.00 0.00 C ATOM 680 O ARG A 40 -15.610 -10.364 3.258 1.00 0.00 O ATOM 681 CB ARG A 40 -17.684 -9.213 4.996 1.00 0.00 C ATOM 682 CG ARG A 40 -18.688 -9.924 4.040 1.00 0.00 C ATOM 683 CD ARG A 40 -18.955 -9.192 2.706 1.00 0.00 C ATOM 684 NE ARG A 40 -17.704 -9.208 1.900 1.00 0.00 N ATOM 685 CZ ARG A 40 -17.525 -8.658 0.706 1.00 0.00 C ATOM 686 NH1 ARG A 40 -18.480 -8.072 0.029 1.00 0.00 N ATOM 687 NH2 ARG A 40 -16.334 -8.712 0.190 1.00 0.00 N ATOM 0 H ARG A 40 -15.928 -8.253 6.426 1.00 0.00 H new ATOM 0 HA ARG A 40 -16.931 -11.016 5.943 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -18.240 -8.817 5.846 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.255 -8.360 4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.310 -10.922 3.819 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.636 -10.050 4.563 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.763 -9.680 2.161 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.272 -8.166 2.894 1.00 0.00 H new ATOM 0 HE ARG A 40 -16.903 -9.691 2.307 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.422 -8.021 0.416 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -18.282 -7.666 -0.886 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.577 -9.166 0.701 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.156 -8.301 -0.726 1.00 0.00 H new ATOM 701 N ALA A 41 -14.533 -11.451 4.918 1.00 0.00 N ATOM 702 CA ALA A 41 -13.431 -12.021 4.093 1.00 0.00 C ATOM 703 C ALA A 41 -12.531 -13.003 4.914 1.00 0.00 C ATOM 704 O ALA A 41 -12.342 -14.141 4.481 1.00 0.00 O ATOM 705 CB ALA A 41 -12.553 -10.936 3.426 1.00 0.00 C ATOM 0 H ALA A 41 -14.481 -11.736 5.896 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.925 -12.581 3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.768 -11.413 2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.170 -10.319 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.101 -10.310 4.195 1.00 0.00 H new ATOM 711 N GLY A 42 -11.931 -12.567 6.045 1.00 0.00 N ATOM 712 CA GLY A 42 -11.099 -13.450 6.910 1.00 0.00 C ATOM 713 C GLY A 42 -9.590 -13.451 6.597 1.00 0.00 C ATOM 714 O GLY A 42 -9.075 -14.421 6.039 1.00 0.00 O ATOM 0 H GLY A 42 -12.005 -11.608 6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.237 -13.148 7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.471 -14.471 6.823 1.00 0.00 H new ATOM 718 N ALA A 43 -8.876 -12.375 6.961 1.00 0.00 N ATOM 719 CA ALA A 43 -7.393 -12.316 6.842 1.00 0.00 C ATOM 720 C ALA A 43 -6.650 -12.751 8.146 1.00 0.00 C ATOM 721 O ALA A 43 -6.937 -12.259 9.240 1.00 0.00 O ATOM 722 CB ALA A 43 -7.012 -10.882 6.447 1.00 0.00 C ATOM 0 H ALA A 43 -9.294 -11.526 7.342 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.077 -13.029 6.081 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.929 -10.806 6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.478 -10.631 5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.358 -10.189 7.214 1.00 0.00 H new ATOM 728 N ARG A 44 -5.665 -13.654 8.009 1.00 0.00 N ATOM 729 CA ARG A 44 -4.837 -14.140 9.154 1.00 0.00 C ATOM 730 C ARG A 44 -3.686 -13.197 9.639 1.00 0.00 C ATOM 731 O ARG A 44 -3.495 -13.069 10.852 1.00 0.00 O ATOM 732 CB ARG A 44 -4.324 -15.564 8.798 1.00 0.00 C ATOM 733 CG ARG A 44 -5.317 -16.715 9.127 1.00 0.00 C ATOM 734 CD ARG A 44 -5.158 -18.004 8.288 1.00 0.00 C ATOM 735 NE ARG A 44 -3.755 -18.493 8.173 1.00 0.00 N ATOM 736 CZ ARG A 44 -3.147 -19.370 8.965 1.00 0.00 C ATOM 737 NH1 ARG A 44 -3.706 -19.897 10.024 1.00 0.00 N ATOM 738 NH2 ARG A 44 -1.932 -19.720 8.668 1.00 0.00 N ATOM 0 H ARG A 44 -5.412 -14.072 7.114 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.489 -14.155 10.028 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.092 -15.596 7.733 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.391 -15.743 9.333 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.207 -16.974 10.180 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.333 -16.342 8.995 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.769 -18.790 8.732 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.550 -17.823 7.287 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.202 -18.114 7.404 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.659 -19.639 10.279 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.189 -20.566 10.594 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.473 -19.324 7.848 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.437 -20.391 9.255 1.00 0.00 H new ATOM 752 N ASN A 45 -2.908 -12.580 8.731 1.00 0.00 N ATOM 753 CA ASN A 45 -1.816 -11.631 9.094 1.00 0.00 C ATOM 754 C ASN A 45 -2.142 -10.222 8.496 1.00 0.00 C ATOM 755 O ASN A 45 -2.523 -10.127 7.327 1.00 0.00 O ATOM 756 CB ASN A 45 -0.449 -12.167 8.590 1.00 0.00 C ATOM 757 CG ASN A 45 0.013 -13.517 9.153 1.00 0.00 C ATOM 758 OD1 ASN A 45 0.509 -13.616 10.267 1.00 0.00 O ATOM 759 ND2 ASN A 45 -0.126 -14.590 8.409 1.00 0.00 N ATOM 0 H ASN A 45 -3.010 -12.718 7.726 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.748 -11.538 10.178 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.496 -12.249 7.504 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.314 -11.423 8.821 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.179 -15.498 8.761 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.539 -14.516 7.479 1.00 0.00 H new ATOM 766 N VAL A 46 -2.024 -9.117 9.264 1.00 0.00 N ATOM 767 CA VAL A 46 -2.410 -7.756 8.748 1.00 0.00 C ATOM 768 C VAL A 46 -1.363 -6.684 9.205 1.00 0.00 C ATOM 769 O VAL A 46 -1.342 -6.303 10.378 1.00 0.00 O ATOM 770 CB VAL A 46 -3.883 -7.337 9.124 1.00 0.00 C ATOM 771 CG1 VAL A 46 -4.368 -6.112 8.313 1.00 0.00 C ATOM 772 CG2 VAL A 46 -4.975 -8.424 8.967 1.00 0.00 C ATOM 0 H VAL A 46 -1.675 -9.122 10.222 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.398 -7.814 7.660 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.779 -7.121 10.187 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.387 -5.861 8.607 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.714 -5.263 8.511 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.345 -6.348 7.249 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.942 -8.013 9.256 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.016 -8.751 7.928 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.737 -9.274 9.606 1.00 0.00 H new ATOM 782 N GLN A 47 -0.546 -6.147 8.276 1.00 0.00 N ATOM 783 CA GLN A 47 0.322 -4.960 8.547 1.00 0.00 C ATOM 784 C GLN A 47 -0.453 -3.638 8.229 1.00 0.00 C ATOM 785 O GLN A 47 -0.689 -3.330 7.055 1.00 0.00 O ATOM 786 CB GLN A 47 1.610 -5.038 7.678 1.00 0.00 C ATOM 787 CG GLN A 47 2.644 -6.133 8.040 1.00 