USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 474 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 35 SER OG : rot 180:sc= 0.221 USER MOD Set 1.2: A 38 GLN : amide:sc= 0.694 K(o=0.92,f=-4.2!) USER MOD Single : A 12 ASN : amide:sc= -0.0313 K(o=-0.031,f=-1.3!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 168:sc= 1.02 (180deg=0.9) USER MOD Single : A 19 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.27) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 172:sc= 0.952 (180deg=0.906) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0167 K(o=-0.017,f=-1.1) USER MOD Single : A 40 MET CE :methyl -113:sc= -0.138 (180deg=-0.436) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 144:sc= -0.341 (180deg=-1.05) USER MOD Single : A 45 ASN : amide:sc= -0.0213 K(o=-0.021,f=-1.4!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -85:sc= 0.0728 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 63 ASN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 11 -0.430 0.397 -0.754 1.00 49.53 N ATOM 2 CA TRP A 11 0.522 1.196 0.007 1.00 50.07 C ATOM 3 C TRP A 11 -0.092 2.522 0.438 1.00 50.51 C ATOM 4 O TRP A 11 -1.167 2.900 -0.027 1.00 49.49 O ATOM 5 CB TRP A 11 1.787 1.448 -0.818 1.00 49.82 C ATOM 6 CG TRP A 11 2.653 0.234 -0.969 1.00 49.97 C ATOM 7 CD1 TRP A 11 2.739 -0.575 -2.063 1.00 50.03 C ATOM 8 CD2 TRP A 11 3.555 -0.307 0.003 1.00 49.98 C ATOM 9 NE1 TRP A 11 3.638 -1.587 -1.832 1.00 49.39 N ATOM 10 CE2 TRP A 11 4.155 -1.443 -0.570 1.00 50.13 C ATOM 11 CE3 TRP A 11 3.915 0.062 1.305 1.00 49.88 C ATOM 12 CZ2 TRP A 11 5.086 -2.212 0.108 1.00 49.88 C ATOM 13 CZ3 TRP A 11 4.851 -0.709 1.984 1.00 49.88 C ATOM 14 CH2 TRP A 11 5.420 -1.813 1.402 1.00 49.88 C ATOM 0 HA TRP A 11 0.787 0.635 0.903 1.00 50.07 H new ATOM 0 HB2 TRP A 11 1.501 1.806 -1.807 1.00 49.82 H new ATOM 0 HB3 TRP A 11 2.367 2.242 -0.347 1.00 49.82 H new ATOM 0 HD1 TRP A 11 2.181 -0.440 -2.978 1.00 50.03 H new ATOM 0 HE1 TRP A 11 3.882 -2.326 -2.492 1.00 49.39 H new ATOM 0 HE3 TRP A 11 3.474 0.930 1.773 1.00 49.88 H new ATOM 0 HZ2 TRP A 11 5.534 -3.083 -0.346 1.00 49.88 H new ATOM 0 HZ3 TRP A 11 5.136 -0.434 2.989 1.00 49.88 H new ATOM 0 HH2 TRP A 11 6.145 -2.388 1.960 1.00 49.88 H new ATOM 25 N ASN A 12 0.599 3.225 1.330 1.00 49.53 N ATOM 26 CA ASN A 12 0.114 4.502 1.840 1.00 50.07 C ATOM 27 C ASN A 12 0.187 5.586 0.771 1.00 50.51 C ATOM 28 O ASN A 12 -0.701 6.432 0.669 1.00 49.49 O ATOM 29 CB ASN A 12 0.879 4.933 3.077 1.00 49.82 C ATOM 30 CG ASN A 12 0.545 4.132 4.305 1.00 50.55 C ATOM 31 OD1 ASN A 12 -0.516 3.501 4.389 1.00 49.45 O ATOM 32 ND2 ASN A 12 1.404 4.219 5.287 1.00 49.38 N ATOM 0 H ASN A 12 1.497 2.931 1.715 1.00 49.53 H new ATOM 0 HA ASN A 12 -0.930 4.361 2.118 1.00 50.07 H new ATOM 0 HB2 ASN A 12 1.948 4.850 2.880 1.00 49.82 H new ATOM 0 HB3 ASN A 12 0.672 5.985 3.273 1.00 49.82 H new ATOM 0 HD21 ASN A 12 1.213 3.753 6.174 1.00 49.38 H new ATOM 0 HD22 ASN A 12 2.265 4.752 5.166 1.00 49.38 H new ATOM 39 N THR A 13 1.252 5.554 -0.023 1.00 49.53 N ATOM 40 CA THR A 13 1.449 6.541 -1.079 1.00 50.07 C ATOM 41 C THR A 13 2.428 6.034 -2.130 1.00 50.51 C ATOM 42 O THR A 13 3.096 5.020 -1.932 1.00 49.49 O ATOM 43 CB THR A 13 1.965 7.877 -0.515 1.00 50.14 C ATOM 44 OG1 THR A 13 1.986 8.863 -1.555 1.00 49.34 O ATOM 45 CG2 THR A 13 3.368 7.712 0.050 1.00 49.73 C ATOM 0 H THR A 13 1.992 4.855 0.045 1.00 49.53 H new ATOM 0 HA THR A 13 0.476 6.704 -1.541 1.00 50.07 H new ATOM 0 HB THR A 13 1.297 8.197 0.285 1.00 50.14 H new ATOM 0 HG1 THR A 13 2.313 9.713 -1.193 1.00 49.34 H new ATOM 0 HG21 THR A 13 3.716 8.667 0.444 1.00 49.73 H new ATOM 0 HG22 THR A 13 3.353 6.973 0.851 1.00 49.73 H new ATOM 0 HG23 THR A 13 4.041 7.378 -0.740 1.00 49.73 H new ATOM 53 N LYS A 14 2.507 6.746 -3.249 1.00 49.53 N ATOM 54 CA LYS A 14 3.384 6.354 -4.346 1.00 50.07 C ATOM 55 C LYS A 14 4.811 6.139 -3.861 1.00 50.51 C ATOM 56 O LYS A 14 5.492 5.210 -4.295 1.00 49.49 O ATOM 57 CB LYS A 14 3.359 7.408 -5.455 1.00 49.82 C ATOM 58 CG LYS A 14 4.225 7.072 -6.661 1.00 49.82 C ATOM 59 CD LYS A 14 4.055 8.102 -7.768 1.00 49.82 C ATOM 60 CE LYS A 14 4.590 9.463 -7.346 1.00 50.21 C ATOM 61 NZ LYS A 14 4.421 10.483 -8.416 1.00 49.70 N ATOM 0 H LYS A 14 1.974 7.598 -3.420 1.00 49.53 H new ATOM 0 HA LYS A 14 3.014 5.410 -4.746 1.00 50.07 H new ATOM 0 HB2 LYS A 14 2.330 7.543 -5.788 1.00 49.82 H new ATOM 0 HB3 LYS A 14 3.688 8.361 -5.041 1.00 49.82 H new ATOM 0 HG2 LYS A 14 5.271 7.029 -6.359 1.00 49.82 H new ATOM 0 HG3 LYS A 14 3.961 6.084 -7.037 1.00 49.82 H new ATOM 0 HD2 LYS A 14 4.577 7.766 -8.664 1.00 49.82 H new ATOM 0 HD3 LYS A 14 3.000 8.189 -8.028 1.00 49.82 H new ATOM 0 HE2 LYS A 14 4.072 9.793 -6.445 1.00 50.21 H new ATOM 0 HE3 LYS A 14 5.646 9.375 -7.092 1.00 50.21 H new ATOM 0 HZ1 LYS A 14 4.798 11.395 -8.089 1.00 49.70 H new ATOM 0 HZ2 LYS A 14 4.936 10.181 -9.268 1.00 49.70 H new ATOM 0 HZ3 LYS A 14 3.411 10.586 -8.641 1.00 49.70 H new ATOM 75 N GLU A 15 5.260 7.004 -2.957 1.00 49.53 N ATOM 76 CA GLU A 15 6.622 6.935 -2.441 1.00 50.07 C ATOM 77 C GLU A 15 6.887 5.600 -1.758 1.00 50.51 C ATOM 78 O GLU A 15 8.005 5.087 -1.787 1.00 49.49 O ATOM 79 CB GLU A 15 6.885 8.086 -1.466 1.00 49.82 C ATOM 80 CG GLU A 15 7.021 9.451 -2.126 1.00 49.72 C ATOM 81 CD GLU A 15 8.188 9.484 -3.074 1.00 50.62 C ATOM 82 OE1 GLU A 15 9.264 9.108 -2.676 1.00 49.24 O ATOM 83 OE2 GLU A 15 7.982 9.779 -4.228 1.00 49.24 O ATOM 0 H GLU A 15 4.700 7.762 -2.567 1.00 49.53 H new ATOM 0 HA GLU A 15 7.303 7.025 -3.287 1.00 50.07 H new ATOM 0 HB2 GLU A 15 6.071 8.126 -0.742 1.00 49.82 H new ATOM 0 HB3 GLU A 15 7.797 7.873 -0.909 1.00 49.82 H new ATOM 0 HG2 GLU A 15 6.104 9.690 -2.665 1.00 49.72 H new ATOM 0 HG3 GLU A 15 7.149 10.217 -1.361 1.00 49.72 H new ATOM 90 N GLU A 16 5.851 5.041 -1.141 1.00 49.53 N ATOM 91 CA GLU A 16 5.969 3.765 -0.446 1.00 50.07 C ATOM 92 C GLU A 16 6.119 2.614 -1.431 1.00 50.51 C ATOM 93 O GLU A 16 6.943 1.721 -1.237 1.00 49.49 O ATOM 94 CB GLU A 16 4.757 3.532 0.457 1.00 49.82 C ATOM 95 CG GLU A 16 4.710 4.423 1.690 1.00 49.72 C ATOM 96 CD GLU A 16 5.909 4.200 2.569 1.00 50.62 C ATOM 97 OE1 GLU A 16 6.166 3.073 2.918 1.00 49.24 O ATOM 98 OE2 GLU A 16 6.633 5.140 2.802 1.00 49.24 O ATOM 0 H GLU A 16 4.918 5.453 -1.108 1.00 49.53 H new ATOM 0 HA GLU A 16 6.866 3.803 0.172 1.00 50.07 H new ATOM 0 HB2 GLU A 16 3.850 3.691 -0.126 1.00 49.82 H new ATOM 0 HB3 GLU A 16 4.752 2.490 0.777 1.00 49.82 H new ATOM 0 HG2 GLU A 16 4.669 5.469 1.385 1.00 49.72 H new ATOM 0 HG3 GLU A 16 3.800 4.220 2.254 1.00 49.72 H new ATOM 105 N ALA A 17 5.315 2.638 -2.489 1.00 49.53 N ATOM 106 CA ALA A 17 5.412 1.642 -3.549 1.00 50.07 C ATOM 107 C ALA A 17 6.744 1.745 -4.282 1.00 50.51 C ATOM 108 O ALA A 17 7.309 