USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 463 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 10 GLN : amide:sc= -1.78! C(o=-2.2!,f=-17!) USER MOD Set 1.2: A 42 SER OG : rot -139:sc= -0.387! USER MOD Set 2.1: A 24 ASN : amide:sc= -1.59! C(o=-3.1!,f=-6.4!) USER MOD Set 2.2: A 27 GLN : amide:sc= -1.54! K(o=-3.1!,f=-6.4) USER MOD Set 3.1: A 22 ASN :FLIP amide:sc= -2.3! C(o=-8!,f=-3.2!) USER MOD Set 3.2: A 53 ASN : amide:sc= -0.889! C(o=-3.2!,f=-11!) USER MOD Single : A 1 THR N :NH3+ 155:sc= 0.248 (180deg=-0.245) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 4 ASN : amide:sc= -0.0808 X(o=-0.081,f=-0.46) USER MOD Single : A 5 LYS NZ :NH3+ -159:sc= -0.0622 (180deg=-0.356) USER MOD Single : A 7 ASN :FLIP amide:sc= -1.42! C(o=-10!,f=-1.4!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -3.41 F(o=-12!,f=-3.4) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.767! C(o=-6.2!,f=-0.77!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -2.61 K(o=-2.6,f=-4.1!) USER MOD Single : A 29 ASN : amide:sc= -1.01 K(o=-1,f=-2!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -125:sc= 0.257 (180deg=-2.27!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 44 ASN : amide:sc= -0.396 X(o=-0.4,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.239) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.404 F(o=-4.4!,f=-0.4) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 16.864 -2.244 9.495 1.00 1.00 N ATOM 2 CA THR A 1 15.862 -1.209 9.151 1.00 1.00 C ATOM 3 C THR A 1 16.536 0.150 9.009 1.00 1.00 C ATOM 4 O THR A 1 15.932 1.173 9.261 1.00 1.00 O ATOM 5 CB THR A 1 14.809 -1.119 10.260 1.00 1.00 C ATOM 6 OG1 THR A 1 14.558 -2.459 10.642 1.00 1.00 O ATOM 7 CG2 THR A 1 13.473 -0.619 9.701 1.00 1.00 C ATOM 0 H1 THR A 1 16.396 -3.029 9.991 1.00 1.00 H new ATOM 0 H2 THR A 1 17.308 -2.600 8.625 1.00 1.00 H new ATOM 0 H3 THR A 1 17.592 -1.831 10.111 1.00 1.00 H new ATOM 0 HA THR A 1 15.390 -1.484 8.208 1.00 1.00 H new ATOM 0 HB THR A 1 15.160 -0.460 11.054 1.00 1.00 H new ATOM 0 HG1 THR A 1 13.888 -2.475 11.357 1.00 1.00 H new ATOM 0 HG21 THR A 1 12.740 -0.563 10.506 1.00 1.00 H new ATOM 0 HG22 THR A 1 13.609 0.370 9.264 1.00 1.00 H new ATOM 0 HG23 THR A 1 13.118 -1.308 8.935 1.00 1.00 H new ATOM 17 N ALA A 2 17.784 0.130 8.605 1.00 1.00 N ATOM 18 CA ALA A 2 18.529 1.407 8.435 1.00 1.00 C ATOM 19 C ALA A 2 18.721 1.737 6.958 1.00 1.00 C ATOM 20 O ALA A 2 17.989 2.531 6.399 1.00 1.00 O ATOM 21 CB ALA A 2 19.911 1.248 9.089 1.00 1.00 C ATOM 0 H ALA A 2 18.313 -0.715 8.388 1.00 1.00 H new ATOM 0 HA ALA A 2 17.961 2.214 8.899 1.00 1.00 H new ATOM 0 HB1 ALA A 2 20.476 2.174 8.976 1.00 1.00 H new ATOM 0 HB2 ALA A 2 19.788 1.024 10.149 1.00 1.00 H new ATOM 0 HB3 ALA A 2 20.450 0.433 8.606 1.00 1.00 H new ATOM 27 N ASP A 3 19.703 1.120 6.354 1.00 1.00 N ATOM 28 CA ASP A 3 19.961 1.385 4.913 1.00 1.00 C ATOM 29 C ASP A 3 19.336 0.301 4.039 1.00 1.00 C ATOM 30 O ASP A 3 19.712 -0.852 4.114 1.00 1.00 O ATOM 31 CB ASP A 3 21.482 1.377 4.692 1.00 1.00 C ATOM 32 CG ASP A 3 21.797 1.912 3.293 1.00 1.00 C ATOM 33 OD1 ASP A 3 21.010 2.724 2.836 1.00 1.00 O ATOM 34 OD2 ASP A 3 22.807 1.480 2.762 1.00 1.00 O ATOM 0 H ASP A 3 20.332 0.449 6.795 1.00 1.00 H new ATOM 0 HA ASP A 3 19.524 2.346 4.642 1.00 1.00 H new ATOM 0 HB2 ASP A 3 21.973 1.991 5.447 1.00 1.00 H new ATOM 0 HB3 ASP A 3 21.871 0.365 4.802 1.00 1.00 H new ATOM 39 N ASN A 4 18.388 0.690 3.225 1.00 1.00 N ATOM 40 CA ASN A 4 17.732 -0.310 2.341 1.00 1.00 C ATOM 41 C ASN A 4 16.804 0.374 1.338 1.00 1.00 C ATOM 42 O ASN A 4 16.039 -0.275 0.655 1.00 1.00 O ATOM 43 CB ASN A 4 16.899 -1.264 3.215 1.00 1.00 C ATOM 44 CG ASN A 4 16.719 -2.595 2.480 1.00 1.00 C ATOM 45 OD1 ASN A 4 17.661 -3.166 1.967 1.00 1.00 O ATOM 46 ND2 ASN A 4 15.527 -3.122 2.402 1.00 1.00 N ATOM 0 H ASN A 4 18.045 1.647 3.137 1.00 1.00 H new ATOM 0 HA ASN A 4 18.501 -0.853 1.791 1.00 1.00 H new ATOM 0 HB2 ASN A 4 17.396 -1.428 4.171 1.00 1.00 H new ATOM 0 HB3 ASN A 4 15.927 -0.821 3.433 1.00 1.00 H new ATOM 0 HD21 ASN A 4 15.392 -4.007 1.913 1.00 1.00 H new ATOM 0 HD22 ASN A 4 14.731 -2.649 2.830 1.00 1.00 H new ATOM 53 N LYS A 5 16.897 1.678 1.273 1.00 1.00 N ATOM 54 CA LYS A 5 16.036 2.446 0.327 1.00 1.00 C ATOM 55 C LYS A 5 14.558 2.138 0.537 1.00 1.00 C ATOM 56 O LYS A 5 14.117 1.031 0.321 1.00 1.00 O ATOM 57 CB LYS A 5 16.415 2.073 -1.114 1.00 1.00 C ATOM 58 CG LYS A 5 15.585 2.921 -2.093 1.00 1.00 C ATOM 59 CD LYS A 5 16.415 3.194 -3.350 1.00 1.00 C ATOM 60 CE LYS A 5 15.477 3.496 -4.524 1.00 1.00 C ATOM 61 NZ LYS A 5 14.791 2.254 -4.979 1.00 1.00 N ATOM 0 H LYS A 5 17.533 2.243 1.835 1.00 1.00 H new ATOM 0 HA LYS A 5 16.197 3.508 0.511 1.00 1.00 H new ATOM 0 HB2 LYS A 5 17.479 2.244 -1.278 1.00 1.00 H new ATOM 0 HB3 LYS A 5 16.232 1.013 -1.288 1.00 1.00 H new ATOM 0 HG2 LYS A 5 14.665 2.399 -2.356 1.00 1.00 H new ATOM 0 HG3 LYS A 5 15.294 3.861 -1.623 1.00 1.00 H new ATOM 0 HD2 LYS A 5 17.086 4.036 -3.180 1.00 1.00 H new ATOM 0 HD3 LYS A 5 17.039 2.331 -3.582 1.00 1.00 H new ATOM 0 HE2 LYS A 5 14.737 4.238 -4.224 1.00 1.00 H new ATOM 0 HE3 LYS A 5 16.045 3.928 -5.348 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 14.453 2.381 -5.954 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 15.458 1.457 -4.945 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 13.982 2.056 -4.356 1.00 1.00 H new ATOM 75 N PHE A 6 13.849 3.145 0.989 1.00 1.00 N ATOM 76 CA PHE A 6 12.381 3.041 1.252 1.00 1.00 C ATOM 77 C PHE A 6 11.970 4.138 2.229 1.00 1.00 C ATOM 78 O PHE A 6 11.794 3.919 3.412 1.00 1.00 O ATOM 79 CB PHE A 6 12.046 1.661 1.843 1.00 1.00 C ATOM 80 CG PHE A 6 11.451 0.700 0.750 1.00 1.00 C ATOM 81 CD1 PHE A 6 11.698 0.862 -0.631 1.00 1.00 C ATOM 82 CD2 PHE A 6 10.576 -0.305 1.140 1.00 1.00 C ATOM 83 CE1 PHE A 6 11.073 0.048 -1.554 1.00 1.00 C ATOM 84 CE2 PHE A 6 9.959 -1.111 0.199 1.00 1.00 C ATOM 85 CZ PHE A 6 10.204 -0.932 -1.141 1.00 1.00 C ATOM 0 H PHE A 6 14.242 4.064 1.192 1.00 1.00 H new ATOM 0 HA PHE A 6 11.835 3.161 0.316 1.00 1.00 H new ATOM 0 HB2 PHE A 6 12.946 1.217 2.269 1.00 1.00 H new ATOM 0 HB3 PHE A 6 11.331 1.776 2.657 1.00 1.00 H new ATOM 0 HD1 PHE A 6 12.381 1.628 -0.967 1.00 1.00 H new ATOM 0 HD2 PHE A 6 10.374 -0.460 2.190 1.00 1.00 H new ATOM 0 HE1 PHE A 6 11.269 0.183 -2.608 1.00 1.00 H new ATOM 0 HE2 PHE A 6 9.280 -1.887 0.521 1.00 1.00 H new ATOM 0 HZ PHE A 6 9.714 -1.561 -1.869 1.00 1.00 H new ATOM 95 N ASN A 7 11.839 5.309 1.677 1.00 1.00 N ATOM 96 CA ASN A 7 11.448 6.501 2.467 1.00 1.00 C ATOM 97 C ASN A 7 10.528 7.385 1.662 1.00 1.00 C ATOM 98 O ASN A 7 9.826 8.218 2.201 1.00 1.00 O ATOM 99 CB ASN A 7 12.706 7.279 2.779 1.00 1.00 C ATOM 100 CG ASN A 7 13.830 6.755 1.899 1.00 1.00 C ATOM 101 OD1 ASN A 7 14.248 5.536 2.095 1.00 1.00 O flip ATOM 102 ND2 ASN A 7 14.335 7.440 1.032 1.00 1.00 N flip ATOM 0 H ASN A 7 11.991 