0.00 C ATOM 788 CD GLN A 47 3.858 -6.146 7.101 1.00 0.00 C ATOM 789 OE1 GLN A 47 4.800 -5.373 7.254 1.00 0.00 O ATOM 790 NE2 GLN A 47 3.880 -6.988 6.092 1.00 0.00 N ATOM 0 H GLN A 47 -0.462 -6.510 7.327 1.00 0.00 H new ATOM 0 HA GLN A 47 0.599 -4.961 9.601 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.309 -5.187 6.641 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.111 -4.071 7.729 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.985 -5.978 9.064 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.158 -7.108 8.010 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.105 -7.636 5.952 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.672 -6.993 5.449 1.00 0.00 H new ATOM 799 N ILE A 48 -0.819 -2.847 9.256 1.00 0.00 N ATOM 800 CA ILE A 48 -1.402 -1.480 9.060 1.00 0.00 C ATOM 801 C ILE A 48 -0.293 -0.448 9.444 1.00 0.00 C ATOM 802 O ILE A 48 0.026 -0.305 10.629 1.00 0.00 O ATOM 803 CB ILE A 48 -2.726 -1.263 9.886 1.00 0.00 C ATOM 804 CG1 ILE A 48 -3.856 -2.284 9.553 1.00 0.00 C ATOM 805 CG2 ILE A 48 -3.284 0.177 9.703 1.00 0.00 C ATOM 806 CD1 ILE A 48 -4.980 -2.378 10.600 1.00 0.00 C ATOM 0 H ILE A 48 -0.726 -3.120 10.235 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.700 -1.349 8.020 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.431 -1.425 10.923 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.296 -2.015 8.593 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.409 -3.271 9.433 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.197 0.290 10.287 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.543 0.900 10.044 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.503 0.351 8.650 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.717 -3.114 10.278 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.560 -2.681 11.559 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.461 -1.406 10.706 1.00 0.00 H new ATOM 818 N THR A 49 0.247 0.297 8.464 1.00 0.00 N ATOM 819 CA THR A 49 1.172 1.439 8.722 1.00 0.00 C ATOM 820 C THR A 49 0.378 2.765 8.605 1.00 0.00 C ATOM 821 O THR A 49 -0.289 2.986 7.593 1.00 0.00 O ATOM 822 CB THR A 49 2.423 1.348 7.783 1.00 0.00 C ATOM 823 OG1 THR A 49 3.430 0.623 8.469 1.00 0.00 O ATOM 824 CG2 THR A 49 3.103 2.663 7.357 1.00 0.00 C ATOM 0 H THR A 49 0.063 0.135 7.474 1.00 0.00 H new ATOM 0 HA THR A 49 1.571 1.401 9.736 1.00 0.00 H new ATOM 0 HB THR A 49 2.025 0.897 6.874 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.817 1.186 9.171 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.952 2.441 6.710 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.388 3.284 6.817 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.451 3.196 8.242 1.00 0.00 H new ATOM 832 N ILE A 50 0.508 3.666 9.595 1.00 0.00 N ATOM 833 CA ILE A 50 -0.014 5.060 9.486 1.00 0.00 C ATOM 834 C ILE A 50 1.091 6.110 9.853 1.00 0.00 C ATOM 835 O ILE A 50 1.697 6.038 10.927 1.00 0.00 O ATOM 836 CB ILE A 50 -1.387 5.214 10.230 1.00 0.00 C ATOM 837 CG1 ILE A 50 -2.183 6.430 9.679 1.00 0.00 C ATOM 838 CG2 ILE A 50 -1.271 5.247 11.774 1.00 0.00 C ATOM 839 CD1 ILE A 50 -3.668 6.483 10.076 1.00 0.00 C ATOM 0 H ILE A 50 0.968 3.464 10.483 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.253 5.281 8.446 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.950 4.306 10.013 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.700 7.345 10.023 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.116 6.424 8.591 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.264 5.355 12.211 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.819 4.319 12.125 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.648 6.090 12.074 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.130 7.369 9.640 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.175 5.591 9.708 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.753 6.526 11.162 1.00 0.00 H new ATOM 851 N SER A 51 1.348 7.100 8.975 1.00 0.00 N ATOM 852 CA SER A 51 2.320 8.196 9.263 1.00 0.00 C ATOM 853 C SER A 51 1.718 9.368 10.100 1.00 0.00 C ATOM 854 O SER A 51 0.593 9.818 9.858 1.00 0.00 O ATOM 855 CB SER A 51 2.933 8.708 7.940 1.00 0.00 C ATOM 856 OG SER A 51 2.000 9.428 7.133 1.00 0.00 O ATOM 0 H SER A 51 0.902 7.171 8.060 1.00 0.00 H new ATOM 0 HA SER A 51 3.103 7.770 9.890 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.783 9.352 8.165 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.317 7.861 7.372 1.00 0.00 H new ATOM 0 HG SER A 51 2.005 10.373 7.392 1.00 0.00 H new ATOM 862 N ALA A 52 2.504 9.878 11.062 1.00 0.00 N ATOM 863 CA ALA A 52 2.094 11.004 11.935 1.00 0.00 C ATOM 864 C ALA A 52 2.918 12.316 11.733 1.00 0.00 C ATOM 865 O ALA A 52 4.099 12.299 11.368 1.00 0.00 O ATOM 866 CB ALA A 52 2.273 10.479 13.372 1.00 0.00 C ATOM 0 H ALA A 52 3.441 9.526 11.261 1.00 0.00 H new ATOM 0 HA ALA A 52 1.071 11.294 11.696 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.989 11.256 14.081 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.641 9.604 13.521 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.316 10.205 13.532 1.00 0.00 H new ATOM 872 N GLU A 53 2.307 13.458 12.101 1.00 0.00 N ATOM 873 CA GLU A 53 3.029 14.761 12.242 1.00 0.00 C ATOM 874 C GLU A 53 4.090 14.830 13.406 1.00 0.00 C ATOM 875 O GLU A 53 5.133 15.472 13.255 1.00 0.00 O ATOM 876 CB GLU A 53 1.981 15.903 12.411 1.00 0.00 C ATOM 877 CG GLU A 53 0.948 16.148 11.274 1.00 0.00 C ATOM 878 CD GLU A 53 1.512 16.579 9.933 1.00 0.00 C ATOM 879 OE1 GLU A 53 1.886 17.759 9.766 1.00 0.00 O ATOM 880 OE2 GLU A 53 1.579 15.744 9.014 1.00 0.00 O ATOM 0 H GLU A 53 1.310 13.516 12.310 1.00 0.00 H new ATOM 0 HA GLU A 53 3.613 14.876 11.329 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.423 15.706 13.326 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.528 16.833 12.565 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.378 15.231 11.126 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.244 16.910 11.610 1.00 0.00 H new ATOM 887 N ASN A 54 3.809 14.217 14.576 1.00 0.00 N ATOM 888 CA ASN A 54 4.711 14.220 15.764 1.00 0.00 C ATOM 889 C ASN A 54 4.584 12.875 16.577 1.00 0.00 C ATOM 890 O ASN A 54 3.737 12.023 16.286 1.00 0.00 O ATOM 891 CB ASN A 54 4.372 15.501 16.591 1.00 0.00 C ATOM 892 CG ASN A 54 5.498 15.981 17.509 1.00 0.00 C ATOM 893 OD1 ASN A 54 5.636 15.553 18.648 1.00 0.00 O ATOM 894 ND2 ASN A 54 6.353 16.852 17.033 1.00 0.00 N ATOM 0 H ASN A 54 2.944 13.700 14.731 1.00 0.00 H new ATOM 0 HA ASN A 54 5.761 14.261 15.475 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.115 16.305 15.902 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.487 15.304 17.196 