0.737 -4.706 1.00 49.49 O ATOM 109 CB ALA A 17 4.253 1.791 -4.525 1.00 49.73 C ATOM 0 H ALA A 17 4.588 3.338 -2.635 1.00 49.53 H new ATOM 0 HA ALA A 17 5.358 0.655 -3.090 1.00 50.07 H new ATOM 0 HB1 ALA A 17 4.340 1.040 -5.310 1.00 49.73 H new ATOM 0 HB2 ALA A 17 3.311 1.654 -3.995 1.00 49.73 H new ATOM 0 HB3 ALA A 17 4.277 2.786 -4.970 1.00 49.73 H new ATOM 115 N LYS A 18 7.240 2.970 -4.427 1.00 49.53 N ATOM 116 CA LYS A 18 8.535 3.201 -5.055 1.00 50.07 C ATOM 117 C LYS A 18 9.663 2.591 -4.232 1.00 50.51 C ATOM 118 O LYS A 18 10.558 1.943 -4.773 1.00 49.49 O ATOM 119 CB LYS A 18 8.776 4.699 -5.248 1.00 49.82 C ATOM 120 CG LYS A 18 7.945 5.332 -6.356 1.00 49.82 C ATOM 121 CD LYS A 18 7.985 6.851 -6.280 1.00 49.82 C ATOM 122 CE LYS A 18 9.390 7.382 -6.531 1.00 50.21 C ATOM 123 NZ LYS A 18 9.429 8.869 -6.542 1.00 49.70 N ATOM 0 H LYS A 18 6.764 3.818 -4.118 1.00 49.53 H new ATOM 0 HA LYS A 18 8.524 2.715 -6.031 1.00 50.07 H new ATOM 0 HB2 LYS A 18 8.562 5.213 -4.311 1.00 49.82 H new ATOM 0 HB3 LYS A 18 9.832 4.860 -5.465 1.00 49.82 H new ATOM 0 HG2 LYS A 18 8.319 5.005 -7.326 1.00 49.82 H new ATOM 0 HG3 LYS A 18 6.913 4.989 -6.280 1.00 49.82 H new ATOM 0 HD2 LYS A 18 7.298 7.272 -7.015 1.00 49.82 H new ATOM 0 HD3 LYS A 18 7.641 7.177 -5.299 1.00 49.82 H new ATOM 0 HE2 LYS A 18 10.063 7.007 -5.759 1.00 50.21 H new ATOM 0 HE3 LYS A 18 9.756 7.002 -7.485 1.00 50.21 H new ATOM 0 HZ1 LYS A 18 10.418 9.191 -6.511 1.00 49.70 H new ATOM 0 HZ2 LYS A 18 8.977 9.222 -7.410 1.00 49.70 H new ATOM 0 HZ3 LYS A 18 8.920 9.236 -5.713 1.00 49.70 H new ATOM 137 N GLN A 19 9.614 2.803 -2.921 1.00 49.53 N ATOM 138 CA GLN A 19 10.581 2.202 -2.012 1.00 50.07 C ATOM 139 C GLN A 19 10.550 0.682 -2.098 1.00 50.51 C ATOM 140 O GLN A 19 11.592 0.027 -2.074 1.00 49.49 O ATOM 141 CB GLN A 19 10.308 2.644 -0.571 1.00 49.82 C ATOM 142 CG GLN A 19 11.335 2.154 0.436 1.00 49.82 C ATOM 143 CD GLN A 19 12.710 2.747 0.195 1.00 50.55 C ATOM 144 OE1 GLN A 19 12.848 3.947 -0.057 1.00 49.45 O ATOM 145 NE2 GLN A 19 13.737 1.908 0.268 1.00 49.38 N ATOM 0 H GLN A 19 8.914 3.387 -2.465 1.00 49.53 H new ATOM 0 HA GLN A 19 11.572 2.543 -2.311 1.00 50.07 H new ATOM 0 HB2 GLN A 19 10.273 3.733 -0.537 1.00 49.82 H new ATOM 0 HB3 GLN A 19 9.323 2.284 -0.273 1.00 49.82 H new ATOM 0 HG2 GLN A 19 11.004 2.409 1.442 1.00 49.82 H new ATOM 0 HG3 GLN A 19 11.398 1.067 0.387 1.00 49.82 H new ATOM 0 HE21 GLN A 19 13.577 0.923 0.479 1.00 49.38 H new ATOM 0 HE22 GLN A 19 14.686 2.249 0.113 1.00 49.38 H new ATOM 154 N ALA A 20 9.348 0.125 -2.199 1.00 49.53 N ATOM 155 CA ALA A 20 9.180 -1.317 -2.338 1.00 50.07 C ATOM 156 C ALA A 20 9.878 -1.834 -3.589 1.00 50.51 C ATOM 157 O ALA A 20 10.563 -2.857 -3.551 1.00 49.49 O ATOM 158 CB ALA A 20 7.703 -1.679 -2.362 1.00 49.73 C ATOM 0 H ALA A 20 8.474 0.651 -2.187 1.00 49.53 H new ATOM 0 HA ALA A 20 9.643 -1.796 -1.475 1.00 50.07 H new ATOM 0 HB1 ALA A 20 7.595 -2.759 -2.466 1.00 49.73 H new ATOM 0 HB2 ALA A 20 7.234 -1.355 -1.433 1.00 49.73 H new ATOM 0 HB3 ALA A 20 7.220 -1.183 -3.204 1.00 49.73 H new ATOM 164 N PHE A 21 9.702 -1.122 -4.696 1.00 49.53 N ATOM 165 CA PHE A 21 10.346 -1.486 -5.953 1.00 50.07 C ATOM 166 C PHE A 21 11.863 -1.471 -5.818 1.00 50.51 C ATOM 167 O PHE A 21 12.545 -2.393 -6.268 1.00 49.49 O ATOM 168 CB PHE A 21 9.909 -0.540 -7.072 1.00 49.82 C ATOM 169 CG PHE A 21 10.432 -0.921 -8.427 1.00 50.00 C ATOM 170 CD1 PHE A 21 10.866 -2.213 -8.680 1.00 49.88 C ATOM 171 CD2 PHE A 21 10.493 0.012 -9.451 1.00 49.88 C ATOM 172 CE1 PHE A 21 11.348 -2.565 -9.927 1.00 49.88 C ATOM 173 CE2 PHE A 21 10.973 -0.336 -10.698 1.00 49.88 C ATOM 174 CZ PHE A 21 11.402 -1.627 -10.936 1.00 49.88 C ATOM 0 H PHE A 21 9.118 -0.288 -4.749 1.00 49.53 H new ATOM 0 HA PHE A 21 10.036 -2.500 -6.205 1.00 50.07 H new ATOM 0 HB2 PHE A 21 8.820 -0.513 -7.108 1.00 49.82 H new ATOM 0 HB3 PHE A 21 10.245 0.469 -6.834 1.00 49.82 H new ATOM 0 HD1 PHE A 21 10.827 -2.953 -7.894 1.00 49.88 H new ATOM 0 HD2 PHE A 21 10.161 1.024 -9.271 1.00 49.88 H new ATOM 0 HE1 PHE A 21 11.682 -3.575 -10.111 1.00 49.88 H new ATOM 0 HE2 PHE A 21 11.013 0.401 -11.487 1.00 49.88 H new ATOM 0 HZ PHE A 21 11.779 -1.901 -11.910 1.00 49.88 H new ATOM 184 N LYS A 22 12.387 -0.421 -5.195 1.00 49.53 N ATOM 185 CA LYS A 22 13.825 -0.287 -4.996 1.00 50.07 C ATOM 186 C LYS A 22 14.375 -1.436 -4.161 1.00 50.51 C ATOM 187 O LYS A 22 15.428 -1.993 -4.473 1.00 49.49 O ATOM 188 CB LYS A 22 14.151 1.051 -4.331 1.00 49.82 C ATOM 189 CG LYS A 22 13.923 2.267 -5.219 1.00 49.82 C ATOM 190 CD LYS A 22 14.258 3.557 -4.485 1.00 49.82 C ATOM 191 CE LYS A 22 14.026 4.774 -5.370 1.00 50.21 C ATOM 192 NZ LYS A 22 14.372 6.043 -4.673 1.00 49.70 N ATOM 0 H LYS A 22 11.836 0.351 -4.819 1.00 49.53 H new ATOM 0 HA LYS A 22 14.302 -0.320 -5.976 1.00 50.07 H new ATOM 0 HB2 LYS A 22 13.543 1.154 -3.432 1.00 49.82 H new ATOM 0 HB3 LYS A 22 15.193 1.040 -4.012 1.00 49.82 H new ATOM 0 HG2 LYS A 22 14.538 2.186 -6.116 1.00 49.82 H new ATOM 0 HG3 LYS A 22 12.884 2.291 -5.546 1.00 49.82 H new ATOM 0 HD2 LYS A 22 13.646 3.636 -3.587 1.00 49.82 H new ATOM 0 HD3 LYS A 22 15.298 3.534 -4.161 1.00 49.82 H new ATOM 0 HE2 LYS A 22 14.625 4.683 -6.276 1.00 50.21 H new ATOM 0 HE3 LYS A 22 12.981 4.803 -5.680 1.00 50.21 H new ATOM 0 HZ1 LYS A 22 14.200 6.847 -5.310 1.00 49.70 H new ATOM 0 HZ2 LYS A 22 13.783 6.143 -3.822 1.00 49.70 H new ATOM 0 HZ3 LYS A 22 15.375 6.027 -4.400 1.00 49.70 H new ATOM 206 N GLU A 23 13.659 -1.785 -3.099 1.00 49.53 N ATOM 207 CA GLU A 23 14.086 -2.853 -2.204 1.00 50.07 C ATOM 208 C GLU A 23 14.079 -4.202 -2.910 1.00 50.51 C ATOM 209 O GLU A 23 15.022 -4.983 -2.788 1.00 49.49 O ATOM 210 CB GLU A 23 13.190 -2.904 -0.964 1.00 49.82 C ATOM 211 CG GLU A 23 13.393 -1.750 0.007 1.00 49.72 C ATOM 212 CD GLU A 23 12.354 -1.759 1.094 1.00 50.62 C ATOM 213 OE1 GLU A 23 11.484 -2.597 1.050 1.00 49.24 O ATOM 214 OE2 GLU A 23 12.492 -1.004 2.027 1.00 49.24 O ATOM 0 H GLU A 23 12.778 -1.343 -2.836 1.00 49.53 H new ATOM 0 HA GLU A 23 15.108 -2.637 -1.894 1.00 50.07 H new ATOM 0 HB2 GLU A 23 12.148 -2.914 -1.284 1.00 49.82 H new ATOM 0 HB3 GLU A 23 13.371 -3.841 -0.438 1.00 49.82 H new ATOM 0 HG2 GLU A 23 14.386 -1.816 0.451 1.00 49.72 H new ATOM 0 HG3 GLU A 23 13.348 -0.805 -0.534 1.00 49.72 H new ATOM 221 N LEU A 24 13.007 -4.470 -3.650 1.00 49.53 N ATOM 222 CA LEU A 24 12.876 -5.725 -4.381 1.00 50.07 C ATOM 223 C LEU A 24 13.936 -5.842 -5.468 1.00 50.51 C ATOM 224 O LEU A 24 14.509 -6.912 -5.679 1.00 49.49 O ATOM 225 CB LEU A 24 11.472 -5.839 -4.989 1.00 49.82 C ATOM 226 CG LEU A 24 10.339 -6.056 -3.978 1.00 49.91 C ATOM 227 CD1 LEU A 24 8.990 -5.964 -4.678 1.00 49.73 C ATOM 228 CD2 LEU A 24 10.508 -7.411 -3.308 1.00 49.73 C ATOM 0 