5.492 0.685 1.00 1.00 H new ATOM 0 HA ASN A 7 10.934 6.188 3.376 1.00 1.00 H new ATOM 0 HB2 ASN A 7 12.548 8.342 2.598 1.00 1.00 H new ATOM 0 HB3 ASN A 7 12.967 7.170 3.832 1.00 1.00 H new ATOM 0 HD21 ASN A 7 14.007 8.394 0.880 1.00 1.00 H new ATOM 0 HD22 ASN A 7 15.087 7.061 0.456 1.00 1.00 H new ATOM 109 N LYS A 8 10.587 7.197 0.376 1.00 1.00 N ATOM 110 CA LYS A 8 9.727 7.994 -0.547 1.00 1.00 C ATOM 111 C LYS A 8 8.372 8.232 0.110 1.00 1.00 C ATOM 112 O LYS A 8 8.013 9.351 0.403 1.00 1.00 O ATOM 113 CB LYS A 8 9.503 7.139 -1.821 1.00 1.00 C ATOM 114 CG LYS A 8 9.861 7.931 -3.079 1.00 1.00 C ATOM 115 CD LYS A 8 9.549 7.060 -4.317 1.00 1.00 C ATOM 116 CE LYS A 8 10.078 7.759 -5.569 1.00 1.00 C ATOM 117 NZ LYS A 8 9.588 7.070 -6.795 1.00 1.00 N ATOM 0 H LYS A 8 11.198 6.521 -0.082 1.00 1.00 H new ATOM 0 HA LYS A 8 10.197 8.949 -0.781 1.00 1.00 H new ATOM 0 HB2 LYS A 8 10.111 6.236 -1.769 1.00 1.00 H new ATOM 0 HB3 LYS A 8 8.462 6.820 -1.871 1.00 1.00 H new ATOM 0 HG2 LYS A 8 9.291 8.859 -3.116 1.00 1.00 H new ATOM 0 HG3 LYS A 8 10.916 8.205 -3.066 1.00 1.00 H new ATOM 0 HD2 LYS A 8 10.011 6.078 -4.212 1.00 1.00 H new ATOM 0 HD3 LYS A 8 8.474 6.899 -4.402 1.00 1.00 H new ATOM 0 HE2 LYS A 8 9.755 8.800 -5.576 1.00 1.00 H new ATOM 0 HE3 LYS A 8 11.168 7.763 -5.558 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 9.956 7.557 -7.637 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 9.917 6.083 -6.794 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 8.548 7.088 -6.811 1.00 1.00 H new ATOM 131 N GLU A 9 7.674 7.151 0.346 1.00 1.00 N ATOM 132 CA GLU A 9 6.333 7.238 0.993 1.00 1.00 C ATOM 133 C GLU A 9 5.728 5.840 1.128 1.00 1.00 C ATOM 134 O GLU A 9 4.533 5.700 1.211 1.00 1.00 O ATOM 135 CB GLU A 9 5.392 8.078 0.094 1.00 1.00 C ATOM 136 CG GLU A 9 4.057 8.293 0.812 1.00 1.00 C ATOM 137 CD GLU A 9 3.723 9.785 0.813 1.00 1.00 C ATOM 138 OE1 GLU A 9 4.335 10.474 1.611 1.00 1.00 O ATOM 139 OE2 GLU A 9 2.876 10.150 0.014 1.00 1.00 O ATOM 0 H GLU A 9 7.979 6.205 0.116 1.00 1.00 H new ATOM 0 HA GLU A 9 6.443 7.695 1.976 1.00 1.00 H new ATOM 0 HB2 GLU A 9 5.853 9.039 -0.135 1.00 1.00 H new ATOM 0 HB3 GLU A 9 5.228 7.568 -0.856 1.00 1.00 H new ATOM 0 HG2 GLU A 9 3.267 7.731 0.313 1.00 1.00 H new ATOM 0 HG3 GLU A 9 4.116 7.920 1.835 1.00 1.00 H new ATOM 146 N GLN A 10 6.572 4.830 1.156 1.00 1.00 N ATOM 147 CA GLN A 10 6.045 3.433 1.274 1.00 1.00 C ATOM 148 C GLN A 10 5.935 2.925 2.713 1.00 1.00 C ATOM 149 O GLN A 10 4.894 2.474 3.127 1.00 1.00 O ATOM 150 CB GLN A 10 6.984 2.474 0.523 1.00 1.00 C ATOM 151 CG GLN A 10 8.444 2.912 0.680 1.00 1.00 C ATOM 152 CD GLN A 10 8.889 3.622 -0.589 1.00 1.00 C ATOM 153 OE1 GLN A 10 8.576 4.769 -0.808 1.00 1.00 O ATOM 154 NE2 GLN A 10 9.620 2.975 -1.453 1.00 1.00 N ATOM 0 H GLN A 10 7.587 4.913 1.103 1.00 1.00 H new ATOM 0 HA GLN A 10 5.040 3.459 0.853 1.00 1.00 H new ATOM 0 HB2 GLN A 10 6.860 1.461 0.906 1.00 1.00 H new ATOM 0 HB3 GLN A 10 6.718 2.450 -0.534 1.00 1.00 H new ATOM 0 HG2 GLN A 10 8.547 3.576 1.538 1.00 1.00 H new ATOM 0 HG3 GLN A 10 9.078 2.046 0.869 1.00 1.00 H new ATOM 0 HE21 GLN A 10 9.886 2.007 -1.272 1.00 1.00 H new ATOM 0 HE22 GLN A 10 9.926 3.437 -2.310 1.00 1.00 H new ATOM 163 N GLN A 11 7.015 2.988 3.435 1.00 1.00 N ATOM 164 CA GLN A 11 7.000 2.501 4.841 1.00 1.00 C ATOM 165 C GLN A 11 5.899 3.155 5.682 1.00 1.00 C ATOM 166 O GLN A 11 4.997 2.486 6.179 1.00 1.00 O ATOM 167 CB GLN A 11 8.378 2.832 5.463 1.00 1.00 C ATOM 168 CG GLN A 11 9.491 2.463 4.473 1.00 1.00 C ATOM 169 CD GLN A 11 9.219 1.064 3.919 1.00 1.00 C ATOM 170 OE1 GLN A 11 8.439 0.936 2.882 1.00 1.00 O flip ATOM 171 NE2 GLN A 11 9.716 0.076 4.426 1.00 1.00 N flip ATOM 0 H GLN A 11 7.910 3.356 3.113 1.00 1.00 H new ATOM 0 HA GLN A 11 6.799 1.430 4.834 1.00 1.00 H new ATOM 0 HB2 GLN A 11 8.432 3.893 5.708 1.00 1.00 H new ATOM 0 HB3 GLN A 11 8.509 2.282 6.395 1.00 1.00 H new ATOM 0 HG2 GLN A 11 9.529 3.189 3.661 1.00 1.00 H new ATOM 0 HG3 GLN A 11 10.461 2.490 4.970 1.00 1.00 H new ATOM 0 HE21 GLN A 11 10.327 0.172 5.237 1.00 1.00 H new ATOM 0 HE22 GLN A 11 9.522 -0.848 4.040 1.00 1.00 H new ATOM 180 N ASN A 12 5.980 4.439 5.825 1.00 1.00 N ATOM 181 CA ASN A 12 4.958 5.150 6.636 1.00 1.00 C ATOM 182 C ASN A 12 3.533 4.837 6.189 1.00 1.00 C ATOM 183 O ASN A 12 2.672 4.598 7.012 1.00 1.00 O ATOM 184 CB ASN A 12 5.202 6.660 6.497 1.00 1.00 C ATOM 185 CG ASN A 12 4.611 7.144 5.177 1.00 1.00 C ATOM 186 OD1 ASN A 12 5.042 6.617 4.065 1.00 1.00 O flip ATOM 187 ND2 ASN A 12 3.752 8.004 5.144 1.00 1.00 N flip ATOM 0 H ASN A 12 6.706 5.029 5.419 1.00 1.00 H new ATOM 0 HA ASN A 12 5.055 4.817 7.669 1.00 1.00 H new ATOM 0 HB2 ASN A 12 4.745 7.193 7.331 1.00 1.00 H new ATOM 0 HB3 ASN A 12 6.271 6.872 6.530 1.00 1.00 H new ATOM 0 HD21 ASN A 12 3.412 8.419 6.012 1.00 1.00 H new ATOM 0 HD22 ASN A 12 3.371 8.311 4.249 1.00 1.00 H new ATOM 194 N ALA A 13 3.295 4.840 4.908 1.00 1.00 N ATOM 195 CA ALA A 13 1.918 4.546 4.442 1.00 1.00 C ATOM 196 C ALA A 13 1.597 3.055 4.548 1.00 1.00 C ATOM 197 O ALA A 13 0.488 2.694 4.842 1.00 1.00 O ATOM 198 CB ALA A 13 1.784 4.993 2.993 1.00 1.00 C ATOM 0 H ALA A 13 3.981 5.030 4.178 1.00 1.00 H new ATOM 0 HA ALA A 13 1.214 5.085 5.076 1.00 1.00 H new ATOM 0 HB1 ALA A 13 0.775 4.782 2.639 1.00 1.00 H new ATOM 0 HB2 ALA A 13 1.976 6.064 2.923 1.00 1.00 H new ATOM 0 HB3 ALA A 13 2.505 4.454 2.378 1.00 1.00 H new ATOM 204 N PHE A 14 2.570 2.214 4.292 1.00 1.00 N ATOM 205 CA PHE A 14 2.308 0.744 4.391 1.00 1.00 C ATOM 206 C PHE A 14 1.531 0.465 5.647 1.00 1.00 C ATOM 207 O PHE A 14 0.433 -0.077 5.603 1.00 1.00 O ATOM 208 CB PHE A 14 3.659 0.007 4.452 1.00 1.00 C ATOM 209 CG PHE A 14 3.488 -1.325 5.182 1.00 1.00 C ATOM 210 CD1 PHE A 14 2.636 -2.294 4.683 1.00 1.00 C ATOM 211 CD2 PHE A 14 4.190 -1.584 6.349 1.00 1.00 C ATOM 212 CE1 PHE A 14 2.490 -3.500 5.337 1.00 1.00 C ATOM 213 CE2 PHE A 14 4.040 -2.791 7.000 1.00 1.00 C ATOM 214 CZ PHE A 14 3.191 -3.747 6.494 1.00 1.00 C ATOM 0 H PHE A 14 3.519 2.476 4.023 1.00 1.00 H new ATOM 0 HA PHE A 14 1.737 0.404 3.527 1.00 1.00 H new ATOM 0 HB2 PHE A 14 4.036 -0.166 3.444 1.00 1.00 H new ATOM 0 HB3 PHE A 14 4.397 0.622 4.967 1.00 1.00 H new ATOM 0 HD1 PHE A 14 2.082 -2.105 3.776 1.00 1.00 H new ATOM 0 HD2 PHE A 14 4.858 -0.837 6.751 1.00 1.00 H new ATOM 0 HE1 PHE A 14 1.824 -4.251 4.940 1.00 1.00 H new ATOM 0 HE2 PHE A 14 4.590 -2.985 7.909 1.00 1.00 H new ATOM 0 HZ PHE A 14 3.075 -4.691 7.005 1.00 1.00 H new ATOM 224 N TYR A 15 2.059 0.892 6.752 1.00 1.00 N ATOM 225 CA TYR A 15 1.325 0.634 7.998 1.00 1.00 C ATOM 226 C TYR A 15 -0.123 1.127 7.872 1.00 1.00 C ATOM 227 O TYR A 15 -1.019 0.585 8.486 1.00 1.00 O ATOM 228 CB TYR A 15 2.025 1.368 9.151 1.00 1.00 C ATOM 229 CG TYR A 15 3.355 0.674 9.462 1.00 1.00 C ATOM 230 CD1 TYR A 15 3.374 -0.625 9.929 1.00 1.00 C ATOM 231 CD2 TYR A 15 4.555 1.335 9.278 1.00 