USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=25 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= -0.654 F(o=-7.7,f=-5.2) USER MOD Set 1.2: B 52 ASN : amide:sc= -4.5! C(o=-5.2!,f=-13!) USER MOD Set 2.1: B 26 GLN :FLIP amide:sc= -0.605 F(o=-16!,f=-3.4) USER MOD Set 2.2: B 55 GLN : amide:sc= -2.8! C(o=-3.4!,f=-4.1!) USER MOD Set 3.1: B 23 ASN : amide:sc= -8.07! C(o=-8.2!,f=-17!) USER MOD Set 3.2: B 24 SER OG : rot 180:sc= -0.147 USER MOD Set 4.1: A 23 ASN : amide:sc= -4.97! C(o=-8.8!,f=-17!) USER MOD Set 4.2: A 26 GLN :FLIP amide:sc= -1.34 F(o=-11!,f=-8.8) USER MOD Set 4.3: A 55 GLN :FLIP amide:sc= -2.46! C(o=-13!,f=-8.8!) USER MOD Set 5.1: A 21 ASN : amide:sc= -0.837 K(o=-6,f=-6.8) USER MOD Set 5.2: A 52 ASN :FLIP amide:sc= -5.14! C(o=-8.1!,f=-6!) USER MOD Set 6.1: A 13 THR OG1 : rot 117:sc= -2.83 USER MOD Set 6.2: B 17 MET CE :methyl -118:sc= -11.9! (180deg=-11.8!) USER MOD Single : A 4 LYS NZ :NH3+ -112:sc= 0.159 (180deg=-3.68!) USER MOD Single : A 6 ASN : amide:sc= -2.54 K(o=-2.5,f=-8.6!) USER MOD Single : A 7 LYS NZ :NH3+ 151:sc= -0.538 (180deg=-3.14!) USER MOD Single : A 18 ASN : amide:sc= -3.48 K(o=-3.5,f=-7.9!) USER MOD Single : A 28 LYS NZ :NH3+ 135:sc= -0.0785 (180deg=-0.582) USER MOD Single : A 33 SER OG : rot 73:sc= 1.18 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 41 SER OG : rot -92:sc= 0.53 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.133) USER MOD Single : A 50 LYS NZ :NH3+ 147:sc= 1.07 (180deg=0.33) USER MOD Single : B 6 ASN :FLIP amide:sc= 0.103 F(o=-1.4!,f=0.1) USER MOD Single : B 7 LYS NZ :NH3+ -128:sc= 0.796 (180deg=-0.169) USER MOD Single : B 32 ASN :FLIP amide:sc= -3.17! C(o=-4!,f=-3.2!) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= -0.0441 USER MOD Single : B 40 GLN : amide:sc= -0.211 X(o=-0.21,f=0) USER MOD Single : B 41 SER OG : rot -84:sc= -2.89! USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 163:sc= 0.19 (180deg=-0.645!) USER MOD Single : B 50 LYS NZ :NH3+ 159:sc= 0.63 (180deg=0.178) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 6.340 -10.894 6.807 1.00 0.00 N ATOM 46 CA LYS A 4 5.675 -10.026 7.786 1.00 0.00 C ATOM 47 C LYS A 4 5.871 -8.552 7.425 1.00 0.00 C ATOM 48 O LYS A 4 4.915 -7.782 7.420 1.00 0.00 O ATOM 49 CB LYS A 4 6.227 -10.298 9.195 1.00 0.00 C ATOM 50 CG LYS A 4 5.446 -9.491 10.244 1.00 0.00 C ATOM 51 CD LYS A 4 4.119 -10.195 10.549 1.00 0.00 C ATOM 52 CE LYS A 4 3.355 -9.426 11.634 1.00 0.00 C ATOM 53 NZ LYS A 4 2.596 -8.306 11.008 1.00 0.00 N ATOM 0 HA LYS A 4 4.608 -10.247 7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.157 -11.362 9.420 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.283 -10.032 9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.036 -9.393 11.156 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.258 -8.482 9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.515 -10.259 9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.307 -11.216 10.880 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.672 -10.095 12.156 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.051 -9.037 12.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.007 -7.399 11.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.650 -8.386 9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.601 -8.351 11.307 1.00 0.00 H new ATOM 67 N PHE A 5 7.112 -8.174 7.112 1.00 0.00 N ATOM 68 CA PHE A 5 7.420 -6.800 6.743 1.00 0.00 C ATOM 69 C PHE A 5 6.649 -6.405 5.483 1.00 0.00 C ATOM 70 O PHE A 5 6.146 -5.295 5.393 1.00 0.00 O ATOM 71 CB PHE A 5 8.935 -6.623 6.535 1.00 0.00 C ATOM 72 CG PHE A 5 9.349 -7.130 5.166 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.487 -8.504 4.939 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.588 -6.221 4.127 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.864 -8.970 3.675 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.965 -6.688 2.863 1.00 0.00 C ATOM 77 CZ PHE A 5 10.103 -8.063 2.637 1.00 0.00 C ATOM 0 H PHE A 5 7.915 -8.802 7.108 1.00 0.00 H new ATOM 0 HA PHE A 5 7.111 -6.143 7.556 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.201 -5.571 6.635 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.479 -7.164 7.309 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.302 -9.205 5.740 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.481 -5.161 4.302 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.971 -10.030 3.500 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.150 -5.988 2.062 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.394 -8.423 1.661 1.00 0.00 H new ATOM 87 N ASN A 6 6.547 -7.336 4.521 1.00 0.00 N ATOM 88 CA ASN A 6 5.810 -7.081 3.285 1.00 0.00 C ATOM 89 C ASN A 6 4.338 -6.914 3.598 1.00 0.00 C ATOM 90 O ASN A 6 3.675 -6.006 3.100 1.00 0.00 O ATOM 91 CB ASN A 6 5.962 -8.266 2.332 1.00 0.00 C ATOM 92 CG ASN A 6 5.216 -8.002 1.030 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.367 -6.946 0.433 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.396 -8.906 0.566 1.00 0.00 N ATOM 0 H ASN A 6 6.965 -8.265 4.580 1.00 0.00 H new ATOM 0 HA ASN A 6 6.207 -6.177 2.823 1.00 0.00 H new ATOM 0 HB2 ASN A 6 7.018 -8.440 2.124 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.576 -9.170 2.802 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.880 -8.732 -0.296 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.272 -9.786 1.066 1.00 0.00 H new ATOM 101 N LYS A 7 3.849 -7.811 4.441 1.00 0.00 N ATOM 102 CA LYS A 7 2.468 -7.803 4.851 1.00 0.00 C ATOM 103 C LYS A 7 2.185 -6.486 5.548 1.00 0.00 C ATOM 104 O LYS A 7 1.167 -5.840 5.317 1.00 0.00 O ATOM 105 CB LYS A 7 2.231 -8.992 5.796 1.00 0.00 C ATOM 106 CG LYS A 7 0.738 -9.296 5.883 1.00 0.00 C ATOM 107 CD LYS A 7 0.509 -10.682 6.502 1.00 0.00 C ATOM 108 CE LYS A 7 -0.664 -11.363 5.790 1.00 0.00 C ATOM 109 NZ LYS A 7 -1.904 -10.556 5.983 1.00 0.00 N ATOM 0 H LYS A 7 4.404 -8.560 4.855 1.00 0.00 H new ATOM 0 HA LYS A 7 1.799 -7.900 3.996 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.769 -9.868 5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.623 -8.764 6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.240 -8.535 6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.294 -9.257 4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.409 -11.289 6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.298 -10.588 7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.447 -11.466 4.727 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.808 -12.369 6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.538 -10.693 5.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.385 -10.862 6.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.654 -9.549 6.061 1.00 0.00 H new ATOM 123 N GLU A 8 3.129 -6.088 6.385 1.00 0.00 N ATOM 124 CA GLU A 8 3.017 -4.840 7.111 1.00 0.00 C ATOM 125 C GLU A 8 3.233 -3.642 6.188 1.00 0.00 C ATOM 126 O GLU A 8 2.549 -2.632 6.301 1.00 0.00 O ATOM 127 CB GLU A 8 4.024 -4.825 8.258 1.00 0.00 C ATOM 128 CG GLU A 8 3.579 -5.810 9.353 1.00 0.00 C ATOM 129 CD GLU A 8 4.659 -5.953 10.434 1.00 0.00 C ATOM 130 OE1 GLU A 8 5.833 -5.950 10.090 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.294 -6.098 11.589 1.00 0.00 O ATOM 0 H GLU A 8 3.982 -6.614 6.577 1.00 0.00 H new ATOM 0 HA GLU A 8 2.009 -4.762 7.517 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.013 -5.098 7.890 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.104 -3.819 8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.650 -5.462 9.805 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.372 -6.784 8.909 1.00 0.00 H new ATOM 138 N LEU A 9 4.163 -3.791 5.253 1.00 0.00 N ATOM 139 CA LEU A 9 4.456 -2.749 4.261 1.00 0.00 C ATOM 140 C LEU A 9 3.193 -2.478 3.480 1.00 0.00 C ATOM 141 O LEU A 9 2.859 -1.332 3.200 1.00 0.00 O ATOM 142 CB LEU A 9 5.586 -3.236 3.334 1.00 0.00 C ATOM 143 CG LEU A 9 5.760 -2.298 2.126 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.534 -1.032 2.490 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.524 -3.023 1.038 1.00 0.00 C ATOM 0 H LEU A 9 4.735 -4.630 5.156 1.00 0.00 H new ATOM 0 HA LEU A 9 4.785 -1.829 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.520 -3.290 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.364 -4.245 2.985 1.00 0.00 H new ATOM 0 HG LEU A 9 4.764 -2.010 1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.633 -0.400 