H LEU A 24 12.217 -3.834 -3.759 1.00 49.53 H new ATOM 0 HA LEU A 24 13.025 -6.544 -3.678 1.00 50.07 H new ATOM 0 HB2 LEU A 24 11.264 -4.931 -5.555 1.00 49.82 H new ATOM 0 HB3 LEU A 24 11.467 -6.666 -5.699 1.00 49.82 H new ATOM 0 HG LEU A 24 10.380 -5.280 -3.214 1.00 49.91 H new ATOM 0 HD11 LEU A 24 8.192 -6.119 -3.952 1.00 49.73 H new ATOM 0 HD12 LEU A 24 8.882 -4.979 -5.131 1.00 49.73 H new ATOM 0 HD13 LEU A 24 8.929 -6.728 -5.453 1.00 49.73 H new ATOM 0 HD21 LEU A 24 9.703 -7.565 -2.590 1.00 49.73 H new ATOM 0 HD22 LEU A 24 10.476 -8.197 -4.063 1.00 49.73 H new ATOM 0 HD23 LEU A 24 11.467 -7.444 -2.791 1.00 49.73 H new ATOM 240 N LEU A 25 14.194 -4.736 -6.158 1.00 49.53 N ATOM 241 CA LEU A 25 15.212 -4.703 -7.202 1.00 50.07 C ATOM 242 C LEU A 25 16.557 -5.185 -6.673 1.00 50.51 C ATOM 243 O LEU A 25 17.159 -6.105 -7.226 1.00 49.49 O ATOM 244 CB LEU A 25 15.339 -3.286 -7.773 1.00 49.82 C ATOM 245 CG LEU A 25 16.038 -3.192 -9.136 1.00 49.91 C ATOM 246 CD1 LEU A 25 15.393 -2.099 -9.979 1.00 49.73 C ATOM 247 CD2 LEU A 25 17.518 -2.913 -8.931 1.00 49.73 C ATOM 0 H LEU A 25 13.711 -3.849 -6.013 1.00 49.53 H new ATOM 0 HA LEU A 25 14.903 -5.379 -7.999 1.00 50.07 H new ATOM 0 HB2 LEU A 25 14.341 -2.857 -7.864 1.00 49.82 H new ATOM 0 HB3 LEU A 25 15.886 -2.671 -7.059 1.00 49.82 H new ATOM 0 HG LEU A 25 15.931 -4.139 -9.666 1.00 49.91 H new ATOM 0 HD11 LEU A 25 15.896 -2.040 -10.944 1.00 49.73 H new ATOM 0 HD12 LEU A 25 14.339 -2.332 -10.132 1.00 49.73 H new ATOM 0 HD13 LEU A 25 15.482 -1.142 -9.464 1.00 49.73 H new ATOM 0 HD21 LEU A 25 18.013 -2.846 -9.900 1.00 49.73 H new ATOM 0 HD22 LEU A 25 17.640 -1.971 -8.396 1.00 49.73 H new ATOM 0 HD23 LEU A 25 17.964 -3.721 -8.350 1.00 49.73 H new ATOM 259 N LYS A 26 17.024 -4.556 -5.599 1.00 49.53 N ATOM 260 CA LYS A 26 18.285 -4.938 -4.976 1.00 50.07 C ATOM 261 C LYS A 26 18.199 -6.332 -4.368 1.00 50.51 C ATOM 262 O LYS A 26 19.173 -7.084 -4.372 1.00 49.49 O ATOM 263 CB LYS A 26 18.685 -3.921 -3.906 1.00 49.82 C ATOM 264 CG LYS A 26 19.087 -2.558 -4.453 1.00 49.82 C ATOM 265 CD LYS A 26 19.456 -1.598 -3.332 1.00 49.82 C ATOM 266 CE LYS A 26 19.846 -0.232 -3.877 1.00 50.21 C ATOM 267 NZ LYS A 26 20.183 0.726 -2.788 1.00 49.70 N ATOM 0 H LYS A 26 16.547 -3.779 -5.142 1.00 49.53 H new ATOM 0 HA LYS A 26 19.049 -4.952 -5.753 1.00 50.07 H new ATOM 0 HB2 LYS A 26 17.851 -3.791 -3.216 1.00 49.82 H new ATOM 0 HB3 LYS A 26 19.516 -4.327 -3.329 1.00 49.82 H new ATOM 0 HG2 LYS A 26 19.933 -2.671 -5.131 1.00 49.82 H new ATOM 0 HG3 LYS A 26 18.266 -2.141 -5.036 1.00 49.82 H new ATOM 0 HD2 LYS A 26 18.613 -1.492 -2.649 1.00 49.82 H new ATOM 0 HD3 LYS A 26 20.283 -2.011 -2.755 1.00 49.82 H new ATOM 0 HE2 LYS A 26 20.701 -0.338 -4.544 1.00 50.21 H new ATOM 0 HE3 LYS A 26 19.025 0.169 -4.472 1.00 50.21 H new ATOM 0 HZ1 LYS A 26 20.443 1.644 -3.201 1.00 49.70 H new ATOM 0 HZ2 LYS A 26 19.359 0.848 -2.165 1.00 49.70 H new ATOM 0 HZ3 LYS A 26 20.983 0.356 -2.235 1.00 49.70 H new ATOM 281 N GLU A 27 17.026 -6.671 -3.843 1.00 49.53 N ATOM 282 CA GLU A 27 16.811 -7.973 -3.223 1.00 50.07 C ATOM 283 C GLU A 27 16.985 -9.099 -4.233 1.00 50.51 C ATOM 284 O GLU A 27 17.386 -10.208 -3.878 1.00 49.49 O ATOM 285 CB GLU A 27 15.419 -8.043 -2.593 1.00 49.82 C ATOM 286 CG GLU A 27 15.127 -9.342 -1.856 1.00 49.72 C ATOM 287 CD GLU A 27 16.012 -9.498 -0.650 1.00 50.62 C ATOM 288 OE1 GLU A 27 16.686 -8.556 -0.307 1.00 49.24 O ATOM 289 OE2 GLU A 27 15.933 -10.518 -0.007 1.00 49.24 O ATOM 0 H GLU A 27 16.209 -6.061 -3.835 1.00 49.53 H new ATOM 0 HA GLU A 27 17.560 -8.097 -2.441 1.00 50.07 H new ATOM 0 HB2 GLU A 27 15.306 -7.212 -1.897 1.00 49.82 H new ATOM 0 HB3 GLU A 27 14.672 -7.908 -3.375 1.00 49.82 H new ATOM 0 HG2 GLU A 27 14.082 -9.360 -1.547 1.00 49.72 H new ATOM 0 HG3 GLU A 27 15.275 -10.186 -2.530 1.00 49.72 H new ATOM 296 N LYS A 28 16.682 -8.809 -5.494 1.00 49.53 N ATOM 297 CA LYS A 28 16.785 -9.804 -6.555 1.00 50.07 C ATOM 298 C LYS A 28 18.090 -9.655 -7.325 1.00 50.51 C ATOM 299 O LYS A 28 18.274 -10.264 -8.379 1.00 49.49 O ATOM 300 CB LYS A 28 15.595 -9.693 -7.510 1.00 49.82 C ATOM 301 CG LYS A 28 14.248 -10.009 -6.876 1.00 49.82 C ATOM 302 CD LYS A 28 14.347 -11.193 -5.926 1.00 49.82 C ATOM 303 CE LYS A 28 14.440 -12.508 -6.687 1.00 50.21 C ATOM 304 NZ LYS A 28 14.466 -13.681 -5.770 1.00 49.70 N ATOM 0 H LYS A 28 16.363 -7.892 -5.806 1.00 49.53 H new ATOM 0 HA LYS A 28 16.775 -10.790 -6.090 1.00 50.07 H new ATOM 0 HB2 LYS A 28 15.564 -8.682 -7.916 1.00 49.82 H new ATOM 0 HB3 LYS A 28 15.755 -10.369 -8.350 1.00 49.82 H new ATOM 0 HG2 LYS A 28 13.885 -9.135 -6.335 1.00 49.82 H new ATOM 0 HG3 LYS A 28 13.519 -10.226 -7.656 1.00 49.82 H new ATOM 0 HD2 LYS A 28 15.223 -11.077 -5.288 1.00 49.82 H new ATOM 0 HD3 LYS A 28 13.476 -11.210 -5.271 1.00 49.82 H new ATOM 0 HE2 LYS A 28 13.591 -12.596 -7.365 1.00 50.21 H new ATOM 0 HE3 LYS A 28 15.340 -12.508 -7.302 1.00 50.21 H new ATOM 0 HZ1 LYS A 28 14.393 -14.557 -6.325 1.00 49.70 H new ATOM 0 HZ2 LYS A 28 15.358 -13.683 -5.235 1.00 49.70 H new ATOM 0 HZ3 LYS A 28 13.665 -13.622 -5.109 1.00 49.70 H new ATOM 318 N ARG A 29 18.996 -8.841 -6.792 1.00 49.53 N ATOM 319 CA ARG A 29 20.301 -8.638 -7.410 1.00 50.07 C ATOM 320 C ARG A 29 20.161 -8.192 -8.859 1.00 50.51 C ATOM 321 O ARG A 29 20.949 -8.587 -9.719 1.00 49.49 O ATOM 322 CB ARG A 29 21.192 -9.867 -7.289 1.00 49.82 C ATOM 323 CG ARG A 29 21.554 -10.255 -5.864 1.00 49.82 C ATOM 324 CD ARG A 29 22.469 -11.421 -5.762 1.00 50.20 C ATOM 325 NE ARG A 29 22.678 -11.907 -4.407 1.00 49.30 N ATOM 326 CZ ARG A 29 23.431 -12.976 -4.085 1.00 50.64 C ATOM 327 NH1 ARG A 29 24.017 -13.697 -5.016 1.00 49.20 N ATOM 328 NH2 ARG A 29 23.545 -13.297 -2.808 1.00 49.20 N ATOM 0 H ARG A 29 18.850 -8.311 -5.933 1.00 49.53 H new ATOM 0 HA ARG A 29 20.794 -7.836 -6.860 1.00 50.07 H new ATOM 0 HB2 ARG A 29 20.690 -10.710 -7.764 1.00 49.82 H new ATOM 0 HB3 ARG A 29 22.111 -9.688 -7.847 1.00 49.82 H new ATOM 0 HG2 ARG A 29 22.018 -9.399 -5.374 1.00 49.82 H new ATOM 0 HG3 ARG A 29 20.638 -10.478 -5.317 1.00 49.82 H new ATOM 0 HD2 ARG A 29 22.070 -12.234 -6.369 1.00 50.20 H new ATOM 0 HD3 ARG A 29 23.434 -11.148 -6.189 1.00 50.20 H new ATOM 0 HE ARG A 29 22.222 -11.402 -3.647 1.00 49.30 H new ATOM 0 HH11 ARG A 29 23.904 -13.449 -5.999 1.00 49.20 H new ATOM 0 HH12 ARG A 29 24.584 -14.504 -4.755 1.00 49.20 H new ATOM 0 HH21 ARG A 29 23.069 -12.740 -2.098 1.00 49.20 H new ATOM 0 HH22 ARG A 29 24.108 -14.101 -2.533 1.00 49.20 H new ATOM 342 N VAL A 30 19.153 -7.368 -9.125 1.00 49.53 N ATOM 343 CA VAL A 30 18.920 -6.849 -10.468 1.00 50.07 C ATOM 344 C VAL A 30 19.970 -5.813 -10.847 1.00 50.51 C ATOM 345 O VAL A 30 20.151 -4.814 -10.149 1.00 49.49 O ATOM 346 CB VAL A 30 