1.00 C ATOM 232 CE1 TYR A 15 4.572 -1.252 10.210 1.00 1.00 C ATOM 233 CE2 TYR A 15 5.750 0.707 9.559 1.00 1.00 C ATOM 234 CZ TYR A 15 5.767 -0.592 10.026 1.00 1.00 C ATOM 235 OH TYR A 15 6.964 -1.218 10.310 1.00 1.00 O ATOM 0 H TYR A 15 2.942 1.394 6.841 1.00 1.00 H new ATOM 0 HA TYR A 15 1.312 -0.438 8.195 1.00 1.00 H new ATOM 0 HB2 TYR A 15 2.200 2.409 8.881 1.00 1.00 H new ATOM 0 HB3 TYR A 15 1.388 1.371 10.035 1.00 1.00 H new ATOM 0 HD1 TYR A 15 2.445 -1.155 10.076 1.00 1.00 H new ATOM 0 HD2 TYR A 15 4.557 2.351 8.911 1.00 1.00 H new ATOM 0 HE1 TYR A 15 4.572 -2.268 10.577 1.00 1.00 H new ATOM 0 HE2 TYR A 15 6.680 1.236 9.413 1.00 1.00 H new ATOM 0 HH TYR A 15 7.706 -0.606 10.121 1.00 1.00 H new ATOM 245 N GLU A 16 -0.323 2.152 7.073 1.00 1.00 N ATOM 246 CA GLU A 16 -1.706 2.684 6.898 1.00 1.00 C ATOM 247 C GLU A 16 -2.500 1.838 5.902 1.00 1.00 C ATOM 248 O GLU A 16 -3.657 1.545 6.129 1.00 1.00 O ATOM 249 CB GLU A 16 -1.634 4.127 6.380 1.00 1.00 C ATOM 250 CG GLU A 16 -0.732 4.944 7.301 1.00 1.00 C ATOM 251 CD GLU A 16 -0.885 6.428 6.967 1.00 1.00 C ATOM 252 OE1 GLU A 16 -0.749 6.736 5.795 1.00 1.00 O ATOM 253 OE2 GLU A 16 -1.135 7.173 7.902 1.00 1.00 O ATOM 0 H GLU A 16 0.403 2.634 6.543 1.00 1.00 H new ATOM 0 HA GLU A 16 -2.210 2.650 7.864 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -1.244 4.142 5.362 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -2.632 4.565 6.346 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -0.997 4.764 8.343 1.00 1.00 H new ATOM 0 HG3 GLU A 16 0.307 4.637 7.179 1.00 1.00 H new ATOM 260 N ILE A 17 -1.868 1.468 4.808 1.00 1.00 N ATOM 261 CA ILE A 17 -2.581 0.639 3.798 1.00 1.00 C ATOM 262 C ILE A 17 -3.364 -0.455 4.504 1.00 1.00 C ATOM 263 O ILE A 17 -4.405 -0.884 4.045 1.00 1.00 O ATOM 264 CB ILE A 17 -1.530 -0.048 2.888 1.00 1.00 C ATOM 265 CG1 ILE A 17 -0.660 0.971 2.174 1.00 1.00 C ATOM 266 CG2 ILE A 17 -2.236 -0.880 1.798 1.00 1.00 C ATOM 267 CD1 ILE A 17 0.315 0.207 1.248 1.00 1.00 C ATOM 0 H ILE A 17 -0.902 1.704 4.580 1.00 1.00 H new ATOM 0 HA ILE A 17 -3.251 1.272 3.217 1.00 1.00 H new ATOM 0 HB ILE A 17 -0.915 -0.676 3.533 1.00 1.00 H new ATOM 0 HG12 ILE A 17 -1.276 1.658 1.594 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -0.107 1.572 2.896 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -1.489 -1.358 1.164 1.00 1.00 H new ATOM 0 HG22 ILE A 17 -2.856 -1.644 2.268 1.00 1.00 H new ATOM 0 HG23 ILE A 17 -2.863 -0.227 1.191 1.00 1.00 H new ATOM 0 HD11 ILE A 17 0.952 0.919 0.723 1.00 1.00 H new ATOM 0 HD12 ILE A 17 0.934 -0.462 1.845 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -0.253 -0.375 0.522 1.00 1.00 H new ATOM 279 N LEU A 18 -2.856 -0.873 5.621 1.00 1.00 N ATOM 280 CA LEU A 18 -3.549 -1.952 6.368 1.00 1.00 C ATOM 281 C LEU A 18 -4.653 -1.426 7.258 1.00 1.00 C ATOM 282 O LEU A 18 -4.853 -1.905 8.357 1.00 1.00 O ATOM 283 CB LEU A 18 -2.504 -2.667 7.224 1.00 1.00 C ATOM 284 CG LEU A 18 -1.738 -3.661 6.346 1.00 1.00 C ATOM 285 CD1 LEU A 18 -2.686 -4.789 5.861 1.00 1.00 C ATOM 286 CD2 LEU A 18 -1.162 -2.892 5.156 1.00 1.00 C ATOM 0 H LEU A 18 -2.000 -0.520 6.048 1.00 1.00 H new ATOM 0 HA LEU A 18 -4.017 -2.627 5.651 1.00 1.00 H new ATOM 0 HB2 LEU A 18 -1.816 -1.943 7.662 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -2.987 -3.188 8.051 1.00 1.00 H new ATOM 0 HG LEU A 18 -0.932 -4.127 6.913 1.00 1.00 H new ATOM 0 HD11 LEU A 18 -2.130 -5.489 5.238 1.00 1.00 H new ATOM 0 HD12 LEU A 18 -3.095 -5.316 6.723 1.00 1.00 H new ATOM 0 HD13 LEU A 18 -3.501 -4.355 5.281 1.00 1.00 H new ATOM 0 HD21 LEU A 18 -0.610 -3.577 4.513 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -1.974 -2.437 4.589 1.00 1.00 H new ATOM 0 HD23 LEU A 18 -0.490 -2.113 5.517 1.00 1.00 H new ATOM 298 N HIS A 19 -5.346 -0.453 6.781 1.00 1.00 N ATOM 299 CA HIS A 19 -6.449 0.099 7.606 1.00 1.00 C ATOM 300 C HIS A 19 -7.624 0.605 6.764 1.00 1.00 C ATOM 301 O HIS A 19 -8.636 0.993 7.306 1.00 1.00 O ATOM 302 CB HIS A 19 -5.876 1.227 8.460 1.00 1.00 C ATOM 303 CG HIS A 19 -5.082 0.593 9.590 1.00 1.00 C ATOM 304 ND1 HIS A 19 -5.479 -0.358 10.286 1.00 1.00 N ATOM 305 CD2 HIS A 19 -3.807 0.866 10.042 1.00 1.00 C ATOM 306 CE1 HIS A 19 -4.600 -0.714 11.119 1.00 1.00 C ATOM 307 NE2 HIS A 19 -3.495 0.014 11.039 1.00 1.00 N ATOM 0 H HIS A 19 -5.207 -0.015 5.870 1.00 1.00 H new ATOM 0 HA HIS A 19 -6.851 -0.699 8.231 1.00 1.00 H new ATOM 0 HB2 HIS A 19 -5.237 1.874 7.860 1.00 1.00 H new ATOM 0 HB3 HIS A 19 -6.677 1.850 8.858 1.00 1.00 H new ATOM 0 HD2 HIS A 19 -3.160 1.641 9.657 1.00 1.00 H new ATOM 0 HE1 HIS A 19 -4.734 -1.524 11.821 1.00 1.00 H new ATOM 0 HE2 HIS A 19 -2.637 -0.053 11.586 1.00 1.00 H new ATOM 315 N LEU A 20 -7.483 0.581 5.459 1.00 1.00 N ATOM 316 CA LEU A 20 -8.607 1.055 4.599 1.00 1.00 C ATOM 317 C LEU A 20 -9.947 0.430 5.113 1.00 1.00 C ATOM 318 O LEU A 20 -10.189 -0.746 4.904 1.00 1.00 O ATOM 319 CB LEU A 20 -8.320 0.564 3.165 1.00 1.00 C ATOM 320 CG LEU A 20 -6.973 1.154 2.701 1.00 1.00 C ATOM 321 CD1 LEU A 20 -6.631 0.640 1.300 1.00 1.00 C ATOM 322 CD2 LEU A 20 -7.067 2.680 2.655 1.00 1.00 C ATOM 0 H LEU A 20 -6.652 0.259 4.962 1.00 1.00 H new ATOM 0 HA LEU A 20 -8.694 2.141 4.625 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -8.285 -0.525 3.138 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -9.120 0.874 2.492 1.00 1.00 H new ATOM 0 HG LEU A 20 -6.197 0.849 3.403 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -5.678 1.062 0.980 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -6.558 -0.447 1.319 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -7.413 0.939 0.602 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -6.113 3.094 2.327 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -7.850 2.975 1.957 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -7.304 3.060 3.649 1.00 1.00 H new ATOM 334 N PRO A 21 -10.819 1.234 5.762 1.00 1.00 N ATOM 335 CA PRO A 21 -12.094 0.707 6.302 1.00 1.00 C ATOM 336 C PRO A 21 -13.077 0.198 5.246 1.00 1.00 C ATOM 337 O PRO A 21 -13.886 -0.663 5.535 1.00 1.00 O ATOM 338 CB PRO A 21 -12.743 1.908 7.022 1.00 1.00 C ATOM 339 CG PRO A 21 -11.843 3.151 6.783 1.00 1.00 C ATOM 340 CD PRO A 21 -10.628 2.696 5.964 1.00 1.00 C ATOM 0 HA PRO A 21 -11.876 -0.154 6.934 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -13.748 2.085 6.639 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -12.840 1.706 8.089 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -12.395 3.926 6.251 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -11.525 3.581 7.733 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -10.576 3.222 5.011 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -9.697 2.902 6.492 1.00 1.00 H new ATOM 348 N ASN A 22 -13.000 0.714 4.056 1.00 1.00 N ATOM 349 CA ASN A 22 -13.958 0.254 3.006 1.00 1.00 C ATOM 350 C ASN A 22 -13.393 -0.853 2.106 1.00 1.00 C ATOM 