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.997 -0.488 3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.525 -1.303 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.650 -2.363 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.503 -3.318 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.970 -3.911 0.734 1.00 0.00 H new ATOM 157 N GLY A 10 2.468 -3.541 3.175 1.00 0.00 N ATOM 158 CA GLY A 10 1.232 -3.404 2.475 1.00 0.00 C ATOM 159 C GLY A 10 0.175 -2.838 3.396 1.00 0.00 C ATOM 160 O GLY A 10 -0.646 -2.016 3.001 1.00 0.00 O ATOM 0 H GLY A 10 2.725 -4.500 3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.363 -2.749 1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.912 -4.373 2.093 1.00 0.00 H new ATOM 164 N TRP A 11 0.167 -3.314 4.628 1.00 0.00 N ATOM 165 CA TRP A 11 -0.831 -2.855 5.561 1.00 0.00 C ATOM 166 C TRP A 11 -0.658 -1.437 6.001 1.00 0.00 C ATOM 167 O TRP A 11 -1.617 -0.667 5.959 1.00 0.00 O ATOM 168 CB TRP A 11 -0.974 -3.783 6.745 1.00 0.00 C ATOM 169 CG TRP A 11 -2.439 -3.881 7.074 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.920 -4.000 8.314 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.617 -3.842 6.180 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.301 -4.070 8.259 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.775 -3.966 6.970 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.795 -3.722 4.778 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -6.051 -3.966 6.404 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.061 -3.721 4.206 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.198 -3.841 5.015 1.00 0.00 C ATOM 0 H TRP A 11 0.825 -4.001 4.994 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.764 -2.876 4.998 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.568 -4.767 6.511 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.415 -3.402 7.599 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.326 -4.036 9.215 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.898 -4.185 9.078 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.928 -3.629 4.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.923 -4.062 7.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.169 -3.628 3.135 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.183 -3.837 4.571 1.00 0.00 H new ATOM 188 N ALA A 12 0.530 -1.076 6.424 1.00 0.00 N ATOM 189 CA ALA A 12 0.736 0.277 6.854 1.00 0.00 C ATOM 190 C ALA A 12 0.355 1.205 5.698 1.00 0.00 C ATOM 191 O ALA A 12 -0.276 2.234 5.901 1.00 0.00 O ATOM 192 CB ALA A 12 2.187 0.475 7.294 1.00 0.00 C ATOM 0 H ALA A 12 1.346 -1.685 6.478 1.00 0.00 H new ATOM 0 HA ALA A 12 0.111 0.510 7.716 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.331 1.506 7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.412 -0.200 8.120 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.853 0.261 6.458 1.00 0.00 H new ATOM 198 N THR A 13 0.675 0.770 4.471 1.00 0.00 N ATOM 199 CA THR A 13 0.305 1.504 3.262 1.00 0.00 C ATOM 200 C THR A 13 -1.201 1.710 3.225 1.00 0.00 C ATOM 201 O THR A 13 -1.669 2.818 2.987 1.00 0.00 O ATOM 202 CB THR A 13 0.760 0.686 2.055 1.00 0.00 C ATOM 203 OG1 THR A 13 2.158 0.802 1.938 1.00 0.00 O ATOM 204 CG2 THR A 13 0.092 1.172 0.772 1.00 0.00 C ATOM 0 H THR A 13 1.192 -0.091 4.294 1.00 0.00 H new ATOM 0 HA THR A 13 0.782 2.484 3.249 1.00 0.00 H new ATOM 0 HB THR A 13 0.474 -0.355 2.204 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.570 -0.080 2.053 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.437 0.570 -0.068 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.990 1.077 0.867 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.351 2.217 0.600 1.00 0.00 H new ATOM 212 N TRP A 14 -1.939 0.633 3.487 1.00 0.00 N ATOM 213 CA TRP A 14 -3.401 0.669 3.502 1.00 0.00 C ATOM 214 C TRP A 14 -3.931 1.548 4.622 1.00 0.00 C ATOM 215 O TRP A 14 -4.839 2.342 4.423 1.00 0.00 O ATOM 216 CB TRP A 14 -3.917 -0.741 3.735 1.00 0.00 C ATOM 217 CG TRP A 14 -5.391 -0.816 3.498 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.329 -0.826 4.471 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.109 -0.925 2.238 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.572 -0.969 3.891 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.488 -1.031 2.519 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.707 -0.951 0.891 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.422 -1.168 1.503 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.641 -1.088 -0.119 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.988 -1.202 0.182 1.00 0.00 C ATOM 0 H TRP A 14 -1.544 -0.284 3.694 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.738 1.074 2.548 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.402 -1.435 3.071 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.693 -1.051 4.756 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.137 -0.737 5.530 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.446 -1.022 4.414 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.659 -0.863 0.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.474 -1.247 1.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.318 -1.106 -1.149 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.707 -1.318 -0.615 1.00 0.00 H new ATOM 236 N GLU A 15 -3.369 1.372 5.806 1.00 0.00 N ATOM 237 CA GLU A 15 -3.800 2.127 6.972 1.00 0.00 C ATOM 238 C GLU A 15 -3.588 3.624 6.728 1.00 0.00 C ATOM 239 O GLU A 15 -4.433 4.446 7.089 1.00 0.00 O ATOM 240 CB GLU A 15 -3.030 1.615 8.191 1.00 0.00 C ATOM 241 CG GLU A 15 -3.416 0.141 8.443 1.00 0.00 C ATOM 242 CD GLU A 15 -2.459 -0.491 9.452 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.699 -0.345 10.640 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.501 -1.114 9.022 1.00 0.00 O ATOM 0 H GLU A 15 -2.612 0.712 5.986 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.865 1.987 7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.957 1.700 8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.264 2.221 9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.439 0.084 8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.387 -0.415 7.506 1.00 0.00 H new ATOM 251 N ILE A 16 -2.488 3.955 6.045 1.00 0.00 N ATOM 252 CA ILE A 16 -2.196 5.342 5.667 1.00 0.00 C ATOM 253 C ILE A 16 -3.187 5.756 4.574 1.00 0.00 C ATOM 254 O ILE A 16 -3.674 6.887 4.537 1.00 0.00 O ATOM 255 CB ILE A 16 -0.747 5.434 5.129 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.244 5.100 6.252 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.447 6.842 4.594 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.668 4.933 5.690 1.00 0.00 C ATOM 0 H ILE A 16 -1.784 3.281 5.742 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.293 6.003 6.529 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.641 4.720 4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.234 5.892 7.000 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.064 4.183 6.755 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.577 6.879 4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.136 7.078 3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.568 7.570 5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.355 4.697 6.503 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.678 4.124 4.959 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.980 5.860 5.209 1.00 0.00 H new ATOM 270 N PHE A 17 -3.473 4.792 3.701 1.00 0.00 N ATOM 271 CA PHE A 17 -4.407 4.959 2.587 1.00 0.00 C ATOM 272 C PHE A 17 -5.818 5.234 3.115 1.00 0.00 C ATOM 273 O PHE A 17 -6.590 5.984 2.516 1.00 0.00 O ATOM 274 CB PHE A 17 -4.423 3.645 1.795 1.00 0.00 C ATOM 275 CG PHE A 17 -4.693 3.858 0.329 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.640 4.168 -0.543 1.00 0.00 C ATOM 277 CD2 PHE A 17 -5.984 3.675 -0.166 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.883 4.291 -1.908 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.232 3.810 -1.529 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.180 4.112 -2.401 1.00 0.00 C ATOM 0 H PHE A 17 -3.058 3.861 3.747 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.096 5.797 1.962 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.464 3.141 1.915 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.185 2.984 2.209 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.642 4.311 -0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.791 3.429 0.508 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.073 4.524 -2.584 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.233 3.682 -1.912 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.370 4.207 -3.460 1.00 0.00 H new ATOM 290 N ASN A 18 -6.141 4.572 4.229 1.00 0.00 N ATOM 291 CA ASN A 18 -7.457 4.676 4.855 1.00 0.00 C ATOM 292 C ASN A 18 -7.547 5.829 5.858 1.00 0.00 C ATOM 293 O ASN A 18 -8.578 5.976 6.523 1.00 0.00 O ATOM 294 CB ASN A 18 -7.776 3.361 5.584 1.00 0.00 C ATOM 295 CG ASN A 18 -7.963 2.213 4.593 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.255 2.122 3.589 1.00 0.00 O ATOM 297 ND2 ASN A 18 -8.881 1.319 4.821 1.00 0.00 N ATOM 0 H ASN A 18 -5.498 3.951 4.720 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.176 4.873 4.060 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.969 3.120 6.276 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.681 3.482 6.180 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.013 0.546 4.169 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.469 1.392 5.652 1.00 0.00 H new ATOM 304 N LEU A 19 -6.496 6.647 5.986 1.00 0.00 N ATOM 305 CA LEU A 19 -6.554 7.752 6.939 1.00 0.00 C ATOM 306 C LEU A 19 -7.537 8.814 6.441 1.00 0.00 C ATOM 307 O LEU A 19 -7.561 9.121 5.248 1.00 0.00 O ATOM 308 CB LEU A 19 -5.174 8.371 7.170 1.00 0.00 C ATOM 309 CG LEU A 19 -4.521 7.748 8.415 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.149 8.347 8.592 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.333 8.061 9.671 1.00 0.00 C ATOM 0 H LEU A 19 -5.625 6.568 5.460 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.900 7.357 7.894 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.542 8.207 6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.267 9.449 7.299 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.472 6.668 8.276 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.674 7.914 9.472 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.543 8.135 7.711 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.237 9.426 8.721 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.851 7.609 10.538 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.389 9.141 9.808 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.339 7.656 9.564 1.00 0.00 H new ATOM 323 N PRO A 20 -8.372 9.348 7.309 1.00 0.00 N ATOM 324 CA PRO A 20 -9.406 10.354 6.937 1.00 0.00 C ATOM 325 C PRO A 20 -8.899 11.799 6.918 1.00 0.00 C ATOM 326 O PRO A 20 -9.721 12.721 6.934 1.00 0.00 O ATOM 327 CB PRO A 20 -10.468 10.192 8.051 1.00 0.00 C ATOM 328 CG PRO A 20 -9.960 9.126 8.969 1.00 0.00 C ATOM 329 CD PRO A 20 -8.460 9.081 8.746 1.00 0.00 C ATOM 0 HA PRO A 20 -9.765 10.181 5.923 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.613 11.129 8.588 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.434 9.913 7.629 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.196 9.357 10.008 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.419 8.163 8.745 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.935 9.832 9.336 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.035 8.113 9.010 1.00 0.00 H new ATOM 337 N ASN A 21 -7.574 12.026 6.913 1.00 0.00 N ATOM 338 CA ASN A 21 -7.094 13.420 6.935 1.00 0.00 C ATOM 339 C ASN A 21 -5.816 13.646 6.127 1.00 0.00 C ATOM 340 O ASN A 21 -5.318 14.771 6.074 1.00 0.00 O ATOM 341 CB ASN A 21 -6.871 13.851 8.389 1.00 0.00 C ATOM 342 CG ASN A 21 -8.207 14.074 9.092 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.971 14.960 8.709 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.535 13.323 10.106 1.00 0.00 N ATOM 0 H ASN A 21 -6.850 11.307 6.895 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.864 14.027 6.459 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.299 13.088 8.917 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.282 14.768 8.416 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.425 13.469 10.582 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.902 12.589 10.423 1.00 0.00 H new ATOM 351 N LEU A 22 -5.291 12.603 5.498 1.00 0.00 N ATOM 352 CA LEU A 22 -4.069 12.750 4.705 1.00 0.00 C ATOM 353 C LEU A 22 -4.372 13.181 3.282 1.00 0.00 C ATOM 354 O LEU A 22 -5.421 12.842 2.729 1.00 0.00 O ATOM 355 CB LEU A 22 -3.293 11.439 4.691 1.00 0.00 C ATOM 356 CG LEU A 22 -2.896 11.073 6.122 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.140 9.760 6.111 1.00 0.00 C ATOM 358 CD2 LEU A 22 -1.989 12.150 6.710 1.00 0.00 C ATOM 0 H LEU A 22 -5.680 11.660 5.517 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.465 13.529 5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.902 10.647 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.404 11.536 4.068 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.799 10.988 6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.855 9.496 7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.776 8.977 5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.244 9.861 5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.714 11.877 7.729 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.089 12.239 6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.516 13.104 6.720 1.00 0.00 H new ATOM 370 N ASN A 23 -3.431 13.922 2.691 1.00 0.00 N ATOM 371 CA ASN A 23 -3.588 14.393 1.323 1.00 0.00 C ATOM 372 C ASN A 23 -2.964 13.372 0.370 1.00 0.00 C ATOM 373 O ASN A 23 -2.121 12.572 0.780 1.00 0.00 O ATOM 374 CB ASN A 23 -2.959 15.796 1.171 1.00 0.00 C ATOM 375 CG ASN A 23 -1.525 15.726 0.651 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.315 15.556 -0.539 1.00 0.00 O ATOM 377 ND2 ASN A 23 -0.523 15.858 1.469 1.00 0.00 N ATOM 0 H ASN A 23 -2.560 14.204 3.140 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.645 14.488 1.073 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.564 16.392 0.488 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.971 16.305 2.135 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.433 15.819 1.115 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.693 16.000 2.465 1.00 0.00 H new ATOM 384 N GLY A 24 -3.400 13.391 -0.891 1.00 0.00 N ATOM 385 CA GLY A 24 -2.900 12.443 -1.891 1.00 0.00 C ATOM 386 C GLY A 24 -1.377 12.330 -1.867 1.00 0.00 C ATOM 387 O GLY A 24 -0.834 11.229 -1.924 1.00 0.00 O ATOM 0 H GLY A 24 -4.095 14.049 -1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.338 11.462 -1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.224 12.759 -2.883 1.00 0.00 H new ATOM 391 N VAL A 25 -0.698 13.470 -1.771 1.00 0.00 N ATOM 392 CA VAL A 25 0.762 13.492 -1.736 1.00 0.00 C ATOM 393 C VAL A 25 1.298 12.889 -0.450 1.00 0.00 C ATOM 394 O VAL A 25 2.240 12.106 -0.498 1.00 0.00 O ATOM 395 CB VAL A 25 1.283 14.922 -1.884 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.817 14.927 -1.824 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.820 15.472 -3.231 1.00 0.00 C ATOM 0 H VAL A 25 -1.135 14.390 -1.716 1.00 0.00 H new ATOM 0 HA VAL A 25 1.114 12.889 -2.573 1.00 0.00 H new ATOM 0 HB VAL A 25 0.898 15.542 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.182 15.949 -1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.145 14.522 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.215 14.314 -2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.184 16.492 -3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.214 14.849 -4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.269 15.468 -3.271 1.00 0.00 H new ATOM 407 N GLN A 26 0.716 13.251 0.701 1.00 0.00 N ATOM 408 CA GLN A 26 1.203 12.701 1.957 1.00 0.00 C ATOM 409 C GLN A 26 1.041 11.191 1.971 1.00 0.00 C ATOM 410 O GLN A 26 1.963 10.475 2.355 1.00 0.00 O ATOM 411 CB GLN A 26 0.491 13.343 3.147 1.00 0.00 C ATOM 412 CG GLN A 26 1.430 14.377 3.791 1.00 0.00 C ATOM 413 CD GLN A 26 0.620 15.468 4.461 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.169 15.145 5.429 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 0.704 16.636 4.087 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.066 13.901 0.782 1.00 0.00 H new ATOM 0 HA GLN A 26 2.265 12.931 2.045 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.431 13.823 2.820 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.213 12.581 3.875 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.074 13.889 4.523 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.082 