17.521 -6.219 -10.596 1.00 49.91 C ATOM 347 CG1 VAL A 30 17.336 -5.609 -11.977 1.00 49.73 C ATOM 348 CG2 VAL A 30 16.443 -7.258 -10.326 1.00 49.73 C ATOM 0 H VAL A 30 18.483 -7.045 -8.427 1.00 49.53 H new ATOM 0 HA VAL A 30 18.989 -7.697 -11.149 1.00 50.07 H new ATOM 0 HB VAL A 30 17.431 -5.426 -9.853 1.00 49.91 H new ATOM 0 HG11 VAL A 30 16.342 -5.168 -12.050 1.00 49.73 H new ATOM 0 HG12 VAL A 30 18.088 -4.836 -12.137 1.00 49.73 H new ATOM 0 HG13 VAL A 30 17.445 -6.385 -12.735 1.00 49.73 H new ATOM 0 HG21 VAL A 30 15.460 -6.796 -10.421 1.00 49.73 H new ATOM 0 HG22 VAL A 30 16.533 -8.071 -11.047 1.00 49.73 H new ATOM 0 HG23 VAL A 30 16.563 -7.653 -9.317 1.00 49.73 H new ATOM 358 N PRO A 31 20.660 -6.054 -11.956 1.00 49.71 N ATOM 359 CA PRO A 31 21.732 -5.171 -12.399 1.00 50.02 C ATOM 360 C PRO A 31 21.244 -3.735 -12.533 1.00 50.51 C ATOM 361 O PRO A 31 20.109 -3.491 -12.943 1.00 49.49 O ATOM 362 CB PRO A 31 22.171 -5.762 -13.749 1.00 49.82 C ATOM 363 CG PRO A 31 21.786 -7.214 -13.682 1.00 49.82 C ATOM 364 CD PRO A 31 20.344 -7.087 -12.952 1.00 50.00 C ATOM 0 HA PRO A 31 22.558 -5.121 -11.689 1.00 50.02 H new ATOM 0 HB2 PRO A 31 21.675 -5.260 -14.580 1.00 49.82 H new ATOM 0 HB3 PRO A 31 23.244 -5.645 -13.901 1.00 49.82 H new ATOM 0 HG2 PRO A 31 21.715 -7.673 -14.668 1.00 49.82 H new ATOM 0 HG3 PRO A 31 22.495 -7.807 -13.105 1.00 49.82 H new ATOM 0 HD2 PRO A 31 19.554 -6.779 -13.637 1.00 50.00 H new ATOM 0 HD3 PRO A 31 20.023 -8.023 -12.496 1.00 50.00 H new ATOM 372 N SER A 32 22.107 -2.787 -12.185 1.00 49.53 N ATOM 373 CA SER A 32 21.768 -1.373 -12.273 1.00 50.07 C ATOM 374 C SER A 32 21.595 -0.936 -13.722 1.00 50.51 C ATOM 375 O SER A 32 21.022 0.118 -13.999 1.00 49.49 O ATOM 376 CB SER A 32 22.835 -0.536 -11.592 1.00 50.05 C ATOM 377 OG SER A 32 24.062 -0.602 -12.264 1.00 49.34 O ATOM 0 H SER A 32 23.048 -2.973 -11.839 1.00 49.53 H new ATOM 0 HA SER A 32 20.817 -1.220 -11.762 1.00 50.07 H new ATOM 0 HB2 SER A 32 22.505 0.501 -11.542 1.00 50.05 H new ATOM 0 HB3 SER A 32 22.965 -0.879 -10.566 1.00 50.05 H new ATOM 0 HG SER A 32 24.722 -0.049 -11.796 1.00 49.34 H new ATOM 383 N ASN A 33 22.095 -1.751 -14.644 1.00 49.53 N ATOM 384 CA ASN A 33 21.977 -1.462 -16.068 1.00 50.07 C ATOM 385 C ASN A 33 20.644 -1.950 -16.620 1.00 50.51 C ATOM 386 O ASN A 33 20.278 -1.635 -17.753 1.00 49.49 O ATOM 387 CB ASN A 33 23.125 -2.069 -16.855 1.00 49.82 C ATOM 388 CG ASN A 33 24.446 -1.393 -16.615 1.00 50.55 C ATOM 389 OD1 ASN A 33 24.505 -0.218 -16.234 1.00 49.45 O ATOM 390 ND2 ASN A 33 25.504 -2.102 -16.914 1.00 49.38 N ATOM 0 H ASN A 33 22.587 -2.619 -14.430 1.00 49.53 H new ATOM 0 HA ASN A 33 22.022 -0.379 -16.181 1.00 50.07 H new ATOM 0 HB2 ASN A 33 23.214 -3.124 -16.595 1.00 49.82 H new ATOM 0 HB3 ASN A 33 22.890 -2.021 -17.918 1.00 49.82 H new ATOM 0 HD21 ASN A 33 26.433 -1.689 -16.837 1.00 49.38 H new ATOM 0 HD22 ASN A 33 25.400 -3.068 -17.224 1.00 49.38 H new ATOM 397 N ALA A 34 19.920 -2.719 -15.814 1.00 49.53 N ATOM 398 CA ALA A 34 18.621 -3.243 -16.217 1.00 50.07 C ATOM 399 C ALA A 34 17.531 -2.191 -16.063 1.00 50.51 C ATOM 400 O ALA A 34 17.565 -1.378 -15.139 1.00 49.49 O ATOM 401 CB ALA A 34 18.279 -4.488 -15.413 1.00 49.73 C ATOM 0 H ALA A 34 20.212 -2.993 -14.876 1.00 49.53 H new ATOM 0 HA ALA A 34 18.679 -3.513 -17.272 1.00 50.07 H new ATOM 0 HB1 ALA A 34 17.306 -4.867 -15.726 1.00 49.73 H new ATOM 0 HB2 ALA A 34 19.038 -5.251 -15.584 1.00 49.73 H new ATOM 0 HB3 ALA A 34 18.247 -4.239 -14.352 1.00 49.73 H new ATOM 407 N SER A 35 16.562 -2.211 -16.973 1.00 49.53 N ATOM 408 CA SER A 35 15.449 -1.271 -16.928 1.00 50.07 C ATOM 409 C SER A 35 14.457 -1.643 -15.833 1.00 50.51 C ATOM 410 O SER A 35 14.506 -2.746 -15.287 1.00 49.49 O ATOM 411 CB SER A 35 14.754 -1.221 -18.275 1.00 50.05 C ATOM 412 OG SER A 35 14.034 -2.393 -18.541 1.00 49.34 O ATOM 0 H SER A 35 16.526 -2.869 -17.751 1.00 49.53 H new ATOM 0 HA SER A 35 15.848 -0.283 -16.697 1.00 50.07 H new ATOM 0 HB2 SER A 35 14.078 -0.367 -18.302 1.00 50.05 H new ATOM 0 HB3 SER A 35 15.495 -1.066 -19.059 1.00 50.05 H new ATOM 0 HG SER A 35 13.600 -2.319 -19.417 1.00 49.34 H new ATOM 418 N TRP A 36 13.559 -0.717 -15.517 1.00 49.53 N ATOM 419 CA TRP A 36 12.495 -0.980 -14.555 1.00 50.07 C ATOM 420 C TRP A 36 11.675 -2.199 -14.958 1.00 50.51 C ATOM 421 O TRP A 36 11.154 -2.919 -14.106 1.00 49.49 O ATOM 422 CB TRP A 36 11.584 0.242 -14.420 1.00 49.82 C ATOM 423 CG TRP A 36 10.707 0.469 -15.613 1.00 49.97 C ATOM 424 CD1 TRP A 36 11.002 1.220 -16.713 1.00 50.03 C ATOM 425 CD2 TRP A 36 9.392 -0.059 -15.830 1.00 49.98 C ATOM 426 NE1 TRP A 36 9.954 1.194 -17.599 1.00 49.39 N ATOM 427 CE2 TRP A 36 8.953 0.413 -17.079 1.00 50.13 C ATOM 428 CE3 TRP A 36 8.543 -0.887 -15.084 1.00 49.88 C ATOM 429 CZ2 TRP A 36 7.709 0.091 -17.600 1.00 49.88 C ATOM 430 CZ3 TRP A 36 7.297 -1.211 -15.607 1.00 49.88 C ATOM 431 CH2 TRP A 36 6.892 -0.737 -16.829 1.00 49.88 C ATOM 0 H TRP A 36 13.546 0.223 -15.913 1.00 49.53 H new ATOM 0 HA TRP A 36 12.961 -1.186 -13.591 1.00 50.07 H new ATOM 0 HB2 TRP A 36 10.957 0.122 -13.536 1.00 49.82 H new ATOM 0 HB3 TRP A 36 12.199 1.127 -14.257 1.00 49.82 H new ATOM 0 HD1 TRP A 36 11.926 1.757 -16.865 1.00 50.03 H new ATOM 0 HE1 TRP A 36 9.924 1.676 -18.497 1.00 49.39 H new ATOM 0 HE3 TRP A 36 8.851 -1.266 -14.121 1.00 49.88 H new ATOM 0 HZ2 TRP A 36 7.386 0.465 -18.561 1.00 49.88 H new ATOM 0 HZ3 TRP A 36 6.634 -1.848 -15.040 1.00 49.88 H new ATOM 0 HH2 TRP A 36 5.917 -1.011 -17.204 1.00 49.88 H new ATOM 442 N GLU A 37 11.566 -2.426 -16.263 1.00 49.53 N ATOM 443 CA GLU A 37 10.805 -3.557 -16.782 1.00 50.07 C ATOM 444 C GLU A 37 11.574 -4.861 -16.616 1.00 50.51 C ATOM 445 O GLU A 37 11.012 -5.875 -16.199 1.00 49.49 O ATOM 446 CB GLU A 37 10.457 -3.336 -18.256 1.00 49.82 C ATOM 447 CG GLU A 37 9.579 -4.421 -18.863 1.00 49.72 C ATOM 448 CD GLU A 37 9.228 -4.105 -20.291 1.00 50.62 C ATOM 449 OE1 GLU A 37 9.645 -3.078 -20.771 1.00 49.24 O ATOM 450 OE2 GLU A 37 8.639 -4.939 -20.936 1.00 49.24 O ATOM 0 H GLU A 37 11.995 -1.842 -16.981 1.00 49.53 H new ATOM 0 HA GLU A 37 9.882 -3.630 -16.207 1.00 50.07 H new ATOM 0 HB2 GLU A 37 9.950 -2.376 -18.357 1.00 49.82 H new ATOM 0 HB3 GLU A 37 11.382 -3.270 -18.829 1.00 49.82 H new ATOM 0 HG2 GLU A 37 10.097 -5.379 -18.817 1.00 49.72 H new ATOM 0 HG3 GLU A 37 8.666 -4.524 -18.276 1.00 49.72 H new ATOM 457 N GLN A 38 12.862 -4.830 -16.944 1.00 49.53 N ATOM 458 CA GLN A 38 13.733 -5.980 -16.739 1.00 50.07 C ATOM 459 C GLN A 38 13.790 -6.372 -15.268 1.00 50.51 C ATOM 460 O GLN A 38 13.871 -7.554 -14.934 1.00 49.49 O ATOM 461 CB GLN A 38 15.144 -5.681 -17.250 1.00 49.82 C ATOM 462 CG GLN A 38 15.257 -5.610 -18.763 1.00 49.82 C ATOM 463 CD GLN A 38 16.651 -5.227 -19.222 1.00 50.55 C ATOM 464 OE1 GLN A 38 17.045 -4.059 -19.150 1.00 49.45 O ATOM 465 NE2 GLN A 38 17.405 -6.209 -19.703 1.00 49.38 N ATOM 0 H GLN A 38 13.325 -4.019 -17.354 1.00 49.53 H new ATOM 0 HA GLN A 38 13.318 -6.815 -17.303 1.00 50.07 H new ATOM 0 HB2 GLN A 38 15.478 -4.733 -16.827 1.00 49.82 H new ATOM 0 HB3 GLN A 38 15.822 -6.451 -16.882 1.00 49.82 H new ATOM 0 HG2 GLN A 38 14.990 -6.576 -19.190 1.00 49.82 H new ATOM 0 HG3 GLN A 38 14.540 -4.883 -19.144 1.00 49.82 H new ATOM 0 HE21 GLN A 38 17.039 -7.160 -19.744 1.00 49.38 H new ATOM 0 HE22 GLN A 38 18.350 -6.012 -20.031 1.00 49.38 H new ATOM 474 N ALA A 39 13.748 -5.374 -14.393 1.00 49.53 N ATOM 475 CA ALA A 39 13.671 -5.617 -12.957 1.00 50.07 C ATOM 476 C ALA A 39 12.370 -6.317 -12.586 1.00 50.51 C ATOM 477 O ALA A 39 12.377 -7.333 -11.891 1.00 49.49 O ATOM 478 CB ALA A 39 13.809 -4.308 -12.191 1.00 49.73 C ATOM 0 H ALA A 39 13.766 -4.388 -14.653 1.00 49.53 H new ATOM 0 HA ALA A 39 14.495 -6.274 -12.681 1.00 50.07 H new ATOM 0 HB1 ALA A 39 13.750 -4.505 -11.121 1.00 49.73 H new ATOM 0 HB2 ALA A 39 14.771 -3.850 -12.423 1.00 49.73 H new ATOM 0 HB3 ALA A 39 13.006 -3.631 -12.480 1.00 49.73 H new ATOM 484 N MET A 40 11.254 -5.769 -13.055 1.00 49.53 N ATOM 485 CA MET A 40 9.949 -6.383 -12.838 1.00 50.07 C ATOM 486 C MET A 40 9.951 -7.846 -13.261 1.00 50.51 C ATOM 487 O MET A 40 9.345 -8.692 -12.605 1.00 49.49 O ATOM 488 CB MET A 40 8.871 -5.614 -13.599 1.00 49.82 C ATOM 489 CG MET A 40 7.487 -6.244 -13.539 1.00 49.86 C ATOM 490 SD MET A 40 6.261 -5.322 -14.488 1.00 49.91 S ATOM 491 CE MET A 40 6.836 -5.614 -16.158 1.00 49.78 C ATOM 0 H MET A 40 11.227 -4.900 -13.588 1.00 49.53 H new ATOM 0 HA MET A 40 9.730 -6.341 -11.771 1.00 50.07 H new ATOM 0 HB2 MET A 40 8.813 -4.602 -13.199 1.00 49.82 H new ATOM 0 HB3 MET A 40 9.172 -5.528 -14.643 1.00 49.82 H new ATOM 0 HG2 MET A 40 7.540 -7.265 -13.917 1.00 49.86 H new ATOM 0 HG3 MET A 40 7.165 -6.305 -12.499 1.00 49.86 H new ATOM 0 HE1 MET A 40 7.192 -4.678 -16.589 1.00 49.78 H new ATOM 0 HE2 MET A 40 7.650 -6.339 -16.141 1.00 49.78 H new ATOM 0 HE3 MET A 40 6.016 -6.003 -16.762 1.00 49.78 H new ATOM 501 N LYS A 41 10.637 -8.137 -14.362 1.00 49.53 N ATOM 502 CA LYS A 41 10.703 -9.496 -14.886 1.00 50.07 C ATOM 503 C LYS A 41 11.510 -10.402 -13.965 1.00 50.51 C ATOM 504 O LYS A 41 11.264 -11.606 -13.893 1.00 49.49 O ATOM 505 CB LYS A 41 11.309 -9.499 -16.289 1.00 49.82 C ATOM 506 CG LYS A 41 10.398 -8.932 -17.371 1.00 49.82 C ATOM 507 CD LYS A 41 11.087 -8.924 -18.727 1.00 49.82 C ATOM 508 CE LYS A 41 10.161 -8.398 -19.815 1.00 50.21 C ATOM 509 NZ LYS A 41 10.826 -8.370 -21.145 1.00 49.70 N ATOM 0 H LYS A 41 11.155 -7.449 -14.909 1.00 49.53 H new ATOM 0 HA LYS A 41 9.686 -9.883 -14.939 1.00 50.07 H new ATOM 0 HB2 LYS A 41 12.235 -8.924 -16.273 1.00 49.82 H new ATOM 0 HB3 LYS A 41 11.574 -10.522 -16.554 1.00 49.82 H new ATOM 0 HG2 LYS A 41 9.485 -9.525 -17.428 1.00 49.82 H new ATOM 0 HG3 LYS A 41 10.102 -7.917 -17.105 1.00 49.82 H new ATOM 0 HD2 LYS A 41 11.983 -8.305 -18.678 1.00 49.82 H new ATOM 0 HD3 LYS A 41 11.411 -9.934 -18.979 1.00 49.82 H new ATOM 0 HE2 LYS A 41 9.271 -9.024 -19.868 1.00 50.21 H new ATOM 0 HE3 LYS A 41 9.829 -7.393 -19.554 1.00 50.21 H new ATOM 0 HZ1 LYS A 41 10.162 -8.006 -21.858 1.00 49.70 H new ATOM 0 HZ2 LYS A 41 11.661 -7.752 -21.102 1.00 49.70 H new ATOM 0 HZ3 LYS A 41 11.120 -9.333 -21.406 1.00 49.70 H new ATOM 523 N MET A 42 12.474 -9.817 -13.262 1.00 49.53 N ATOM 524 CA MET A 42 13.335 -10.576 -12.363 1.00 50.07 C ATOM 525 C MET A 42 12.730 -10.664 -10.966 1.00 50.51 C ATOM 526 O MET A 42 13.097 -11.533 -10.175 1.00 49.49 O ATOM 527 CB MET A 42 14.722 -9.939 -12.297 1.00 49.82 C ATOM 528 CG MET A 42 15.537 -10.075 -13.576 1.00 49.86 C ATOM 529 SD MET A 42 17.101 -9.180 -13.502 1.00 49.91 S ATOM 530 CE MET A 42 17.995 -10.160 -12.300 1.00 49.78 C ATOM 0 H MET A 42 12.679 -8.818 -13.298 1.00 49.53 H new ATOM 0 HA MET A 42 13.426 -11.588 -12.757 1.00 50.07 H new ATOM 0 HB2 MET A 42 14.612 -8.880 -12.061 1.00 49.82 H new ATOM 0 HB3 MET A 42 15.278 -10.392 -11.476 1.00 49.82 H new ATOM 0 HG2 MET A 42 15.735 -11.130 -13.765 1.00 49.86 H new ATOM 0 HG3 MET A 42 14.951 -9.705 -14.417 1.00 49.86 H new ATOM 0 HE1 MET A 42 19.050 -10.197 -12.573 1.00 49.78 H new ATOM 0 HE2 MET A 42 17.891 -9.709 -11.313 1.00 49.78 H new ATOM 0 HE3 MET A 42 17.589 -11.172 -12.281 1.00 49.78 H new ATOM 540 N ILE A 43 11.801 -9.762 -10.671 1.00 49.53 N ATOM 541 CA ILE A 43 11.174 -9.711 -9.356 1.00 50.07 C ATOM 542 C ILE A 43 9.880 -10.515 -9.331 1.00 50.51 C ATOM 543 O ILE A 43 9.519 -11.095 -8.307 1.00 49.49 O ATOM 544 CB ILE A 43 10.875 -8.262 -8.929 1.00 49.91 C ATOM 545 CG1 ILE A 43 12.177 -7.473 -8.767 1.00 49.82 C ATOM 546 CG2 ILE A 43 10.073 -8.244 -7.636 1.00 49.73 C ATOM 547 CD1 ILE A 43 11.979 -5.977 -8.688 1.00 49.73 C ATOM 0 H ILE A 43 11.465 -9.055 -11.326 1.00 49.53 H new ATOM 0 HA ILE A 43 11.883 -10.148 -8.653 1.00 50.07 H new ATOM 0 HB ILE A 43 10.280 -7.786 -9.709 1.00 49.91 H new ATOM 0 HG12 ILE A 43 12.685 -7.811 -7.864 1.00 49.82 H new ATOM 0 HG13 ILE A 43 12.835 -7.699 -9.606 1.00 49.82 H new ATOM 0 HG21 ILE A 43 9.870 -7.212 -7.348 1.00 49.73 H new ATOM 0 HG22 ILE A 43 9.131 -8.771 -7.785 1.00 49.73 H new ATOM 0 HG23 ILE A 43 10.643 -8.735 -6.847 1.00 49.73 H new ATOM 0 HD11 ILE A 43 12.946 -5.487 -8.574 1.00 49.73 H new ATOM 0 HD12 ILE A 43 11.500 -5.625 -9.601 1.00 49.73 H new ATOM 0 HD13 ILE A 43 11.348 -5.738 -7.832 1.00 49.73 H new ATOM 559 N ILE A 44 9.186 -10.546 -10.464 1.00 49.53 N ATOM 560 CA ILE A 44 7.897 -11.221 -10.554 1.00 50.07 C ATOM 561 C ILE A 44 8.027 -12.702 -10.219 1.00 50.51 C ATOM 562 O ILE A 44 7.043 -13.360 -9.880 1.00 49.49 O ATOM 563 CB ILE A 44 7.280 -11.073 -11.956 1.00 49.91 C ATOM 564 CG1 ILE A 44 5.792 -11.431 -11.924 1.00 49.82 C ATOM 565 CG2 ILE A 44 8.019 -11.947 -12.958 1.00 49.73 C ATOM 566 CD1 ILE A 44 5.029 -10.983 -13.151 1.00 49.73 C ATOM 0 H ILE A 44 9.495 -10.111 -11.333 1.00 49.53 H new ATOM 0 HA ILE A 44 7.240 -10.744 -9.827 1.00 50.07 H new ATOM 0 HB ILE A 44 7.378 -10.034 -12.270 1.00 49.91 H new ATOM 0 HG12 ILE A 44 5.690 -12.511 -11.819 1.00 49.82 H new ATOM 0 HG13 ILE A 44 5.338 -10.980 -11.041 1.00 49.82 H new ATOM 0 HG21 ILE A 44 7.569 -11.830 -13.944 1.00 49.73 H new ATOM 0 HG22 ILE A 44 9.066 -11.648 -12.999 1.00 49.73 H new ATOM 0 HG23 ILE A 44 7.952 -12.990 -12.650 1.00 49.73 H new ATOM 0 HD11 ILE A 44 3.983 -11.272 -13.055 1.00 49.73 H new ATOM 0 HD12 ILE A 44 5.098 -9.899 -13.247 1.00 49.73 H new ATOM 0 HD13 ILE A 44 5.455 -11.454 -14.037 1.00 49.73 H new ATOM 578 N ASN A 45 9.246 -13.221 -10.317 1.00 49.53 N ATOM 579 CA ASN A 45 9.525 -14.599 -9.930 1.00 