351 O ASN A 22 -13.884 -1.050 1.011 1.00 1.00 O ATOM 352 CB ASN A 22 -14.305 1.477 2.135 1.00 1.00 C ATOM 353 CG ASN A 22 -13.087 2.400 2.051 1.00 1.00 C ATOM 354 OD1 ASN A 22 -13.170 3.608 2.536 1.00 1.00 O flip ATOM 355 ND2 ASN A 22 -12.050 2.028 1.545 1.00 1.00 N flip ATOM 0 H ASN A 22 -12.329 1.423 3.762 1.00 1.00 H new ATOM 0 HA ASN A 22 -14.830 -0.169 3.505 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -14.601 1.155 1.137 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -15.153 2.013 2.561 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -11.978 1.085 1.164 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -11.249 2.658 1.501 1.00 1.00 H new ATOM 362 N LEU A 23 -12.390 -1.573 2.571 1.00 1.00 N ATOM 363 CA LEU A 23 -11.824 -2.653 1.704 1.00 1.00 C ATOM 364 C LEU A 23 -11.472 -3.929 2.455 1.00 1.00 C ATOM 365 O LEU A 23 -11.311 -3.934 3.661 1.00 1.00 O ATOM 366 CB LEU A 23 -10.530 -2.107 1.138 1.00 1.00 C ATOM 367 CG LEU A 23 -10.822 -1.299 -0.125 1.00 1.00 C ATOM 368 CD1 LEU A 23 -9.964 -0.035 -0.145 1.00 1.00 C ATOM 369 CD2 LEU A 23 -10.472 -2.160 -1.331 1.00 1.00 C ATOM 0 H LEU A 23 -11.953 -1.461 3.486 1.00 1.00 H new ATOM 0 HA LEU A 23 -12.577 -2.913 0.960 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -10.035 -1.478 1.878 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -9.848 -2.926 0.908 1.00 1.00 H new ATOM 0 HG LEU A 23 -11.874 -1.013 -0.148 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -10.178 0.536 -1.049 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -10.191 0.573 0.731 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -8.910 -0.311 -0.131 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -10.673 -1.603 -2.246 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -9.416 -2.427 -1.293 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -11.077 -3.067 -1.318 1.00 1.00 H new ATOM 381 N ASN A 24 -11.360 -5.003 1.695 1.00 1.00 N ATOM 382 CA ASN A 24 -11.004 -6.306 2.300 1.00 1.00 C ATOM 383 C ASN A 24 -9.528 -6.559 2.062 1.00 1.00 C ATOM 384 O ASN A 24 -8.971 -6.174 1.037 1.00 1.00 O ATOM 385 CB ASN A 24 -11.803 -7.414 1.657 1.00 1.00 C ATOM 386 CG ASN A 24 -11.867 -7.169 0.165 1.00 1.00 C ATOM 387 OD1 ASN A 24 -12.385 -6.169 -0.294 1.00 1.00 O ATOM 388 ND2 ASN A 24 -11.355 -8.043 -0.629 1.00 1.00 N ATOM 0 H ASN A 24 -11.502 -5.018 0.685 1.00 1.00 H new ATOM 0 HA ASN A 24 -11.223 -6.284 3.367 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -11.341 -8.380 1.861 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -12.808 -7.447 2.077 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -11.385 -7.895 -1.638 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -10.919 -8.884 -0.249 1.00 1.00 H new ATOM 395 N GLU A 25 -8.923 -7.264 2.947 1.00 1.00 N ATOM 396 CA GLU A 25 -7.485 -7.499 2.762 1.00 1.00 C ATOM 397 C GLU A 25 -7.151 -8.526 1.701 1.00 1.00 C ATOM 398 O GLU A 25 -5.994 -8.729 1.399 1.00 1.00 O ATOM 399 CB GLU A 25 -6.855 -7.889 4.088 1.00 1.00 C ATOM 400 CG GLU A 25 -5.864 -6.783 4.465 1.00 1.00 C ATOM 401 CD GLU A 25 -5.201 -7.125 5.801 1.00 1.00 C ATOM 402 OE1 GLU A 25 -5.780 -6.745 6.807 1.00 1.00 O ATOM 403 OE2 GLU A 25 -4.157 -7.753 5.741 1.00 1.00 O ATOM 0 H GLU A 25 -9.347 -7.682 3.775 1.00 1.00 H new ATOM 0 HA GLU A 25 -7.068 -6.559 2.400 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -7.618 -8.000 4.858 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -6.346 -8.849 4.004 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -5.107 -6.678 3.688 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -6.381 -5.826 4.538 1.00 1.00 H new ATOM 410 N GLU A 26 -8.120 -9.168 1.147 1.00 1.00 N ATOM 411 CA GLU A 26 -7.758 -10.146 0.108 1.00 1.00 C ATOM 412 C GLU A 26 -6.959 -9.400 -0.958 1.00 1.00 C ATOM 413 O GLU A 26 -5.776 -9.652 -1.169 1.00 1.00 O ATOM 414 CB GLU A 26 -9.045 -10.722 -0.511 1.00 1.00 C ATOM 415 CG GLU A 26 -9.132 -12.219 -0.208 1.00 1.00 C ATOM 416 CD GLU A 26 -10.537 -12.723 -0.545 1.00 1.00 C ATOM 417 OE1 GLU A 26 -11.235 -11.972 -1.207 1.00 1.00 O ATOM 418 OE2 GLU A 26 -10.833 -13.828 -0.123 1.00 1.00 O ATOM 0 H GLU A 26 -9.113 -9.066 1.356 1.00 1.00 H new ATOM 0 HA GLU A 26 -7.171 -10.965 0.523 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -9.917 -10.207 -0.108 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -9.048 -10.558 -1.589 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -8.389 -12.763 -0.790 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -8.910 -12.402 0.843 1.00 1.00 H new ATOM 425 N GLN A 27 -7.604 -8.450 -1.580 1.00 1.00 N ATOM 426 CA GLN A 27 -6.907 -7.673 -2.621 1.00 1.00 C ATOM 427 C GLN A 27 -5.786 -6.828 -2.013 1.00 1.00 C ATOM 428 O GLN A 27 -4.700 -6.737 -2.591 1.00 1.00 O ATOM 429 CB GLN A 27 -7.905 -6.742 -3.353 1.00 1.00 C ATOM 430 CG GLN A 27 -8.839 -6.038 -2.356 1.00 1.00 C ATOM 431 CD GLN A 27 -10.289 -6.288 -2.781 1.00 1.00 C ATOM 432 OE1 GLN A 27 -10.663 -7.389 -3.139 1.00 1.00 O ATOM 433 NE2 GLN A 27 -11.135 -5.295 -2.766 1.00 1.00 N ATOM 0 H GLN A 27 -8.574 -8.187 -1.408 1.00 1.00 H new ATOM 0 HA GLN A 27 -6.474 -8.378 -3.331 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -7.356 -5.997 -3.930 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -8.496 -7.322 -4.062 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -8.670 -6.417 -1.348 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -8.631 -4.968 -2.334 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -10.829 -4.369 -2.467 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -12.102 -5.445 -3.053 1.00 1.00 H new ATOM 442 N ARG A 28 -6.018 -6.209 -0.863 1.00 1.00 N ATOM 443 CA ARG A 28 -4.888 -5.405 -0.325 1.00 1.00 C ATOM 444 C ARG A 28 -3.726 -6.299 -0.044 1.00 1.00 C ATOM 445 O ARG A 28 -2.654 -6.068 -0.561 1.00 1.00 O ATOM 446 CB ARG A 28 -5.267 -4.654 0.957 1.00 1.00 C ATOM 447 CG ARG A 28 -6.616 -3.976 0.771 1.00 1.00 C ATOM 448 CD ARG A 28 -6.895 -3.074 1.973 1.00 1.00 C ATOM 449 NE ARG A 28 -7.125 -3.924 3.170 1.00 1.00 N ATOM 450 CZ ARG A 28 -7.562 -3.375 4.271 1.00 1.00 C ATOM 451 NH1 ARG A 28 -6.987 -2.285 4.703 1.00 1.00 N ATOM 452 NH2 ARG A 28 -8.560 -3.932 4.900 1.00 1.00 N ATOM 0 H ARG A 28 -6.880 -6.228 -0.318 1.00 1.00 H new ATOM 0 HA ARG A 28 -4.627 -4.664 -1.081 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -5.310 -5.347 1.797 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -4.505 -3.912 1.194 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -6.618 -3.389 -0.147 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -7.402 -4.725 0.673 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -6.054 -2.403 2.144 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -7.767 -2.449 1.781 1.00 1.00 H new ATOM 0 HE ARG A 28 -6.943 -4.927 3.132 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -6.211 -1.877 4.182 