USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 828 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 21 ASN :FLIP amide:sc= -0.59 F(o=-7.4,f=-4.6) USER MOD Set 1.2: B 52 ASN : amide:sc= -3.97! C(o=-4.6!,f=-13!) USER MOD Set 2.1: B 26 GLN :FLIP amide:sc= -1.07 F(o=-15!,f=-2.4) USER MOD Set 2.2: B 55 GLN :FLIP amide:sc= -1.36 X(o=-2.8!,f=-2.4) USER MOD Set 3.1: A 28 LYS NZ :NH3+ 151:sc= 0.434 (180deg=-1.96!) USER MOD Set 3.2: B 23 ASN : amide:sc= -9.03! C(o=-7.9!,f=-17!) USER MOD Set 3.3: B 24 SER OG : rot -130:sc= 0.716 USER MOD Set 4.1: A 26 GLN :FLIP amide:sc= -0.614 F(o=-9.5!,f=-3) USER MOD Set 4.2: A 55 GLN :FLIP amide:sc= -2.39! C(o=-7.2!,f=-3!) USER MOD Set 5.1: A 21 ASN : amide:sc= -0.563 K(o=-7.1,f=-9.1) USER MOD Set 5.2: A 52 ASN : amide:sc= -6.58! C(o=-7.1!,f=-16!) USER MOD Set 6.1: A 13 THR OG1 : rot 117:sc= -3.76 USER MOD Set 6.2: B 17 MET CE :methyl -124:sc= -13! (180deg=-13.3!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -3.95! C(o=-4!,f=-9.4!) USER MOD Single : A 7 LYS NZ :NH3+ 152:sc= -0.75 (180deg=-2.95) USER MOD Single : A 18 ASN :FLIP amide:sc= -2.28 F(o=-4.4,f=-2.3) USER MOD Single : A 23 ASN : amide:sc= -0.942 K(o=-0.94,f=-10!) USER MOD Single : A 33 SER OG : rot 76:sc= 0.805 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.3) USER MOD Single : A 41 SER OG : rot -93:sc= 0.541 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= -0.934 (180deg=-0.974) USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= 0.651 (180deg=0.365) USER MOD Single : B 6 ASN :FLIP amide:sc= -0.512 F(o=-3.5!,f=-0.51) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 33 SER OG : rot 89:sc= 0.131 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN :FLIP amide:sc=-0.00238 F(o=-0.62,f=-0.0024) USER MOD Single : B 41 SER OG : rot 160:sc= -1.53 USER MOD Single : B 43 ASN :FLIP amide:sc= -0.0596 F(o=-0.77,f=-0.06) USER MOD Single : B 49 LYS NZ :NH3+ 146:sc= 1.09 (180deg=-0.974!) USER MOD Single : B 50 LYS NZ :NH3+ 165:sc= 0.662 (180deg=0.266) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 6.413 -10.868 6.917 1.00 0.00 N ATOM 46 CA LYS A 4 5.716 -9.997 7.864 1.00 0.00 C ATOM 47 C LYS A 4 5.889 -8.527 7.475 1.00 0.00 C ATOM 48 O LYS A 4 4.926 -7.761 7.485 1.00 0.00 O ATOM 49 CB LYS A 4 6.259 -10.227 9.280 1.00 0.00 C ATOM 50 CG LYS A 4 5.404 -9.456 10.296 1.00 0.00 C ATOM 51 CD LYS A 4 5.970 -9.653 11.707 1.00 0.00 C ATOM 52 CE LYS A 4 5.031 -9.005 12.728 1.00 0.00 C ATOM 53 NZ LYS A 4 5.586 -9.187 14.099 1.00 0.00 N ATOM 0 HA LYS A 4 4.654 -10.240 7.839 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.248 -11.291 9.515 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.296 -9.898 9.340 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.392 -8.396 10.044 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.372 -9.805 10.256 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.080 -10.716 11.921 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.963 -9.209 11.777 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.915 -7.944 12.509 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.040 -9.454 12.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.948 -8.747 14.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.675 -10.202 14.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.523 -8.739 14.157 1.00 0.00 H new ATOM 67 N PHE A 5 7.121 -8.151 7.127 1.00 0.00 N ATOM 68 CA PHE A 5 7.419 -6.783 6.731 1.00 0.00 C ATOM 69 C PHE A 5 6.629 -6.416 5.474 1.00 0.00 C ATOM 70 O PHE A 5 6.118 -5.312 5.372 1.00 0.00 O ATOM 71 CB PHE A 5 8.930 -6.604 6.503 1.00 0.00 C ATOM 72 CG PHE A 5 9.332 -7.116 5.133 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.474 -8.492 4.908 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.558 -6.209 4.088 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.841 -8.960 3.642 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.927 -6.679 2.824 1.00 0.00 C ATOM 77 CZ PHE A 5 10.068 -8.054 2.600 1.00 0.00 C ATOM 0 H PHE A 5 7.925 -8.778 7.113 1.00 0.00 H new ATOM 0 HA PHE A 5 7.119 -6.111 7.535 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.194 -5.550 6.594 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.485 -7.139 7.274 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.300 -9.191 5.712 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.447 -5.148 4.259 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.949 -10.021 3.469 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.104 -5.981 2.019 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.352 -8.415 1.623 1.00 0.00 H new ATOM 87 N ASN A 6 6.521 -7.366 4.536 1.00 0.00 N ATOM 88 CA ASN A 6 5.761 -7.145 3.307 1.00 0.00 C ATOM 89 C ASN A 6 4.300 -6.956 3.651 1.00 0.00 C ATOM 90 O ASN A 6 3.634 -6.057 3.148 1.00 0.00 O ATOM 91 CB ASN A 6 5.885 -8.370 2.403 1.00 0.00 C ATOM 92 CG ASN A 6 5.162 -8.155 1.076 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.428 -7.195 0.374 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.252 -9.007 0.694 1.00 0.00 N ATOM 0 H ASN A 6 6.949 -8.289 4.607 1.00 0.00 H new ATOM 0 HA ASN A 6 6.150 -6.262 2.799 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.938 -8.582 2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.470 -9.242 2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.764 -8.869 -0.191 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.028 -9.811 1.280 1.00 0.00 H new ATOM 101 N LYS A 7 3.826 -7.822 4.534 1.00 0.00 N ATOM 102 CA LYS A 7 2.456 -7.788 4.979 1.00 0.00 C ATOM 103 C LYS A 7 2.194 -6.445 5.639 1.00 0.00 C ATOM 104 O LYS A 7 1.177 -5.801 5.399 1.00 0.00 O ATOM 105 CB LYS A 7 2.228 -8.946 5.965 1.00 0.00 C ATOM 106 CG LYS A 7 0.738 -9.276 6.039 1.00 0.00 C ATOM 107 CD LYS A 7 0.524 -10.659 6.668 1.00 0.00 C ATOM 108 CE LYS A 7 -0.700 -11.321 6.026 1.00 0.00 C ATOM 109 NZ LYS A 7 -1.912 -10.489 6.282 1.00 0.00 N ATOM 0 H LYS A 7 4.385 -8.563 4.957 1.00 0.00 H new ATOM 0 HA LYS A 7 1.768 -7.905 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.789 -9.824 5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.599 -8.673 6.953 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.221 -8.518 6.628 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.305 -9.254 5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.408 -11.280 6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.378 -10.564 7.744 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.544 -11.434 4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.841 -12.322 6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.599 -10.631 5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.341 -10.769 7.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.642 -9.486 6.323 1.00 0.00 H new ATOM 123 N GLU A 8 3.150 -6.023 6.453 1.00 0.00 N ATOM 124 CA GLU A 8 3.048 -4.748 7.139 1.00 0.00 C ATOM 125 C GLU A 8 3.261 -3.581 6.176 1.00 0.00 C ATOM 126 O GLU A 8 2.578 -2.570 6.259 1.00 0.00 O ATOM 127 CB GLU A 8 4.047 -4.708 8.297 1.00 0.00 C ATOM 128 CG GLU A 8 3.977 -3.357 9.027 1.00 0.00 C ATOM 129 CD GLU A 8 5.068 -3.281 10.095 1.00 0.00 C ATOM 130 OE1 GLU A 8 4.894 -3.892 11.138 1.00 0.00 O ATOM 131 OE2 GLU A 8 6.063 -2.613 9.856 1.00 0.00 O ATOM 0 H GLU A 8 4.003 -6.545 6.653 1.00 0.00 H new ATOM 0 HA GLU A 8 2.041 -4.645 7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.834 -5.517 8.996 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.056 -4.871 7.919 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.098 -2.542 8.313 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.997 -3.234 9.488 1.00 0.00 H new ATOM 138 N LEU A 9 4.184 -3.761 5.243 1.00 0.00 N ATOM 139 CA LEU A 9 4.469 -2.748 4.219 1.00 0.00 C ATOM 140 C LEU A 9 3.195 -2.499 3.449 1.00 0.00 C ATOM 141 O LEU A 9 2.861 -1.361 3.126 1.00 0.00 O ATOM 142 CB LEU A 9 5.578 -3.267 3.287 1.00 0.00 C ATOM 143 CG LEU A 9 5.747 -2.334 2.077 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.543 -1.083 2.432 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.477 -3.068 0.973 1.00 0.00 C ATOM 0 H LEU A 9 4.756 -4.602 5.168 1.00 0.00 H new ATOM 0 HA LEU A 9 4.812 -1.817 4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.518 -3.336 3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.333 -4.273 2.946 1.00 0.00 H new ATOM 0 HG LEU A 9 4.751 -2.032 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.640 -0.451 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.025 -0.533 3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.534 -1.370 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.597 -2.407 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.458 -3.381 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.902 -3.946 0.678 1.00 0.00 H new ATOM 157 N GLY A 10 2.464 -3.570 3.200 1.00 0.00 N ATOM 158 CA GLY A 10 1.218 -3.458 2.518 1.00 0.00 C ATOM 159 C GLY A 10 0.176 -2.858 3.437 1.00 0.00 C ATOM 160 O GLY A 10 -0.636 -2.033 3.033 1.00 0.00 O ATOM 0 H GLY A 10 2.724 -4.520 3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.334 -2.835 1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.891 -4.440 2.177 1.00 0.00 H new ATOM 164 N TRP A 11 0.173 -3.313 4.679 1.00 0.00 N ATOM 165 CA TRP A 11 -0.812 -2.831 5.615 1.00 0.00 C ATOM 166 C TRP A 11 -0.633 -1.407 6.032 1.00 0.00 C ATOM 167 O TRP A 11 -1.597 -0.641 6.003 1.00 0.00 O ATOM 168 CB TRP A 11 -0.944 -3.735 6.820 1.00 0.00 C ATOM 169 CG TRP A 11 -2.408 -3.826 7.162 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.882 -3.920 8.406 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.592 -3.803 6.273 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.265 -3.989 8.362 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.746 -3.911 7.071 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.776 -3.709 4.869 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -6.024 -3.922 6.510 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.042 -3.718 4.303 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.177 -3.822 5.119 1.00 0.00 C ATOM 0 H TRP A 11 0.829 -4.000 5.051 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.748 -2.858 5.057 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.539 -4.724 6.603 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.378 -3.336 7.662 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.283 -3.939 9.304 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.858 -4.086 9.186 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.911 -3.629 4.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.893 -4.007 7.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.154 -3.645 3.231 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.164 -3.825 4.679 1.00 0.00 H new ATOM 188 N ALA A 12 0.561 -1.037 6.421 1.00 0.00 N ATOM 189 CA ALA A 12 0.771 0.319 6.835 1.00 0.00 C ATOM 190 C ALA A 12 0.359 1.240 5.682 1.00 0.00 C ATOM 191 O ALA A 12 -0.288 2.255 5.894 1.00 0.00 O ATOM 192 CB ALA A 12 2.230 0.526 7.237 1.00 0.00 C ATOM 0 H ALA A 12 1.382 -1.642 6.458 1.00 0.00 H new ATOM 0 HA ALA A 12 0.164 0.554 7.710 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.378 1.560 7.550 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.478 -0.142 8.062 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.876 0.308 6.387 1.00 0.00 H new ATOM 198 N THR A 13 0.673 0.811 4.453 1.00 0.00 N ATOM 199 CA THR A 13 0.282 1.538 3.250 1.00 0.00 C ATOM 200 C THR A 13 -1.230 1.737 3.218 1.00 0.00 C ATOM 201 O THR A 13 -1.705 2.841 2.971 1.00 0.00 O ATOM 202 CB THR A 13 0.745 0.717 2.050 1.00 0.00 C ATOM 203 OG1 THR A 13 2.134 0.895 1.900 1.00 0.00 O ATOM 204 CG2 THR A 13 0.030 1.140 0.773 1.00 0.00 C ATOM 0 H THR A 13 1.201 -0.043 4.271 1.00 0.00 H new ATOM 0 HA THR A 13 0.740 2.527 3.231 1.00 0.00 H new ATOM 0 HB THR A 13 0.507 -0.332 2.226 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.590 0.038 2.034 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.385 0.534 -0.061 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.044 0.998 0.893 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.237 2.191 0.571 1.00 0.00 H new ATOM 212 N TRP A 14 -1.964 0.661 3.488 1.00 0.00 N ATOM 213 CA TRP A 14 -3.429 0.692 3.507 1.00 0.00 C ATOM 214 C TRP A 14 -3.955 1.591 4.609 1.00 0.00 C ATOM 215 O TRP A 14 -4.863 2.382 4.399 1.00 0.00 O ATOM 216 CB TRP A 14 -3.925 -0.708 3.794 1.00 0.00 C ATOM 217 CG TRP A 14 -5.388 -0.854 3.513 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.360 -0.865 4.453 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.055 -1.054 2.239 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.566 -1.135 3.848 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.431 -1.255 2.487 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.611 -1.105 0.907 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.317 -1.514 1.457 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.499 -1.355 -0.116 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.841 -1.570 0.153 1.00 0.00 C ATOM 0 H TRP A 14 -1.566 -0.254 3.699 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.775 1.069 2.545 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.367 -1.422 3.188 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.730 -0.955 4.838 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.213 -0.690 5.509 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.450 -1.234 4.348 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.566 -0.947 0.