50.07 C ATOM 580 C ASN A 45 9.447 -14.773 -8.419 1.00 50.51 C ATOM 581 O ASN A 45 9.065 -15.834 -7.926 1.00 49.49 O ATOM 582 CB ASN A 45 10.880 -15.055 -10.442 1.00 49.82 C ATOM 583 CG ASN A 45 10.918 -15.288 -11.926 1.00 50.55 C ATOM 584 OD1 ASN A 45 9.884 -15.503 -12.568 1.00 49.45 O ATOM 585 ND2 ASN A 45 12.112 -15.325 -12.461 1.00 49.38 N ATOM 0 H ASN A 45 10.057 -12.708 -10.661 1.00 49.53 H new ATOM 0 HA ASN A 45 8.759 -15.224 -10.389 1.00 50.07 H new ATOM 0 HB2 ASN A 45 11.628 -14.306 -10.182 1.00 49.82 H new ATOM 0 HB3 ASN A 45 11.160 -15.976 -9.931 1.00 49.82 H new ATOM 0 HD21 ASN A 45 12.220 -15.539 -13.452 1.00 49.38 H new ATOM 0 HD22 ASN A 45 12.934 -15.140 -11.887 1.00 49.38 H new ATOM 592 N ASP A 46 9.812 -13.726 -7.688 1.00 49.53 N ATOM 593 CA ASP A 46 9.745 -13.747 -6.232 1.00 50.07 C ATOM 594 C ASP A 46 8.335 -13.447 -5.740 1.00 50.51 C ATOM 595 O ASP A 46 7.708 -12.481 -6.176 1.00 49.49 O ATOM 596 CB ASP A 46 10.735 -12.744 -5.634 1.00 49.72 C ATOM 597 CG ASP A 46 11.118 -13.024 -4.187 1.00 50.62 C ATOM 598 OD1 ASP A 46 10.268 -12.912 -3.335 1.00 49.24 O ATOM 599 OD2 ASP A 46 12.207 -13.497 -3.963 1.00 49.24 O ATOM 0 H ASP A 46 10.158 -12.851 -8.081 1.00 49.53 H new ATOM 0 HA ASP A 46 10.015 -14.750 -5.902 1.00 50.07 H new ATOM 0 HB2 ASP A 46 11.640 -12.739 -6.242 1.00 49.72 H new ATOM 0 HB3 ASP A 46 10.303 -11.745 -5.696 1.00 49.72 H new ATOM 604 N PRO A 47 7.840 -14.278 -4.830 1.00 49.71 N ATOM 605 CA PRO A 47 6.513 -14.088 -4.259 1.00 50.02 C ATOM 606 C PRO A 47 6.369 -12.701 -3.649 1.00 50.51 C ATOM 607 O PRO A 47 5.262 -12.174 -3.535 1.00 49.49 O ATOM 608 CB PRO A 47 6.395 -15.200 -3.203 1.00 49.82 C ATOM 609 CG PRO A 47 7.320 -16.286 -3.678 1.00 49.82 C ATOM 610 CD PRO A 47 8.583 -15.356 -4.163 1.00 50.00 C ATOM 0 HA PRO A 47 5.720 -14.150 -5.005 1.00 50.02 H new ATOM 0 HB2 PRO A 47 6.684 -14.839 -2.216 1.00 49.82 H new ATOM 0 HB3 PRO A 47 5.370 -15.561 -3.123 1.00 49.82 H new ATOM 0 HG2 PRO A 47 7.591 -16.984 -2.886 1.00 49.82 H new ATOM 0 HG3 PRO A 47 6.895 -16.875 -4.490 1.00 49.82 H new ATOM 0 HD2 PRO A 47 9.185 -14.997 -3.328 1.00 50.00 H new ATOM 0 HD3 PRO A 47 9.257 -15.882 -4.839 1.00 50.00 H new ATOM 618 N ARG A 48 7.494 -12.112 -3.259 1.00 49.53 N ATOM 619 CA ARG A 48 7.495 -10.788 -2.647 1.00 50.07 C ATOM 620 C ARG A 48 7.018 -9.727 -3.630 1.00 50.51 C ATOM 621 O ARG A 48 6.668 -8.615 -3.236 1.00 49.49 O ATOM 622 CB ARG A 48 8.849 -10.431 -2.054 1.00 49.82 C ATOM 623 CG ARG A 48 9.227 -11.211 -0.806 1.00 49.82 C ATOM 624 CD ARG A 48 10.564 -10.871 -0.252 1.00 50.20 C ATOM 625 NE ARG A 48 10.949 -11.650 0.913 1.00 49.30 N ATOM 626 CZ ARG A 48 12.194 -11.695 1.427 1.00 50.64 C ATOM 627 NH1 ARG A 48 13.183 -11.039 0.862 1.00 49.20 N ATOM 628 NH2 ARG A 48 12.400 -12.435 2.502 1.00 49.20 N ATOM 0 H ARG A 48 8.419 -12.531 -3.356 1.00 49.53 H new ATOM 0 HA ARG A 48 6.787 -10.817 -1.818 1.00 50.07 H new ATOM 0 HB2 ARG A 48 9.615 -10.593 -2.812 1.00 49.82 H new ATOM 0 HB3 ARG A 48 8.856 -9.367 -1.816 1.00 49.82 H new ATOM 0 HG2 ARG A 48 8.473 -11.033 -0.039 1.00 49.82 H new ATOM 0 HG3 ARG A 48 9.203 -12.276 -1.036 1.00 49.82 H new ATOM 0 HD2 ARG A 48 11.313 -11.012 -1.031 1.00 50.20 H new ATOM 0 HD3 ARG A 48 10.575 -9.814 0.013 1.00 50.20 H new ATOM 0 HE ARG A 48 10.226 -12.202 1.374 1.00 49.30 H new ATOM 0 HH11 ARG A 48 13.014 -10.486 0.022 1.00 49.20 H new ATOM 0 HH12 ARG A 48 14.120 -11.083 1.264 1.00 49.20 H new ATOM 0 HH21 ARG A 48 11.627 -12.953 2.920 1.00 49.20 H new ATOM 0 HH22 ARG A 48 13.332 -12.488 2.913 1.00 49.20 H new ATOM 642 N TYR A 49 7.007 -10.076 -4.912 1.00 49.53 N ATOM 643 CA TYR A 49 6.487 -9.189 -5.944 1.00 50.07 C ATOM 644 C TYR A 49 5.087 -8.700 -5.595 1.00 50.51 C ATOM 645 O TYR A 49 4.675 -7.617 -6.012 1.00 49.49 O ATOM 646 CB TYR A 49 6.473 -9.895 -7.302 1.00 49.82 C ATOM 647 CG TYR A 49 5.852 -9.077 -8.412 1.00 50.00 C ATOM 648 CD1 TYR A 49 6.553 -8.040 -9.009 1.00 49.88 C ATOM 649 CD2 TYR A 49 4.568 -9.347 -8.861 1.00 49.88 C ATOM 650 CE1 TYR A 49 5.990 -7.289 -10.025 1.00 49.88 C ATOM 651 CE2 TYR A 49 3.996 -8.604 -9.876 1.00 49.88 C ATOM 652 CZ TYR A 49 4.711 -7.576 -10.455 1.00 50.11 C ATOM 653 OH TYR A 49 4.146 -6.833 -11.466 1.00 49.46 O ATOM 0 H TYR A 49 7.353 -10.970 -5.261 1.00 49.53 H new ATOM 0 HA TYR A 49 7.147 -8.323 -6.002 1.00 50.07 H new ATOM 0 HB2 TYR A 49 7.496 -10.148 -7.579 1.00 49.82 H new ATOM 0 HB3 TYR A 49 5.927 -10.834 -7.207 1.00 49.82 H new ATOM 0 HD1 TYR A 49 7.555 -7.815 -8.675 1.00 49.88 H new ATOM 0 HD2 TYR A 49 4.006 -10.151 -8.410 1.00 49.88 H new ATOM 0 HE1 TYR A 49 6.548 -6.483 -10.479 1.00 49.88 H new ATOM 0 HE2 TYR A 49 2.995 -8.827 -10.214 1.00 49.88 H new ATOM 0 HH TYR A 49 3.242 -7.165 -11.650 1.00 49.46 H new ATOM 663 N SER A 50 4.359 -9.505 -4.828 1.00 49.53 N ATOM 664 CA SER A 50 3.004 -9.154 -4.419 1.00 50.07 C ATOM 665 C SER A 50 2.953 -7.750 -3.829 1.00 50.51 C ATOM 666 O SER A 50 1.934 -7.066 -3.917 1.00 49.49 O ATOM 667 CB SER A 50 2.482 -10.167 -3.419 1.00 50.05 C ATOM 668 OG SER A 50 3.221 -10.161 -2.229 1.00 49.34 O ATOM 0 H SER A 50 4.685 -10.405 -4.477 1.00 49.53 H new ATOM 0 HA SER A 50 2.367 -9.168 -5.304 1.00 50.07 H new ATOM 0 HB2 SER A 50 1.437 -9.952 -3.197 1.00 50.05 H new ATOM 0 HB3 SER A 50 2.515 -11.163 -3.861 1.00 50.05 H new ATOM 0 HG SER A 50 4.006 -10.739 -2.329 1.00 49.34 H new ATOM 674 N ALA A 51 4.059 -7.326 -3.227 1.00 49.53 N ATOM 675 CA ALA A 51 4.142 -6.004 -2.620 1.00 50.07 C ATOM 676 C ALA A 51 3.767 -4.916 -3.618 1.00 50.51 C ATOM 677 O ALA A 51 3.167 -3.904 -3.254 1.00 49.49 O ATOM 678 CB ALA A 51 5.539 -5.762 -2.067 1.00 49.73 C ATOM 0 H ALA A 51 4.911 -7.880 -3.147 1.00 49.53 H new ATOM 0 HA ALA A 51 3.428 -5.964 -1.797 1.00 50.07 H new ATOM 0 HB1 ALA A 51 5.585 -4.770 -1.617 1.00 49.73 H new ATOM 0 HB2 ALA A 51 5.767 -6.514 -1.312 1.00 49.73 H new ATOM 0 HB3 ALA A 51 6.267 -5.828 -2.876 1.00 49.73 H new ATOM 684 N LEU A 52 4.124 -5.129 -4.880 1.00 49.53 N ATOM 685 CA LEU A 52 3.818 -4.170 -5.936 1.00 50.07 C ATOM 686 C LEU A 52 2.548 -4.559 -6.680 1.00 50.51 C ATOM 687 O LEU A 52 1.822 -3.699 -7.182 1.00 49.49 O ATOM 688 CB LEU A 52 4.996 -4.063 -6.912 1.00 49.82 C ATOM 689 CG LEU A 52 6.310 -3.561 -6.296 1.00 49.91 C ATOM 690 CD1 LEU A 52 7.420 -3.596 -7.338 1.00 49.73 C ATOM 691 CD2 LEU A 52 6.115 -2.150 -5.763 1.00 49.73 C ATOM 0 H LEU A 52 4.626 -5.958 -5.197 1.00 49.53 H new ATOM 0 HA LEU A 52 3.652 -3.197 -5.473 1.00 50.07 H new ATOM 0 HB2 LEU A 52 5.172 -5.044 -7.354 1.00 49.82 H new ATOM 0 HB3 LEU A 52 4.715 -3.393 -7.724 1.00 49.82 H new ATOM 0 HG LEU A 52 6.597 -4.211 -5.469 1.00 49.91 H new ATOM 0 HD11 LEU A 52 8.348 -3.238 -6.893 1.00 49.73 H new ATOM 0 HD12 LEU A 52 7.557 -4.619 -7.690 1.00 