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -7.314 -1.841 5.561 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -8.985 -4.782 4.530 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -8.915 -3.517 5.762 1.00 1.00 H new ATOM 466 N ASN A 29 -3.939 -7.303 0.770 1.00 1.00 N ATOM 467 CA ASN A 29 -2.827 -8.233 1.072 1.00 1.00 C ATOM 468 C ASN A 29 -2.051 -8.485 -0.206 1.00 1.00 C ATOM 469 O ASN A 29 -0.875 -8.745 -0.182 1.00 1.00 O ATOM 470 CB ASN A 29 -3.418 -9.558 1.576 1.00 1.00 C ATOM 471 CG ASN A 29 -2.282 -10.525 1.903 1.00 1.00 C ATOM 472 OD1 ASN A 29 -1.117 -10.179 1.846 1.00 1.00 O ATOM 473 ND2 ASN A 29 -2.574 -11.748 2.253 1.00 1.00 N ATOM 0 H ASN A 29 -4.826 -7.511 1.230 1.00 1.00 H new ATOM 0 HA ASN A 29 -2.168 -7.810 1.831 1.00 1.00 H new ATOM 0 HB2 ASN A 29 -4.029 -9.384 2.462 1.00 1.00 H new ATOM 0 HB3 ASN A 29 -4.072 -9.990 0.818 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -1.828 -12.406 2.477 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -3.548 -12.045 2.303 1.00 1.00 H new ATOM 480 N GLY A 30 -2.754 -8.370 -1.316 1.00 1.00 N ATOM 481 CA GLY A 30 -2.108 -8.587 -2.635 1.00 1.00 C ATOM 482 C GLY A 30 -1.031 -7.520 -2.945 1.00 1.00 C ATOM 483 O GLY A 30 0.159 -7.834 -2.994 1.00 1.00 O ATOM 0 H GLY A 30 -3.746 -8.135 -1.353 1.00 1.00 H new ATOM 0 HA2 GLY A 30 -1.652 -9.577 -2.655 1.00 1.00 H new ATOM 0 HA3 GLY A 30 -2.868 -8.570 -3.416 1.00 1.00 H new ATOM 487 N PHE A 31 -1.424 -6.268 -3.136 1.00 1.00 N ATOM 488 CA PHE A 31 -0.351 -5.284 -3.450 1.00 1.00 C ATOM 489 C PHE A 31 0.726 -5.274 -2.391 1.00 1.00 C ATOM 490 O PHE A 31 1.904 -5.306 -2.701 1.00 1.00 O ATOM 491 CB PHE A 31 -0.857 -3.822 -3.622 1.00 1.00 C ATOM 492 CG PHE A 31 -2.142 -3.489 -2.917 1.00 1.00 C ATOM 493 CD1 PHE A 31 -2.114 -3.053 -1.619 1.00 1.00 C ATOM 494 CD2 PHE A 31 -3.320 -3.397 -3.625 1.00 1.00 C ATOM 495 CE1 PHE A 31 -3.238 -2.522 -1.039 1.00 1.00 C ATOM 496 CE2 PHE A 31 -4.440 -2.857 -3.042 1.00 1.00 C ATOM 497 CZ PHE A 31 -4.392 -2.419 -1.744 1.00 1.00 C ATOM 0 H PHE A 31 -2.379 -5.914 -3.090 1.00 1.00 H new ATOM 0 HA PHE A 31 0.046 -5.624 -4.406 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -0.082 -3.144 -3.264 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -0.986 -3.625 -4.686 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -1.200 -3.128 -1.048 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -3.363 -3.752 -4.644 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -3.204 -2.184 -0.014 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -5.358 -2.777 -3.606 1.00 1.00 H new ATOM 0 HZ PHE A 31 -5.271 -1.993 -1.284 1.00 1.00 H new ATOM 507 N ILE A 32 0.334 -5.253 -1.164 1.00 1.00 N ATOM 508 CA ILE A 32 1.367 -5.231 -0.124 1.00 1.00 C ATOM 509 C ILE A 32 2.087 -6.547 -0.028 1.00 1.00 C ATOM 510 O ILE A 32 3.233 -6.586 0.368 1.00 1.00 O ATOM 511 CB ILE A 32 0.754 -4.889 1.214 1.00 1.00 C ATOM 512 CG1 ILE A 32 -0.723 -5.241 1.222 1.00 1.00 C ATOM 513 CG2 ILE A 32 0.920 -3.380 1.394 1.00 1.00 C ATOM 514 CD1 ILE A 32 -1.287 -5.067 2.630 1.00 1.00 C ATOM 0 H ILE A 32 -0.634 -5.250 -0.842 1.00 1.00 H new ATOM 0 HA ILE A 32 2.093 -4.467 -0.400 1.00 1.00 H new ATOM 0 HB ILE A 32 1.237 -5.446 2.017 1.00 1.00 H new ATOM 0 HG12 ILE A 32 -1.262 -4.602 0.522 1.00 1.00 H new ATOM 0 HG13 ILE A 32 -0.863 -6.269 0.888 1.00 1.00 H new ATOM 0 HG21 ILE A 32 0.492 -3.078 2.350 1.00 1.00 H new ATOM 0 HG22 ILE A 32 1.980 -3.126 1.375 1.00 1.00 H new ATOM 0 HG23 ILE A 32 0.407 -2.859 0.586 1.00 1.00 H new ATOM 0 HD11 ILE A 32 -2.347 -5.321 2.631 1.00 1.00 H new ATOM 0 HD12 ILE A 32 -0.756 -5.724 3.318 1.00 1.00 H new ATOM 0 HD13 ILE A 32 -1.161 -4.032 2.947 1.00 1.00 H new ATOM 526 N GLN A 33 1.435 -7.613 -0.376 1.00 1.00 N ATOM 527 CA GLN A 33 2.151 -8.884 -0.285 1.00 1.00 C ATOM 528 C GLN A 33 3.433 -8.737 -1.056 1.00 1.00 C ATOM 529 O GLN A 33 4.430 -9.342 -0.731 1.00 1.00 O ATOM 530 CB GLN A 33 1.293 -10.032 -0.890 1.00 1.00 C ATOM 531 CG GLN A 33 2.197 -11.122 -1.489 1.00 1.00 C ATOM 532 CD GLN A 33 1.342 -12.348 -1.829 1.00 1.00 C ATOM 533 OE1 GLN A 33 0.675 -12.390 -2.844 1.00 1.00 O ATOM 534 NE2 GLN A 33 1.330 -13.363 -1.009 1.00 1.00 N ATOM 0 H GLN A 33 0.471 -7.653 -0.707 1.00 1.00 H new ATOM 0 HA GLN A 33 2.355 -9.132 0.757 1.00 1.00 H new ATOM 0 HB2 GLN A 33 0.656 -10.463 -0.118 1.00 1.00 H new ATOM 0 HB3 GLN A 33 0.634 -9.634 -1.661 1.00 1.00 H new ATOM 0 HG2 GLN A 33 2.693 -10.749 -2.385 1.00 1.00 H new ATOM 0 HG3 GLN A 33 2.980 -11.393 -0.780 1.00 1.00 H new ATOM 0 HE21 GLN A 33 1.887 -13.335 -0.155 1.00 1.00 H new ATOM 0 HE22 GLN A 33 0.764 -14.184 -1.222 1.00 1.00 H new ATOM 543 N SER A 34 3.388 -7.909 -2.072 1.00 1.00 N ATOM 544 CA SER A 34 4.611 -7.701 -2.876 1.00 1.00 C ATOM 545 C SER A 34 5.512 -6.647 -2.212 1.00 1.00 C ATOM 546 O SER A 34 6.716 -6.690 -2.348 1.00 1.00 O ATOM 547 CB SER A 34 4.202 -7.232 -4.278 1.00 1.00 C ATOM 548 OG SER A 34 4.235 -8.418 -5.060 1.00 1.00 O ATOM 0 H SER A 34 2.567 -7.381 -2.368 1.00 1.00 H new ATOM 0 HA SER A 34 5.169 -8.635 -2.944 1.00 1.00 H new ATOM 0 HB2 SER A 34 3.209 -6.783 -4.275 1.00 1.00 H new ATOM 0 HB3 SER A 34 4.890 -6.480 -4.664 1.00 1.00 H new ATOM 0 HG SER A 34 3.982 -8.208 -5.983 1.00 1.00 H new ATOM 554 N LEU A 35 4.910 -5.711 -1.505 1.00 1.00 N ATOM 555 CA LEU A 35 5.712 -4.670 -0.832 1.00 1.00 C ATOM 556 C LEU A 35 6.781 -5.311 0.049 1.00 1.00 C ATOM 557 O LEU A 35 7.904 -4.848 0.098 1.00 1.00 O ATOM 558 CB LEU A 35 4.737 -3.842 0.039 1.00 1.00 C ATOM 559 CG LEU A 35 5.497 -2.869 0.923 1.00 1.00 C ATOM 560 CD1 LEU A 35 4.745 -1.517 0.985 1.00 1.00 C ATOM 561 CD2 LEU A 35 5.580 -3.424 2.351 1.00 1.00 C ATOM 0 H LEU A 35 3.901 -5.636 -1.375 1.00 1.00 H new ATOM 0 HA LEU A 35 6.217 -4.039 -1.563 1.00 1.00 H new ATOM 0 HB2 LEU A 35 4.046 -3.294 -0.601 1.00 1.00 H new ATOM 0 HB3 LEU A 35 4.138 -4.510 0.657 1.00 1.00 H new ATOM 0 HG LEU A 35 6.495 -2.731 0.507 1.00 1.00 H new ATOM 0 HD11 LEU A 35 5.295 -0.823 1.621 1.00 1.00 H new ATOM 0 HD12 LEU A 35 4.661 -1.101 -0.019 1.00 1.00 H new ATOM 0 HD13 LEU A 35 3.748 -1.674 1.397 1.00 1.00 H new ATOM 0 HD21 LEU A 35 6.126 -2.723 2.983 1.00 1.00 H new ATOM 0 HD22 LEU A 35 4.574 -3.561 2.747 1.00 1.00 H new ATOM 0 HD23 LEU A 35 6.099 -4.382 2.339 1.00 1.00 H new ATOM 573 N LYS A 36 6.415 -6.371 0.730 1.00 1.00 N ATOM 574 CA LYS A 36 7.409 -7.050 1.608 1.00 1.00 C ATOM 575 C LYS A 36 8.169 -8.138 0.847 1.00 1.00 C ATOM 576 O LYS A 36 9.382 -8.192 0.905 1.00 1.00 O ATOM 577 CB LYS A 36 6.690 -7.695 2.813 1.00 1.00 C ATOM 578 CG LYS A 36 5.326 -8.265 2.388 1.00 1.00 C ATOM 579 CD LYS A 36 4.204 -7.321 2.854 1.00 1.00 C ATOM 580 CE LYS A 36 4.129 -7.310 4.393 1.00 1.00 C ATOM 581 NZ LYS A 36 4.753 -6.070 4.936 1.00 1.00 N ATOM 0 H LYS A 36 5.484 -6.788 0.715 1.00 1.00 H new ATOM 0 HA LYS A 36 8.120 -6.298 1.950 1.00 1.00 H new ATOM 0 HB2 LYS A 36 7.309 -8.490 3.229 1.00 