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.365 -1.671 1.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.146 -1.384 -1.136 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.522 -1.783 -0.657 1.00 0.00 H new ATOM 236 N GLU A 15 -3.382 1.434 5.792 1.00 0.00 N ATOM 237 CA GLU A 15 -3.801 2.207 6.947 1.00 0.00 C ATOM 238 C GLU A 15 -3.578 3.695 6.674 1.00 0.00 C ATOM 239 O GLU A 15 -4.420 4.529 7.014 1.00 0.00 O ATOM 240 CB GLU A 15 -3.024 1.714 8.170 1.00 0.00 C ATOM 241 CG GLU A 15 -3.404 0.242 8.447 1.00 0.00 C ATOM 242 CD GLU A 15 -2.447 -0.364 9.473 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.678 -0.174 10.655 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.495 -1.005 9.058 1.00 0.00 O ATOM 0 H GLU A 15 -2.624 0.777 5.976 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.865 2.073 7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.952 1.799 7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.255 2.332 9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.428 0.186 8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.367 -0.332 7.521 1.00 0.00 H new ATOM 251 N ILE A 16 -2.474 4.001 5.988 1.00 0.00 N ATOM 252 CA ILE A 16 -2.169 5.376 5.583 1.00 0.00 C ATOM 253 C ILE A 16 -3.169 5.787 4.493 1.00 0.00 C ATOM 254 O ILE A 16 -3.627 6.928 4.433 1.00 0.00 O ATOM 255 CB ILE A 16 -0.723 5.439 5.033 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.277 5.108 6.152 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.403 6.837 4.482 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.684 4.889 5.571 1.00 0.00 C ATOM 0 H ILE A 16 -1.776 3.315 5.701 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.249 6.054 6.432 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.640 4.711 4.226 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.300 5.920 6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.046 4.213 6.684 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.619 6.853 4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.094 7.077 3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.506 7.574 5.278 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.379 4.656 6.378 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.660 4.061 4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.012 5.795 5.061 1.00 0.00 H new ATOM 270 N PHE A 17 -3.498 4.807 3.647 1.00 0.00 N ATOM 271 CA PHE A 17 -4.447 4.976 2.543 1.00 0.00 C ATOM 272 C PHE A 17 -5.851 5.258 3.088 1.00 0.00 C ATOM 273 O PHE A 17 -6.613 6.036 2.512 1.00 0.00 O ATOM 274 CB PHE A 17 -4.480 3.664 1.741 1.00 0.00 C ATOM 275 CG PHE A 17 -4.695 3.896 0.265 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.601 4.161 -0.572 1.00 0.00 C ATOM 277 CD2 PHE A 17 -5.979 3.787 -0.277 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.793 4.316 -1.943 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.172 3.953 -1.650 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.080 4.215 -2.480 1.00 0.00 C ATOM 0 H PHE A 17 -3.110 3.866 3.710 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.137 5.812 1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.543 3.128 1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.276 3.026 2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.609 4.245 -0.153 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.821 3.575 0.365 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.950 4.514 -2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.164 3.879 -2.069 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.230 4.340 -3.542 1.00 0.00 H new ATOM 290 N ASN A 18 -6.180 4.575 4.187 1.00 0.00 N ATOM 291 CA ASN A 18 -7.493 4.683 4.823 1.00 0.00 C ATOM 292 C ASN A 18 -7.550 5.781 5.893 1.00 0.00 C ATOM 293 O ASN A 18 -8.567 5.904 6.582 1.00 0.00 O ATOM 294 CB ASN A 18 -7.855 3.332 5.469 1.00 0.00 C ATOM 295 CG ASN A 18 -8.145 2.271 4.402 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.275 2.038 3.460 1.00 0.00 O flip ATOM 297 ND2 ASN A 18 -9.194 1.630 4.436 1.00 0.00 N flip ATOM 0 H ASN A 18 -5.544 3.933 4.660 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.207 4.951 4.044 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.035 2.998 6.105 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.727 3.454 6.111 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.878 1.809 5.172 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.380 0.919 3.729 1.00 0.00 H new ATOM 304 N LEU A 19 -6.486 6.584 6.044 1.00 0.00 N ATOM 305 CA LEU A 19 -6.514 7.643 7.054 1.00 0.00 C ATOM 306 C LEU A 19 -7.522 8.718 6.639 1.00 0.00 C ATOM 307 O LEU A 19 -7.581 9.089 5.465 1.00 0.00 O ATOM 308 CB LEU A 19 -5.130 8.261 7.255 1.00 0.00 C ATOM 309 CG LEU A 19 -4.426 7.604 8.457 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.050 8.205 8.601 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.188 7.865 9.759 1.00 0.00 C ATOM 0 H LEU A 19 -5.626 6.523 5.499 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.819 7.204 8.004 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.530 8.128 6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.223 9.334 7.420 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.380 6.530 8.278 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.540 7.748 9.449 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.477 8.023 7.692 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.137 9.279 8.766 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.665 7.388 10.588 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.247 8.939 9.937 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.195 7.454 9.680 1.00 0.00 H new ATOM 323 N PRO A 20 -8.339 9.193 7.555 1.00 0.00 N ATOM 324 CA PRO A 20 -9.394 10.203 7.256 1.00 0.00 C ATOM 325 C PRO A 20 -8.924 11.660 7.118 1.00 0.00 C ATOM 326 O PRO A 20 -9.784 12.545 7.073 1.00 0.00 O ATOM 327 CB PRO A 20 -10.371 10.071 8.444 1.00 0.00 C ATOM 328 CG PRO A 20 -9.841 8.992 9.329 1.00 0.00 C ATOM 329 CD PRO A 20 -8.376 8.837 8.981 1.00 0.00 C ATOM 0 HA PRO A 20 -9.819 9.997 6.274 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.446 11.013 8.987 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.373 9.824 8.093 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.965 9.255 10.379 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.380 8.058 9.168 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.747 9.496 9.579 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.025 7.819 9.153 1.00 0.00 H new ATOM 337 N ASN A 21 -7.607 11.954 7.049 1.00 0.00 N ATOM 338 CA ASN A 21 -7.215 13.381 6.924 1.00 0.00 C ATOM 339 C ASN A 21 -5.963 13.619 6.077 1.00 0.00 C ATOM 340 O ASN A 21 -5.563 14.771 5.891 1.00 0.00 O ATOM 341 CB ASN A 21 -7.018 14.014 8.308 1.00 0.00 C ATOM 342 CG ASN A 21 -8.339 14.061 9.074 1.00 0.00 C ATOM 343 OD1 ASN A 21 -9.228 14.840 8.731 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.524 13.274 10.096 1.00 0.00 N ATOM 0 H ASN A 21 -6.843 11.279 7.075 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.043 13.858 6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.284 13.441 8.874 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.619 15.023 8.199 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.404 13.304 10.610 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.788 12.628 10.382 1.00 0.00 H new ATOM 351 N LEU A 22 -5.352 12.563 5.557 1.00 0.00 N ATOM 352 CA LEU A 22 -4.155 12.731 4.728 1.00 0.00 C ATOM 353 C LEU A 22 -4.526 13.114 3.306 1.00 0.00 C ATOM 354 O LEU A 22 -5.572 12.699 2.800 1.00 0.00 O ATOM 355 CB LEU A 22 -3.342 11.443 4.708 1.00 0.00 C ATOM 356 CG LEU A 22 -2.932 11.078 6.132 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.167 9.770 6.117 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.031 12.162 6.716 1.00 0.00 C ATOM 0 H LEU A 22 -5.654 11.597 5.688 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.558 13.533 5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.929 10.636 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.457 11.569 4.084 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.831 10.984 6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.874 9.508 7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.800 8.983 5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.276 9.877 5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.746 11.890 7.732 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.136 12.261 6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.567 13.111 6.732 1.00 0.00 H new ATOM 370 N ASN A 23 -3.651 13.887 2.652 1.00 0.00 N ATOM 371 CA ASN A 23 -3.899 14.288 1.273 1.00 0.00 C ATOM 372 C ASN A 23 -3.166 13.333 0.342 1.00 0.00 C ATOM 373 O ASN A 23 -2.285 12.588 0.779 1.00 0.00 O ATOM 374 CB ASN A 23 -3.477 15.752 1.030 1.00 0.00 C ATOM 375 CG ASN A 23 -1.960 15.908 0.937 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.218 15.207 1.612 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.457 16.800 0.133 1.00 0.00 N ATOM 0 H ASN A 23 -2.781 14.239 3.051 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.968 14.235 1.068 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.935 16.112 0.109 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.856 16.377 1.839 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.446 16.914 0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.074 17.385 -0.430 1.00 0.00 H new ATOM 384 N GLY A 24 -3.554 13.337 -0.927 1.00 0.00 N ATOM 385 CA GLY A 24 -2.955 12.441 -1.911 1.00 0.00 C ATOM 386 C GLY A 24 -1.430 12.424 -1.834 1.00 0.00 C ATOM 387 O GLY A 24 -0.818 11.373 -1.983 1.00 0.00 O ATOM 0 H GLY A 24 -4.280 13.949 -1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.335 11.431 -1.757 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.262 12.747 -2.911 1.00 0.00 H new ATOM 391 N VAL A 25 -0.819 13.584 -1.603 1.00 0.00 N ATOM 392 CA VAL A 25 0.638 13.662 -1.531 1.00 0.00 C ATOM 393 C VAL A 25 1.189 13.015 -0.268 1.00 0.00 C ATOM 394 O VAL A 25 2.126 12.227 -0.356 1.00 0.00 O ATOM 395 CB VAL A 25 1.091 15.116 -1.636 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.607 15.203 -1.420 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.750 15.621 -3.041 1.00 0.00 C ATOM 0 H VAL A 25 -1.302 14.472 -1.464 1.00 0.00 H new ATOM 0 HA VAL A 25 1.039 13.100 -2.374 1.00 0.00 H new ATOM 0 HB VAL A 25 0.590 15.721 -0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.926 16.242 -1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.856 14.818 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.117 14.610 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.065 16.660 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.268 15.012 -3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.326 15.551 -3.202 1.00 0.00 H new ATOM 407 N GLN A 26 0.625 13.336 0.899 1.00 0.00 N ATOM 408 CA GLN A 26 1.119 12.742 2.129 1.00 0.00 C ATOM 409 C GLN A 26 0.963 11.235 2.088 1.00 0.00 C ATOM 410 O GLN A 26 1.889 10.508 2.442 1.00 0.00 O ATOM 411 CB GLN A 26 0.406 13.330 3.343 1.00 0.00 C ATOM 412 CG GLN A 26 1.214 14.533 3.857 1.00 0.00 C ATOM 413 CD GLN A 26 0.279 15.598 4.387 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.342 15.377 5.494 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 0.108 16.651 3.774 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.153 13.986 1.011 1.00 0.00 H new ATOM 0 HA GLN A 26 2.180 12.975 2.220 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.604 13.641 3.074 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.310 12.577 4.126 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.897 14.213 4.644 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.825 14.942 3.052 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.604 16.818 2.898 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.530 17.357 4.142 1.00 0.00 H new ATOM 424 N VAL A 27 -0.191 10.764 1.613 1.00 0.00 N ATOM 425 CA VAL A 27 -0.411 9.324 1.513 1.00 0.00 C ATOM 426 C VAL A 27 0.613 8.726 0.551 1.00 0.00 C ATOM 427 O VAL A 27 1.274 7.741 0.875 1.00 0.00 O ATOM 428 CB VAL A 27 -1.835 9.018 1.024 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.029 7.499 0.952 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.860 9.606 2.002 1.00 0.00 C ATOM 0 H VAL A 27 -0.969 11.344 1.299 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.292 8.880 2.501 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.978 9.461 0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.038 7.277 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.305 7.072 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.882 7.066 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.868 9.385 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.716 9.165 2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.726 10.686 2.064 1.00 0.00 H new ATOM 440 N LYS A 28 0.766 9.363 -0.613 1.00 0.00 N ATOM 441 CA LYS A 28 1.739 8.920 -1.605 1.00 0.00 C ATOM 442 C LYS A 28 3.153 8.980 -1.040 1.00 0.00 C ATOM 443 O LYS A 28 3.995 8.159 -1.388 1.00 0.00 O ATOM 444 CB LYS A 28 1.651 9.766 -2.890 1.00 0.00 C ATOM 445 CG LYS A 28 0.458 9.295 -3.743 1.00 0.00 C ATOM 446 CD LYS A 28 0.814 9.363 -5.232 1.00 0.00 C ATOM 447 CE LYS A 28 1.187 10.798 -5.632 1.00 0.00 C ATOM 448 NZ LYS A 28 2.670 10.958 -5.602 1.00 0.00 N ATOM 0 H LYS A 28 0.228 10.185 -0.888 1.00 0.00 H new ATOM 0 HA LYS A 28 1.503 7.886 -1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.535 10.820 -2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.576 9.676 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.188 8.274 -3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.412 9.919 -3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.647 8.692 -5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.031 9.021 -5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.808 11.018 -6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.721 11.509 -4.