49.73 H new ATOM 0 HD13 LEU A 52 7.151 -2.956 -8.178 1.00 49.73 H new ATOM 0 HD21 LEU A 52 7.048 -1.794 -5.326 1.00 49.73 H new ATOM 0 HD22 LEU A 52 5.822 -1.490 -6.579 1.00 49.73 H new ATOM 0 HD23 LEU A 52 5.335 -2.153 -5.001 1.00 49.73 H new ATOM 703 N ALA A 53 2.282 -5.858 -6.749 1.00 49.53 N ATOM 704 CA ALA A 53 1.098 -6.363 -7.435 1.00 50.07 C ATOM 705 C ALA A 53 -0.177 -5.817 -6.809 1.00 50.51 C ATOM 706 O ALA A 53 -1.197 -5.664 -7.483 1.00 49.49 O ATOM 707 CB ALA A 53 1.088 -7.884 -7.425 1.00 49.73 C ATOM 0 H ALA A 53 2.871 -6.582 -6.338 1.00 49.53 H new ATOM 0 HA ALA A 53 1.136 -6.020 -8.469 1.00 50.07 H new ATOM 0 HB1 ALA A 53 0.198 -8.245 -7.941 1.00 49.73 H new ATOM 0 HB2 ALA A 53 1.978 -8.257 -7.932 1.00 49.73 H new ATOM 0 HB3 ALA A 53 1.081 -8.241 -6.395 1.00 49.73 H new ATOM 713 N LYS A 54 -0.116 -5.523 -5.514 1.00 49.53 N ATOM 714 CA LYS A 54 -1.262 -4.980 -4.795 1.00 50.07 C ATOM 715 C LYS A 54 -1.734 -3.672 -5.419 1.00 50.51 C ATOM 716 O LYS A 54 -2.917 -3.339 -5.361 1.00 49.49 O ATOM 717 CB LYS A 54 -0.918 -4.766 -3.321 1.00 49.82 C ATOM 718 CG LYS A 54 -0.834 -6.047 -2.502 1.00 49.82 C ATOM 719 CD LYS A 54 -0.416 -5.760 -1.067 1.00 49.82 C ATOM 720 CE LYS A 54 -0.295 -7.043 -0.259 1.00 50.21 C ATOM 721 NZ LYS A 54 0.125 -6.779 1.144 1.00 49.70 N ATOM 0 H LYS A 54 0.717 -5.652 -4.940 1.00 49.53 H new ATOM 0 HA LYS A 54 -2.074 -5.704 -4.866 1.00 50.07 H new ATOM 0 HB2 LYS A 54 0.037 -4.244 -3.255 1.00 49.82 H new ATOM 0 HB3 LYS A 54 -1.669 -4.113 -2.876 1.00 49.82 H new ATOM 0 HG2 LYS A 54 -1.802 -6.549 -2.508 1.00 49.82 H new ATOM 0 HG3 LYS A 54 -0.119 -6.729 -2.962 1.00 49.82 H new ATOM 0 HD2 LYS A 54 0.538 -5.234 -1.062 1.00 49.82 H new ATOM 0 HD3 LYS A 54 -1.146 -5.100 -0.598 1.00 49.82 H new ATOM 0 HE2 LYS A 54 -1.253 -7.564 -0.259 1.00 50.21 H new ATOM 0 HE3 LYS A 54 0.428 -7.705 -0.736 1.00 50.21 H new ATOM 0 HZ1 LYS A 54 0.196 -7.679 1.660 1.00 49.70 H new ATOM 0 HZ2 LYS A 54 1.051 -6.305 1.146 1.00 49.70 H new ATOM 0 HZ3 LYS A 54 -0.577 -6.168 1.608 1.00 49.70 H new ATOM 735 N LEU A 55 -0.802 -2.936 -6.014 1.00 49.53 N ATOM 736 CA LEU A 55 -1.120 -1.657 -6.637 1.00 50.07 C ATOM 737 C LEU A 55 -1.316 -1.811 -8.140 1.00 50.51 C ATOM 738 O LEU A 55 -0.363 -2.059 -8.878 1.00 49.49 O ATOM 739 CB LEU A 55 -0.012 -0.635 -6.346 1.00 49.82 C ATOM 740 CG LEU A 55 -0.235 0.758 -6.948 1.00 49.91 C ATOM 741 CD1 LEU A 55 -1.510 1.371 -6.388 1.00 49.73 C ATOM 742 CD2 LEU A 55 0.967 1.641 -6.645 1.00 49.73 C ATOM 0 H LEU A 55 0.180 -3.203 -6.078 1.00 49.53 H new ATOM 0 HA LEU A 55 -2.056 -1.296 -6.211 1.00 50.07 H new ATOM 0 HB2 LEU A 55 0.093 -0.534 -5.266 1.00 49.82 H new ATOM 0 HB3 LEU A 55 0.932 -1.029 -6.722 1.00 49.82 H new ATOM 0 HG LEU A 55 -0.344 0.674 -8.029 1.00 49.91 H new ATOM 0 HD11 LEU A 55 -1.659 2.360 -6.822 1.00 49.73 H new ATOM 0 HD12 LEU A 55 -2.359 0.734 -6.636 1.00 49.73 H new ATOM 0 HD13 LEU A 55 -1.426 1.459 -5.305 1.00 49.73 H new ATOM 0 HD21 LEU A 55 0.808 2.631 -7.073 1.00 49.73 H new ATOM 0 HD22 LEU A 55 1.092 1.728 -5.566 1.00 49.73 H new ATOM 0 HD23 LEU A 55 1.863 1.197 -7.079 1.00 49.73 H new ATOM 754 N SER A 56 -2.558 -1.663 -8.588 1.00 49.53 N ATOM 755 CA SER A 56 -2.880 -1.776 -10.005 1.00 50.07 C ATOM 756 C SER A 56 -2.221 -0.664 -10.811 1.00 50.51 C ATOM 757 O SER A 56 -1.991 -0.808 -12.011 1.00 49.49 O ATOM 758 CB SER A 56 -4.384 -1.751 -10.201 1.00 50.05 C ATOM 759 OG SER A 56 -4.940 -0.513 -9.853 1.00 49.34 O ATOM 0 H SER A 56 -3.359 -1.464 -7.989 1.00 49.53 H new ATOM 0 HA SER A 56 -2.490 -2.727 -10.367 1.00 50.07 H new ATOM 0 HB2 SER A 56 -4.617 -1.973 -11.242 1.00 50.05 H new ATOM 0 HB3 SER A 56 -4.841 -2.536 -9.598 1.00 50.05 H new ATOM 0 HG SER A 56 -5.909 -0.538 -9.995 1.00 49.34 H new ATOM 765 N GLU A 57 -1.920 0.445 -10.143 1.00 49.53 N ATOM 766 CA GLU A 57 -1.234 1.561 -10.782 1.00 50.07 C ATOM 767 C GLU A 57 0.244 1.254 -10.987 1.00 50.51 C ATOM 768 O GLU A 57 1.102 1.793 -10.287 1.00 49.49 O ATOM 769 CB GLU A 57 -1.397 2.836 -9.952 1.00 49.82 C ATOM 770 CG GLU A 57 -2.808 3.407 -9.947 1.00 49.72 C ATOM 771 CD GLU A 57 -3.237 3.815 -11.329 1.00 50.62 C ATOM 772 OE1 GLU A 57 -2.565 4.621 -11.926 1.00 49.24 O ATOM 773 OE2 GLU A 57 -4.171 3.238 -11.834 1.00 49.24 O ATOM 0 H GLU A 57 -2.141 0.594 -9.158 1.00 49.53 H new ATOM 0 HA GLU A 57 -1.688 1.716 -11.761 1.00 50.07 H new ATOM 0 HB2 GLU A 57 -1.099 2.627 -8.925 1.00 49.82 H new ATOM 0 HB3 GLU A 57 -0.713 3.594 -10.334 1.00 49.82 H new ATOM 0 HG2 GLU A 57 -3.502 2.664 -9.553 1.00 49.72 H new ATOM 0 HG3 GLU A 57 -2.852 4.269 -9.281 1.00 49.72 H new ATOM 780 N LYS A 58 0.535 0.387 -11.951 1.00 49.53 N ATOM 781 CA LYS A 58 1.909 -0.018 -12.226 1.00 50.07 C ATOM 782 C LYS A 58 2.806 1.191 -12.455 1.00 50.51 C ATOM 783 O LYS A 58 3.975 1.190 -12.067 1.00 49.49 O ATOM 784 CB LYS A 58 1.959 -0.947 -13.441 1.00 49.82 C ATOM 785 CG LYS A 58 1.372 -2.332 -13.199 1.00 49.82 C ATOM 786 CD LYS A 58 1.457 -3.196 -14.448 1.00 49.82 C ATOM 787 CE LYS A 58 0.833 -4.564 -14.219 1.00 50.21 C ATOM 788 NZ LYS A 58 0.846 -5.395 -15.454 1.00 49.70 N ATOM 0 H LYS A 58 -0.162 -0.049 -12.555 1.00 49.53 H new ATOM 0 HA LYS A 58 2.279 -0.555 -11.353 1.00 50.07 H new ATOM 0 HB2 LYS A 58 1.422 -0.477 -14.265 1.00 49.82 H new ATOM 0 HB3 LYS A 58 2.996 -1.056 -13.758 1.00 49.82 H new ATOM 0 HG2 LYS A 58 1.906 -2.817 -12.382 1.00 49.82 H new ATOM 0 HG3 LYS A 58 0.331 -2.239 -12.889 1.00 49.82 H new ATOM 0 HD2 LYS A 58 0.950 -2.696 -15.273 1.00 49.82 H new ATOM 0 HD3 LYS A 58 2.500 -3.314 -14.740 1.00 49.82 H new ATOM 0 HE2 LYS A 58 1.375 -5.082 -13.427 1.00 50.21 H new ATOM 0 HE3 LYS A 58 -0.194 -4.441 -13.875 1.00 50.21 H new ATOM 0 HZ1 LYS A 58 0.412 -6.319 -15.255 1.00 49.70 H new ATOM 0 HZ2 LYS A 58 0.308 -4.913 -16.202 1.00 49.70 H new ATOM 0 HZ3 LYS A 58 1.827 -5.534 -15.769 1.00 49.70 H new ATOM 802 N LYS A 59 2.253 2.221 -13.085 1.00 49.53 N ATOM 803 CA LYS A 59 2.981 3.465 -13.307 1.00 50.07 C ATOM 804 C LYS A 59 3.575 3.995 -12.008 1.00 50.51 C ATOM 805 O LYS A 59 4.701 4.489 -11.985 1.00 49.49 O ATOM 806 CB LYS A 59 2.066 4.517 -13.935 1.00 49.82 C ATOM 807 CG LYS A 59 2.748 5.845 -14.236 1.00 49.82 C ATOM 808 CD LYS A 59 1.800 6.809 -14.933 1.00 49.82 C ATOM 809 CE LYS A 59 2.474 8.144 -15.214 1.00 50.21 C ATOM 810 NZ LYS A 59 1.557 9.098 -15.894 1.00 49.70 N ATOM 0 H LYS A 59 1.301 2.219 -13.452 1.00 49.53 H new ATOM 0 HA LYS A 59 3.800 3.253 -13.995 1.00 50.07 H new ATOM 0 HB2 LYS A 59 1.654 4.116 -14.861 1.00 49.82 H new ATOM 0 HB3 LYS A 59 1.226 4.698 -13.264 1.00 49.82 H new ATOM 0 HG2 LYS A 59 3.106 6.291 -13.308 1.00 49.82 H new ATOM 0 HG3 LYS A 59 3.622 5.673 -14.864 1.00 49.82 H new ATOM 0 HD2 LYS A 59 1.455 6.370 -15.869 1.00 49.82 H new ATOM 