1.00 H new ATOM 0 HB3 LYS A 36 6.551 -6.954 3.600 1.00 1.00 H new ATOM 0 HG2 LYS A 36 5.291 -8.381 1.305 1.00 1.00 H new ATOM 0 HG3 LYS A 36 5.184 -9.256 2.820 1.00 1.00 H new ATOM 0 HD2 LYS A 36 4.389 -6.313 2.484 1.00 1.00 H new ATOM 0 HD3 LYS A 36 3.250 -7.644 2.438 1.00 1.00 H new ATOM 0 HE2 LYS A 36 3.089 -7.371 4.713 1.00 1.00 H new ATOM 0 HE3 LYS A 36 4.638 -8.186 4.794 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 5.491 -6.325 5.623 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 5.177 -5.525 4.158 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 4.027 -5.493 5.407 1.00 1.00 H new ATOM 595 N ASP A 37 7.454 -8.999 0.156 1.00 1.00 N ATOM 596 CA ASP A 37 8.160 -10.072 -0.603 1.00 1.00 C ATOM 597 C ASP A 37 8.899 -9.487 -1.802 1.00 1.00 C ATOM 598 O ASP A 37 9.723 -10.145 -2.410 1.00 1.00 O ATOM 599 CB ASP A 37 7.126 -11.085 -1.117 1.00 1.00 C ATOM 600 CG ASP A 37 7.732 -11.878 -2.278 1.00 1.00 C ATOM 601 OD1 ASP A 37 8.834 -12.364 -2.087 1.00 1.00 O ATOM 602 OD2 ASP A 37 7.057 -11.952 -3.291 1.00 1.00 O ATOM 0 H ASP A 37 6.436 -9.003 0.088 1.00 1.00 H new ATOM 0 HA ASP A 37 8.878 -10.553 0.061 1.00 1.00 H new ATOM 0 HB2 ASP A 37 6.831 -11.761 -0.314 1.00 1.00 H new ATOM 0 HB3 ASP A 37 6.225 -10.568 -1.446 1.00 1.00 H new ATOM 607 N ASP A 38 8.592 -8.257 -2.118 1.00 1.00 N ATOM 608 CA ASP A 38 9.262 -7.608 -3.273 1.00 1.00 C ATOM 609 C ASP A 38 9.306 -6.093 -3.078 1.00 1.00 C ATOM 610 O ASP A 38 8.553 -5.366 -3.697 1.00 1.00 O ATOM 611 CB ASP A 38 8.441 -7.911 -4.538 1.00 1.00 C ATOM 612 CG ASP A 38 8.507 -9.410 -4.838 1.00 1.00 C ATOM 613 OD1 ASP A 38 9.615 -9.920 -4.805 1.00 1.00 O ATOM 614 OD2 ASP A 38 7.445 -9.959 -5.082 1.00 1.00 O ATOM 0 H ASP A 38 7.910 -7.679 -1.627 1.00 1.00 H new ATOM 0 HA ASP A 38 10.280 -7.988 -3.362 1.00 1.00 H new ATOM 0 HB2 ASP A 38 7.405 -7.602 -4.396 1.00 1.00 H new ATOM 0 HB3 ASP A 38 8.830 -7.342 -5.383 1.00 1.00 H new ATOM 619 N PRO A 39 10.192 -5.639 -2.207 1.00 1.00 N ATOM 620 CA PRO A 39 10.328 -4.207 -1.930 1.00 1.00 C ATOM 621 C PRO A 39 10.857 -3.435 -3.146 1.00 1.00 C ATOM 622 O PRO A 39 11.481 -2.402 -3.004 1.00 1.00 O ATOM 623 CB PRO A 39 11.348 -4.123 -0.773 1.00 1.00 C ATOM 624 CG PRO A 39 11.785 -5.577 -0.430 1.00 1.00 C ATOM 625 CD PRO A 39 11.093 -6.512 -1.434 1.00 1.00 C ATOM 0 HA PRO A 39 9.363 -3.763 -1.684 1.00 1.00 H new ATOM 0 HB2 PRO A 39 12.210 -3.522 -1.064 1.00 1.00 H new ATOM 0 HB3 PRO A 39 10.902 -3.641 0.097 1.00 1.00 H new ATOM 0 HG2 PRO A 39 12.868 -5.678 -0.495 1.00 1.00 H new ATOM 0 HG3 PRO A 39 11.502 -5.832 0.591 1.00 1.00 H new ATOM 0 HD2 PRO A 39 11.819 -7.003 -2.082 1.00 1.00 H new ATOM 0 HD3 PRO A 39 10.538 -7.299 -0.923 1.00 1.00 H new ATOM 633 N SER A 40 10.622 -3.963 -4.312 1.00 1.00 N ATOM 634 CA SER A 40 11.098 -3.274 -5.532 1.00 1.00 C ATOM 635 C SER A 40 10.031 -2.344 -6.109 1.00 1.00 C ATOM 636 O SER A 40 10.277 -1.649 -7.075 1.00 1.00 O ATOM 637 CB SER A 40 11.427 -4.339 -6.577 1.00 1.00 C ATOM 638 OG SER A 40 12.840 -4.451 -6.526 1.00 1.00 O ATOM 0 H SER A 40 10.123 -4.838 -4.469 1.00 1.00 H new ATOM 0 HA SER A 40 11.970 -2.673 -5.275 1.00 1.00 H new ATOM 0 HB2 SER A 40 10.944 -5.288 -6.345 1.00 1.00 H new ATOM 0 HB3 SER A 40 11.086 -4.042 -7.569 1.00 1.00 H new ATOM 0 HG SER A 40 13.138 -5.124 -7.173 1.00 1.00 H new ATOM 644 N GLN A 41 8.860 -2.342 -5.517 1.00 1.00 N ATOM 645 CA GLN A 41 7.790 -1.457 -6.051 1.00 1.00 C ATOM 646 C GLN A 41 6.833 -0.970 -4.955 1.00 1.00 C ATOM 647 O GLN A 41 5.764 -0.476 -5.250 1.00 1.00 O ATOM 648 CB GLN A 41 6.984 -2.264 -7.087 1.00 1.00 C ATOM 649 CG GLN A 41 7.470 -1.918 -8.496 1.00 1.00 C ATOM 650 CD GLN A 41 6.670 -2.736 -9.517 1.00 1.00 C ATOM 651 OE1 GLN A 41 5.845 -3.556 -9.164 1.00 1.00 O ATOM 652 NE2 GLN A 41 6.885 -2.548 -10.792 1.00 1.00 N ATOM 0 H GLN A 41 8.607 -2.904 -4.704 1.00 1.00 H new ATOM 0 HA GLN A 41 8.259 -0.577 -6.491 1.00 1.00 H new ATOM 0 HB2 GLN A 41 7.101 -3.332 -6.903 1.00 1.00 H new ATOM 0 HB3 GLN A 41 5.922 -2.039 -6.992 1.00 1.00 H new ATOM 0 HG2 GLN A 41 7.344 -0.852 -8.686 1.00 1.00 H new ATOM 0 HG3 GLN A 41 8.534 -2.135 -8.591 1.00 1.00 H new ATOM 0 HE21 GLN A 41 7.575 -1.862 -11.097 1.00 1.00 H new ATOM 0 HE22 GLN A 41 6.362 -3.087 -11.482 1.00 1.00 H new ATOM 661 N SER A 42 7.225 -1.106 -3.716 1.00 1.00 N ATOM 662 CA SER A 42 6.321 -0.645 -2.624 1.00 1.00 C ATOM 663 C SER A 42 5.774 0.744 -2.927 1.00 1.00 C ATOM 664 O SER A 42 4.584 0.938 -3.043 1.00 1.00 O ATOM 665 CB SER A 42 7.117 -0.561 -1.325 1.00 1.00 C ATOM 666 OG SER A 42 8.106 0.415 -1.589 1.00 1.00 O ATOM 0 H SER A 42 8.114 -1.508 -3.417 1.00 1.00 H new ATOM 0 HA SER A 42 5.495 -1.351 -2.538 1.00 1.00 H new ATOM 0 HB2 SER A 42 6.483 -0.270 -0.487 1.00 1.00 H new ATOM 0 HB3 SER A 42 7.563 -1.522 -1.068 1.00 1.00 H new ATOM 0 HG SER A 42 8.960 0.129 -1.202 1.00 1.00 H new ATOM 672 N ALA A 43 6.670 1.685 -3.043 1.00 1.00 N ATOM 673 CA ALA A 43 6.260 3.078 -3.336 1.00 1.00 C ATOM 674 C ALA A 43 5.147 3.119 -4.379 1.00 1.00 C ATOM 675 O ALA A 43 4.202 3.879 -4.268 1.00 1.00 O ATOM 676 CB ALA A 43 7.491 3.804 -3.886 1.00 1.00 C ATOM 0 H ALA A 43 7.675 1.543 -2.946 1.00 1.00 H new ATOM 0 HA ALA A 43 5.883 3.550 -2.429 1.00 1.00 H new ATOM 0 HB1 ALA A 43 7.231 4.837 -4.116 1.00 1.00 H new ATOM 0 HB2 ALA A 43 8.287 3.787 -3.141 1.00 1.00 H new ATOM 0 HB3 ALA A 43 7.832 3.305 -4.793 1.00 1.00 H new ATOM 682 N ASN A 44 5.275 2.304 -5.373 1.00 1.00 N ATOM 683 CA ASN A 44 4.236 2.284 -6.418 1.00 1.00 C ATOM 684 C ASN A 44 2.980 1.595 -5.881 1.00 1.00 C ATOM 685 O ASN A 44 1.889 2.111 -6.007 1.00 1.00 O ATOM 686 CB ASN A 44 4.798 1.524 -7.620 1.00 1.00 C ATOM 687 CG ASN A 44 3.648 0.943 -8.453 1.00 1.00 C ATOM 688 OD1 ASN A 44 2.931 1.658 -9.128 1.00 1.00 O ATOM 689 ND2 ASN A 44 3.439 -0.346 -8.436 1.00 1.00 N ATOM 0 H ASN A 44 6.050 1.654 -5.507 1.00 1.00 H new ATOM 0 HA ASN A 44 3.963 3.297 -6.715 1.00 1.00 H new ATOM 0 HB2 ASN A 44 5.402 2.192 -8.234 1.00 1.00 H new ATOM 0 HB3 ASN A 44 5.454 0.723 -7.280 1.00 1.00 H new ATOM 0 HD21 ASN A 44 2.679 -0.747 -8.986 1.00 1.00 H new ATOM 0 HD22 ASN A 44 4.036 -0.952 -7.873 1.00 1.00 H new ATOM 696 N LEU A 45 3.154 0.437 -5.291 1.00 1.00 N ATOM 697 CA LEU A 45 1.975 -0.273 -4.736 1.00 1.00 C ATOM 698 C LEU A 45 1.211 0.706 -3.870 1.00 1.00 C ATOM 699 O LEU A 45 0.001 0.665 -3.778 1.00 1.00 O ATOM 700 CB LEU A 45 2.472 -1.422 -3.829 1.00 1.00 C ATOM 701 CG LEU A 45 2.668 -2.732 -4.610 1.00 1.00 C ATOM 702 CD1 LEU A 45 3.178 -2.478 -6.036 1.00 1.00 C ATOM 703 CD2 LEU A 45 3.713 -3.566 -3.879 1.00 1.00 C ATOM 0 H LEU A 45 4.050 -0.036 -5.174 1.00 1.00 H new ATOM 0 HA LEU A 45 1.350 -0.664 -5.539 1.00 1.00 H new ATOM 0 HB2 LEU A 45 3.414 -1.134 -3.363 1.00 1.00 H new ATOM 0 HB3 LEU A 45 1.755 -1.584 -3.024 1.00 1.00 H new ATOM 0 HG LEU A 45 1.706 -3.240 -4.674 1.00 1.00 H new ATOM 0 HD11 LEU A 45 3.303 -3.430 -6.553 1.00 1.00 H new ATOM 0 HD12 LEU A 45 2.458 -1.864 -6.576 1.00 1.00 H new ATOM 0 HD13 LEU A 45 4.136 -1.960 -5.993 1.00 1.00 H new ATOM 0 HD21 LEU A 45 3.870 -4.502 -4.414 1.00 1.00 H new ATOM 0 HD22 LEU A 45 4.651 -3.013 -3.831 1.00 1.00 H new ATOM 0 HD23 LEU A 45 3.366 -3.780 -2.868 1.00 1.00 H new ATOM 715 N LEU A 46 1.961 1.573 -3.247 1.00 1.00 N ATOM 716 CA LEU A 46 1.380 2.582 -2.379 1.00 1.00 C ATOM 717 C LEU A 46 0.375 3.427 -3.147 1.00 1.00 C ATOM 718 O LEU A 46 -0.812 3.349 -2.909 1.00 1.00 O ATOM 719 CB LEU A 46 2.568 3.451 -1.932 1.00 1.00 C ATOM 720 CG LEU A 46 2.369 4.000 -0.545 1.00 1.00 C ATOM 721 CD1 LEU A 46 1.112 4.869 -0.519 1.00 1.00 C ATOM 722 CD2 LEU A 46 2.249 2.859 0.462 1.00 1.00 C ATOM 0 H LEU A 46 2.978 1.608 -3.319 1.00 1.00 H new ATOM 0 HA LEU A 46 0.849 2.140 -1.536 1.00 1.00 H new ATOM 0 HB2 LEU A 46 3.483 2.859 -1.961 1.00 1.00 H new ATOM 0 HB3 LEU A 46 2.700 4.275 -2.633 1.00 1.00 H new ATOM 0 HG LEU A 46 3.230 4.609 -0.271 1.00 1.00 H new ATOM 0 HD11 LEU A 46 0.966 5.268 0.485 1.00 1.00 H new ATOM 0 HD12 LEU A 46 1.225 5.693 -1.224 1.00 1.00 H new ATOM 0 HD13 LEU A 46 0.248 4.267 -0.800 1.00 1.00 H new ATOM 0 HD21 LEU A 46 2.105 3.269 1.462 1.00 1.00 H new ATOM 0 HD22 LEU A 46 1.396 2.232 0.201 1.00 1.00 H new ATOM 0 HD23 LEU A 46 3.159 2.260 0.443 1.00 1.00 H new ATOM 734 N ALA A 47 0.862 4.204 -4.065 1.00 1.00 N ATOM 735 CA ALA A 47 -0.063 5.051 -4.846 1.00 1.00 C ATOM 736 C ALA A 47 -1.244 4.228 -5.351 1.00 1.00 C ATOM 737 O ALA A 47 -2.381 4.656 -5.288 1.00 1.00 O ATOM 738 CB ALA A 47 0.705 5.610 -6.053 1.00 1.00 C ATOM 0 H ALA A 47 1.850 4.288 -4.305 1.00 1.00 H new ATOM 0 HA ALA A 47 -0.441 5.855 -4.214 1.00 1.00 H new ATOM 0 HB1 ALA A 47 0.042 6.240 -6.646 1.00 1.00 H new ATOM 0 HB2 ALA A 47 1.551 6.202 -5.704 1.00 1.00 H new ATOM 0 HB3 ALA A 47 1.068 4.786 -6.667 1.00 1.00 H new ATOM 744 N GLU A 48 -0.949 3.056 -5.830 1.00 1.00 N ATOM 745 CA GLU A 48 -2.028 2.179 -6.349 1.00 1.00 C ATOM 746 C GLU A 48 -3.090 1.893 -5.292 1.00 1.00 C ATOM 747 O GLU A 48 -4.248 2.203 -5.480 1.00 1.00 O ATOM 748 CB GLU A 48 -1.393 0.851 -6.778 1.00 1.00 C ATOM 749 CG GLU A 48 -2.497 -0.187 -6.996 1.00 1.00 C ATOM 750 CD GLU A 48 -1.963 -1.324 -7.871 1.00 1.00 C ATOM 751 OE1 GLU A 48 -1.295 -0.997 -8.837 1.00 1.00 O ATOM 752 OE2 GLU A 48 -2.257 -2.457 -7.526 1.00 1.00 O ATOM 0 H GLU A 48 -0.007 2.668 -5.884 1.00 1.00 H new ATOM 0 HA GLU A 48 -2.514 2.685 -7.183 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -0.820 0.988 -7.695 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -0.696 0.504 -6.015 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -2.836 -0.580 -6.037 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -3.360 0.279 -7.473 1.00 1.00 H new ATOM 759 N ALA A 49 -2.683 1.312 -4.197 1.00 1.00 N ATOM 760 CA ALA A 49 -3.671 1.002 -3.134 1.00 1.00 C ATOM 761 C ALA A 49 -4.474 2.235 -2.743 1.00 1.00 C ATOM 762 O ALA A 49 -5.687 2.244 -2.847 1.00 1.00 O ATOM 763 CB ALA A 49 -2.924 0.493 -1.899 1.00 1.00 C ATOM 0 H ALA A 49 -1.720 1.042 -3.996 1.00 1.00 H new ATOM 0 HA ALA A 49 -4.359 0.248 -3.516 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -3.640 0.262 -1.110 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -2.365 -0.407 -2.157 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -2.234 1.261 -1.549 1.00 1.00 H new ATOM 769 N LYS A 50 -3.788 3.257 -2.300 1.00 1.00 N ATOM 770 CA LYS A 50 -4.507 4.492 -1.898 1.00 1.00 C ATOM 771 C LYS A 50 -5.543 4.841 -2.951 1.00 1.00 C ATOM 772 O LYS A 50 -6.556 5.445 -2.659 1.00 1.00 O ATOM 773 CB LYS A 50 -3.497 5.656 -1.781 1.00 1.00 C ATOM 774 CG LYS A 50 -2.317 5.249 -0.875 1.00 1.00 C ATOM 775 CD LYS A 50 -2.731 5.310 0.600 1.00 1.00 C ATOM 776 CE LYS A 50 -2.281 4.018 1.292 1.00 1.00 C ATOM 777 NZ LYS A 50 -2.546 4.091 2.756 1.00 1.00 N ATOM 0 H LYS A 50 -2.773 3.286 -2.202 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.998 4.329 -0.939 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -3.128 5.928 -2.770 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.992 6.537 -1.372 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -1.988 4.240 -1.126 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -1.470 5.913 -1.050 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -2.278 6.175 1.084 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -3.811 5.427 0.684 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -2.808 3.166 0.863 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -1.218 3.856 1.117 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -1.861 3.495 3.263 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -2.452 5.076 3.077 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -3.510 3.754 2.952 1.00 1.00 H new ATOM 791 N LYS A 51 -5.266 4.453 -4.164 1.00 1.00 N ATOM 792 CA LYS A 51 -6.219 4.745 -5.251 1.00 1.00 C ATOM 793 C LYS A 51 -7.413 3.798 -5.171 1.00 1.00 C ATOM 794 O LYS A 51 -8.549 4.211 -5.312 1.00 1.00 O ATOM 795 CB LYS A 51 -5.498 4.532 -6.594 1.00 1.00 C ATOM 796 CG LYS A 51 -6.042 5.520 -7.634 1.00 1.00 C ATOM 797 CD LYS A 51 -5.188 6.790 -7.613 1.00 1.00 C ATOM 798 CE LYS A 51 -5.772 7.805 -8.598 1.00 1.00 C ATOM 799 NZ LYS A 51 -6.079 9.083 -7.900 1.00 1.00 N ATOM 0 H LYS A 51 -4.424 3.949 -4.442 1.00 1.00 H new ATOM 0 HA LYS A 51 -6.575 5.771 -5.162 1.00 1.00 H new ATOM 0 HB2 LYS A 51 -4.425 4.675 -6.469 1.00 1.00 H new ATOM 0 HB3 LYS A 51 -5.645 3.508 -6.939 1.00 1.00 H new ATOM 0 HG2 LYS A 51 -6.022 5.070 -8.627 1.00 1.00 H new ATOM 0 HG3 LYS A 51 -7.082 5.762 -7.415 1.00 1.00 H new ATOM 0 HD2 LYS A 51 -5.166 7.211 -6.608 1.00 1.00 H new ATOM 0 HD3 LYS A 51 -4.158 6.555 -7.882 1.00 1.00 H new ATOM 0 HE2 LYS A 51 -5.064 7.985 -9.407 1.00 1.00 H new ATOM 0 HE3 LYS A 51 -6.678 7.403 -9.051 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 -6.475 9.763 -8.580 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 -6.770 8.908 -7.143 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 -5.207 9.472 -7.489 1.00 1.00 H new ATOM 813 N LEU A 52 -7.139 2.538 -4.940 1.00 1.00 N ATOM 814 CA LEU A 52 -8.258 1.570 -4.847 1.00 1.00 C ATOM 815 C LEU A 52 -9.192 1.978 -3.703 1.00 1.00 C ATOM 816 O LEU A 52 -10.326 1.545 -3.638 1.00 1.00 O ATOM 817 CB LEU A 52 -7.650 0.118 -4.668 1.00 1.00 C ATOM 818 CG LEU A 52 -8.176 -0.625 -3.397 1.00 1.00 C ATOM 819 CD1 LEU A 52 -7.990 -2.155 -3.560 1.00 1.00 C ATOM 820 CD2 LEU A 52 -7.387 -0.149 -2.151 1.00 1.00 C ATOM 0 H LEU A 52 -6.204 2.149 -4.815 1.00 1.00 H new ATOM 0 HA LEU A 52 -8.861 1.567 -5.755 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -7.885 -0.477 -5.550 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -6.564 0.192 -4.613 1.00 1.00 H new ATOM 0 HG LEU A 52 -9.235 -0.400 -3.272 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -8.359 -2.663 -2.669 