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.955 11.680 -6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.968 11.253 -4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.122 10.052 -5.841 1.00 0.00 H new ATOM 462 N ALA A 29 3.404 9.967 -0.181 1.00 0.00 N ATOM 463 CA ALA A 29 4.715 10.144 0.422 1.00 0.00 C ATOM 464 C ALA A 29 5.006 9.033 1.394 1.00 0.00 C ATOM 465 O ALA A 29 6.103 8.479 1.407 1.00 0.00 O ATOM 466 CB ALA A 29 4.770 11.461 1.171 1.00 0.00 C ATOM 0 H ALA A 29 2.711 10.656 0.111 1.00 0.00 H new ATOM 0 HA ALA A 29 5.456 10.135 -0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.756 11.584 1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.581 12.281 0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.012 11.466 1.955 1.00 0.00 H new ATOM 472 N PHE A 30 4.005 8.702 2.197 1.00 0.00 N ATOM 473 CA PHE A 30 4.149 7.647 3.152 1.00 0.00 C ATOM 474 C PHE A 30 4.358 6.361 2.386 1.00 0.00 C ATOM 475 O PHE A 30 5.208 5.548 2.747 1.00 0.00 O ATOM 476 CB PHE A 30 2.917 7.575 4.051 1.00 0.00 C ATOM 477 CG PHE A 30 2.773 8.862 4.851 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.878 9.395 5.543 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.534 9.529 4.906 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.741 10.575 6.268 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.411 10.709 5.636 1.00 0.00 C ATOM 482 CZ PHE A 30 2.512 11.229 6.312 1.00 0.00 C ATOM 0 H PHE A 30 3.092 9.156 2.196 1.00 0.00 H new ATOM 0 HA PHE A 30 5.005 7.825 3.803 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.025 7.413 3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.001 6.725 4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.831 8.888 5.511 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.680 9.126 4.383 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.589 10.984 6.797 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.461 11.221 5.678 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.412 12.146 6.874 1.00 0.00 H new ATOM 492 N ILE A 31 3.620 6.223 1.276 1.00 0.00 N ATOM 493 CA ILE A 31 3.778 5.064 0.422 1.00 0.00 C ATOM 494 C ILE A 31 5.175 5.070 -0.166 1.00 0.00 C ATOM 495 O ILE A 31 5.842 4.054 -0.183 1.00 0.00 O ATOM 496 CB ILE A 31 2.723 5.032 -0.710 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.339 4.731 -0.106 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.079 3.948 -1.763 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.273 4.703 -1.205 1.00 0.00 C ATOM 0 H ILE A 31 2.920 6.895 0.961 1.00 0.00 H new ATOM 0 HA ILE A 31 3.629 4.170 1.027 1.00 0.00 H new ATOM 0 HB ILE A 31 2.710 6.003 -1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.362 3.772 0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.086 5.488 0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.324 3.943 -2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.054 4.169 -2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.109 2.970 -1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.700 4.489 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.240 5.671 -1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.520 3.929 -1.931 1.00 0.00 H new ATOM 511 N ASP A 32 5.602 6.233 -0.635 1.00 0.00 N ATOM 512 CA ASP A 32 6.926 6.372 -1.231 1.00 0.00 C ATOM 513 C ASP A 32 8.008 5.995 -0.230 1.00 0.00 C ATOM 514 O ASP A 32 8.965 5.289 -0.556 1.00 0.00 O ATOM 515 CB ASP A 32 7.136 7.808 -1.724 1.00 0.00 C ATOM 516 CG ASP A 32 8.429 7.899 -2.533 1.00 0.00 C ATOM 517 OD1 ASP A 32 8.384 7.612 -3.718 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.445 8.247 -1.954 1.00 0.00 O ATOM 0 H ASP A 32 5.054 7.093 -0.615 1.00 0.00 H new ATOM 0 HA ASP A 32 6.994 5.694 -2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.290 8.118 -2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.180 8.490 -0.875 1.00 0.00 H new ATOM 523 N SER A 33 7.819 6.457 0.992 1.00 0.00 N ATOM 524 CA SER A 33 8.741 6.169 2.083 1.00 0.00 C ATOM 525 C SER A 33 8.702 4.674 2.401 1.00 0.00 C ATOM 526 O SER A 33 9.723 4.058 2.695 1.00 0.00 O ATOM 527 CB SER A 33 8.341 6.989 3.306 1.00 0.00 C ATOM 528 OG SER A 33 8.451 8.372 3.000 1.00 0.00 O ATOM 0 H SER A 33 7.026 7.041 1.259 1.00 0.00 H new ATOM 0 HA SER A 33 9.757 6.437 1.795 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.319 6.750 3.600 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.983 6.740 4.151 1.00 0.00 H new ATOM 0 HG SER A 33 7.695 8.644 2.439 1.00 0.00 H new ATOM 534 N LEU A 34 7.501 4.112 2.295 1.00 0.00 N ATOM 535 CA LEU A 34 7.261 2.684 2.516 1.00 0.00 C ATOM 536 C LEU A 34 8.075 1.863 1.518 1.00 0.00 C ATOM 537 O LEU A 34 8.826 0.969 1.903 1.00 0.00 O ATOM 538 CB LEU A 34 5.767 2.438 2.291 1.00 0.00 C ATOM 539 CG LEU A 34 5.010 2.303 3.609 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.716 3.115 3.570 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.656 0.847 3.809 1.00 0.00 C ATOM 0 H LEU A 34 6.660 4.636 2.052 1.00 0.00 H new ATOM 0 HA LEU A 34 7.557 2.391 3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.346 3.261 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.633 1.532 1.700 1.00 0.00 H new ATOM 0 HG LEU A 34 5.637 2.671 4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.190 3.007 4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.951 4.166 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.083 2.752 2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.114 0.730 4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.030 0.508 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.569 0.252 3.841 1.00 0.00 H new ATOM 553 N ARG A 35 7.927 2.190 0.237 1.00 0.00 N ATOM 554 CA ARG A 35 8.673 1.484 -0.826 1.00 0.00 C ATOM 555 C ARG A 35 10.178 1.632 -0.593 1.00 0.00 C ATOM 556 O ARG A 35 10.935 0.664 -0.687 1.00 0.00 O ATOM 557 CB ARG A 35 8.368 2.043 -2.236 1.00 0.00 C ATOM 558 CG ARG A 35 7.128 2.931 -2.221 1.00 0.00 C ATOM 559 CD ARG A 35 6.685 3.302 -3.640 1.00 0.00 C ATOM 560 NE ARG A 35 5.816 2.272 -4.179 1.00 0.00 N ATOM 561 CZ ARG A 35 6.297 1.283 -4.906 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.539 1.453 -6.172 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.528 0.148 -4.342 1.00 0.00 N ATOM 0 H ARG A 35 7.308 2.928 -0.098 1.00 0.00 H new ATOM 0 HA ARG A 35 8.359 0.441 -0.781 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.223 2.614 -2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.219 1.218 -2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.316 2.415 -1.709 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.336 3.839 -1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.163 4.259 -3.627 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.558 3.424 -4.281 1.00 0.00 H new ATOM 0 HE ARG A 35 4.814 2.314 -3.992 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.357 2.356 -6.609 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.911 0.683 -6.728 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.339 0.025 -3.347 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.900 -0.628 -4.890 1.00 0.00 H new ATOM 577 N ASP A 36 10.588 2.868 -0.290 1.00 0.00 N ATOM 578 CA ASP A 36 11.989 3.194 -0.042 1.00 0.00 C ATOM 579 C ASP A 36 12.496 2.478 1.199 1.00 0.00 C ATOM 580 O ASP A 36 13.651 2.051 1.261 1.00 0.00 O ATOM 581 CB ASP A 36 12.138 4.700 0.142 1.00 0.00 C ATOM 582 CG ASP A 36 13.616 5.090 0.168 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.177 5.284 -0.899 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.164 5.187 1.253 1.00 0.00 O ATOM 0 H ASP A 36 9.957 3.666 -0.211 1.00 0.00 H new ATOM 0 HA ASP A 36 12.579 2.867 -0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.631 5.224 -0.669 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.657 5.009 1.070 1.00 0.00 H new ATOM 589 N ASP A 37 11.611 2.361 2.180 1.00 0.00 N ATOM 590 CA ASP A 37 11.940 1.702 3.436 1.00 0.00 C ATOM 591 C ASP A 37 10.708 1.019 4.008 1.00 0.00 C ATOM 592 O ASP A 37 9.895 1.641 4.698 1.00 0.00 O ATOM 593 CB ASP A 37 12.512 2.709 4.448 1.00 0.00 C ATOM 594 CG ASP A 37 13.241 1.976 5.582 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.680 1.031 6.121 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.350 2.372 5.899 1.00 0.00 O ATOM 0 H ASP A 37 10.656 2.716 2.129 1.00 0.00 H new ATOM 0 HA ASP A 37 12.702 0.948 3.239 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.200 3.388 3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.707 3.318 4.859 1.00 0.00 H new ATOM 601 N PRO A 38 10.555 -0.248 3.721 1.00 0.00 N ATOM 602 CA PRO A 38 9.399 -1.035 4.203 1.00 0.00 C ATOM 603 C PRO A 38 9.444 -1.309 5.699 1.00 0.00 C ATOM 604 O PRO A 38 8.404 -1.396 6.349 1.00 0.00 O ATOM 605 CB PRO A 38 9.454 -2.331 3.405 1.00 0.00 C ATOM 606 CG PRO A 38 10.627 -2.252 2.479 1.00 0.00 C ATOM 607 CD PRO A 38 11.470 -1.064 2.910 1.00 0.00 C ATOM 0 HA PRO A 38 8.468 -0.487 4.056 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.552 -3.187 4.073 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.532 -2.471 2.841 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.211 -3.172 2.521 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.294 -2.132 1.448 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.339 -1.381 3.487 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.844 -0.508 2.050 1.00 0.00 H new ATOM 615 N SER A 39 10.647 -1.428 6.245 1.00 0.00 N ATOM 616 CA SER A 39 10.799 -1.664 7.674 1.00 0.00 C ATOM 617 C SER A 39 10.232 -0.463 8.425 1.00 0.00 C ATOM 618 O SER A 39 9.717 -0.583 9.538 1.00 0.00 O ATOM 619 CB SER A 39 12.276 -1.852 8.028 1.00 0.00 C ATOM 620 OG SER A 39 12.832 -2.865 7.197 1.00 0.00 O ATOM 0 H SER A 39 11.523 -1.366 5.726 1.00 0.00 H new ATOM 0 HA SER A 39 10.263 -2.570 7.957 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.817 -0.916 7.891 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.378 -2.129 9.077 1.00 0.00 H new ATOM 0 HG SER A 39 13.779 -2.987 7.419 1.00 0.00 H new ATOM 626 N GLN A 40 10.342 0.695 7.773 1.00 0.00 N ATOM 627 CA GLN A 40 9.860 1.956 8.317 1.00 0.00 C ATOM 628 C GLN A 40 8.355 2.135 8.057 1.00 0.00 C ATOM 629 O GLN A 40 7.773 3.129 8.450 1.00 0.00 O ATOM 630 CB GLN A 40 10.646 3.102 7.656 1.00 0.00 C ATOM 631 CG GLN A 40 10.498 4.409 8.445 1.00 0.00 C ATOM 632 CD GLN A 40 11.326 5.508 7.787 1.00 0.00 C ATOM 633 OE1 GLN A 40 10.969 5.999 6.716 1.00 0.00 O ATOM 634 NE2 GLN A 40 12.418 5.924 8.364 1.00 0.00 N ATOM 0 H GLN A 40 10.770 0.780 6.851 1.00 0.00 H new ATOM 0 HA GLN A 40 10.012 1.962 9.396 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.700 2.832 7.590 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.290 3.248 6.636 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.450 4.705 8.483 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.825 4.262 9.474 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.713 5.517 9.251 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.978 6.657 7.928 1.00 0.00 H new ATOM 643 N SER A 41 7.732 1.175 7.380 1.00 0.00 N ATOM 644 CA SER A 41 6.306 1.272 7.045 1.00 0.00 C ATOM 645 C SER A 41 5.441 1.621 8.259 1.00 0.00 C ATOM 646 O SER A 41 4.490 2.397 8.148 1.00 0.00 O ATOM 647 CB SER A 41 5.837 -0.076 6.500 1.00 0.00 C ATOM 648 OG SER A 41 5.935 -1.061 7.520 1.00 0.00 O ATOM 0 H SER A 41 8.186 0.322 7.052 1.00 0.00 H new ATOM 0 HA SER A 41 6.196 2.069 6.310 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.807 -0.000 6.151 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.444 -0.364 5.642 1.00 0.00 H new ATOM 0 HG SER A 41 6.800 -1.517 7.453 1.00 0.00 H new ATOM 654 N ALA A 42 5.790 1.060 9.409 1.00 0.00 N ATOM 655 CA ALA A 42 5.060 1.321 10.643 1.00 0.00 C ATOM 656 C ALA A 42 5.230 2.771 11.049 1.00 0.00 C ATOM 657 O ALA A 42 4.308 3.412 11.550 1.00 0.00 O ATOM 658 CB ALA A 42 5.641 0.456 11.749 1.00 0.00 C ATOM 0 H ALA A 42 6.577 0.419 9.513 1.00 0.00 H new ATOM 0 HA ALA A 42 4.004 1.100 10.485 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.102 0.643 12.678 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.543 -0.595 11.478 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.695 0.699 11.885 1.00 0.00 H new ATOM 664 N ASN A 43 6.439 3.254 10.827 1.00 0.00 N ATOM 665 