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.131 17.171 17.611 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.241 17.211 16.085 1.00 0.00 H new ATOM 901 N ASP A 55 5.418 12.687 17.618 1.00 0.00 N ATOM 902 CA ASP A 55 5.349 11.503 18.535 1.00 0.00 C ATOM 903 C ASP A 55 4.005 11.353 19.349 1.00 0.00 C ATOM 904 O ASP A 55 3.418 10.268 19.360 1.00 0.00 O ATOM 905 CB ASP A 55 6.618 11.590 19.430 1.00 0.00 C ATOM 906 CG ASP A 55 6.897 10.362 20.296 1.00 0.00 C ATOM 907 OD1 ASP A 55 7.461 9.377 19.772 1.00 0.00 O ATOM 908 OD2 ASP A 55 6.562 10.383 21.498 1.00 0.00 O ATOM 0 H ASP A 55 6.162 13.343 17.858 1.00 0.00 H new ATOM 0 HA ASP A 55 5.336 10.584 17.948 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.482 11.765 18.789 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.523 12.459 20.082 1.00 0.00 H new ATOM 913 N GLU A 56 3.469 12.430 19.964 1.00 0.00 N ATOM 914 CA GLU A 56 2.096 12.421 20.566 1.00 0.00 C ATOM 915 C GLU A 56 0.915 12.183 19.556 1.00 0.00 C ATOM 916 O GLU A 56 -0.018 11.441 19.872 1.00 0.00 O ATOM 917 CB GLU A 56 1.876 13.701 21.416 1.00 0.00 C ATOM 918 CG GLU A 56 2.727 13.789 22.711 1.00 0.00 C ATOM 919 CD GLU A 56 2.423 15.001 23.577 1.00 0.00 C ATOM 920 OE1 GLU A 56 2.968 16.089 23.299 1.00 0.00 O ATOM 921 OE2 GLU A 56 1.653 14.862 24.550 1.00 0.00 O ATOM 0 H GLU A 56 3.957 13.320 20.062 1.00 0.00 H new ATOM 0 HA GLU A 56 2.066 11.541 21.209 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.095 14.571 20.797 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.822 13.760 21.688 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.566 12.886 23.300 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.782 13.807 22.438 1.00 0.00 H new ATOM 928 N GLN A 57 0.976 12.737 18.329 1.00 0.00 N ATOM 929 CA GLN A 57 0.114 12.286 17.192 1.00 0.00 C ATOM 930 C GLN A 57 0.294 10.790 16.754 1.00 0.00 C ATOM 931 O GLN A 57 -0.706 10.126 16.476 1.00 0.00 O ATOM 932 CB GLN A 57 0.309 13.258 15.992 1.00 0.00 C ATOM 933 CG GLN A 57 -0.309 14.674 16.152 1.00 0.00 C ATOM 934 CD GLN A 57 -1.840 14.722 16.087 1.00 0.00 C ATOM 935 OE1 GLN A 57 -2.539 14.622 17.088 1.00 0.00 O ATOM 936 NE2 GLN A 57 -2.417 14.872 14.917 1.00 0.00 N ATOM 0 H GLN A 57 1.610 13.499 18.089 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.912 12.321 17.557 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.378 13.369 15.811 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.119 12.795 15.103 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.013 15.089 17.107 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.094 15.320 15.372 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.848 14.957 14.075 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.434 14.904 14.850 1.00 0.00 H new ATOM 945 N ALA A 58 1.524 10.238 16.726 1.00 0.00 N ATOM 946 CA ALA A 58 1.762 8.772 16.618 1.00 0.00 C ATOM 947 C ALA A 58 1.144 7.893 17.759 1.00 0.00 C ATOM 948 O ALA A 58 0.517 6.877 17.449 1.00 0.00 O ATOM 949 CB ALA A 58 3.283 8.569 16.474 1.00 0.00 C ATOM 0 H ALA A 58 2.382 10.788 16.777 1.00 0.00 H new ATOM 0 HA ALA A 58 1.225 8.410 15.741 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.502 7.504 16.392 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.635 9.082 15.579 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.789 8.977 17.349 1.00 0.00 H new ATOM 955 N LYS A 59 1.229 8.306 19.045 1.00 0.00 N ATOM 956 CA LYS A 59 0.347 7.782 20.131 1.00 0.00 C ATOM 957 C LYS A 59 -1.190 7.867 19.827 1.00 0.00 C ATOM 958 O LYS A 59 -1.861 6.839 19.918 1.00 0.00 O ATOM 959 CB LYS A 59 0.739 8.461 21.477 1.00 0.00 C ATOM 960 CG LYS A 59 -0.150 8.066 22.686 1.00 0.00 C ATOM 961 CD LYS A 59 0.145 8.836 23.991 1.00 0.00 C ATOM 962 CE LYS A 59 -1.044 8.891 24.978 1.00 0.00 C ATOM 963 NZ LYS A 59 -1.512 7.542 25.407 1.00 0.00 N ATOM 0 H LYS A 59 1.901 9.004 19.364 1.00 0.00 H new ATOM 0 HA LYS A 59 0.523 6.709 20.203 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.774 8.209 21.707 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.695 9.543 21.349 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.194 8.224 22.417 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.027 7.000 22.875 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.995 8.371 24.490 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.441 9.854 23.740 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.752 9.464 25.858 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.872 9.424 24.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.096 7.633 26.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.077 7.112 24.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.690 6.938 25.611 1.00 0.00 H new ATOM 977 N GLU A 60 -1.753 9.042 19.493 1.00 0.00 N ATOM 978 CA GLU A 60 -3.221 9.174 19.233 1.00 0.00 C ATOM 979 C GLU A 60 -3.756 8.435 17.955 1.00 0.00 C ATOM 980 O GLU A 60 -4.855 7.875 17.988 1.00 0.00 O ATOM 981 CB GLU A 60 -3.665 10.658 19.334 1.00 0.00 C ATOM 982 CG GLU A 60 -3.454 11.355 20.711 1.00 0.00 C ATOM 983 CD GLU A 60 -4.087 10.678 21.926 1.00 0.00 C ATOM 984 OE1 GLU A 60 -5.329 10.713 22.063 1.00 0.00 O ATOM 985 OE2 GLU A 60 -3.339 10.113 22.753 1.00 0.00 O ATOM 0 H GLU A 60 -1.231 9.913 19.394 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.714 8.621 20.033 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.126 11.228 18.577 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.724 10.715 19.081 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.382 11.440 20.889 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.847 12.369 20.643 1.00 0.00 H new ATOM 992 N LEU A 61 -2.972 8.344 16.864 1.00 0.00 N ATOM 993 CA LEU A 61 -3.216 7.367 15.759 1.00 0.00 C ATOM 994 C LEU A 61 -3.074 5.847 16.149 1.00 0.00 C ATOM 995 O LEU A 61 -3.909 5.039 15.729 1.00 0.00 O ATOM 996 CB LEU A 61 -2.319 7.744 14.549 1.00 0.00 C ATOM 997 CG LEU A 61 -2.563 9.117 13.860 1.00 0.00 C ATOM 998 CD1 LEU A 61 -1.443 9.384 12.842 1.00 0.00 C ATOM 999 CD2 LEU A 61 -3.933 9.215 13.165 1.00 0.00 C ATOM 0 H LEU A 61 -2.155 8.936 16.714 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.270 7.454 15.496 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.281 7.717 14.881 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.433 6.966 13.794 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.558 9.873 14.646 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.613 10.346 12.358 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.481 9.400 13.355 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.439 8.595 12.090 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.038 10.198 12.705 