14.811 3.032 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.331 16.882 3.321 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.147 17.359 4.543 1.00 0.00 H new ATOM 424 N VAL A 27 -0.109 10.706 1.503 1.00 0.00 N ATOM 425 CA VAL A 27 -0.338 9.263 1.439 1.00 0.00 C ATOM 426 C VAL A 27 0.693 8.641 0.501 1.00 0.00 C ATOM 427 O VAL A 27 1.311 7.624 0.823 1.00 0.00 O ATOM 428 CB VAL A 27 -1.761 8.961 0.942 1.00 0.00 C ATOM 429 CG1 VAL A 27 -1.964 7.443 0.867 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.788 9.555 1.916 1.00 0.00 C ATOM 0 H VAL A 27 -0.884 11.279 1.168 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.234 8.836 2.436 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.896 9.403 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.973 7.228 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.239 7.013 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.825 7.008 1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.795 9.338 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.650 9.115 2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.649 10.634 1.978 1.00 0.00 H new ATOM 440 N LYS A 28 0.895 9.298 -0.642 1.00 0.00 N ATOM 441 CA LYS A 28 1.878 8.859 -1.630 1.00 0.00 C ATOM 442 C LYS A 28 3.283 8.903 -1.038 1.00 0.00 C ATOM 443 O LYS A 28 4.120 8.070 -1.360 1.00 0.00 O ATOM 444 CB LYS A 28 1.806 9.751 -2.880 1.00 0.00 C ATOM 445 CG LYS A 28 0.591 9.368 -3.730 1.00 0.00 C ATOM 446 CD LYS A 28 0.413 10.393 -4.852 1.00 0.00 C ATOM 447 CE LYS A 28 -0.811 10.020 -5.682 1.00 0.00 C ATOM 448 NZ LYS A 28 -2.034 10.081 -4.831 1.00 0.00 N ATOM 0 H LYS A 28 0.386 10.142 -0.906 1.00 0.00 H new ATOM 0 HA LYS A 28 1.650 7.832 -1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.738 10.798 -2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.718 9.643 -3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.727 8.372 -4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.304 9.332 -3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.292 11.392 -4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.301 10.417 -5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.910 10.701 -6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.692 9.017 -6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.792 10.571 -5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.342 9.116 -4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.822 10.599 -3.955 1.00 0.00 H new ATOM 462 N ALA A 29 3.524 9.893 -0.179 1.00 0.00 N ATOM 463 CA ALA A 29 4.814 10.072 0.463 1.00 0.00 C ATOM 464 C ALA A 29 5.060 8.977 1.460 1.00 0.00 C ATOM 465 O ALA A 29 6.150 8.421 1.518 1.00 0.00 O ATOM 466 CB ALA A 29 4.856 11.403 1.191 1.00 0.00 C ATOM 0 H ALA A 29 2.828 10.589 0.087 1.00 0.00 H new ATOM 0 HA ALA A 29 5.582 10.045 -0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.828 11.526 1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.697 12.213 0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.074 11.428 1.949 1.00 0.00 H new ATOM 472 N PHE A 30 4.031 8.661 2.233 1.00 0.00 N ATOM 473 CA PHE A 30 4.137 7.618 3.203 1.00 0.00 C ATOM 474 C PHE A 30 4.368 6.326 2.451 1.00 0.00 C ATOM 475 O PHE A 30 5.191 5.507 2.851 1.00 0.00 O ATOM 476 CB PHE A 30 2.881 7.559 4.064 1.00 0.00 C ATOM 477 CG PHE A 30 2.721 8.855 4.848 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.800 9.373 5.592 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.496 9.545 4.833 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.646 10.562 6.300 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.355 10.732 5.545 1.00 0.00 C ATOM 482 CZ PHE A 30 2.427 11.238 6.274 1.00 0.00 C ATOM 0 H PHE A 30 3.121 9.120 2.196 1.00 0.00 H new ATOM 0 HA PHE A 30 4.968 7.799 3.884 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.007 7.396 3.434 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.941 6.715 4.751 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.744 8.849 5.613 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.663 9.153 4.268 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.472 10.961 6.870 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.413 11.261 5.532 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.314 12.161 6.823 1.00 0.00 H new ATOM 492 N ILE A 31 3.685 6.198 1.302 1.00 0.00 N ATOM 493 CA ILE A 31 3.873 5.041 0.445 1.00 0.00 C ATOM 494 C ILE A 31 5.304 5.043 -0.061 1.00 0.00 C ATOM 495 O ILE A 31 5.986 4.042 -0.023 1.00 0.00 O ATOM 496 CB ILE A 31 2.883 5.048 -0.748 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.499 4.556 -0.264 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.405 4.140 -1.892 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.467 4.623 -1.397 1.00 0.00 C ATOM 0 H ILE A 31 3.008 6.878 0.957 1.00 0.00 H new ATOM 0 HA ILE A 31 3.676 4.137 1.022 1.00 0.00 H new ATOM 0 HB ILE A 31 2.793 6.064 -1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.580 3.532 0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.164 5.167 0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.698 4.157 -2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.373 4.506 -2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.511 3.119 -1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.498 4.272 -1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.372 5.653 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.793 3.992 -2.224 1.00 0.00 H new ATOM 511 N ASP A 32 5.748 6.186 -0.528 1.00 0.00 N ATOM 512 CA ASP A 32 7.099 6.311 -1.050 1.00 0.00 C ATOM 513 C ASP A 32 8.140 6.024 0.025 1.00 0.00 C ATOM 514 O ASP A 32 9.155 5.376 -0.238 1.00 0.00 O ATOM 515 CB ASP A 32 7.284 7.713 -1.652 1.00 0.00 C ATOM 516 CG ASP A 32 6.443 7.880 -2.929 1.00 0.00 C ATOM 517 OD1 ASP A 32 6.121 6.881 -3.559 1.00 0.00 O ATOM 518 OD2 ASP A 32 6.124 9.013 -3.255 1.00 0.00 O ATOM 0 H ASP A 32 5.199 7.045 -0.560 1.00 0.00 H new ATOM 0 HA ASP A 32 7.246 5.568 -1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.995 8.468 -0.921 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.337 7.878 -1.881 1.00 0.00 H new ATOM 523 N SER A 33 7.857 6.472 1.234 1.00 0.00 N ATOM 524 CA SER A 33 8.742 6.230 2.369 1.00 0.00 C ATOM 525 C SER A 33 8.723 4.737 2.691 1.00 0.00 C ATOM 526 O SER A 33 9.747 4.134 2.996 1.00 0.00 O ATOM 527 CB SER A 33 8.270 7.048 3.565 1.00 0.00 C ATOM 528 OG SER A 33 8.294 8.429 3.230 1.00 0.00 O ATOM 0 H SER A 33 7.019 7.008 1.460 1.00 0.00 H new ATOM 0 HA SER A 33 9.762 6.532 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.261 6.749 3.849 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.913 6.860 4.425 1.00 0.00 H new ATOM 0 HG SER A 33 7.561 8.628 2.611 1.00 0.00 H new ATOM 534 N LEU A 34 7.530 4.162 2.556 1.00 0.00 N ATOM 535 CA LEU A 34 7.292 2.731 2.750 1.00 0.00 C ATOM 536 C LEU A 34 8.132 1.953 1.743 1.00 0.00 C ATOM 537 O LEU A 34 8.877 1.041 2.092 1.00 0.00 O ATOM 538 CB LEU A 34 5.801 2.490 2.481 1.00 0.00 C ATOM 539 CG LEU A 34 5.016 2.325 3.779 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.742 3.171 3.751 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.632 0.867 3.916 1.00 0.00 C ATOM 0 H LEU A 34 6.689 4.683 2.305 1.00 0.00 H new ATOM 0 HA LEU A 34 7.560 2.409 3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.393 3.326 1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.681 1.598 1.867 1.00 0.00 H new ATOM 0 HG LEU A 34 5.632 2.650 4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.197 3.039 4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.006 4.222 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.114 2.856 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.069 0.724 4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.017 0.571 3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.533 0.254 3.943 1.00 0.00 H new ATOM 553 N ARG A 35 8.000 2.364 0.493 1.00 0.00 N ATOM 554 CA ARG A 35 8.740 1.766 -0.620 1.00 0.00 C ATOM 555 C ARG A 35 10.246 1.884 -0.388 1.00 0.00 C ATOM 556 O ARG A 35 10.997 0.929 -0.598 1.00 0.00 O ATOM 557 CB ARG A 35 8.382 2.514 -1.908 1.00 0.00 C ATOM 558 CG ARG A 35 6.910 2.295 -2.243 1.00 0.00 C ATOM 559 CD ARG A 35 6.478 3.222 -3.381 1.00 0.00 C ATOM 560 NE ARG A 35 7.029 2.766 -4.642 1.00 0.00 N ATOM 561 CZ ARG A 35 6.558 1.691 -5.259 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.726 0.894 -4.645 