CA ASN A 43 6.816 4.607 11.155 1.00 0.00 C ATOM 666 C ASN A 43 6.100 5.605 10.257 1.00 0.00 C ATOM 667 O ASN A 43 5.745 6.699 10.672 1.00 0.00 O ATOM 668 CB ASN A 43 8.322 4.726 10.958 1.00 0.00 C ATOM 669 CG ASN A 43 9.059 4.473 12.270 1.00 0.00 C ATOM 670 OD1 ASN A 43 8.758 3.513 12.980 1.00 0.00 O ATOM 671 ND2 ASN A 43 10.019 5.277 12.631 1.00 0.00 N ATOM 0 H ASN A 43 7.192 2.707 10.409 1.00 0.00 H new ATOM 0 HA ASN A 43 6.537 4.829 12.185 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.653 4.010 10.205 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.567 5.720 10.583 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.522 5.111 13.503 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.267 6.072 12.042 1.00 0.00 H new ATOM 678 N LEU A 44 5.914 5.196 9.023 1.00 0.00 N ATOM 679 CA LEU A 44 5.259 6.000 8.007 1.00 0.00 C ATOM 680 C LEU A 44 3.802 6.044 8.298 1.00 0.00 C ATOM 681 O LEU A 44 3.160 7.080 8.209 1.00 0.00 O ATOM 682 CB LEU A 44 5.570 5.354 6.670 1.00 0.00 C ATOM 683 CG LEU A 44 7.092 5.323 6.585 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.570 4.386 5.496 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.572 6.737 6.366 1.00 0.00 C ATOM 0 H LEU A 44 6.217 4.282 8.688 1.00 0.00 H new ATOM 0 HA LEU A 44 5.611 7.032 7.991 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.152 4.349 6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.141 5.926 5.847 1.00 0.00 H new ATOM 0 HG LEU A 44 7.510 4.934 7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.660 4.390 5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.217 3.376 5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.179 4.717 4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.660 6.746 6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.150 7.125 5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.253 7.363 7.200 1.00 0.00 H new ATOM 697 N LEU A 45 3.334 4.906 8.735 1.00 0.00 N ATOM 698 CA LEU A 45 1.965 4.760 9.168 1.00 0.00 C ATOM 699 C LEU A 45 1.776 5.656 10.384 1.00 0.00 C ATOM 700 O LEU A 45 0.750 6.310 10.556 1.00 0.00 O ATOM 701 CB LEU A 45 1.699 3.290 9.513 1.00 0.00 C ATOM 702 CG LEU A 45 0.425 3.147 10.353 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.773 3.731 9.598 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.193 1.663 10.643 1.00 0.00 C ATOM 0 H LEU A 45 3.888 4.052 8.802 1.00 0.00 H new ATOM 0 HA LEU A 45 1.262 5.050 8.387 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.602 2.709 8.596 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.548 2.881 10.061 1.00 0.00 H new ATOM 0 HG LEU A 45 0.538 3.692 11.290 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.672 3.624 10.204 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.596 4.787 9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.905 3.198 8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.711 1.546 11.241 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.080 1.122 9.704 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.045 1.262 11.192 1.00 0.00 H new ATOM 716 N ALA A 46 2.822 5.693 11.198 1.00 0.00 N ATOM 717 CA ALA A 46 2.848 6.513 12.395 1.00 0.00 C ATOM 718 C ALA A 46 2.808 7.973 12.010 1.00 0.00 C ATOM 719 O ALA A 46 2.046 8.767 12.563 1.00 0.00 O ATOM 720 CB ALA A 46 4.138 6.259 13.169 1.00 0.00 C ATOM 0 H ALA A 46 3.675 5.155 11.045 1.00 0.00 H new ATOM 0 HA ALA A 46 1.985 6.260 13.011 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.152 6.877 14.066 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.192 5.208 13.452 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.994 6.510 12.542 1.00 0.00 H new ATOM 726 N GLU A 47 3.635 8.293 11.029 1.00 0.00 N ATOM 727 CA GLU A 47 3.730 9.626 10.504 1.00 0.00 C ATOM 728 C GLU A 47 2.413 10.023 9.897 1.00 0.00 C ATOM 729 O GLU A 47 1.985 11.162 9.998 1.00 0.00 O ATOM 730 CB GLU A 47 4.784 9.639 9.408 1.00 0.00 C ATOM 731 CG GLU A 47 6.194 9.748 9.976 1.00 0.00 C ATOM 732 CD GLU A 47 6.326 10.973 10.886 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.070 12.070 10.415 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.684 10.796 12.038 1.00 0.00 O ATOM 0 H GLU A 47 4.259 7.624 10.578 1.00 0.00 H new ATOM 0 HA GLU A 47 3.993 10.318 11.304 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.701 8.729 8.814 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.598 10.476 8.735 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.434 8.845 10.538 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.914 9.817 9.161 1.00 0.00 H new ATOM 741 N ALA A 48 1.783 9.057 9.263 1.00 0.00 N ATOM 742 CA ALA A 48 0.521 9.276 8.626 1.00 0.00 C ATOM 743 C ALA A 48 -0.531 9.557 9.667 1.00 0.00 C ATOM 744 O ALA A 48 -1.262 10.531 9.558 1.00 0.00 O ATOM 745 CB ALA A 48 0.176 8.037 7.834 1.00 0.00 C ATOM 0 H ALA A 48 2.137 8.104 9.180 1.00 0.00 H new ATOM 0 HA ALA A 48 0.570 10.136 7.957 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.784 8.178 7.337 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.948 7.856 7.086 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.114 7.181 8.506 1.00 0.00 H new ATOM 751 N LYS A 49 -0.572 8.721 10.700 1.00 0.00 N ATOM 752 CA LYS A 49 -1.514 8.930 11.782 1.00 0.00 C ATOM 753 C LYS A 49 -1.246 10.286 12.401 1.00 0.00 C ATOM 754 O LYS A 49 -2.165 10.954 12.858 1.00 0.00 O ATOM 755 CB LYS A 49 -1.378 7.830 12.840 1.00 0.00 C ATOM 756 CG LYS A 49 -1.955 6.520 12.294 1.00 0.00 C ATOM 757 CD LYS A 49 -1.856 5.422 13.360 1.00 0.00 C ATOM 758 CE LYS A 49 -2.424 4.111 12.803 1.00 0.00 C ATOM 759 NZ LYS A 49 -1.518 2.981 13.158 1.00 0.00 N ATOM 0 H LYS A 49 0.030 7.904 10.806 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.530 8.893 11.390 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.330 7.695 13.106 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.903 8.119 13.750 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.996 6.664 12.003 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.412 6.219 11.398 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.817 5.282 13.657 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.406 5.718 14.253 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.420 3.933 13.209 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.529 4.180 11.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.869 2.104 12.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.559 3.182 12.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.493 2.868 14.192 1.00 0.00 H new ATOM 773 N LYS A 50 0.025 10.700 12.378 1.00 0.00 N ATOM 774 CA LYS A 50 0.404 11.984 12.916 1.00 0.00 C ATOM 775 C LYS A 50 -0.059 13.091 11.992 1.00 0.00 C ATOM 776 O LYS A 50 -0.560 14.122 12.441 1.00 0.00 O ATOM 777 CB LYS A 50 1.924 12.029 13.101 1.00 0.00 C ATOM 778 CG LYS A 50 2.334 13.292 13.867 1.00 0.00 C ATOM 779 CD LYS A 50 3.850 13.275 14.097 1.00 0.00 C ATOM 780 CE LYS A 50 4.582 13.686 12.813 1.00 0.00 C ATOM 781 NZ LYS A 50 6.045 13.464 12.984 1.00 0.00 N ATOM 0 H LYS A 50 0.797 10.157 11.991 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.073 12.130 13.885 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.257 11.144 13.643 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.415 12.011 12.128 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.050 14.181 13.304 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.810 13.338 14.822 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.110 13.956 14.907 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.168 12.278 14.403 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.211 13.105 11.968 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.386 14.735 12.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.559 13.925 12.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.354 13.869 13.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.245 12.443 12.974 1.00 0.00 H new ATOM 795 N LEU A 51 0.108 12.857 10.698 1.00 0.00 N ATOM 796 CA LEU A 51 -0.297 13.824 9.700 1.00 0.00 C ATOM 797 C LEU A 51 -1.811 13.906 9.645 1.00 0.00 C ATOM 798 O LEU A 51 -2.385 14.991 9.559 1.00 0.00 O ATOM 799 CB LEU A 51 0.265 13.449 8.322 1.00 0.00 C ATOM 800 CG LEU A 51 1.588 14.182 8.049 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.409 15.696 8.224 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.688 13.670 8.994 1.00 0.00 C ATOM 0 H LEU A 51 0.521 12.005 10.319 1.00 0.00 H new ATOM 0 HA LEU A 51 0.103 14.799 9.978 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.425 12.372 8.271 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.461 13.701 7.549 1.00 0.00 H new ATOM 0 HG LEU A 51 1.886 13.981 7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.355 16.199 8.027 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.654 16.056 7.525 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.090 15.909 9.244 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.619 14.198 8.789 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.391 13.847 10.028 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.835 12.602 8.836 1.00 0.00 H new ATOM 814 N ASN A 52 -2.443 12.741 9.722 1.00 0.00 N ATOM 815 CA ASN A 52 -3.889 12.652 9.710 1.00 0.00 C ATOM 816 C ASN A 52 -4.429 13.332 10.950 1.00 0.00 C ATOM 817 O ASN A 52 -5.363 14.123 10.880 1.00 0.00 O ATOM 818 CB ASN A 52 -4.316 11.180 9.697 1.00 0.00 C ATOM 819 CG ASN A 52 -5.721 11.006 10.267 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.694 11.404 9.643 1.00 0.00 O ATOM 821 ND2 ASN A 52 -5.879 10.427 11.424 1.00 0.00 N ATOM 0 H ASN A 52 -1.968 11.841 9.794 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.284 13.141 8.819 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.285 10.799 8.676 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.609 10.589 10.279 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.815 10.305 11.810 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.066 10.095 11.944 1.00 0.00 H new ATOM 828 N ASP A 53 -3.809 13.018 12.086 1.00 0.00 N ATOM 829 CA ASP A 53 -4.223 13.611 13.344 1.00 0.00 C ATOM 830 C ASP A 53 -4.013 15.116 13.306 1.00 0.00 C ATOM 831 O ASP A 53 -4.848 15.884 13.787 1.00 0.00 O ATOM 832 CB ASP A 53 -3.457 12.997 14.525 1.00 0.00 C ATOM 833 CG ASP A 53 -3.924 11.561 14.819 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.953 11.151 14.295 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.240 10.888 15.570 1.00 0.00 O ATOM 0 H ASP A 53 -3.029 12.365 12.156 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.283 13.402 13.485 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.389 12.995 14.305 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.599 13.615 15.412 1.00 0.00 H new ATOM 840 N ALA A 54 -2.897 15.524 12.707 1.00 0.00 N ATOM 841 CA ALA A 54 -2.576 16.933 12.572 1.00 0.00 C ATOM 842 C ALA A 54 -3.599 17.608 11.665 1.00 0.00 C ATOM 843 O ALA A 54 -4.011 18.743 11.909 1.00 0.00 O ATOM 844 CB ALA A 54 -1.174 17.084 11.978 1.00 0.00 C ATOM 0 H ALA A 54 -2.202 14.893 12.308 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.603 17.406 13.553 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.934 18.142 11.877 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.447 16.608 12.636 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.141 16.609 10.997 1.00 0.00 H new ATOM 850 N GLN A 55 -4.010 16.881 10.621 1.00 0.00 N ATOM 851 CA GLN A 55 -4.995 17.384 9.669 1.00 0.00 C ATOM 852 C GLN A 55 -6.422 17.113 10.154 1.00 0.00 C ATOM 853 O GLN A 55 -7.391 17.525 9.512 1.00 0.00 O ATOM 854 CB GLN A 55 -4.762 16.709 8.319 1.00 0.00 C ATOM 855 CG GLN A 55 -3.494 17.279 7.675 1.00 0.00 C ATOM 856 CD GLN A 55 -3.098 16.427 6.480 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.709 15.204 6.681 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.147 16.882 5.338 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.672 15.940 10.417 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.878 18.464 9.574 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.663 15.632 8.451 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.619 16.872 7.666 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.666 18.308 7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.683 17.301 8.403 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.453 17.843 5.185 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.882 16.298 4.545 1.00 0.00 H new ATOM 867 N ALA A 56 -6.541 16.422 11.289 1.00 0.00 N ATOM 868 CA ALA A 56 -7.849 16.101 11.858 1.00 0.00 C ATOM 869 C ALA A 56 -8.413 17.294 12.618 1.00 0.00 C ATOM 870 O ALA A 56 -7.693 18.253 12.906 1.00 0.00 O ATOM 871 CB ALA A 56 -7.742 14.889 12.790 1.00 0.00 C ATOM 0 H ALA A 56 -5.749 16.075 11.830 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.527 15.859 11.039 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.724 14.662 13.206 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.378 14.029 12.228 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.048 15.113 13.600 1.00 0.00 H new ATOM 981 N PHE B 5 -10.456 -11.478 2.040 1.00 0.00 N ATOM 982 CA PHE B 5 -9.151 -11.144 1.500 1.00 0.00 C ATOM 983 C PHE B 5 -8.464 -10.018 2.257 1.00 0.00 C ATOM 984 O PHE B 5 -7.427 -9.569 1.831 1.00 0.00 O ATOM 985 CB PHE B 5 -9.299 -10.762 0.023 1.00 0.00 C ATOM 986 CG PHE B 5 -9.295 -12.023 -0.794 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.268 -12.996 -0.560 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.308 -12.229 -1.763 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.253 -14.184 -1.298 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.295 -13.412 -2.502 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.266 -14.391 -2.269 1.00 0.00 C ATOM 0 HA PHE B 5 -8.519 -12.026 1.609 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.226 -10.210 -0.135 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.482 -10.108 -0.284 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.030 -12.832 0.188 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.557 -11.473 -1.939 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.002 -14.941 -1.119 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.536 -13.572 -3.253 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.254 -15.308 -2.839 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.017 -9.569 3.376 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.363 -8.500 4.144 1.00 0.00 C ATOM 1003 C ASN B 6 -6.937 -8.913 4.476 1.00 0.00 C ATOM 1004 O ASN B 6 -6.016 -8.110 4.367 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.158 -8.203 5.418 1.00 0.00 C ATOM 1006 CG ASN B 6 -10.520 -7.620 5.047 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -10.821 -7.447 3.788 1.00 0.00 O flip ATOM 1008 ND2 ASN B 6 -11.327 -7.313 5.922 1.00 0.00 N flip ATOM 0 H ASN B 6 -9.893 -9.912 3.770 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.333 -7.589 3.546 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -9.288 -9.116 5.999 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -8.609 -7.501 6.046 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -11.090 -7.449 6.905 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -12.234 -6.922 5.665 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.764 -10.186 4.825 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.439 -10.726 5.112 1.00 0.00 C ATOM 1017 C LYS B 7 -4.624 -10.791 3.816 1.00 0.00 C ATOM 1018 O LYS B 7 -3.455 -10.405 3.782 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.584 -12.130 5.715 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.209 -12.685 6.118 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.366 -14.095 6.710 1.00 0.00 C ATOM 1022 CE LYS B 7 -4.760 -15.089 5.608 1.00 0.00 C ATOM 1023 NZ LYS B 7 -4.560 -16.481 6.101 1.00 0.00 N ATOM 0 H LYS B 7 -7.524 -10.861 4.915 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.923 -10.082 5.824 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.238 -12.093 6.586 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.054 -12.796 4.992 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.551 -12.717 5.249 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.741 -12.025 6.848 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -3.432 -14.408 7.176 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -5.125 -14.087 7.492 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -5.801 -14.939 5.323 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -4.157 -14.917 4.716 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -4.827 -17.155 5.355 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -3.560 -16.620 6.352 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -5.153 -16.641 6.940 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.275 -11.288 2.758 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.653 -11.430 1.437 1.00 0.00 C ATOM 1039 C GLU B 8 -4.349 -10.071 0.793 1.00 0.00 C ATOM 1040 O GLU B 8 -3.355 -9.917 0.078 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.610 -12.200 0.503 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.702 -13.683 0.905 1.00 0.00 C ATOM 1043 CD GLU B 8 -6.977 -13.941 1.709 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -6.980 -13.655 2.895 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -7.935 -14.415 1.122 1.00 0.00 O ATOM 0 H GLU B 8 -6.245 -11.602 2.793 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.714 -11.967 1.575 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.601 -11.748 0.540 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.261 -12.120 -0.527 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.695 -14.309 0.013 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.829 -13.961 1.496 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.245 -9.117 1.018 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.147 -7.788 0.441 1.00 0.00 C ATOM 1054 C ARG B 9 -3.891 -7.051 0.901 1.00 0.00 C ATOM 1055 O ARG B 9 -3.223 -6.423 0.087 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.398 -6.987 0.824 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.369 -5.607 0.157 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.782 -5.015 0.138 1.00 0.00 C ATOM 1059 NE ARG B 9 -8.229 -4.707 1.495 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.520 -4.568 1.780 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -10.327 -4.023 0.912 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.978 -4.972 2.927 1.00 0.00 N ATOM 0 H ARG B 9 -6.065 -9.248 1.611 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.078 -7.890 -0.642 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.293 -7.528 0.517 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.449 -6.874 1.907 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.694 -4.945 0.698 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -5.986 -5.691 -0.860 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.795 -4.110 -0.469 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.471 -5.720 -0.327 1.00 0.00 H new ATOM 0 HE ARG B 9 -7.538 -4.597 2.237 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.968 -3.703 0.013 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -11.317 -3.917 1.133 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -9.347 -5.395 3.608 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -10.968 -4.866 3.147 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.567 -7.121 2.199 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.382 -6.423 2.699 1.00 0.00 C ATOM 1078 C VAL B 10 -1.125 -6.982 2.047 1.00 0.00 C ATOM 1079 O VAL B 10 -0.209 -6.233 1.740 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.280 -6.384 4.255 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -3.615 -6.744 4.927 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -1.184 -7.309 4.779 1.00 0.00 C ATOM 0 H VAL B 10 -4.094 -7.639 2.902 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.486 -5.378 2.409 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.023 -5.357 4.513 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -3.499 -6.705 6.010 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -4.381 -6.033 4.618 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -3.912 -7.750 4.630 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -1.148 -7.251 5.867 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -1.398 -8.334 4.478 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -0.222 -7.003 4.367 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.087 -8.291 1.819 1.00 0.00 N ATOM 1093 CA ILE B 11 0.077 -8.894 1.181 1.00 0.00 C ATOM 1094 C ILE B 11 0.247 -8.309 -0.223 1.00 0.00 C ATOM 1095 O ILE B 11 1.370 -8.034 -0.650 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.059 -10.421 1.105 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.462 -10.972 2.490 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.294 -11.018 0.679 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.147 -12.364 2.732 1.00 0.00 C ATOM 0 H ILE B 11 -1.833 -8.943 2.061 1.00 0.00 H new ATOM 0 HA ILE B 11 0.958 -8.668 1.782 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.825 -10.692 0.379 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.129 -10.286 3.269 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.548 -11.030 2.560 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.211 -12.103 0.621 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.575 -10.623 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.056 -10.751 1.411 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.154 -12.727 3.715 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.207 -13.054 1.966 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.234 -12.298 2.686 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.878 -8.095 -0.921 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.847 -7.515 -2.255 1.00 0.00 C ATOM 1113 C ALA B 12 -0.345 -6.109 -2.177 1.00 0.00 C ATOM 1114 O ALA B 12 0.540 -5.748 -2.933 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.244 -7.528 -2.864 1.00 0.00 C ATOM 0 H ALA B 12 -1.813 -8.317 -0.578 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.181 -8.105 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.210 -7.092 -3.862 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.603 -8.555 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -2.920 -6.946 -2.237 1.00 0.00 H new ATOM 1121 N ILE B 13 -0.876 -5.340 -1.227 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.434 -3.968 -1.041 1.00 0.00 C ATOM 1123 C ILE B 13 1.058 -4.017 -0.795 1.00 0.00 C ATOM 1124 O ILE B 13 1.819 -3.321 -1.438 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.176 -3.341 0.160 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.669 -3.384 -0.109 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -0.795 -1.869 0.348 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.453 -3.105 1.164 1.00 0.00 C ATOM 0 H ILE B 13 -1.606 -5.644 -0.582 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.651 -3.354 -1.915 1.00 0.00 H new ATOM 0 HB ILE B 13 -0.903 -3.905 1.052 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -2.928 -2.648 -0.870 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -2.944 -4.362 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.335 -1.459 1.201 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.278 -1.791 0.526 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.056 -1.308 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.521 -3.141 0.949 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.209 -3.857 1.914 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.192 -2.117 1.543 1.00 0.00 H new ATOM 1140 N GLY B 14 1.462 -4.915 0.087 1.00 0.00 N ATOM 1141 CA GLY B 14 2.870 -5.106 0.386 1.00 0.00 C ATOM 1142 C GLY B 14 3.646 -5.410 -0.878 1.00 0.00 C ATOM 1143 O GLY B 14 4.741 -4.897 -1.076 1.00 0.00 O ATOM 0 H GLY B 14 0.833 -5.525 0.610 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.272 -4.210 0.859 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.989 -5.923 1.098 1.00 0.00 H new ATOM 1147 N GLU B 15 3.062 -6.228 -1.745 1.00 0.00 N ATOM 1148 CA GLU B 15 3.713 -6.576 -2.985 1.00 0.00 C ATOM 1149 C GLU B 15 3.820 -5.337 -3.852 1.00 0.00 C ATOM 1150 O GLU B 15 4.880 -5.076 -4.408 1.00 0.00 O ATOM 1151 CB GLU B 15 2.925 -7.672 -3.697 1.00 0.00 C ATOM 1152 CG GLU B 15 3.848 -8.497 -4.611 1.00 0.00 C ATOM 1153 CD GLU B 15 3.526 -9.989 -4.478 1.00 0.00 C ATOM 1154 OE1 GLU B 15 2.392 -10.360 -4.732 1.00 0.00 O ATOM 1155 OE2 GLU B 15 4.421 -10.737 -4.122 1.00 0.00 O ATOM 0 H GLU B 15 2.146 -6.656 -1.607 1.00 0.00 H new ATOM 0 HA GLU B 15 4.715 -6.956 -2.785 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.454 -8.325 -2.962 1.00 0.00 H new ATOM 0 HB3 GLU B 15 2.124 -7.227 -4.287 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.723 -8.181 -5.647 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.890 -8.317 -4.346 1.00 0.00 H new ATOM 1162 N ILE B 16 2.730 -4.547 -3.940 1.00 0.00 N ATOM 1163 CA ILE B 16 2.806 -3.315 -4.758 1.00 0.00 C ATOM 1164 C ILE B 16 3.931 -2.435 -4.219 1.00 0.00 C ATOM 1165 O ILE B 16 4.795 -1.963 -4.957 1.00 0.00 O ATOM 1166 CB ILE B 16 1.538 -2.409 -4.685 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.223 -3.187 -4.576 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.483 -1.512 -5.924 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.103 -3.883 -5.884 1.00 0.00 C ATOM 0 H ILE B 16 1.834 -4.722 -3.484 1.00 0.00 H new ATOM 0 HA ILE B 16 2.943 -3.664 -5.781 1.00 0.00 H new ATOM 0 HB ILE B 16 1.633 -1.824 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.297 -3.923 -3.776 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.586 -2.507 -4.310 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.598 -0.878 -5.875 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.375 -0.887 -5.961 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.437 -2.131 -6.820 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.041 -4.429 -5.782 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.199 -3.141 -6.677 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.697 -4.580 -6.135 1.00 0.00 H new ATOM 1181 N MET B 17 3.866 -2.222 -2.912 1.00 0.00 N ATOM 1182 CA MET B 17 4.821 -1.397 -2.185 1.00 0.00 C ATOM 1183 C MET B 17 6.249 -1.941 -2.317 1.00 0.00 C ATOM 1184 O MET B 17 7.212 -1.173 -2.302 1.00 