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.007 8.445 12.397 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.725 9.072 13.900 1.00 0.00 H new ATOM 1011 N LEU A 62 -2.084 5.452 16.980 1.00 0.00 N ATOM 1012 CA LEU A 62 -2.097 4.153 17.727 1.00 0.00 C ATOM 1013 C LEU A 62 -3.373 3.891 18.599 1.00 0.00 C ATOM 1014 O LEU A 62 -4.029 2.867 18.402 1.00 0.00 O ATOM 1015 CB LEU A 62 -0.739 4.043 18.491 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.546 2.943 19.570 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -0.688 1.515 19.022 1.00 0.00 C ATOM 1018 CD2 LEU A 62 0.831 3.103 20.238 1.00 0.00 C ATOM 0 H LEU A 62 -1.252 6.015 17.158 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.180 3.333 17.014 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.044 3.907 17.745 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.558 5.005 18.971 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.345 3.081 20.298 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.541 0.799 19.830 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.684 1.385 18.599 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.060 1.346 18.247 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.961 2.329 20.994 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.614 3.010 19.485 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.895 4.084 20.709 1.00 0.00 H new ATOM 1030 N GLU A 63 -3.756 4.815 19.496 1.00 0.00 N ATOM 1031 CA GLU A 63 -5.065 4.789 20.216 1.00 0.00 C ATOM 1032 C GLU A 63 -6.365 4.755 19.322 1.00 0.00 C ATOM 1033 O GLU A 63 -7.362 4.151 19.729 1.00 0.00 O ATOM 1034 CB GLU A 63 -5.060 5.964 21.248 1.00 0.00 C ATOM 1035 CG GLU A 63 -4.751 5.588 22.724 1.00 0.00 C ATOM 1036 CD GLU A 63 -3.321 5.172 23.046 1.00 0.00 C ATOM 1037 OE1 GLU A 63 -2.969 3.998 22.811 1.00 0.00 O ATOM 1038 OE2 GLU A 63 -2.564 5.999 23.601 1.00 0.00 O ATOM 0 H GLU A 63 -3.171 5.611 19.752 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.137 3.824 20.718 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.326 6.701 20.923 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.035 6.450 21.217 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.005 6.442 23.352 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.414 4.772 23.012 1.00 0.00 H new ATOM 1045 N LEU A 64 -6.367 5.349 18.114 1.00 0.00 N ATOM 1046 CA LEU A 64 -7.393 5.084 17.060 1.00 0.00 C ATOM 1047 C LEU A 64 -7.364 3.625 16.479 1.00 0.00 C ATOM 1048 O LEU A 64 -8.387 2.934 16.547 1.00 0.00 O ATOM 1049 CB LEU A 64 -7.250 6.198 15.982 1.00 0.00 C ATOM 1050 CG LEU A 64 -8.257 6.199 14.800 1.00 0.00 C ATOM 1051 CD1 LEU A 64 -9.698 6.502 15.246 1.00 0.00 C ATOM 1052 CD2 LEU A 64 -7.826 7.225 13.738 1.00 0.00 C ATOM 0 H LEU A 64 -5.661 6.029 17.830 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.387 5.129 17.505 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.324 7.162 16.485 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.245 6.133 15.565 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.248 5.193 14.380 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.358 6.490 14.378 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.024 5.746 15.961 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.734 7.485 15.715 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.539 7.217 12.914 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.797 8.219 14.183 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.836 6.966 13.363 1.00 0.00 H new ATOM 1064 N ILE A 65 -6.226 3.143 15.930 1.00 0.00 N ATOM 1065 CA ILE A 65 -6.101 1.744 15.398 1.00 0.00 C ATOM 1066 C ILE A 65 -6.298 0.636 16.500 1.00 0.00 C ATOM 1067 O ILE A 65 -7.039 -0.314 16.244 1.00 0.00 O ATOM 1068 CB ILE A 65 -4.801 1.549 14.534 1.00 0.00 C ATOM 1069 CG1 ILE A 65 -4.723 2.480 13.287 1.00 0.00 C ATOM 1070 CG2 ILE A 65 -4.614 0.080 14.048 1.00 0.00 C ATOM 1071 CD1 ILE A 65 -3.324 2.592 12.650 1.00 0.00 C ATOM 0 H ILE A 65 -5.373 3.695 15.838 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.938 1.603 14.714 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.999 1.819 15.221 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.421 2.115 12.534 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.057 3.477 13.574 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.701 0.006 13.457 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.543 -0.582 14.911 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.467 -0.212 13.436 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.368 3.260 11.790 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.621 2.989 13.383 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.992 1.606 12.326 1.00 0.00 H new ATOM 1083 N ALA A 66 -5.696 0.730 17.703 1.00 0.00 N ATOM 1084 CA ALA A 66 -6.012 -0.178 18.843 1.00 0.00 C ATOM 1085 C ALA A 66 -7.525 -0.320 19.224 1.00 0.00 C ATOM 1086 O ALA A 66 -8.010 -1.446 19.348 1.00 0.00 O ATOM 1087 CB ALA A 66 -5.144 0.274 20.035 1.00 0.00 C ATOM 0 H ALA A 66 -4.983 1.427 17.918 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.773 -1.194 18.528 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.344 -0.366 20.894 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.090 0.201 19.766 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.383 1.307 20.288 1.00 0.00 H new ATOM 1093 N ARG A 67 -8.283 0.791 19.318 1.00 0.00 N ATOM 1094 CA ARG A 67 -9.774 0.758 19.419 1.00 0.00 C ATOM 1095 C ARG A 67 -10.525 0.149 18.179 1.00 0.00 C ATOM 1096 O ARG A 67 -11.451 -0.638 18.382 1.00 0.00 O ATOM 1097 CB ARG A 67 -10.275 2.185 19.789 1.00 0.00 C ATOM 1098 CG ARG A 67 -10.301 2.560 21.295 1.00 0.00 C ATOM 1099 CD ARG A 67 -8.964 2.426 22.062 1.00 0.00 C ATOM 1100 NE ARG A 67 -8.932 3.255 23.300 1.00 0.00 N ATOM 1101 CZ ARG A 67 -8.625 4.555 23.349 1.00 0.00 C ATOM 1102 NH1 ARG A 67 -8.342 5.276 22.292 1.00 0.00 N ATOM 1103 NH2 ARG A 67 -8.604 5.144 24.510 1.00 0.00 N ATOM 0 H ARG A 67 -7.893 1.733 19.327 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.027 0.053 20.210 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.645 2.909 19.272 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -11.284 2.301 19.395 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.644 3.591 21.384 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.043 1.933 21.790 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.802 1.380 22.324 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.143 2.722 21.409 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.163 2.794 24.180 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.348 4.848 21.366 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.115 