0 HD3 LYS A 59 0.919 6.968 -14.312 1.00 49.82 H new ATOM 0 HE2 LYS A 59 2.821 8.580 -14.277 1.00 50.21 H new ATOM 0 HE3 LYS A 59 3.355 7.982 -15.835 1.00 50.21 H new ATOM 0 HZ1 LYS A 59 2.055 9.995 -16.067 1.00 49.70 H new ATOM 0 HZ2 LYS A 59 1.246 8.694 -16.800 1.00 49.70 H new ATOM 0 HZ3 LYS A 59 0.728 9.273 -15.290 1.00 49.70 H new ATOM 824 N GLN A 60 2.809 3.889 -10.927 1.00 49.53 N ATOM 825 CA GLN A 60 3.262 4.347 -9.620 1.00 50.07 C ATOM 826 C GLN A 60 4.118 3.293 -8.931 1.00 50.51 C ATOM 827 O GLN A 60 5.132 3.610 -8.311 1.00 49.49 O ATOM 828 CB GLN A 60 2.066 4.702 -8.732 1.00 49.82 C ATOM 829 CG GLN A 60 1.293 5.928 -9.188 1.00 49.82 C ATOM 830 CD GLN A 60 0.094 6.218 -8.305 1.00 50.55 C ATOM 831 OE1 GLN A 60 -0.223 5.450 -7.393 1.00 49.45 O ATOM 832 NE2 GLN A 60 -0.582 7.329 -8.575 1.00 49.38 N ATOM 0 H GLN A 60 1.871 3.489 -10.931 1.00 49.53 H new ATOM 0 HA GLN A 60 3.871 5.238 -9.776 1.00 50.07 H new ATOM 0 HB2 GLN A 60 1.387 3.850 -8.699 1.00 49.82 H new ATOM 0 HB3 GLN A 60 2.420 4.867 -7.714 1.00 49.82 H new ATOM 0 HG2 GLN A 60 1.957 6.793 -9.190 1.00 49.82 H new ATOM 0 HG3 GLN A 60 0.958 5.781 -10.215 1.00 49.82 H new ATOM 0 HE21 GLN A 60 -0.283 7.935 -9.339 1.00 49.38 H new ATOM 0 HE22 GLN A 60 -1.400 7.576 -8.018 1.00 49.38 H new ATOM 841 N ALA A 61 3.702 2.035 -9.045 1.00 49.53 N ATOM 842 CA ALA A 61 4.387 0.938 -8.371 1.00 50.07 C ATOM 843 C ALA A 61 5.843 0.844 -8.810 1.00 50.51 C ATOM 844 O ALA A 61 6.720 0.503 -8.018 1.00 49.49 O ATOM 845 CB ALA A 61 3.665 -0.376 -8.630 1.00 49.73 C ATOM 0 H ALA A 61 2.894 1.751 -9.598 1.00 49.53 H new ATOM 0 HA ALA A 61 4.374 1.139 -7.300 1.00 50.07 H new ATOM 0 HB1 ALA A 61 4.188 -1.185 -8.120 1.00 49.73 H new ATOM 0 HB2 ALA A 61 2.644 -0.310 -8.254 1.00 49.73 H new ATOM 0 HB3 ALA A 61 3.645 -0.575 -9.701 1.00 49.73 H new ATOM 851 N PHE A 62 6.092 1.148 -10.079 1.00 49.53 N ATOM 852 CA PHE A 62 7.430 1.024 -10.648 1.00 50.07 C ATOM 853 C PHE A 62 8.028 2.391 -10.954 1.00 50.51 C ATOM 854 O PHE A 62 9.031 2.496 -11.660 1.00 49.49 O ATOM 855 CB PHE A 62 7.393 0.169 -11.917 1.00 49.82 C ATOM 856 CG PHE A 62 6.849 -1.215 -11.700 1.00 50.00 C ATOM 857 CD1 PHE A 62 7.597 -2.172 -11.032 1.00 49.88 C ATOM 858 CD2 PHE A 62 5.589 -1.560 -12.163 1.00 49.88 C ATOM 859 CE1 PHE A 62 7.099 -3.446 -10.832 1.00 49.88 C ATOM 860 CE2 PHE A 62 5.088 -2.833 -11.964 1.00 49.88 C ATOM 861 CZ PHE A 62 5.843 -3.775 -11.299 1.00 49.88 C ATOM 0 H PHE A 62 5.385 1.482 -10.734 1.00 49.53 H new ATOM 0 HA PHE A 62 8.064 0.534 -9.909 1.00 50.07 H new ATOM 0 HB2 PHE A 62 6.785 0.675 -12.667 1.00 49.82 H new ATOM 0 HB3 PHE A 62 8.402 0.093 -12.323 1.00 49.82 H new ATOM 0 HD1 PHE A 62 8.580 -1.919 -10.664 1.00 49.88 H new ATOM 0 HD2 PHE A 62 4.992 -0.827 -12.685 1.00 49.88 H new ATOM 0 HE1 PHE A 62 7.692 -4.183 -10.311 1.00 49.88 H new ATOM 0 HE2 PHE A 62 4.105 -3.089 -12.330 1.00 49.88 H new ATOM 0 HZ PHE A 62 5.452 -4.770 -11.144 1.00 49.88 H new ATOM 871 N ASN A 63 7.407 3.436 -10.419 1.00 49.53 N ATOM 872 CA ASN A 63 7.800 4.804 -10.734 1.00 50.07 C ATOM 873 C ASN A 63 9.229 5.083 -10.284 1.00 50.51 C ATOM 874 O ASN A 63 9.885 5.989 -10.799 1.00 49.49 O ATOM 875 CB ASN A 63 6.849 5.812 -10.114 1.00 49.82 C ATOM 876 CG ASN A 63 7.053 7.218 -10.604 1.00 50.55 C ATOM 877 OD1 ASN A 63 7.489 8.070 -9.711 1.00 49.45 O flip ATOM 878 ND2 ASN A 63 6.890 7.512 -11.794 1.00 49.38 N flip ATOM 0 H ASN A 63 6.628 3.362 -9.764 1.00 49.53 H new ATOM 0 HA ASN A 63 7.751 4.912 -11.818 1.00 50.07 H new ATOM 0 HB2 ASN A 63 5.824 5.508 -10.326 1.00 49.82 H new ATOM 0 HB3 ASN A 63 6.970 5.793 -9.031 1.00 49.82 H new ATOM 0 HD21 ASN A 63 6.548 6.810 -12.450 1.00 49.38 H new ATOM 0 HD22 ASN A 63 7.098 8.456 -12.119 1.00 49.38 H new ATOM 885 N ALA A 64 9.705 4.301 -9.322 1.00 49.53 N ATOM 886 CA ALA A 64 11.038 4.497 -8.765 1.00 50.07 C ATOM 887 C ALA A 64 12.091 4.564 -9.863 1.00 50.51 C ATOM 888 O ALA A 64 13.069 5.303 -9.756 1.00 49.49 O ATOM 889 CB ALA A 64 11.367 3.387 -7.777 1.00 49.73 C ATOM 0 H ALA A 64 9.187 3.524 -8.911 1.00 49.53 H new ATOM 0 HA ALA A 64 11.046 5.451 -8.237 1.00 50.07 H new ATOM 0 HB1 ALA A 64 12.365 3.547 -7.369 1.00 49.73 H new ATOM 0 HB2 ALA A 64 10.639 3.394 -6.966 1.00 49.73 H new ATOM 0 HB3 ALA A 64 11.333 2.424 -8.287 1.00 49.73 H new ATOM 895 N TYR A 65 11.885 3.787 -10.921 1.00 49.53 N ATOM 896 CA TYR A 65 12.827 3.739 -12.033 1.00 50.07 C ATOM 897 C TYR A 65 12.134 4.031 -13.357 1.00 50.51 C ATOM 898 O TYR A 65 12.765 4.484 -14.313 1.00 49.49 O ATOM 899 CB TYR A 65 13.517 2.374 -12.092 1.00 49.82 C ATOM 900 CG TYR A 65 14.411 2.087 -10.906 1.00 50.00 C ATOM 901 CD1 TYR A 65 13.901 1.517 -9.749 1.00 49.88 C ATOM 902 CD2 TYR A 65 15.765 2.388 -10.948 1.00 49.88 C ATOM 903 CE1 TYR A 65 14.714 1.253 -8.664 1.00 49.88 C ATOM 904 CE2 TYR A 65 16.588 2.128 -9.869 1.00 49.88 C ATOM 905 CZ TYR A 65 16.058 1.561 -8.728 1.00 50.11 C ATOM 906 OH TYR A 65 16.873 1.300 -7.651 1.00 49.46 O ATOM 0 H TYR A 65 11.072 3.181 -11.032 1.00 49.53 H new ATOM 0 HA TYR A 65 13.579 4.510 -11.865 1.00 50.07 H new ATOM 0 HB2 TYR A 65 12.756 1.596 -12.158 1.00 49.82 H new ATOM 0 HB3 TYR A 65 14.111 2.317 -13.004 1.00 49.82 H new ATOM 0 HD1 TYR A 65 12.850 1.275 -9.695 1.00 49.88 H new ATOM 0 HD2 TYR A 65 16.183 2.833 -11.839 1.00 49.88 H new ATOM 0 HE1 TYR A 65 14.301 0.808 -7.771 1.00 49.88 H new ATOM 0 HE2 TYR A 65 17.640 2.367 -9.918 1.00 49.88 H new ATOM 0 HH TYR A 65 17.790 1.575 -7.860 1.00 49.46 H new ATOM 916 N LYS A 66 10.831 3.770 -13.407 1.00 49.53 N ATOM 917 CA LYS A 66 10.046 4.020 -14.610 1.00 50.07 C ATOM 918 C LYS A 66 9.931 5.513 -14.893 1.00 50.51 C ATOM 919 O LYS A 66 9.303 5.922 -15.869 1.00 49.49 O ATOM 920 CB LYS A 66 8.654 3.400 -14.479 1.00 49.82 C ATOM 921 CG LYS A 66 7.728 3.680 -15.655 1.00 49.82 C ATOM 922 CD LYS A 66 6.404 2.947 -15.503 1.00 49.82 C ATOM 923 CE LYS A 66 5.378 3.441 -16.512 1.00 50.21 C ATOM 924 NZ LYS A 66 4.532 2.333 -17.034 1.00 49.70 N ATOM 0 H LYS A 66 10.297 3.385 -12.628 1.00 49.53 H new ATOM 0 HA LYS A 66 10.563 3.554 -15.449 1.00 50.07 H new ATOM 0 HB2 LYS A 66 8.759 2.321 -14.364 1.00 49.82 H new ATOM 0 HB3 LYS A 66 8.187 3.774 -13.568 1.00 49.82 H new ATOM 0 HG2 LYS A 66 7.546 4.752 -15.730 1.00 49.82 H new ATOM 0 HG3 LYS A 66 8.212 3.373 -16.582 1.00 49.82 H new ATOM 0 HD2 LYS A 66 6.561 1.877 -15.636 1.00 49.82 H new ATOM 0 HD3 LYS A 66 6.021 3.090 -14.493 1.00 49.82 H new ATOM 0 HE2 LYS A 66 4.743 4.193 -16.044 1.00 50.21 H new ATOM 0 HE3 LYS A 66 5.891 3.928 -17.342 1.00 50.21 H new ATOM 0 HZ1 LYS A 66 3.847 2.712 -17.718 1.00 49.70 H new ATOM 0 HZ2 LYS A 66 5.135 1.627 -17.503 1.00 49.70 H new ATOM 0 HZ3 LYS A 66 4.023 1.884 -16.246 1.00 49.70 H new TER 938 LYS A 66