0.00 O ATOM 1185 CB MET B 17 4.380 -1.324 -0.731 1.00 0.00 C ATOM 1186 CG MET B 17 2.946 -0.774 -0.662 1.00 0.00 C ATOM 1187 SD MET B 17 2.911 0.905 -1.284 1.00 0.00 S ATOM 1188 CE MET B 17 3.976 1.580 -0.013 1.00 0.00 C ATOM 0 H MET B 17 3.139 -2.623 -2.319 1.00 0.00 H new ATOM 0 HA MET B 17 4.838 -0.394 -2.611 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.425 -2.313 -0.275 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.056 -0.682 -0.166 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.277 -1.403 -1.249 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.586 -0.798 0.367 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.467 2.402 0.489 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.214 0.803 0.713 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.897 1.946 -0.467 1.00 0.00 H new ATOM 1198 N ARG B 18 6.383 -3.259 -2.468 1.00 0.00 N ATOM 1199 CA ARG B 18 7.693 -3.874 -2.641 1.00 0.00 C ATOM 1200 C ARG B 18 8.235 -3.628 -4.046 1.00 0.00 C ATOM 1201 O ARG B 18 9.445 -3.483 -4.228 1.00 0.00 O ATOM 1202 CB ARG B 18 7.612 -5.357 -2.362 1.00 0.00 C ATOM 1203 CG ARG B 18 7.702 -5.571 -0.851 1.00 0.00 C ATOM 1204 CD ARG B 18 8.495 -6.827 -0.572 1.00 0.00 C ATOM 1205 NE ARG B 18 7.769 -8.012 -1.029 1.00 0.00 N ATOM 1206 CZ ARG B 18 8.056 -9.226 -0.567 1.00 0.00 C ATOM 1207 NH1 ARG B 18 9.297 -9.592 -0.414 1.00 0.00 N ATOM 1208 NH2 ARG B 18 7.095 -10.053 -0.270 1.00 0.00 N ATOM 0 H ARG B 18 5.603 -3.916 -2.474 1.00 0.00 H new ATOM 0 HA ARG B 18 8.381 -3.416 -1.930 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.677 -5.765 -2.747 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.422 -5.883 -2.868 1.00 0.00 H new ATOM 0 HG2 ARG B 18 8.180 -4.713 -0.378 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.703 -5.655 -0.424 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.461 -6.771 -1.073 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.694 -6.907 0.497 1.00 0.00 H new ATOM 0 HE ARG B 18 7.025 -7.905 -1.718 1.00 0.00 H new ATOM 0 HH11 ARG B 18 10.052 -8.947 -0.649 1.00 0.00 H new ATOM 0 HH12 ARG B 18 9.514 -10.523 -0.060 1.00 0.00 H new ATOM 0 HH21 ARG B 18 6.123 -9.770 -0.392 1.00 0.00 H new ATOM 0 HH22 ARG B 18 7.315 -10.984 0.084 1.00 0.00 H new ATOM 1222 N LEU B 19 7.331 -3.578 -5.035 1.00 0.00 N ATOM 1223 CA LEU B 19 7.730 -3.344 -6.427 1.00 0.00 C ATOM 1224 C LEU B 19 8.443 -2.001 -6.553 1.00 0.00 C ATOM 1225 O LEU B 19 7.822 -0.951 -6.399 1.00 0.00 O ATOM 1226 CB LEU B 19 6.505 -3.339 -7.351 1.00 0.00 C ATOM 1227 CG LEU B 19 5.822 -4.709 -7.400 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.511 -4.590 -8.172 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.710 -5.718 -8.103 1.00 0.00 C ATOM 0 H LEU B 19 6.327 -3.696 -4.897 1.00 0.00 H new ATOM 0 HA LEU B 19 8.402 -4.150 -6.721 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.792 -2.590 -7.005 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.810 -3.049 -8.357 1.00 0.00 H new ATOM 0 HG LEU B 19 5.634 -5.043 -6.380 1.00 0.00 H new ATOM 0 HD11 LEU B 19 4.021 -5.563 -8.209 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.858 -3.874 -7.672 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.716 -4.248 -9.186 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.210 -6.686 -8.129 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.906 -5.383 -9.122 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.653 -5.811 -7.564 1.00 0.00 H new ATOM 1241 N PRO B 20 9.731 -2.010 -6.818 1.00 0.00 N ATOM 1242 CA PRO B 20 10.531 -0.763 -6.944 1.00 0.00 C ATOM 1243 C PRO B 20 10.347 -0.042 -8.284 1.00 0.00 C ATOM 1244 O PRO B 20 10.812 1.089 -8.438 1.00 0.00 O ATOM 1245 CB PRO B 20 11.984 -1.242 -6.783 1.00 0.00 C ATOM 1246 CG PRO B 20 11.944 -2.718 -6.563 1.00 0.00 C ATOM 1247 CD PRO B 20 10.582 -3.192 -7.031 1.00 0.00 C ATOM 0 HA PRO B 20 10.221 -0.027 -6.202 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.568 -1.002 -7.671 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.463 -0.741 -5.942 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.739 -3.214 -7.120 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.096 -2.957 -5.510 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.598 -3.495 -8.078 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.233 -4.050 -6.456 1.00 0.00 H new ATOM 1255 N ASN B 21 9.693 -0.694 -9.254 1.00 0.00 N ATOM 1256 CA ASN B 21 9.504 -0.080 -10.569 1.00 0.00 C ATOM 1257 C ASN B 21 8.158 0.643 -10.675 1.00 0.00 C ATOM 1258 O ASN B 21 7.978 1.472 -11.571 1.00 0.00 O ATOM 1259 CB ASN B 21 9.620 -1.140 -11.668 1.00 0.00 C ATOM 1260 CG ASN B 21 10.939 -1.901 -11.547 1.00 0.00 C ATOM 1261 OD1 ASN B 21 10.968 -3.178 -11.806 1.00 0.00 O flip ATOM 1262 ND2 ASN B 21 11.972 -1.318 -11.215 1.00 0.00 N flip ATOM 0 H ASN B 21 9.294 -1.628 -9.155 1.00 0.00 H new ATOM 0 HA ASN B 21 10.289 0.665 -10.699 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.785 -1.837 -11.598 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.557 -0.665 -12.647 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.951 -0.319 -11.012 1.00 0.00 H new ATOM 0 HD22 ASN B 21 12.849 -1.835 -11.143 1.00 0.00 H new ATOM 1269 N LEU B 22 7.212 0.341 -9.772 1.00 0.00 N ATOM 1270 CA LEU B 22 5.902 1.002 -9.821 1.00 0.00 C ATOM 1271 C LEU B 22 5.987 2.458 -9.380 1.00 0.00 C ATOM 1272 O LEU B 22 6.797 2.828 -8.529 1.00 0.00 O ATOM 1273 CB LEU B 22 4.871 0.296 -8.923 1.00 0.00 C ATOM 1274 CG LEU B 22 4.626 -1.148 -9.359 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.353 -1.678 -8.692 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.450 -1.198 -10.858 1.00 0.00 C ATOM 0 H LEU B 22 7.325 -0.338 -9.019 1.00 0.00 H new ATOM 0 HA LEU B 22 5.583 0.949 -10.862 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.220 0.309 -7.891 1.00 0.00 H new ATOM 0 HB3 LEU B 22 3.931 0.847 -8.948 1.00 0.00 H new ATOM 0 HG LEU B 22 5.478 -1.761 -9.065 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.180 -2.708 -9.004 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.468 -1.642 -7.609 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.504 -1.062 -8.988 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.275 -2.228 -11.170 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.598 -0.582 -11.145 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.350 -0.820 -11.343 1.00 0.00 H new ATOM 1288 N ASN B 23 5.104 3.263 -9.961 1.00 0.00 N ATOM 1289 CA ASN B 23 5.001 4.684 -9.647 1.00 0.00 C ATOM 1290 C ASN B 23 4.209 4.837 -8.343 1.00 0.00 C ATOM 1291 O ASN B 23 3.410 3.967 -8.004 1.00 0.00 O ATOM 1292 CB ASN B 23 4.307 5.367 -10.862 1.00 0.00 C ATOM 1293 CG ASN B 23 3.268 6.426 -10.498 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.432 7.174 -9.556 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.197 6.539 -11.231 1.00 0.00 N ATOM 0 H ASN B 23 4.437 2.947 -10.665 1.00 0.00 H new ATOM 0 HA ASN B 23 5.970 5.157 -9.489 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.072 5.829 -11.486 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.825 4.598 -11.466 1.00 0.00 H new ATOM 0 HD21 ASN B 23 1.502 7.253 -11.012 1.00 0.00 H new ATOM 0 HD22 ASN B 23 2.053 5.914 -12.024 1.00 0.00 H new ATOM 1302 N SER B 24 4.419 5.946 -7.621 1.00 0.00 N ATOM 1303 CA SER B 24 3.695 6.173 -6.366 1.00 0.00 C ATOM 1304 C SER B 24 2.197 6.164 -6.641 1.00 0.00 C ATOM 1305 O SER B 24 1.423 5.525 -5.929 1.00 0.00 O ATOM 1306 CB SER B 24 4.107 7.521 -5.759 1.00 0.00 C ATOM 1307 OG SER B 24 3.814 8.566 -6.682 1.00 0.00 O ATOM 0 H SER B 24 5.072 6.686 -7.879 1.00 0.00 H new ATOM 0 HA SER B 24 3.939 5.381 -5.659 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.575 7.688 -4.823 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.171 7.516 -5.524 1.00 0.00 H new ATOM 0 HG SER B 24 4.603 9.137 -6.791 1.00 0.00 H new ATOM 1313 N LEU B 25 1.822 6.845 -7.718 1.00 0.00 N ATOM 1314 CA LEU B 25 0.444 6.908 -8.161 1.00 0.00 C ATOM 1315 C LEU B 25 0.006 5.555 -8.709 1.00 0.00 C ATOM 1316 O LEU B 25 -1.140 5.156 -8.517 1.00 0.00 O ATOM 1317 CB LEU B 25 0.276 7.988 -9.239 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.628 9.100 -8.736 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.791 10.172 -9.822 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.986 8.504 -8.378 1.00 0.00 C ATOM 0 H LEU B 25 2.470 7.368 -8.306 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.182 7.165 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.250 8.396 -9.509 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.146 7.547 -10.142 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.188 9.565 -7.854 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.441 10.966 -9.454 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.185 10.588 -10.072 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.233 9.724 -10.712 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.645 9.293 -8.015 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.425 8.042 -9.262 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.859 7.751 -7.600 1.00 0.00 H new ATOM 1332 N GLN B 26 0.928 4.839 -9.374 1.00 0.00 N ATOM 1333 CA GLN B 26 0.591 3.515 -9.911 1.00 0.00 C ATOM 1334 C GLN B 26 0.280 2.577 -8.763 1.00 0.00 C ATOM 1335 O GLN B 26 -0.651 1.778 -8.817 1.00 0.00 O ATOM 1336 CB GLN B 26 1.763 2.920 -10.689 1.00 0.00 C ATOM 1337 CG GLN B 26 1.648 3.212 -12.191 1.00 0.00 C ATOM 1338 CD GLN B 26 2.867 2.648 -12.909 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.738 1.942 -12.241 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.027 2.847 -14.112 1.00 0.00 N flip ATOM 0 H GLN B 26 1.885 5.145 -9.548 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.265 3.631 -10.576 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.699 3.329 -10.308 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.798 1.842 -10.529 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.737 2.766 -12.591 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.577 4.287 -12.360 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.345 3.399 -14.633 1.00 0.00 H new ATOM 0 HE22 GLN B 26 3.841 2.460 -14.589 1.00 0.00 H new ATOM 1349 N VAL B 27 1.086 2.706 -7.724 1.00 0.00 N ATOM 1350 CA VAL B 27 0.944 1.902 -6.530 1.00 0.00 C ATOM 1351 C VAL B 27 -0.382 2.208 -5.883 1.00 0.00 C ATOM 1352 O VAL B 27 -1.131 1.302 -5.525 1.00 0.00 O ATOM 1353 CB VAL B 27 2.145 2.174 -5.619 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.922 1.619 -4.208 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.362 1.494 -6.255 1.00 0.00 C ATOM 0 H VAL B 27 1.857 3.373 -7.687 1.00 0.00 H new ATOM 0 HA VAL B 27 0.941 0.836 -6.756 1.00 0.00 H new ATOM 0 HB VAL B 27 2.293 3.249 -5.522 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.795 1.831 -3.591 1.00 0.00 H new ATOM 0 HG12 VAL B 27 1.043 2.089 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.769 0.541 -4.261 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.241 1.665 -5.633 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.179 0.423 -6.337 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.533 1.910 -7.248 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.694 3.487 -5.814 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.963 3.922 -5.293 1.00 0.00 C ATOM 1367 C VAL B 28 -3.070 3.382 -6.207 1.00 0.00 C ATOM 1368 O VAL B 28 -4.150 3.032 -5.745 1.00 0.00 O ATOM 1369 CB VAL B 28 -1.999 5.453 -5.233 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.374 5.908 -4.744 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.907 5.961 -4.271 1.00 0.00 C ATOM 0 H VAL B 28 -0.079 4.242 -6.115 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.113 3.543 -4.282 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.815 5.861 -6.227 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.403 6.997 -4.700 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.141 5.552 -5.432 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.560 5.500 -3.751 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.935 7.050 -4.231 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.083 5.556 -3.274 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.071 5.636 -4.627 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.770 3.305 -7.509 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.720 2.798 -8.490 1.00 0.00 C ATOM 1383 C ALA B 29 -4.107 1.378 -8.127 1.00 0.00 C ATOM 1384 O ALA B 29 -5.284 1.013 -8.156 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.085 2.812 -9.889 1.00 0.00 C ATOM 0 H ALA B 29 -1.873 3.590 -7.902 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.607 3.432 -8.493 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.801 2.432 -10.617 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.807 3.833 -10.152 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.196 2.182 -9.891 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.098 0.585 -7.772 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.311 -0.776 -7.398 1.00 0.00 C ATOM 1393 C PHE B 30 -3.963 -0.853 -6.018 1.00 0.00 C ATOM 1394 O PHE B 30 -4.934 -1.578 -5.845 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.960 -1.508 -7.446 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.443 -1.499 -8.885 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.246 -1.975 -9.944 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.170 -0.967 -9.175 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.778 -1.912 -11.255 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.285 -0.919 -10.488 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.517 -1.387 -11.529 1.00 0.00 C ATOM 0 H PHE B 30 -2.123 0.883 -7.742 1.00 0.00 H new ATOM 0 HA PHE B 30 -3.996 -1.262 -8.093 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.243 -1.021 -6.785 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.074 -2.533 -7.093 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.223 -2.388 -9.738 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.453 -0.596 -8.375 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.397 -2.272 -12.064 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.264 -0.517 -10.703 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.160 -1.342 -12.547 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.460 -0.073 -5.052 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.039 -0.076 -3.702 1.00 0.00 C ATOM 1413 C ILE B 31 -5.516 0.303 -3.763 1.00 0.00 C ATOM 1414 O ILE B 31 -6.371 -0.377 -3.195 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.291 0.918 -2.798 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.825 0.482 -2.633 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.960 0.957 -1.417 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.009 1.637 -2.041 1.00 0.00 C ATOM 0 H ILE B 31 -2.668 0.557 -5.176 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.941 -1.079 -3.287 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.325 1.907 -3.256 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.765 -0.390 -1.982 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.412 0.188 -3.598 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.430 1.661 -0.776 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -4.998 1.273 -1.524 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.928 -0.036 -0.969 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.029 1.327 -1.925 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.058 2.497 -2.709 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.417 1.910 -1.068 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.797 1.383 -4.475 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.159 1.862 -4.644 1.00 0.00 C ATOM 1432 C ASN B 32 -8.028 0.810 -5.330 1.00 0.00 C ATOM 1433 O ASN B 32 -9.234 0.757 -5.097 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.143 3.140 -5.484 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.512 3.806 -5.491 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.296 3.661 -4.551 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.839 4.538 -6.510 1.00 0.00 N ATOM 0 H ASN B 32 -5.093 1.948 -4.949 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.581 2.066 -3.660 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.400 3.832 -5.086 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -6.844 2.904 -6.505 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.749 4.998 -6.537 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -8.186 4.654 -7.285 1.00 0.00 H new ATOM 1444 N SER B 33 -7.413 -0.030 -6.171 1.00 0.00 N ATOM 1445 CA SER B 33 -8.145 -1.057 -6.864 1.00 0.00 C ATOM 1446 C SER B 33 -8.457 -2.199 -5.909 1.00 0.00 C ATOM 1447 O SER B 33 -9.481 -2.857 -6.054 1.00 0.00 O ATOM 1448 CB SER B 33 -7.386 -1.502 -8.100 1.00 0.00 C ATOM 1449 OG SER B 33 -7.673 -0.612 -9.172 1.00 0.00 O ATOM 0 H SER B 33 -6.414 -0.007 -6.377 1.00 0.00 H new ATOM 0 HA SER B 33 -9.100 -0.665 -7.214 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.315 -1.514 -7.899 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.671 -2.519 -8.370 1.00 0.00 H new ATOM 0 HG SER B 33 -7.032 0.129 -9.163 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.598 -2.403 -4.894 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.879 -3.439 -3.899 1.00 0.00 C ATOM 1457 C LEU B 34 -9.163 -3.015 -3.197 1.00 0.00 C ATOM 1458 O LEU B 34 -10.078 -3.811 -3.005 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.760 -3.570 -2.851 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.374 -3.486 -3.497 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.287 -3.662 -2.459 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.211 -4.574 -4.521 1.00 0.00 C ATOM 0 H LEU B 34 -6.734 -1.881 -4.747 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.961 -4.406 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.864 -2.781 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.861 -4.520 -2.326 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.288 -2.505 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.311 -3.599 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.372 -2.878 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.394 -4.636 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.222 -4.503 -4.973 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.322 -5.546 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.972 -4.463 -5.294 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.225 -1.716 -2.864 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.429 -1.141 -2.237 1.00 0.00 C ATOM 1476 C ARG B 35 -11.624 -1.352 -3.159 1.00 0.00 C ATOM 1477 O ARG B 35 -12.708 -1.744 -2.721 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.269 0.376 -2.003 1.00 0.00 C ATOM 1479 CG ARG B 35 -9.305 0.643 -0.848 1.00 0.00 C ATOM 1480 CD ARG B 35 -9.300 2.122 -0.472 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.893 2.283 0.927 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.419 3.238 1.686 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -8.866 4.416 1.733 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -10.494 2.997 2.380 1.00 0.00 N ATOM 0 H ARG B 35 -8.467 -1.050 -3.015 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.578 -1.637 -1.278 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.898 0.852 -2.911 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -11.240 0.820 -1.784 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -9.593 0.045 0.017 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -8.299 0.332 -1.130 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.618 2.669 -1.123 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -10.293 2.547 -0.622 1.00 0.00 H new ATOM 0 HE ARG B 35 -8.196 1.653 1.323 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.027 4.608 1.186 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -9.272 5.147 2.317 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -10.931 2.076 2.340 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -10.899 3.729 2.963 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.393 -1.085 -4.444 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.417 -1.235 -5.471 1.00 0.00 C ATOM 1500 C ASP B 36 -12.834 -2.697 -5.611 1.00 0.00 C ATOM 1501 O ASP B 36 -14.009 -3.004 -5.824 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.858 -0.726 -6.810 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.549 0.781 -6.755 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -12.118 1.471 -5.922 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.739 1.223 -7.555 1.00 0.00 O ATOM 0 H ASP B 36 -10.494 -0.760 -4.799 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.295 -0.655 -5.185 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -10.950 -1.276 -7.059 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.578 -0.922 -7.604 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.850 -3.588 -5.495 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.082 -5.029 -5.615 1.00 0.00 C ATOM 1512 C ASP B 37 -11.087 -5.789 -4.745 1.00 0.00 C ATOM 1513 O ASP B 37 -9.976 -6.112 -5.178 1.00 0.00 O ATOM 1514 CB ASP B 37 -11.966 -5.491 -7.086 1.00 0.00 C ATOM 1515 CG ASP B 37 -12.099 -4.311 -8.053 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -11.088 -3.690 -8.343 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -13.208 -4.048 -8.487 1.00 0.00 O ATOM 0 H ASP B 37 -10.878 -3.336 -5.317 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.095 -5.242 -5.273 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.006 -5.983 -7.240 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.740 -6.228 -7.300 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.465 -6.069 -3.521 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.592 -6.797 -2.568 1.00 0.00 C ATOM 1524 C PRO B 38 -10.381 -8.252 -2.971 1.00 0.00 C ATOM 1525 O PRO B 38 -9.312 -8.822 -2.738 1.00 0.00 O ATOM 1526 CB PRO B 38 -11.307 -6.697 -1.225 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.552 -5.894 -1.427 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.764 -5.726 -2.924 1.00 0.00 C ATOM 0 HA PRO B 38 -9.592 -6.364 -2.540 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.550 -7.690 -0.847 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.663 -6.223 -0.484 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.407 -6.396 -0.975 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.461 -4.921 -0.943 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.554 -6.382 -3.289 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -13.057 -4.706 -3.171 1.00 0.00 H new ATOM 1536 N SER B 39 -11.403 -8.838 -3.594 1.00 0.00 N ATOM 1537 CA SER B 39 -11.321 -10.216 -4.050 1.00 0.00 C ATOM 1538 C SER B 39 -10.263 -10.314 -5.136 1.00 0.00 C ATOM 1539 O SER B 39 -9.530 -11.301 -5.220 1.00 0.00 O ATOM 1540 CB SER B 39 -12.675 -10.675 -4.596 1.00 0.00 C ATOM 1541 OG SER B 39 -12.622 -12.068 -4.881 1.00 0.00 O ATOM 0 H SER B 39 -12.292 -8.378 -3.792 1.00 0.00 H new ATOM 0 HA SER B 39 -11.051 -10.860 -3.213 1.00 0.00 H new ATOM 0 HB2 SER B 39 -13.461 -10.471 -3.869 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.924 -10.117 -5.499 1.00 0.00 H new ATOM 0 HG SER B 39 -13.489 -12.364 -5.229 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.193 -9.263 -5.961 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.228 -9.206 -7.043 1.00 0.00 C ATOM 1549 C GLN B 40 -8.012 -8.387 -6.647 1.00 0.00 C ATOM 1550 O GLN B 40 -7.289 -7.910 -7.518 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.847 -8.637 -8.331 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.384 -8.652 -8.271 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.957 -7.962 -9.506 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.466 -6.816 -9.880 1.00 0.00 O flip ATOM 1555 NE2 GLN B 40 -12.868 -8.484 -10.147 1.00 0.00 N flip ATOM 0 H GLN B 40 -10.798 -8.444 -5.892 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.914 -10.231 -7.242 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.498 -7.616 -8.484 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.509 -9.221 -9.187 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.745 -9.679 -8.217 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.727 -8.146 -7.369 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.250 -9.382 -9.851 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.241 -8.019 -10.975 1.00 0.00 H new ATOM 1564 N SER B 41 -7.759 -8.237 -5.338 1.00 0.00 N ATOM 1565 CA SER B 41 -6.590 -7.488 -4.901 1.00 0.00 C ATOM 1566 C SER B 41 -5.347 -8.068 -5.561 1.00 0.00 C ATOM 1567 O SER B 41 -4.392 -7.357 -5.859 1.00 0.00 O ATOM 1568 CB SER B 41 -6.444 -7.583 -3.379 1.00 0.00 C ATOM 1569 OG SER B 41 -7.457 -6.816 -2.755 1.00 0.00 O ATOM 0 H SER B 41 -8.336 -8.616 -4.587 1.00 0.00 H new ATOM 0 HA SER B 41 -6.709 -6.442 -5.185 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.514 -8.623 -3.061 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.461 -7.222 -3.075 1.00 0.00 H new ATOM 0 HG SER B 41 -7.572 -7.118 -1.830 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.411 -9.369 -5.791 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.345 -10.116 -6.436 1.00 0.00 C ATOM 1577 C ALA B 42 -4.283 -9.813 -7.936 1.00 0.00 C ATOM 1578 O ALA B 42 -3.236 -9.967 -8.560 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.617 -11.605 -6.248 1.00 0.00 C ATOM 0 H ALA B 42 -6.214 -9.942 -5.532 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.395 -9.828 -5.987 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.826 -12.183 -6.726 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.644 -11.838 -5.184 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.576 -11.860 -6.700 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.432 -9.424 -8.499 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.565 -9.141 -9.926 1.00 0.00 C ATOM 1587 C ASN B 43 -4.849 -7.873 -10.341 1.00 0.00 C ATOM 1588 O ASN B 43 -4.038 -7.882 -11.260 1.00 0.00 O ATOM 1589 CB ASN B 43 -7.029 -8.983 -10.243 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.273 -9.128 -11.743 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -6.862 -8.192 -12.554 1.00 0.00 O flip ATOM 1592 ND2 ASN B 43 -7.842 -10.123 -12.188 1.00 0.00 N flip ATOM 0 H ASN B 43 -6.297 -9.297 -7.973 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.113 -9.970 -10.471 