6.265 22.395 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.819 4.614 25.355 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.373 6.135 24.575 1.00 0.00 H new ATOM 1117 N LEU A 68 -10.125 0.446 16.923 1.00 0.00 N ATOM 1118 CA LEU A 68 -10.556 -0.334 15.716 1.00 0.00 C ATOM 1119 C LEU A 68 -10.301 -1.883 15.780 1.00 0.00 C ATOM 1120 O LEU A 68 -11.216 -2.672 15.535 1.00 0.00 O ATOM 1121 CB LEU A 68 -9.876 0.328 14.479 1.00 0.00 C ATOM 1122 CG LEU A 68 -10.248 -0.227 13.078 1.00 0.00 C ATOM 1123 CD1 LEU A 68 -11.696 0.114 12.699 1.00 0.00 C ATOM 1124 CD2 LEU A 68 -9.279 0.309 12.010 1.00 0.00 C ATOM 0 H LEU A 68 -9.501 1.223 16.706 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.643 -0.283 15.652 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.113 1.392 14.494 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.796 0.240 14.601 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.162 -1.313 13.123 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.919 -0.291 11.712 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.376 -0.321 13.432 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.823 1.196 12.684 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.555 -0.091 11.034 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.332 1.397 11.984 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.262 0.001 12.254 1.00 0.00 H new ATOM 1136 N LEU A 69 -9.075 -2.311 16.116 1.00 0.00 N ATOM 1137 CA LEU A 69 -8.713 -3.748 16.289 1.00 0.00 C ATOM 1138 C LEU A 69 -9.377 -4.473 17.516 1.00 0.00 C ATOM 1139 O LEU A 69 -9.744 -5.646 17.391 1.00 0.00 O ATOM 1140 CB LEU A 69 -7.163 -3.850 16.273 1.00 0.00 C ATOM 1141 CG LEU A 69 -6.426 -3.346 14.997 1.00 0.00 C ATOM 1142 CD1 LEU A 69 -4.911 -3.441 15.195 1.00 0.00 C ATOM 1143 CD2 LEU A 69 -6.825 -4.075 13.708 1.00 0.00 C ATOM 0 H LEU A 69 -8.294 -1.676 16.279 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.138 -4.305 15.454 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.780 -3.291 17.127 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.892 -4.894 16.428 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.735 -2.309 14.867 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.404 -3.086 14.298 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.616 -2.826 16.045 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.633 -4.478 15.383 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.265 -3.662 12.869 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.601 -5.137 13.806 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.893 -3.944 13.532 1.00 0.00 H new ATOM 1155 N GLN A 70 -9.599 -3.788 18.656 1.00 0.00 N ATOM 1156 CA GLN A 70 -10.551 -4.233 19.720 1.00 0.00 C ATOM 1157 C GLN A 70 -12.057 -4.315 19.278 1.00 0.00 C ATOM 1158 O GLN A 70 -12.702 -5.328 19.558 1.00 0.00 O ATOM 1159 CB GLN A 70 -10.386 -3.312 20.962 1.00 0.00 C ATOM 1160 CG GLN A 70 -9.042 -3.442 21.728 1.00 0.00 C ATOM 1161 CD GLN A 70 -8.844 -2.378 22.816 1.00 0.00 C ATOM 1162 OE1 GLN A 70 -8.956 -1.176 22.593 1.00 0.00 O ATOM 1163 NE2 GLN A 70 -8.519 -2.770 24.024 1.00 0.00 N ATOM 0 H GLN A 70 -9.129 -2.910 18.875 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.286 -5.263 19.959 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.500 -2.277 20.640 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.200 -3.522 21.656 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.989 -4.430 22.185 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.220 -3.376 21.015 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.421 -3.765 24.228 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.364 -2.080 24.759 1.00 0.00 H new ATOM 1172 N LYS A 71 -12.610 -3.300 18.573 1.00 0.00 N ATOM 1173 CA LYS A 71 -13.935 -3.393 17.878 1.00 0.00 C ATOM 1174 C LYS A 71 -14.093 -4.598 16.884 1.00 0.00 C ATOM 1175 O LYS A 71 -15.099 -5.307 16.950 1.00 0.00 O ATOM 1176 CB LYS A 71 -14.189 -2.013 17.199 1.00 0.00 C ATOM 1177 CG LYS A 71 -15.562 -1.816 16.502 1.00 0.00 C ATOM 1178 CD LYS A 71 -15.547 -0.615 15.532 1.00 0.00 C ATOM 1179 CE LYS A 71 -16.871 -0.443 14.762 1.00 0.00 C ATOM 1180 NZ LYS A 71 -16.693 0.600 13.721 1.00 0.00 N ATOM 0 H LYS A 71 -12.159 -2.392 18.465 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.699 -3.614 18.623 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.078 -1.237 17.956 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.406 -1.850 16.458 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.825 -2.721 15.955 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.334 -1.664 17.256 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.340 0.296 16.094 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.733 -0.742 14.819 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.165 -1.387 14.303 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.670 -0.159 15.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.440 0.505 13.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.751 1.541 14.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.763 0.485 13.270 1.00 0.00 H new ATOM 1194 N LEU A 72 -13.119 -4.831 15.984 1.00 0.00 N ATOM 1195 CA LEU A 72 -13.072 -6.047 15.121 1.00 0.00 C ATOM 1196 C LEU A 72 -12.870 -7.406 15.880 1.00 0.00 C ATOM 1197 O LEU A 72 -13.580 -8.368 15.572 1.00 0.00 O ATOM 1198 CB LEU A 72 -11.991 -5.812 14.025 1.00 0.00 C ATOM 1199 CG LEU A 72 -12.358 -4.795 12.908 1.00 0.00 C ATOM 1200 CD1 LEU A 72 -11.105 -4.249 12.203 1.00 0.00 C ATOM 1201 CD2 LEU A 72 -13.296 -5.432 11.869 1.00 0.00 C ATOM 0 H LEU A 72 -12.341 -4.190 15.828 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.058 -6.172 14.674 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.077 -5.471 14.512 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.764 -6.769 13.556 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.871 -3.964 13.392 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.402 -3.541 11.429 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.469 -3.745 12.930 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.555 -5.073 11.749 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -13.537 -4.699 11.099 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.803 -6.290 11.412 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -14.213 -5.759 12.359 1.00 0.00 H new ATOM 1213 N GLY A 73 -11.943 -7.494 16.853 1.00 0.00 N ATOM 1214 CA GLY A 73 -11.812 -8.677 17.745 1.00 0.00 C ATOM 1215 C GLY A 73 -10.609 -9.579 17.424 1.00 0.00 C ATOM 1216 O GLY A 73 -10.787 -10.662 16.861 1.00 0.00 O ATOM 0 H GLY A 73 -11.266 -6.757 17.047 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.729 -8.333 18.776 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.724 -9.270 17.679 1.00 0.00 H new ATOM 1220 N TYR A 74 -9.395 -9.145 17.800 1.00 0.00 N ATOM 1221 CA TYR A 74 -8.140 -9.864 17.439 1.00 0.00 C ATOM 1222 C TYR A 74 -7.259 -10.174 18.688 1.00 0.00 C ATOM 1223 O TYR A 74 -7.136 -9.366 19.614 1.00 0.00 O ATOM 1224 CB TYR A 74 -7.323 -9.046 16.398 1.00 0.00 C ATOM 1225 CG TYR A 74 -8.007 -8.751 15.049 1.00 0.00 C ATOM 1226 CD1 TYR A 74 -8.449 -9.781 14.212 1.00 0.00 C ATOM 1227 CD2 TYR A 74 -8.190 -7.422 14.653 1.00 0.00 C ATOM 1228 CE1 TYR A 74 -9.065 -9.488 12.996 1.00 0.00 C ATOM 1229 CE2 TYR A 74 -8.798 -7.133 13.437 1.00 0.00 C ATOM 1230 CZ TYR A 74 -9.244 -8.159 12.617 1.00 0.00 C ATOM 1231 OH TYR A 74 -9.903 -7.864 11.458 1.00 0.00 O ATOM 0 H TYR A 74 -9.245 -8.301 18.354 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.432 -10.817 16.999 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.049 -8.095 16.854 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.396 -9.583 16.198 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.312 -10.810 14.510 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.858 -6.618 15.294 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.402 -10.287 12.351 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.924 -6.105 13.129 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.455 -7.117 11.008 1.00 0.00 H new ATOM 1241 N LYS A 75 -6.597 -11.344 18.669 1.00 0.00 N ATOM 1242 CA LYS A 75 -5.655 -11.767 19.745 1.00 0.00 C ATOM 1243 C LYS A 75 -4.270 -11.034 19.745 1.00 0.00 C ATOM 1244 O LYS A 75 -3.950 -10.355 20.723 1.00 0.00 O ATOM 1245 CB LYS A 75 -5.587 -13.326 19.779 1.00 0.00 C ATOM 1246 CG LYS A 75 -4.968 -14.036 18.544 1.00 0.00 C ATOM 1247 CD LYS A 75 -5.022 -15.573 18.540 1.00 0.00 C ATOM 1248 CE LYS A 75 -6.436 -16.150 18.327 1.00 0.00 C ATOM 1249 NZ LYS A 75 -6.322 -17.536 17.805 1.00 0.00 N ATOM 0 H LYS A 75 -6.692 -12.026 17.917 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.059 -11.429 20.700 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.016 -13.620 20.659 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.600 -13.706 19.915 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.478 -13.674 17.651 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.925 -13.731 18.462 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.366 -15.947 17.754 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.629 -15.943 19.487 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.989 -16.146 19.266 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.994 -15.529 17.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.251 -18.002 17.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.996 -17.509 16.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.639 -18.069 18.381 1.00 0.00 H new ATOM 1263 N ASP A 76 -3.454 -11.160 18.680 1.00 0.00 N ATOM 1264 CA ASP A 76 -2.029 -10.735 18.708 1.00 0.00 C ATOM 1265 C ASP A 76 -1.877 -9.367 17.972 1.00 0.00 C ATOM 1266 O ASP A 76 -1.527 -9.298 16.788 1.00 0.00 O ATOM 1267 CB ASP A 76 -1.146 -11.850 18.088 1.00 0.00 C ATOM 1268 CG ASP A 76 -1.145 -13.225 18.753 1.00 0.00 C ATOM 1269 OD1 ASP A 76 -0.820 -13.319 19.954 1.00 0.00 O ATOM 1270 OD2 ASP A 76 -1.467 -14.220 18.065 1.00 0.00 O ATOM 0 H ASP A 76 -3.752 -11.552 17.787 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.693 -10.587 19.734 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.456 -11.982 17.051 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.118 -11.489 18.070 1.00 0.00 H new ATOM 1275 N ILE A 77 -2.148 -8.267 18.694 1.00 0.00 N ATOM 1276 CA ILE A 77 -2.078 -6.881 18.137 1.00 0.00 C ATOM 1277 C ILE A 77 -0.642 -6.338 18.444 1.00 0.00 C ATOM 1278 O ILE A 77 -0.367 -5.841 19.541 1.00 0.00 O ATOM 1279 CB ILE A 77 -3.268 -6.017 18.694 1.00 0.00 C ATOM 1280 CG1 ILE A 77 -4.671 -6.546 18.253 1.00 0.00 C ATOM 1281 CG2 ILE A 77 -3.141 -4.520 18.305 1.00 0.00 C ATOM 1282 CD1 ILE A 77 -5.857 -6.058 19.106 1.00 0.00 C ATOM 0 H ILE A 77 -2.422 -8.299 19.676 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.211 -6.845 17.056 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.196 -6.111 19.778 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.843 -6.251 17.218 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.653 -7.636 18.275 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.986 -3.965 18.713 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.213 -4.116 18.710 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.135 -4.425 17.219 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -6.783 -6.481 18.717 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.718 -6.377 20.139 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.911 -4.970 19.066 1.00 0.00 H new ATOM 1294 N ASN A 78 0.282 -6.465 17.475 1.00 0.00 N ATOM 1295 CA ASN A 78 1.733 -6.232 17.721 1.00 0.00 C ATOM 1296 C ASN A 78 2.134 -4.783 17.307 1.00 0.00 C ATOM 1297 O ASN A 78 2.276 -4.467 16.122 1.00 0.00 O ATOM 1298 CB ASN A 78 2.594 -7.294 16.983 1.00 0.00 C ATOM 1299 CG ASN A 78 2.446 -8.742 17.453 1.00 0.00 C ATOM 1300 OD1 ASN A 78 3.106 -9.194 18.379 1.00 0.00 O ATOM 1301 ND2 ASN A 78 1.612 -9.530 16.816 1.00 0.00 N ATOM 0 H ASN A 78 0.060 -6.726 16.514 1.00 0.00 H new ATOM 0 HA ASN A 78 1.925 -6.337 18.789 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.349 -7.254 15.922 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.642 -7.010 17.079 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.520 -10.507 17.095 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.056 -9.166 16.042 1.00 0.00 H new ATOM 1308 N VAL A 79 2.343 -3.909 18.302 1.00 0.00 N ATOM 1309 CA VAL A 79 2.809 -2.511 18.080 1.00 0.00 C ATOM 1310 C VAL A 79 4.324 -2.440 17.665 1.00 0.00 C ATOM 1311 O VAL A 79 5.213 -2.932 18.368 1.00 0.00 O ATOM 1312 CB VAL A 79 2.416 -1.651 19.330 1.00 0.00 C ATOM 1313 CG1 VAL A 79 3.146 -2.011 20.645 1.00 0.00 C ATOM 1314 CG2 VAL A 79 2.597 -0.143 19.086 1.00 0.00 C ATOM 0 H VAL A 79 2.197 -4.140 19.285 1.00 0.00 H new ATOM 0 HA VAL A 79 2.304 -2.076 17.218 1.00 0.00 H new ATOM 0 HB VAL A 79 1.363 -1.900 19.463 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.800 -1.356 21.444 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.933 -3.047 20.907 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.220 -1.884 20.511 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.311 0.407 19.982 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.641 0.065 18.850 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.968 0.169 18.252 1.00 0.00 H new ATOM 1324 N ARG A 80 4.597 -1.842 16.496 1.00 0.00 N ATOM 1325 CA ARG A 80 5.939 -1.865 15.851 1.00 0.00 C ATOM 1326 C ARG A 80 6.250 -0.440 15.275 1.00 0.00 C ATOM 1327 O ARG A 80 6.232 -0.219 14.061 1.00 0.00 O ATOM 1328 CB ARG A 80 5.884 -3.026 14.807 1.00 0.00 C ATOM 1329 CG ARG A 80 7.235 -3.472 14.209 1.00 0.00 C ATOM 1330 CD ARG A 80 7.065 -4.659 13.237 1.00 0.00 C ATOM 1331 NE ARG A 80 8.404 -5.163 12.841 1.00 0.00 N ATOM 1332 CZ ARG A 80 8.629 -6.204 12.038 1.00 0.00 C ATOM 1333 NH1 ARG A 80 7.693 -6.893 11.428 1.00 0.00 N ATOM 1334 NH2 ARG A 80 9.866 -6.559 11.844 1.00 0.00 N ATOM 0 H ARG A 80 3.899 -1.325 15.962 1.00 0.00 H new ATOM 0 HA ARG A 80 6.769 -2.068 16.528 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.417 -3.890 15.280 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.232 -2.720 13.989 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.695 -2.635 13.684 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.914 -3.755 15.014 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.490 -5.454 13.712 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.506 -4.345 12.355 1.00 0.00 H new ATOM 0 HE ARG A 80 9.218 -4.674 13.213 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.712 -6.643 11.554 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.947 -7.678 10.828 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.621 -6.046 12.299 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.080 -7.350 11.237 1.00 0.00 H new ATOM 1348 N VAL A 81 6.504 0.547 16.158 1.00 0.00 N ATOM 1349 CA VAL A 81 6.517 1.994 15.771 1.00 0.00 C ATOM 1350 C VAL A 81 7.939 2.411 15.269 1.00 0.00 C ATOM 1351 O VAL A 81 8.924 2.411 16.013 1.00 0.00 O ATOM 1352 CB VAL A 81 5.950 2.892 16.929 1.00 0.00 C ATOM 1353 CG1 VAL A 81 6.026 4.411 16.643 1.00 0.00 C ATOM 1354 CG2 VAL A 81 4.466 2.599 17.253 1.00 0.00 C ATOM 0 H VAL A 81 6.704 0.381 17.144 1.00 0.00 H new ATOM 0 HA VAL A 81 5.844 2.154 14.929 1.00 0.00 H new ATOM 0 HB VAL A 81 6.596 2.632 17.767 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.615 4.962 17.489 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.066 4.701 16.491 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.450 4.642 15.747 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.134 3.251 18.061 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.858 2.780 16.367 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.359 1.559 17.560 1.00 0.00 H new ATOM 1364 N ASN A 82 8.009 2.814 13.994 1.00 0.00 N ATOM 1365 CA ASN A 82 9.238 3.335 13.343 1.00 0.00 C ATOM 1366 C ASN A 82 9.266 4.905 13.406 1.00 0.00 C ATOM 1367 O ASN A 82 9.056 5.602 12.408 1.00 0.00 O ATOM 1368 CB ASN A 82 9.166 2.672 11.936 1.00 0.00 C ATOM 1369 CG ASN A 82 10.251 3.019 10.916 1.00 0.00 C ATOM 1370 OD1 ASN A 82 11.358 3.445 11.226 1.00 0.00 O ATOM 1371 ND2 ASN A 82 9.960 2.808 9.655 1.00 0.00 N ATOM 0 H ASN A 82 7.205 2.790 13.367 1.00 0.00 H new ATOM 0 HA ASN A 82 10.189 3.088 13.815 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.175 1.591 12.077 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.202 2.928 11.496 1.00 0.00 H new ATOM 0 HD21 ASN A 82 10.654 2.998 8.933 1.00 0.00 H new ATOM 0 HD22 ASN A 82 9.039 2.454 9.397 1.00 0.00 H new ATOM 1378 N GLY A 83 9.496 5.458 14.617 1.00 0.00 N ATOM 1379 CA GLY A 83 9.386 6.922 14.880 1.00 0.00 C ATOM 1380 C GLY A 83 7.953 7.489 14.805 1.00 0.00 C ATOM 1381 O GLY A 83 7.137 7.274 15.704 1.00 0.00 O ATOM 0 H GLY A 83 9.761 4.913 15.438 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.792 7.130 15.870 1.00 0.00 H new ATOM 0 HA3 GLY A 83 10.010 7.453 14.161 1.00 0.00 H new ATOM 1385 N THR A 84 7.655 8.189 13.706 1.00 0.00 N ATOM 1386 CA THR A 84 6.256 8.592 13.346 1.00 0.00 C ATOM 1387 C THR A 84 5.485 7.592 12.400 1.00 0.00 C ATOM 1388 O THR A 84 4.273 7.745 12.227 1.00 0.00 O ATOM 1389 CB THR A 84 6.253 10.036 12.755 1.00 0.00 C ATOM 1390 OG1 THR A 84 7.043 10.126 11.574 1.00 0.00 O ATOM 1391 CG2 THR A 84 6.720 11.131 13.731 1.00 0.00 C ATOM 0 H THR A 84 8.357 8.499 13.034 1.00 0.00 H new ATOM 0 HA THR A 84 5.696 8.563 14.281 1.00 0.00 H new ATOM 0 HB THR A 84 5.202 10.220 12.531 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.016 11.044 11.232 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.685 12.100 13.234 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.065 11.146 14.602 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.742 10.923 14.049 1.00 0.00 H new ATOM 1399 N GLU A 85 6.153 6.579 11.801 1.00 0.00 N ATOM 1400 CA GLU A 85 5.514 5.487 11.015 1.00 0.00 C ATOM 1401 C GLU A 85 4.998 4.369 11.980 1.00 0.00 C ATOM 1402 O GLU A 85 5.760 3.566 12.529 1.00 0.00 O ATOM 1403 CB GLU A 85 6.584 5.044 9.974 1.00 0.00 C ATOM 1404 CG GLU A 85 6.204 3.987 8.906 1.00 0.00 C ATOM 1405 CD GLU A 85 6.196 2.516 9.307 1.00 0.00 C ATOM 1406 OE1 GLU A 85 7.271 1.880 9.302 1.00 0.00 O ATOM 1407 OE2 GLU A 85 5.105 1.947 9.526 1.00 0.00 O ATOM 0 H GLU A 85 7.168 6.492 11.848 1.00 0.00 H new ATOM 0 HA GLU A 85 4.618 5.790 10.473 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.920 5.937 9.447 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.441 4.659 10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.210 4.234 8.534 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.894 4.099 8.069 1.00 0.00 H new ATOM 1414 N VAL A 86 3.682 4.363 12.230 1.00 0.00 N ATOM 1415 CA VAL A 86 3.050 3.493 13.263 1.00 0.00 C ATOM 1416 C VAL A 86 2.594 2.170 12.576 1.00 0.00 C ATOM 1417 O VAL A 86 1.490 2.113 12.023 1.00 0.00 O ATOM 1418 CB VAL A 86 1.898 4.298 13.967 1.00 0.00 C ATOM 1419 CG1 VAL A 86 0.998 3.475 14.918 1.00 0.00 C ATOM 1420 CG2 VAL A 86 2.400 5.511 14.777 1.00 0.00 C ATOM 0 H VAL A 86 3.017 4.954 11.731 1.00 0.00 H new ATOM 0 HA VAL A 86 3.744 3.208 14.054 1.00 0.00 H new ATOM 0 HB VAL A 86 1.307 4.618 13.109 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.237 4.124 15.351 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.516 2.673 14.359 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.606 3.047 15.715 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.551 6.019 15.235 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.083 5.171 15.556 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.921 6.201 14.113 1.00 0.00 H new ATOM 1430 N LYS A 87 3.427 1.110 12.620 1.00 0.00 N ATOM 1431 CA LYS A 87 3.061 -0.215 12.055 1.00 0.00 C ATOM 1432 C LYS A 87 2.415 -1.096 13.157 1.00 0.00 C ATOM 1433 O LYS A 87 3.078 -1.476 14.124 1.00 0.00 O ATOM 1434 CB LYS A 87 4.295 -0.876 11.386 1.00 0.00 C ATOM 1435 CG LYS A 87 3.943 -2.091 10.491 1.00 0.00 C ATOM 1436 CD LYS A 87 5.109 -2.636 9.636 1.00 0.00 C ATOM 1437 CE LYS A 87 5.338 -1.943 8.276 1.00 0.00 C ATOM 1438 NZ LYS A 87 6.089 -0.662 8.413 1.00 0.00 N ATOM 0 H LYS A 87 4.357 1.141 13.039 1.00 0.00 H new ATOM 0 HA LYS A 87 2.316 -0.093 11.269 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.813 -0.130 10.783 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.989 -1.197 12.162 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.572 -2.895 11.127 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.127 -1.808 9.826 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.027 -2.559 10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.935 -3.697 9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.887 -2.615 7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.375 -1.748 7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.647 -0.493 7.