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -8.547 -2.498 -4.431 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -6.932 -2.381 -3.694 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -7.756 -0.668 -1.267 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -6.328 -0.368 -2.285 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -7.522 0.925 -2.023 1.00 1.00 H new ATOM 832 N ASN A 53 -8.708 2.833 -2.838 1.00 1.00 N ATOM 833 CA ASN A 53 -9.555 3.282 -1.711 1.00 1.00 C ATOM 834 C ASN A 53 -10.595 4.278 -2.194 1.00 1.00 C ATOM 835 O ASN A 53 -11.723 4.275 -1.739 1.00 1.00 O ATOM 836 CB ASN A 53 -8.659 3.964 -0.676 1.00 1.00 C ATOM 837 CG ASN A 53 -9.491 4.263 0.573 1.00 1.00 C ATOM 838 OD1 ASN A 53 -10.166 3.400 1.102 1.00 1.00 O ATOM 839 ND2 ASN A 53 -9.475 5.463 1.079 1.00 1.00 N ATOM 0 H ASN A 53 -7.770 3.232 -2.869 1.00 1.00 H new ATOM 0 HA ASN A 53 -10.065 2.422 -1.277 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -7.816 3.321 -0.423 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -8.245 4.886 -1.084 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -10.025 5.673 1.912 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -8.912 6.193 0.642 1.00 1.00 H new ATOM 846 N ASP A 54 -10.202 5.115 -3.112 1.00 1.00 N ATOM 847 CA ASP A 54 -11.158 6.115 -3.636 1.00 1.00 C ATOM 848 C ASP A 54 -12.152 5.448 -4.579 1.00 1.00 C ATOM 849 O ASP A 54 -13.246 5.939 -4.787 1.00 1.00 O ATOM 850 CB ASP A 54 -10.374 7.179 -4.418 1.00 1.00 C ATOM 851 CG ASP A 54 -9.489 7.967 -3.453 1.00 1.00 C ATOM 852 OD1 ASP A 54 -10.067 8.651 -2.626 1.00 1.00 O ATOM 853 OD2 ASP A 54 -8.284 7.840 -3.599 1.00 1.00 O ATOM 0 H ASP A 54 -9.266 5.147 -3.517 1.00 1.00 H new ATOM 0 HA ASP A 54 -11.700 6.567 -2.805 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -9.762 6.705 -5.186 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -11.063 7.852 -4.929 1.00 1.00 H new ATOM 858 N ALA A 55 -11.748 4.338 -5.138 1.00 1.00 N ATOM 859 CA ALA A 55 -12.649 3.617 -6.071 1.00 1.00 C ATOM 860 C ALA A 55 -13.690 2.795 -5.312 1.00 1.00 C ATOM 861 O ALA A 55 -14.677 2.369 -5.883 1.00 1.00 O ATOM 862 CB ALA A 55 -11.796 2.666 -6.924 1.00 1.00 C ATOM 0 H ALA A 55 -10.837 3.905 -4.987 1.00 1.00 H new ATOM 0 HA ALA A 55 -13.172 4.346 -6.690 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -12.439 2.125 -7.618 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -11.060 3.242 -7.485 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -11.284 1.956 -6.275 1.00 1.00 H new ATOM 868 N GLN A 56 -13.450 2.589 -4.037 1.00 1.00 N ATOM 869 CA GLN A 56 -14.413 1.793 -3.217 1.00 1.00 C ATOM 870 C GLN A 56 -15.078 2.658 -2.148 1.00 1.00 C ATOM 871 O GLN A 56 -16.283 2.641 -1.997 1.00 1.00 O ATOM 872 CB GLN A 56 -13.635 0.666 -2.524 1.00 1.00 C ATOM 873 CG GLN A 56 -13.836 -0.637 -3.302 1.00 1.00 C ATOM 874 CD GLN A 56 -15.238 -1.184 -3.021 1.00 1.00 C ATOM 875 OE1 GLN A 56 -16.128 -0.400 -2.472 1.00 1.00 O flip ATOM 876 NE2 GLN A 56 -15.536 -2.328 -3.299 1.00 1.00 N flip ATOM 0 H GLN A 56 -12.634 2.936 -3.534 1.00 1.00 H new ATOM 0 HA GLN A 56 -15.190 1.397 -3.871 1.00 1.00 H new ATOM 0 HB2 GLN A 56 -12.575 0.915 -2.477 1.00 1.00 H new ATOM 0 HB3 GLN A 56 -13.981 0.547 -1.497 1.00 1.00 H new ATOM 0 HG2 GLN A 56 -13.710 -0.459 -4.370 1.00 1.00 H new ATOM 0 HG3 GLN A 56 -13.083 -1.368 -3.010 1.00 1.00 H new ATOM 0 HE21 GLN A 56 -14.846 -2.945 -3.728 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -16.476 -2.672 -3.104 1.00 1.00 H new ATOM 885 N ALA A 57 -14.283 3.397 -1.422 1.00 1.00 N ATOM 886 CA ALA A 57 -14.863 4.261 -0.364 1.00 1.00 C ATOM 887 C ALA A 57 -16.010 5.138 -0.947 1.00 1.00 C ATOM 888 O ALA A 57 -15.792 5.845 -1.910 1.00 1.00 O ATOM 889 CB ALA A 57 -13.754 5.193 0.149 1.00 1.00 C ATOM 0 H ALA A 57 -13.268 3.438 -1.517 1.00 1.00 H new ATOM 0 HA ALA A 57 -15.262 3.637 0.436 1.00 1.00 H new ATOM 0 HB1 ALA A 57 -14.155 5.840 0.929 1.00 1.00 H new ATOM 0 HB2 ALA A 57 -12.937 4.597 0.556 1.00 1.00 H new ATOM 0 HB3 ALA A 57 -13.383 5.804 -0.674 1.00 1.00 H new ATOM 895 N PRO A 58 -17.223 5.089 -0.366 1.00 1.00 N ATOM 896 CA PRO A 58 -18.333 5.900 -0.883 1.00 1.00 C ATOM 897 C PRO A 58 -18.013 7.392 -0.821 1.00 1.00 C ATOM 898 O PRO A 58 -16.917 7.777 -0.460 1.00 1.00 O ATOM 899 CB PRO A 58 -19.526 5.589 0.043 1.00 1.00 C ATOM 900 CG PRO A 58 -19.038 4.573 1.112 1.00 1.00 C ATOM 901 CD PRO A 58 -17.567 4.254 0.807 1.00 1.00 C ATOM 0 HA PRO A 58 -18.535 5.665 -1.928 1.00 1.00 H new ATOM 0 HB2 PRO A 58 -19.890 6.500 0.518 1.00 1.00 H new ATOM 0 HB3 PRO A 58 -20.356 5.174 -0.528 1.00 1.00 H new ATOM 0 HG2 PRO A 58 -19.140 4.991 2.113 1.00 1.00 H new ATOM 0 HG3 PRO A 58 -19.641 3.666 1.082 1.00 1.00 H new ATOM 0 HD2 PRO A 58 -16.928 4.489 1.658 1.00 1.00 H new ATOM 0 HD3 PRO A 58 -17.431 3.195 0.590 1.00 1.00 H new ATOM 909 N LYS A 59 -18.984 8.199 -1.176 1.00 1.00 N ATOM 910 CA LYS A 59 -18.772 9.677 -1.152 1.00 1.00 C ATOM 911 C LYS A 59 -19.626 10.335 -0.070 1.00 1.00 C ATOM 912 O LYS A 59 -20.793 10.025 0.078 1.00 1.00 O ATOM 913 CB LYS A 59 -19.195 10.240 -2.520 1.00 1.00 C ATOM 914 CG LYS A 59 -18.775 11.719 -2.626 1.00 1.00 C ATOM 915 CD LYS A 59 -17.245 11.832 -2.748 1.00 1.00 C ATOM 916 CE LYS A 59 -16.897 13.130 -3.484 1.00 1.00 C ATOM 917 NZ LYS A 59 -15.565 13.638 -3.043 1.00 1.00 N ATOM 0 H LYS A 59 -19.910 7.898 -1.480 1.00 1.00 H new ATOM 0 HA LYS A 59 -17.723 9.884 -0.940 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -18.732 9.662 -3.320 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -20.274 10.149 -2.644 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -19.251 12.178 -3.493 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -19.118 12.265 -1.747 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -16.787 11.826 -1.759 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -16.846 10.974 -3.289 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -16.888 12.954 -4.560 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -17.662 13.882 -3.290 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -15.344 14.518 -3.551 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -15.586 13.824 -2.020 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -14.836 12.926 -3.250 1.00 1.00 H new ATOM 931 N ALA A 60 -19.030 11.239 0.660 1.00 1.00 N ATOM 932 CA ALA A 60 -19.789 11.928 1.734 1.00 1.00 C ATOM 933 C ALA A 60 -20.984 12.687 1.159 1.00 1.00 C ATOM 934 O ALA A 60 -22.000 12.037 0.976 1.00 1.00 O ATOM 935 CB ALA A 60 -18.850 12.929 2.419 1.00 1.00 C ATOM 936 OXT ALA A 60 -20.815 13.875 0.935 1.00 1.00 O ATOM 0 H ALA A 60 -18.057 11.526 0.558 1.00 1.00 H new ATOM 0 HA ALA A 60 -20.159 11.186 2.441 1.00 1.00 H new ATOM 0 HB1 ALA A 60 -19.388 13.448 3.213 1.00 1.00 H new ATOM 0 HB2 ALA A 60 -17.999 12.397 2.844 1.00 1.00 H new ATOM 0 HB3 ALA A 60 -18.495 13.655 1.687 1.00 1.00 H new TER 942 ALA A 60