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.607 -9.732 -9.701 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.376 -8.007 -9.905 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -8.163 -10.854 -11.553 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -7.993 -10.218 -13.192 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.154 -6.781 -9.657 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.518 -5.533 -9.964 1.00 0.00 C ATOM 1601 C LEU B 44 -3.100 -5.597 -9.420 1.00 0.00 C ATOM 1602 O LEU B 44 -2.183 -4.994 -9.953 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.366 -4.316 -9.516 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.506 -4.158 -8.013 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.425 -5.225 -7.455 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.159 -4.150 -7.320 1.00 0.00 C ATOM 0 H LEU B 44 -5.832 -6.744 -8.896 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.446 -5.374 -11.040 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.918 -3.409 -9.923 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.361 -4.404 -9.952 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.959 -3.187 -7.814 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.516 -5.099 -6.376 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.409 -5.135 -7.915 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.012 -6.210 -7.672 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.303 -4.035 -6.246 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.642 -5.089 -7.518 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.561 -3.320 -7.697 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.919 -6.418 -8.386 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.597 -6.658 -7.850 1.00 0.00 C ATOM 1620 C LEU B 45 -0.837 -7.341 -8.968 1.00 0.00 C ATOM 1621 O LEU B 45 0.343 -7.100 -9.204 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.689 -7.581 -6.627 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.395 -8.388 -6.450 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.777 -7.434 -6.234 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.533 -9.335 -5.249 1.00 0.00 C ATOM 0 H LEU B 45 -3.670 -6.920 -7.912 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.108 -5.739 -7.527 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.877 -6.988 -5.732 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.533 -8.261 -6.742 1.00 0.00 H new ATOM 0 HG LEU B 45 -0.212 -8.980 -7.347 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.695 -8.008 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.875 -6.777 -7.098 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.599 -6.835 -5.341 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.388 -9.905 -5.128 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.721 -8.753 -4.347 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.364 -10.020 -5.419 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.587 -8.167 -9.684 1.00 0.00 N ATOM 1638 CA ALA B 46 -1.056 -8.878 -10.829 1.00 0.00 C ATOM 1639 C ALA B 46 -0.648 -7.835 -11.858 1.00 0.00 C ATOM 1640 O ALA B 46 0.429 -7.904 -12.448 1.00 0.00 O ATOM 1641 CB ALA B 46 -2.124 -9.817 -11.412 1.00 0.00 C ATOM 0 H ALA B 46 -2.569 -8.359 -9.487 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.200 -9.489 -10.542 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.713 -10.346 -12.272 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.427 -10.538 -10.653 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.990 -9.234 -11.725 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.521 -6.834 -12.005 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.283 -5.715 -12.898 1.00 0.00 C ATOM 1649 C GLU B 47 -0.058 -4.944 -12.422 1.00 0.00 C ATOM 1650 O GLU B 47 0.672 -4.366 -13.220 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.489 -4.755 -12.896 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.731 -5.408 -13.486 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.484 -5.844 -14.933 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.153 -4.993 -15.744 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.619 -7.026 -15.205 1.00 0.00 O ATOM 0 H GLU B 47 -2.409 -6.784 -11.506 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.129 -6.103 -13.905 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.697 -4.434 -11.875 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.242 -3.860 -13.467 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.013 -6.272 -12.885 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.566 -4.709 -13.450 1.00 0.00 H new ATOM 1662 N ALA B 48 0.122 -4.917 -11.098 1.00 0.00 N ATOM 1663 CA ALA B 48 1.215 -4.194 -10.477 1.00 0.00 C ATOM 1664 C ALA B 48 2.540 -4.879 -10.684 1.00 0.00 C ATOM 1665 O ALA B 48 3.504 -4.260 -11.101 1.00 0.00 O ATOM 1666 CB ALA B 48 0.949 -4.162 -8.985 1.00 0.00 C ATOM 0 H ALA B 48 -0.488 -5.397 -10.436 1.00 0.00 H new ATOM 0 HA ALA B 48 1.268 -3.201 -10.923 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.754 -3.624 -8.483 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.002 -3.657 -8.795 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.900 -5.181 -8.602 1.00 0.00 H new ATOM 1672 N LYS B 49 2.570 -6.167 -10.411 1.00 0.00 N ATOM 1673 CA LYS B 49 3.777 -6.944 -10.588 1.00 0.00 C ATOM 1674 C LYS B 49 4.141 -6.908 -12.064 1.00 0.00 C ATOM 1675 O LYS B 49 5.312 -6.857 -12.437 1.00 0.00 O ATOM 1676 CB LYS B 49 3.529 -8.360 -10.076 1.00 0.00 C ATOM 1677 CG LYS B 49 3.494 -8.371 -8.546 1.00 0.00 C ATOM 1678 CD LYS B 49 3.390 -9.822 -8.052 1.00 0.00 C ATOM 1679 CE LYS B 49 2.016 -10.409 -8.415 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.461 -11.143 -7.244 1.00 0.00 N ATOM 0 H LYS B 49 1.770 -6.698 -10.065 1.00 0.00 H new ATOM 0 HA LYS B 49 4.615 -6.538 -10.021 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.586 -8.737 -10.471 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.314 -9.026 -10.434 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.393 -7.902 -8.147 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.645 -7.790 -8.186 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.181 -10.424 -8.500 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.535 -9.858 -6.972 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.336 -9.611 -8.713 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.110 -11.082 -9.267 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.426 -11.041 -7.229 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 1.708 -12.151 -7.317 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 1.860 -10.751 -6.367 1.00 0.00 H new ATOM 1694 N LYS B 50 3.093 -6.867 -12.881 1.00 0.00 N ATOM 1695 CA LYS B 50 3.218 -6.761 -14.326 1.00 0.00 C ATOM 1696 C LYS B 50 3.708 -5.374 -14.707 1.00 0.00 C ATOM 1697 O LYS B 50 4.537 -5.227 -15.593 1.00 0.00 O ATOM 1698 CB LYS B 50 1.857 -7.001 -14.952 1.00 0.00 C ATOM 1699 CG LYS B 50 1.965 -7.078 -16.480 1.00 0.00 C ATOM 1700 CD LYS B 50 0.604 -7.475 -17.070 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.357 -6.279 -17.038 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.709 -6.721 -17.482 1.00 0.00 N ATOM 0 H LYS B 50 2.128 -6.907 -12.554 1.00 0.00 H new ATOM 0 HA LYS B 50 3.934 -7.500 -14.684 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.433 -7.928 -14.566 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.176 -6.198 -14.671 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.281 -6.115 -16.882 1.00 0.00 H new ATOM 0 HG3 LYS B 50 2.724 -7.807 -16.765 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.731 -7.821 -18.096 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.182 -8.305 -16.503 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.409 -5.867 -16.030 1.00 0.00 H new ATOM 0 HE3 LYS B 50 0.010 -5.485 -17.688 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.412 -5.999 -17.226 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.709 -6.854 -18.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -1.951 -7.619 -17.017 1.00 0.00 H new ATOM 1716 N LEU B 51 3.174 -4.355 -14.030 1.00 0.00 N ATOM 1717 CA LEU B 51 3.568 -2.977 -14.307 1.00 0.00 C ATOM 1718 C LEU B 51 4.993 -2.773 -13.888 1.00 0.00 C ATOM 1719 O LEU B 51 5.791 -2.171 -14.605 1.00 0.00 O ATOM 1720 CB LEU B 51 2.663 -1.990 -13.562 1.00 0.00 C ATOM 1721 CG LEU B 51 1.756 -1.274 -14.560 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.616 -0.376 -15.468 1.00 0.00 C ATOM 1723 CD2 LEU B 51 0.976 -2.307 -15.399 1.00 0.00 C ATOM 0 H LEU B 51 2.475 -4.458 -13.294 1.00 0.00 H new ATOM 0 HA LEU B 51 3.467 -2.794 -15.377 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.061 -2.519 -12.823 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.268 -1.264 -13.019 1.00 0.00 H new ATOM 0 HG LEU B 51 1.035 -0.655 -14.025 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.975 0.139 -16.183 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.143 0.359 -14.859 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.340 -0.989 -16.005 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.332 -1.788 -16.108 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.678 -2.939 -15.942 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.366 -2.925 -14.740 1.00 0.00 H new ATOM 1735 N ASN B 52 5.311 -3.334 -12.742 1.00 0.00 N ATOM 1736 CA ASN B 52 6.661 -3.276 -12.238 1.00 0.00 C ATOM 1737 C ASN B 52 7.534 -3.982 -13.244 1.00 0.00 C ATOM 1738 O ASN B 52 8.635 -3.535 -13.558 1.00 0.00 O ATOM 1739 CB ASN B 52 6.751 -3.958 -10.879 1.00 0.00 C ATOM 1740 CG ASN B 52 8.201 -4.036 -10.419 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.663 -3.204 -9.642 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.951 -4.992 -10.870 1.00 0.00 N ATOM 0 H ASN B 52 4.653 -3.834 -12.144 1.00 0.00 H new ATOM 0 HA ASN B 52 6.983 -2.243 -12.103 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.160 -3.406 -10.148 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.328 -4.961 -10.939 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.927 -5.055 -10.580 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.565 -5.682 -11.515 1.00 0.00 H new ATOM 1749 N ASP B 53 6.985 -5.072 -13.777 1.00 0.00 N ATOM 1750 CA ASP B 53 7.683 -5.832 -14.804 1.00 0.00 C ATOM 1751 C ASP B 53 7.789 -4.983 -16.070 1.00 0.00 C ATOM 1752 O ASP B 53 8.783 -5.036 -16.796 1.00 0.00 O ATOM 1753 CB ASP B 53 6.942 -7.136 -15.118 1.00 0.00 C ATOM 1754 CG ASP B 53 7.806 -8.026 -16.011 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.638 -8.741 -15.476 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.625 -7.977 -17.217 1.00 0.00 O ATOM 0 H ASP B 53 6.071 -5.443 -13.517 1.00 0.00 H new ATOM 0 HA ASP B 53 8.678 -6.084 -14.439 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.702 -7.659 -14.193 1.00 0.00 H new ATOM 0 HB3 ASP B 53 5.997 -6.916 -15.615 1.00 0.00 H new ATOM 1761 N ALA B 54 6.735 -4.199 -16.313 1.00 0.00 N ATOM 1762 CA ALA B 54 6.661 -3.324 -17.473 1.00 0.00 C ATOM 1763 C ALA B 54 7.714 -2.222 -17.389 1.00 0.00 C ATOM 1764 O ALA B 54 8.321 -1.851 -18.397 1.00 0.00 O ATOM 1765 CB ALA B 54 5.264 -2.703 -17.545 1.00 0.00 C ATOM 0 H ALA B 54 5.914 -4.157 -15.709 1.00 0.00 H new ATOM 0 HA ALA B 54 6.853 -3.911 -18.371 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.202 -2.046 -18.413 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.519 -3.493 -17.635 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.075 -2.127 -16.639 1.00 0.00 H new ATOM 1771 N GLN B 55 7.923 -1.708 -16.176 1.00 0.00 N ATOM 1772 CA GLN B 55 8.898 -0.649 -15.945 1.00 0.00 C ATOM 1773 C GLN B 55 10.252 -1.221 -15.527 1.00 0.00 C ATOM 1774 O GLN B 55 11.211 -0.473 -15.319 1.00 0.00 O ATOM 1775 CB GLN B 55 8.377 0.262 -14.852 1.00 0.00 C ATOM 1776 CG GLN B 55 7.096 0.956 -15.310 1.00 0.00 C ATOM 1777 CD GLN B 55 6.219 1.234 -14.101 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.843 0.235 -13.352 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 5.876 2.383 -13.825 1.00 0.00 N flip ATOM 0 H GLN B 55 7.427 -2.011 -15.338 1.00 0.00 H new ATOM 0 HA GLN B 55 9.038 -0.095 -16.873 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.183 -0.316 -13.948 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.132 1.006 -14.598 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.336 1.888 -15.822 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.563 0.328 -16.024 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.174 3.160 -14.415 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.294 2.559 -13.006 1.00 0.00 H new ATOM 1788 N ALA B 56 10.321 -2.547 -15.393 1.00 0.00 N ATOM 1789 CA ALA B 56 11.564 -3.208 -14.983 1.00 0.00 C ATOM 1790 C ALA B 56 12.653 -3.048 -16.031 1.00 0.00 C ATOM 1791 O ALA B 56 12.381 -2.691 -17.180 1.00 0.00 O ATOM 1792 CB ALA B 56 11.330 -4.697 -14.736 1.00 0.00 C ATOM 0 H ALA B 56 9.539 -3.180 -15.560 1.00 0.00 H new ATOM 0 HA ALA B 56 11.889 -2.729 -14.059 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.266 -5.167 -14.433 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.588 -4.823 -13.947 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.969 -5.165 -15.652 1.00 0.00 H new