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.916 1.445 -6.481 1.00 0.00 N ATOM 0 H ARG A 35 7.377 3.122 0.215 1.00 0.00 H new ATOM 0 HA ARG A 35 8.473 0.712 -0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.582 3.579 -1.788 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.007 2.162 -2.729 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.746 1.256 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.298 2.482 -1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.390 3.251 -3.442 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.813 4.239 -3.177 1.00 0.00 H new ATOM 0 HE ARG A 35 7.798 3.285 -5.065 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.437 1.098 -3.688 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.365 0.068 -5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.556 2.077 -6.962 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.557 0.620 -6.961 1.00 0.00 H new ATOM 577 N ASP A 36 10.666 3.071 0.052 1.00 0.00 N ATOM 578 CA ASP A 36 12.073 3.349 0.327 1.00 0.00 C ATOM 579 C ASP A 36 12.548 2.561 1.540 1.00 0.00 C ATOM 580 O ASP A 36 13.670 2.052 1.567 1.00 0.00 O ATOM 581 CB ASP A 36 12.256 4.840 0.579 1.00 0.00 C ATOM 582 CG ASP A 36 13.743 5.182 0.687 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.358 5.398 -0.344 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.244 5.219 1.800 1.00 0.00 O ATOM 0 H ASP A 36 10.044 3.860 0.226 1.00 0.00 H new ATOM 0 HA ASP A 36 12.666 3.047 -0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.803 5.411 -0.231 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.743 5.126 1.497 1.00 0.00 H new ATOM 589 N ASP A 37 11.673 2.476 2.536 1.00 0.00 N ATOM 590 CA ASP A 37 11.971 1.760 3.768 1.00 0.00 C ATOM 591 C ASP A 37 10.723 1.053 4.274 1.00 0.00 C ATOM 592 O ASP A 37 9.894 1.643 4.975 1.00 0.00 O ATOM 593 CB ASP A 37 12.511 2.729 4.834 1.00 0.00 C ATOM 594 CG ASP A 37 13.179 1.960 5.985 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.649 0.933 6.390 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.208 2.418 6.452 1.00 0.00 O ATOM 0 H ASP A 37 10.745 2.898 2.512 1.00 0.00 H new ATOM 0 HA ASP A 37 12.738 1.013 3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.231 3.411 4.381 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.696 3.339 5.223 1.00 0.00 H new ATOM 601 N PRO A 38 10.573 -0.197 3.919 1.00 0.00 N ATOM 602 CA PRO A 38 9.401 -1.005 4.328 1.00 0.00 C ATOM 603 C PRO A 38 9.399 -1.338 5.814 1.00 0.00 C ATOM 604 O PRO A 38 8.341 -1.442 6.431 1.00 0.00 O ATOM 605 CB PRO A 38 9.483 -2.266 3.478 1.00 0.00 C ATOM 606 CG PRO A 38 10.684 -2.149 2.594 1.00 0.00 C ATOM 607 CD PRO A 38 11.509 -0.973 3.090 1.00 0.00 C ATOM 0 HA PRO A 38 8.473 -0.454 4.172 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.561 -3.149 4.112 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.579 -2.382 2.880 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.271 -3.067 2.622 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.383 -1.995 1.558 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.370 -1.307 3.669 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.893 -0.379 2.261 1.00 0.00 H new ATOM 615 N SER A 39 10.587 -1.487 6.388 1.00 0.00 N ATOM 616 CA SER A 39 10.700 -1.776 7.813 1.00 0.00 C ATOM 617 C SER A 39 10.134 -0.596 8.594 1.00 0.00 C ATOM 618 O SER A 39 9.605 -0.747 9.696 1.00 0.00 O ATOM 619 CB SER A 39 12.166 -2.005 8.195 1.00 0.00 C ATOM 620 OG SER A 39 12.241 -2.465 9.540 1.00 0.00 O ATOM 0 H SER A 39 11.477 -1.414 5.895 1.00 0.00 H new ATOM 0 HA SER A 39 10.141 -2.681 8.050 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.618 -2.736 7.524 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.730 -1.079 8.084 1.00 0.00 H new ATOM 0 HG SER A 39 13.179 -2.613 9.783 1.00 0.00 H new ATOM 626 N GLN A 40 10.261 0.581 7.981 1.00 0.00 N ATOM 627 CA GLN A 40 9.782 1.827 8.559 1.00 0.00 C ATOM 628 C GLN A 40 8.287 2.032 8.266 1.00 0.00 C ATOM 629 O GLN A 40 7.711 3.028 8.664 1.00 0.00 O ATOM 630 CB GLN A 40 10.603 2.983 7.960 1.00 0.00 C ATOM 631 CG GLN A 40 10.442 4.270 8.781 1.00 0.00 C ATOM 632 CD GLN A 40 11.301 5.397 8.200 1.00 0.00 C ATOM 633 OE1 GLN A 40 12.178 5.140 7.263 1.00 0.00 O flip ATOM 634 NE2 GLN A 40 11.170 6.548 8.616 1.00 0.00 N flip ATOM 0 H GLN A 40 10.701 0.693 7.067 1.00 0.00 H new ATOM 0 HA GLN A 40 9.904 1.796 9.642 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.656 2.703 7.923 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.285 3.163 6.933 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.395 4.572 8.790 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.729 4.085 9.816 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.488 6.752 9.346 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.744 7.298 8.231 1.00 0.00 H new ATOM 643 N SER A 41 7.665 1.095 7.554 1.00 0.00 N ATOM 644 CA SER A 41 6.248 1.222 7.185 1.00 0.00 C ATOM 645 C SER A 41 5.358 1.575 8.380 1.00 0.00 C ATOM 646 O SER A 41 4.416 2.359 8.246 1.00 0.00 O ATOM 647 CB SER A 41 5.769 -0.113 6.616 1.00 0.00 C ATOM 648 OG SER A 41 5.846 -1.115 7.622 1.00 0.00 O ATOM 0 H SER A 41 8.113 0.242 7.220 1.00 0.00 H new ATOM 0 HA SER A 41 6.171 2.029 6.456 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.744 -0.020 6.258 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.381 -0.395 5.759 1.00 0.00 H new ATOM 0 HG SER A 41 6.712 -1.570 7.565 1.00 0.00 H new ATOM 654 N ALA A 42 5.671 1.011 9.537 1.00 0.00 N ATOM 655 CA ALA A 42 4.912 1.277 10.753 1.00 0.00 C ATOM 656 C ALA A 42 5.093 2.723 11.172 1.00 0.00 C ATOM 657 O ALA A 42 4.170 3.377 11.655 1.00 0.00 O ATOM 658 CB ALA A 42 5.442 0.393 11.868 1.00 0.00 C ATOM 0 H ALA A 42 6.449 0.363 9.661 1.00 0.00 H new ATOM 0 HA ALA A 42 3.857 1.075 10.565 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.880 0.585 12.782 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.330 -0.654 11.586 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.496 0.613 12.037 1.00 0.00 H new ATOM 664 N ASN A 43 6.315 3.188 10.983 1.00 0.00 N ATOM 665 CA ASN A 43 6.706 4.534 11.325 1.00 0.00 C ATOM 666 C ASN A 43 6.036 5.549 10.412 1.00 0.00 C ATOM 667 O ASN A 43 5.698 6.653 10.819 1.00 0.00 O ATOM 668 CB ASN A 43 8.218 4.625 11.174 1.00 0.00 C ATOM 669 CG ASN A 43 8.912 4.407 12.516 1.00 0.00 C ATOM 670 OD1 ASN A 43 8.535 3.516 13.278 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.917 5.167 12.848 1.00 0.00 N ATOM 0 H ASN A 43 7.069 2.630 10.582 1.00 0.00 H new ATOM 0 HA ASN A 43 6.399 4.758 12.346 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.562 3.880 10.457 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.490 5.602 10.774 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.392 5.024 13.739 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.229 5.905 12.217 1.00 0.00 H new ATOM 678 N LEU A 44 5.867 5.144 9.172 1.00 0.00 N ATOM 679 CA LEU A 44 5.257 5.965 8.141 1.00 0.00 C ATOM 680 C LEU A 44 3.794 6.028 8.389 1.00 0.00 C ATOM 681 O LEU A 44 3.166 7.071 8.276 1.00 0.00 O ATOM 682 CB LEU A 44 5.602 5.324 6.811 1.00 0.00 C ATOM 683 CG LEU A 44 7.125 5.242 6.790 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.617 4.315 5.702 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.668 6.640 6.629 1.00 0.00 C ATOM 0 H LEU A 44 6.153 4.222 8.844 1.00 0.00 H new ATOM 0 HA LEU A 44 5.623 6.992 8.141 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.153 4.335 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.228 5.919 5.978 1.00 0.00 H new ATOM 0 HG LEU A 44 7.486 4.818 7.727 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.706 4.282 5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.221 3.314 5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.279 4.680 4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.757 6.607 6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.302 7.067 5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.337 7.257 7.464 1.00 0.00 H new ATOM 697 N LEU A 45 3.300 4.897 8.820 1.00 0.00 N ATOM 698 CA LEU A 45 1.919 4.772 9.218 1.00 0.00 C ATOM 699 C LEU A 45 1.720 5.673 10.428 1.00 0.00 C ATOM 700 O LEU A 45 0.703 6.346 10.572 1.00 0.00 O ATOM 701 CB LEU A 45 1.619 3.306 9.549 1.00 0.00 C ATOM 702 CG LEU A 45 0.330 3.175 10.367 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.851 3.789 9.606 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.071 