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.418 0.121 8.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.726 -0.719 9.233 1.00 0.00 H new ATOM 1452 N ILE A 88 1.122 -1.419 13.024 1.00 0.00 N ATOM 1453 CA ILE A 88 0.416 -2.308 13.996 1.00 0.00 C ATOM 1454 C ILE A 88 0.089 -3.632 13.234 1.00 0.00 C ATOM 1455 O ILE A 88 -0.605 -3.650 12.210 1.00 0.00 O ATOM 1456 CB ILE A 88 -0.787 -1.582 14.676 1.00 0.00 C ATOM 1457 CG1 ILE A 88 -0.335 -0.329 15.490 1.00 0.00 C ATOM 1458 CG2 ILE A 88 -1.558 -2.526 15.634 1.00 0.00 C ATOM 1459 CD1 ILE A 88 -1.425 0.731 15.650 1.00 0.00 C ATOM 0 H ILE A 88 0.533 -1.087 12.260 1.00 0.00 H new ATOM 0 HA ILE A 88 1.036 -2.567 14.854 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.439 -1.268 13.861 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.005 -0.649 16.478 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.527 0.121 14.997 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.388 -1.985 16.088 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.944 -3.378 15.073 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.885 -2.880 16.415 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.035 1.570 16.226 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.739 1.081 14.667 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.279 0.299 16.171 1.00 0.00 H new ATOM 1471 N GLU A 89 0.668 -4.728 13.741 1.00 0.00 N ATOM 1472 CA GLU A 89 0.842 -5.985 12.980 1.00 0.00 C ATOM 1473 C GLU A 89 -0.013 -7.114 13.638 1.00 0.00 C ATOM 1474 O GLU A 89 0.330 -7.676 14.684 1.00 0.00 O ATOM 1475 CB GLU A 89 2.379 -6.208 12.942 1.00 0.00 C ATOM 1476 CG GLU A 89 2.891 -7.320 11.998 1.00 0.00 C ATOM 1477 CD GLU A 89 4.420 -7.342 11.935 1.00 0.00 C ATOM 1478 OE1 GLU A 89 5.030 -6.393 11.397 1.00 0.00 O ATOM 1479 OE2 GLU A 89 5.036 -8.306 12.438 1.00 0.00 O ATOM 0 H GLU A 89 1.032 -4.774 14.693 1.00 0.00 H new ATOM 0 HA GLU A 89 0.477 -5.966 11.953 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.853 -5.270 12.653 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.716 -6.437 13.953 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.526 -8.288 12.342 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.487 -7.164 10.998 1.00 0.00 H new ATOM 1486 N VAL A 90 -1.167 -7.420 13.025 1.00 0.00 N ATOM 1487 CA VAL A 90 -2.149 -8.407 13.570 1.00 0.00 C ATOM 1488 C VAL A 90 -1.695 -9.858 13.219 1.00 0.00 C ATOM 1489 O VAL A 90 -1.444 -10.163 12.050 1.00 0.00 O ATOM 1490 CB VAL A 90 -3.594 -8.121 13.026 1.00 0.00 C ATOM 1491 CG1 VAL A 90 -4.672 -9.118 13.516 1.00 0.00 C ATOM 1492 CG2 VAL A 90 -4.138 -6.713 13.361 1.00 0.00 C ATOM 0 H VAL A 90 -1.457 -7.000 12.142 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.181 -8.305 14.655 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.438 -8.224 11.952 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.639 -8.846 13.092 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.407 -10.126 13.197 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.730 -9.085 14.604 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.140 -6.602 12.947 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.176 -6.585 14.443 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.482 -5.957 12.929 1.00 0.00 H new ATOM 1502 N ARG A 91 -1.689 -10.759 14.212 1.00 0.00 N ATOM 1503 CA ARG A 91 -1.751 -12.228 13.970 1.00 0.00 C ATOM 1504 C ARG A 91 -3.101 -12.804 14.532 1.00 0.00 C ATOM 1505 O ARG A 91 -3.493 -12.537 15.675 1.00 0.00 O ATOM 1506 CB ARG A 91 -0.497 -12.921 14.592 1.00 0.00 C ATOM 1507 CG ARG A 91 0.621 -13.332 13.601 1.00 0.00 C ATOM 1508 CD ARG A 91 1.409 -12.228 12.890 1.00 0.00 C ATOM 1509 NE ARG A 91 2.261 -11.466 13.839 1.00 0.00 N ATOM 1510 CZ ARG A 91 3.285 -10.703 13.481 1.00 0.00 C ATOM 1511 NH1 ARG A 91 3.805 -10.688 12.281 1.00 0.00 N ATOM 1512 NH2 ARG A 91 3.796 -9.893 14.354 1.00 0.00 N ATOM 0 H ARG A 91 -1.642 -10.505 15.199 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.734 -12.433 12.900 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.067 -12.248 15.334 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.827 -13.813 15.124 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.335 -13.951 14.145 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.170 -13.963 12.835 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.033 -12.669 12.113 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.717 -11.547 12.395 1.00 0.00 H new ATOM 0 HE ARG A 91 2.044 -11.534 14.833 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.422 -11.289 11.552 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.594 -10.075 12.075 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.410 -9.850 15.297 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.584 -9.298 14.098 1.00 0.00 H new ATOM 1526 N VAL A 92 -3.803 -13.625 13.727 1.00 0.00 N ATOM 1527 CA VAL A 92 -5.081 -14.277 14.144 1.00 0.00 C ATOM 1528 C VAL A 92 -4.730 -15.748 14.467 1.00 0.00 C ATOM 1529 O VAL A 92 -5.382 -16.415 15.278 1.00 0.00 O ATOM 1530 CB VAL A 92 -6.195 -14.135 13.050 1.00 0.00 C ATOM 1531 CG1 VAL A 92 -7.558 -14.717 13.494 1.00 0.00 C ATOM 1532 CG2 VAL A 92 -6.473 -12.680 12.603 1.00 0.00 C ATOM 0 H VAL A 92 -3.513 -13.860 12.778 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.506 -13.792 15.022 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.776 -14.701 12.218 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.287 -14.588 12.694 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.446 -15.778 13.715 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.903 -14.195 14.386 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.256 -12.676 11.845 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.795 -12.091 13.462 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.563 -12.247 12.187 1.00 0.00 H new