1.691 10.632 1.00 0.00 C ATOM 0 H LEU A 45 3.841 4.037 8.906 1.00 0.00 H new ATOM 0 HA LEU A 45 1.237 5.072 8.423 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.527 2.734 8.626 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.452 2.879 10.107 1.00 0.00 H new ATOM 0 HG LEU A 45 0.438 3.709 11.311 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.759 3.688 10.200 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.655 4.845 9.420 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.980 3.271 8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.844 1.580 11.214 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.036 1.165 9.683 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.908 1.269 11.188 1.00 0.00 H new ATOM 716 N ALA A 46 2.747 5.696 11.266 1.00 0.00 N ATOM 717 CA ALA A 46 2.756 6.525 12.456 1.00 0.00 C ATOM 718 C ALA A 46 2.743 7.983 12.062 1.00 0.00 C ATOM 719 O ALA A 46 1.972 8.786 12.586 1.00 0.00 O ATOM 720 CB ALA A 46 4.027 6.263 13.259 1.00 0.00 C ATOM 0 H ALA A 46 3.593 5.141 11.138 1.00 0.00 H new ATOM 0 HA ALA A 46 1.876 6.286 13.053 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.029 6.888 14.152 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.063 5.213 13.551 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.898 6.500 12.649 1.00 0.00 H new ATOM 726 N GLU A 47 3.601 8.289 11.102 1.00 0.00 N ATOM 727 CA GLU A 47 3.724 9.619 10.570 1.00 0.00 C ATOM 728 C GLU A 47 2.421 10.031 9.947 1.00 0.00 C ATOM 729 O GLU A 47 1.997 11.170 10.052 1.00 0.00 O ATOM 730 CB GLU A 47 4.787 9.611 9.484 1.00 0.00 C ATOM 731 CG GLU A 47 6.197 9.694 10.058 1.00 0.00 C ATOM 732 CD GLU A 47 6.331 10.862 11.042 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.018 11.979 10.660 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.737 10.619 12.167 1.00 0.00 O ATOM 0 H GLU A 47 4.231 7.611 10.674 1.00 0.00 H new ATOM 0 HA GLU A 47 3.991 10.310 11.370 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.691 8.702 8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.621 10.451 8.809 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.441 8.760 10.564 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.915 9.815 9.247 1.00 0.00 H new ATOM 741 N ALA A 48 1.797 9.073 9.294 1.00 0.00 N ATOM 742 CA ALA A 48 0.547 9.305 8.641 1.00 0.00 C ATOM 743 C ALA A 48 -0.512 9.604 9.670 1.00 0.00 C ATOM 744 O ALA A 48 -1.218 10.591 9.554 1.00 0.00 O ATOM 745 CB ALA A 48 0.192 8.065 7.851 1.00 0.00 C ATOM 0 H ALA A 48 2.148 8.119 9.207 1.00 0.00 H new ATOM 0 HA ALA A 48 0.616 10.159 7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.760 8.218 7.343 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.970 7.868 7.113 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.110 7.214 8.527 1.00 0.00 H new ATOM 751 N LYS A 49 -0.575 8.769 10.705 1.00 0.00 N ATOM 752 CA LYS A 49 -1.521 8.984 11.789 1.00 0.00 C ATOM 753 C LYS A 49 -1.248 10.343 12.403 1.00 0.00 C ATOM 754 O LYS A 49 -2.164 11.023 12.844 1.00 0.00 O ATOM 755 CB LYS A 49 -1.377 7.885 12.854 1.00 0.00 C ATOM 756 CG LYS A 49 -1.806 6.526 12.278 1.00 0.00 C ATOM 757 CD LYS A 49 -3.335 6.392 12.324 1.00 0.00 C ATOM 758 CE LYS A 49 -3.764 5.124 11.578 1.00 0.00 C ATOM 759 NZ LYS A 49 -5.250 5.011 11.604 1.00 0.00 N ATOM 0 H LYS A 49 0.015 7.944 10.813 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.539 8.947 11.401 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.343 7.833 13.196 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.988 8.129 13.723 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.456 6.431 11.250 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.345 5.719 12.848 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.675 6.350 13.359 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.800 7.267 11.871 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.409 5.158 10.548 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.314 4.246 12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.527 4.030 11.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.602 5.280 12.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.659 5.644 10.887 1.00 0.00 H new ATOM 773 N LYS A 50 0.027 10.743 12.389 1.00 0.00 N ATOM 774 CA LYS A 50 0.411 12.031 12.920 1.00 0.00 C ATOM 775 C LYS A 50 -0.027 13.137 11.984 1.00 0.00 C ATOM 776 O LYS A 50 -0.509 14.181 12.423 1.00 0.00 O ATOM 777 CB LYS A 50 1.927 12.080 13.155 1.00 0.00 C ATOM 778 CG LYS A 50 2.272 11.352 14.461 1.00 0.00 C ATOM 779 CD LYS A 50 3.791 11.393 14.703 1.00 0.00 C ATOM 780 CE LYS A 50 4.394 10.008 14.456 1.00 0.00 C ATOM 781 NZ LYS A 50 5.848 10.033 14.782 1.00 0.00 N ATOM 0 H LYS A 50 0.798 10.189 12.016 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.087 12.179 13.878 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.449 11.615 12.319 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.264 13.115 13.205 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.750 11.819 15.296 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.932 10.318 14.411 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.254 12.125 14.041 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.997 11.712 15.725 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.886 9.264 15.069 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.249 9.717 13.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.136 9.107 15.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.393 10.242 13.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.031 10.767 15.495 1.00 0.00 H new ATOM 795 N LEU A 51 0.128 12.888 10.691 1.00 0.00 N ATOM 796 CA LEU A 51 -0.272 13.855 9.687 1.00 0.00 C ATOM 797 C LEU A 51 -1.786 13.948 9.640 1.00 0.00 C ATOM 798 O LEU A 51 -2.350 15.035 9.544 1.00 0.00 O ATOM 799 CB LEU A 51 0.281 13.476 8.308 1.00 0.00 C ATOM 800 CG LEU A 51 1.614 14.190 8.034 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.468 15.704 8.243 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.711 13.634 8.955 1.00 0.00 C ATOM 0 H LEU A 51 0.527 12.027 10.317 1.00 0.00 H new ATOM 0 HA LEU A 51 0.140 14.827 9.958 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.425 12.397 8.254 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.443 13.740 7.537 1.00 0.00 H new ATOM 0 HG LEU A 51 1.896 14.009 6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.422 16.192 8.044 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.712 16.094 7.562 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.166 15.902 9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.651 14.147 8.752 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.428 13.793 9.995 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.833 12.567 8.772 1.00 0.00 H new ATOM 814 N ASN A 52 -2.429 12.788 9.730 1.00 0.00 N ATOM 815 CA ASN A 52 -3.868 12.702 9.724 1.00 0.00 C ATOM 816 C ASN A 52 -4.400 13.428 10.948 1.00 0.00 C ATOM 817 O ASN A 52 -5.330 14.227 10.860 1.00 0.00 O ATOM 818 CB ASN A 52 -4.269 11.217 9.746 1.00 0.00 C ATOM 819 CG ASN A 52 -5.238 10.901 10.874 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.495 11.082 10.677 1.00 0.00 O flip ATOM 821 ND2 ASN A 52 -4.830 10.470 11.950 1.00 0.00 N flip ATOM 0 H ASN A 52 -1.958 11.886 9.809 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.288 13.165 8.831 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.725 10.951 8.792 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.375 10.603 9.854 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.830 10.330 12.097 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.491 10.253 12.696 1.00 0.00 H new ATOM 828 N ASP A 53 -3.772 13.139 12.088 1.00 0.00 N ATOM 829 CA ASP A 53 -4.159 13.770 13.339 1.00 0.00 C ATOM 830 C ASP A 53 -3.932 15.273 13.256 1.00 0.00 C ATOM 831 O ASP A 53 -4.758 16.067 13.707 1.00 0.00 O ATOM 832 CB ASP A 53 -3.366 13.191 14.522 1.00 0.00 C ATOM 833 CG ASP A 53 -3.828 11.768 14.878 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.955 11.416 14.562 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.044 11.052 15.480 1.00 0.00 O ATOM 0 H ASP A 53 -3.000 12.477 12.166 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.217 13.569 13.505 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.304 13.177 14.276 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.484 13.839 15.390 1.00 0.00 H new ATOM 840 N ALA A 54 -2.805 15.650 12.655 1.00 0.00 N ATOM 841 CA ALA A 54 -2.460 17.050 12.485 1.00 0.00 C ATOM 842 C ALA A 54 -3.463 17.721 11.552 1.00 0.00 C ATOM 843 O ALA A 54 -3.854 18.871 11.763 1.00 0.00 O ATOM 844 CB ALA A 54 -1.051 17.162 11.899 1.00 0.00 C ATOM 0 H ALA A 54 -2.116 14.999 12.278 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.488 17.548 13.454 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.792 18.213 11.772 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.337 16.692 12.576 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.018 16.660 10.932 1.00 0.00 H new ATOM 850 N GLN A 55 -3.877 16.976 10.525 1.00 0.00 N ATOM 851 CA GLN A 55 -4.841 17.471 9.549 1.00 0.00 C ATOM 852 C GLN A 55 -6.279 17.225 10.015 1.00 0.00 C ATOM 853 O GLN A 55 -7.233 17.580 9.319 1.00 0.00 O ATOM 854 CB GLN A 55 -4.591 16.769 8.214 1.00 0.00 C ATOM 855 CG GLN A 55 -3.306 17.318 7.582 1.00 0.00 C ATOM 856 CD GLN A 55 -2.887 16.437 6.415 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.539 15.205 6.645 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -2.878 16.877 5.265 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.556 16.024 10.350 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.713 18.548 9.436 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.503 15.693 8.367 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.436 16.928 7.543 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.467 18.340 7.238 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.510 17.354 8.326 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.151 17.843 5.087 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.597 16.275 4.491 1.00 0.00 H new ATOM 867 N ALA A 56 -6.425 16.620 11.199 1.00 0.00 N ATOM 868 CA ALA A 56 -7.748 16.337 11.754 1.00 0.00 C ATOM 869 C ALA A 56 -8.448 17.630 12.145 1.00 0.00 C ATOM 870 O ALA A 56 -7.797 18.586 12.569 1.00 0.00 O ATOM 871 CB ALA A 56 -7.628 15.420 12.976 1.00 0.00 C ATOM 0 H ALA A 56 -5.647 16.320 11.786 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.340 15.833 10.990 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.621 15.218 13.378 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.158 14.482 12.682 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.020 15.907 13.738 1.00 0.00 H new ATOM 981 N PHE B 5 -10.162 -11.687 1.665 1.00 0.00 N ATOM 982 CA PHE B 5 -8.880 -11.236 1.170 1.00 0.00 C ATOM 983 C PHE B 5 -8.308 -10.101 2.001 1.00 0.00 C ATOM 984 O PHE B 5 -7.300 -9.545 1.631 1.00 0.00 O ATOM 985 CB PHE B 5 -9.028 -10.796 -0.289 1.00 0.00 C ATOM 986 CG PHE B 5 -9.156 -12.028 -1.143 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.314 -12.806 -1.063 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.108 -12.411 -1.986 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.427 -13.967 -1.832 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.217 -13.574 -2.749 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.376 -14.352 -2.674 1.00 0.00 C ATOM 0 HA PHE B 5 -8.181 -12.069 1.243 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -9.905 -10.160 -0.407 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.164 -10.208 -0.598 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.120 -12.510 -0.408 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.215 -11.807 -2.046 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.323 -14.567 -1.777 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.406 -13.873 -3.397 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.461 -15.251 -3.266 1.00 0.00 H new ATOM 1001 N ASN B 6 -8.922 -9.764 3.132 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.367 -8.696 3.974 1.00 0.00 C ATOM 1003 C ASN B 6 -6.913 -9.041 4.288 1.00 0.00 C ATOM 1004 O ASN B 6 -6.037 -8.184 4.234 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.180 -8.553 5.268 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.882 -7.216 5.957 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -7.819 -6.530 5.630 1.00 0.00 O flip ATOM 1008 ND2 ASN B 6 -9.643 -6.784 6.821 1.00 0.00 N flip ATOM 0 H ASN B 6 -9.777 -10.196 3.483 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.417 -7.743 3.447 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.244 -8.621 5.043 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -8.944 -9.375 5.943 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -10.474 -7.315 7.080 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -9.443 -5.894 7.278 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.675 -10.324 4.555 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.332 -10.829 4.815 1.00 0.00 C ATOM 1017 C LYS B 7 -4.507 -10.811 3.524 1.00 0.00 C ATOM 1018 O LYS B 7 -3.365 -10.349 3.503 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.439 -12.272 5.338 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.045 -12.888 5.531 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.185 -14.372 5.897 1.00 0.00 C ATOM 1022 CE LYS B 7 -2.807 -15.042 5.891 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.355 -15.239 4.482 1.00 0.00 N ATOM 0 H LYS B 7 -7.403 -11.037 4.597 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.840 -10.198 5.556 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -5.980 -12.281 6.284 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.014 -12.876 4.636 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.460 -12.782 4.618 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.508 -12.358 6.317 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -4.643 -14.471 6.881 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.845 -14.870 5.187 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -2.089 -14.426 6.432 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -2.855 -16.001 6.406 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -2.077 -16.231 4.342 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -3.132 -15.002 3.832 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.541 -14.621 4.289 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.113 -11.348 2.464 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.479 -11.451 1.146 1.00 0.00 C ATOM 1039 C GLU B 8 -4.204 -10.078 0.525 1.00 0.00 C ATOM 1040 O GLU B 8 -3.218 -9.889 -0.193 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.420 -12.233 0.209 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.733 -13.627 0.784 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.450 -14.346 1.213 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.612 -14.588 0.359 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.328 -14.646 2.391 1.00 0.00 O ATOM 0 H GLU B 8 -6.060 -11.725 2.494 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.523 -11.959 1.273 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.347 -11.676 0.070 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.959 -12.335 -0.773 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.402 -13.530 1.639 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.256 -14.224 0.036 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.113 -9.148 0.778 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.046 -7.803 0.236 1.00 0.00 C ATOM 1054 C ARG B 9 -3.801 -7.055 0.706 1.00 0.00 C ATOM 1055 O ARG B 9 -3.123 -6.424 -0.100 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.296 -7.022 0.664 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.207 -5.576 0.158 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.544 -4.865 0.374 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.783 -4.651 1.799 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.011 -4.470 2.273 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.865 -3.745 1.608 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.359 -5.018 3.401 1.00 0.00 N ATOM 0 H ARG B 9 -5.926 -9.310 1.372 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.995 -7.885 -0.850 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.190 -7.502 0.265 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.387 -7.031 1.750 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.414 -5.045 0.685 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -5.948 -5.567 -0.901 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.543 -3.908 -0.149 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.352 -5.460 -0.051 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.992 -4.640 2.443 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.591 -3.317 0.724 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.808 -3.606 1.971 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.689 -5.586 3.920 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -10.301 -4.880 3.766 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.510 -7.114 2.012 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.348 -6.401 2.541 1.00 0.00 C ATOM 1078 C VAL B 10 -1.070 -6.930 1.904 1.00 0.00 C ATOM 1079 O VAL B 10 -0.164 -6.161 1.620 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.282 -6.385 4.100 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -3.632 -6.766 4.742 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -1.189 -7.309 4.633 1.00 0.00 C ATOM 0 H VAL B 10 -4.049 -7.635 2.704 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.458 -5.353 2.263 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.042 -5.359 4.378 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -3.538 -6.741 5.828 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -4.397 -6.057 4.428 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -3.915 -7.770 4.425 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -1.177 -7.268 5.722 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -1.387 -8.331 4.310 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -0.221 -6.988 4.247 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.001 -8.237 1.663 1.00 0.00 N ATOM 1093 CA ILE B 11 0.190 -8.809 1.037 1.00 0.00 C ATOM 1094 C ILE B 11 0.389 -8.192 -0.351 1.00 0.00 C ATOM 1095 O ILE B 11 1.515 -7.876 -0.736 1.00 0.00 O ATOM 1096 CB ILE B 11 0.073 -10.334 0.919 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.327 -10.928 2.286 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.434 -10.905 0.483 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.280 -12.329 2.476 1.00 0.00 C ATOM 0 H ILE B 11 -1.737 -8.908 1.885 1.00 0.00 H new ATOM 0 HA ILE B 11 1.052 -8.582 1.665 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.688 -10.592 0.182 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.011 -10.269 3.086 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.413 -10.985 2.358 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.363 -11.989 0.396 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.714 -10.481 -0.481 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.190 -10.650 1.225 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.017 -12.726 3.447 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.079 -12.991 1.688 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.367 -12.264 2.428 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.718 -7.999 -1.088 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.665 -7.403 -2.401 1.00 0.00 C ATOM 1113 C ALA B 12 -0.212 -5.982 -2.291 1.00 0.00 C ATOM 1114 O ALA B 12 0.682 -5.580 -3.015 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.045 -7.451 -3.048 1.00 0.00 C ATOM 0 H ALA B 12 -1.657 -8.254 -0.780 1.00 0.00 H new ATOM 0 HA ALA B 12 0.040 -7.961 -3.018 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -1.998 -6.999 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.369 -8.488 -3.137 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -2.755 -6.900 -2.431 1.00 0.00 H new ATOM 1121 N ILE B 13 -0.799 -5.247 -1.346 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.408 -3.865 -1.129 1.00 0.00 C ATOM 1123 C ILE B 13 1.075 -3.878 -0.851 1.00 0.00 C ATOM 1124 O ILE B 13 1.826 -3.131 -1.444 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.201 -3.283 0.059 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.682 -3.338 -0.284 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -0.832 -1.821 0.311 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.536 -3.069 0.946 1.00 0.00 C ATOM 0 H ILE B 13 -1.537 -5.585 -0.729 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.623 -3.238 -1.995 1.00 0.00 H new ATOM 0 HB ILE B 13 -0.967 -3.865 0.950 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -2.908 -2.602 -1.056 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -2.928 -4.317 -0.695 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.408 -1.441 1.154 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.232 -1.748 0.536 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.056 -1.231 -0.577 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.590 -3.114 0.674 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.325 -3.821 1.707 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.305 -2.079 1.340 1.00 0.00 H new ATOM 1140 N GLY B 14 1.486 -4.805 -0.006 1.00 0.00 N ATOM 1141 CA GLY B 14 2.894 -4.978 0.306 1.00 0.00 C ATOM 1142 C GLY B 14 3.701 -5.223 -0.960 1.00 0.00 C ATOM 1143 O GLY B 14 4.768 -4.656 -1.134 1.00 0.00 O ATOM 0 H GLY B 14 0.864 -5.452 0.478 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.270 -4.091 0.816 1.00 0.00 H new ATOM 0 HA3 GLY B 14 3.019 -5.817 0.991 1.00 0.00 H new ATOM 1147 N GLU B 15 3.173 -6.062 -1.848 1.00 0.00 N ATOM 1148 CA GLU B 15 3.856 -6.377 -3.090 1.00 0.00 C ATOM 1149 C GLU B 15 3.969 -5.133 -3.942 1.00 0.00 C ATOM 1150 O GLU B 15 5.028 -4.871 -4.497 1.00 0.00 O ATOM 1151 CB GLU B 15 3.076 -7.439 -3.855 1.00 0.00 C ATOM 1152 CG GLU B 15 3.999 -8.297 -4.735 1.00 0.00 C ATOM 1153 CD GLU B 15 3.586 -9.769 -4.647 1.00 0.00 C ATOM 1154 OE1 GLU B 15 2.459 -10.075 -5.009 1.00 0.00 O ATOM 1155 OE2 GLU B 15 4.402 -10.571 -4.225 1.00 0.00 O ATOM 0 H GLU B 15 2.276 -6.533 -1.727 1.00 0.00 H new ATOM 0 HA GLU B 15 4.853 -6.753 -2.859 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.546 -8.080 -3.150 1.00 0.00 H new ATOM 0 HB3 GLU B 15 2.322 -6.959 -4.478 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.948 -7.958 -5.770 1.00 0.00 H new ATOM 0 HG3 GLU B 15 5.034 -8.181 -4.412 1.00 0.00 H new ATOM 1162 N ILE B 16 2.880 -4.352 -4.043 1.00 0.00 N ATOM 1163 CA ILE B 16 2.961 -3.133 -4.870 1.00 0.00 C ATOM 1164 C ILE B 16 4.099 -2.269 -4.336 1.00 0.00 C ATOM 1165 O ILE B 16 4.957 -1.797 -5.083 1.00 0.00 O ATOM 1166 CB ILE B 16 1.689 -2.236 -4.826 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.398 -3.011 -4.550 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.535 -1.506 -6.157 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.020 -3.818 -5.776 1.00 0.00 C ATOM 0 H ILE B 16 1.982 -4.525 -3.592 1.00 0.00 H new ATOM 0 HA ILE B 16 3.098 -3.478 -5.895 1.00 0.00 H new ATOM 0 HB ILE B 16 1.835 -1.542 -3.998 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.544 -3.679 -3.701 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.397 -2.317 -4.277 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.645 -0.878 -6.127 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.412 -0.884 -6.334 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.438 -2.234 -6.962 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -0.940 -4.361 -5.558 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.187 -3.144 -6.616 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.768 -4.527 -6.031 1.00 0.00 H new ATOM 1181 N MET B 17 4.073 -2.088 -3.027 1.00 0.00 N ATOM 1182 CA MET B 17 5.066 -1.304 -2.312 1.00 0.00 C ATOM 1183 C MET B 17 6.462 -1.923 -2.475 1.00 0.00 C ATOM 1184 O MET B 17 7.457 -1.200 -2.556 1.00 0.00 O ATOM 1185 CB MET B 17 4.632 -1.220 -0.858 1.00 0.00 C ATOM 1186 CG MET B 17 3.188 -0.694 -0.808 1.00 0.00 C ATOM 1187 SD MET B 17 3.152 1.020 -1.320 1.00 0.00 S ATOM 1188 CE MET B 17 3.979 1.635 0.141 1.00 0.00 C ATOM 0 H MET B 17 3.353 -2.486 -2.423 1.00 0.00 H new ATOM 0 HA MET B 17 5.134 -0.295 -2.720 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.694 -2.201 -0.387 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.296 -0.557 -0.303 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.550 -1.292 -1.460 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.791 -0.790 0.202 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.316 2.315 0.675 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.241 0.799 0.790 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.885 2.166 -0.150 1.00 0.00 H new ATOM 1198 N ARG B 18 6.522 -3.263 -2.570 1.00 0.00 N ATOM 1199 CA ARG B 18 7.794 -3.962 -2.778 1.00 0.00 C ATOM 1200 C ARG B 18 8.350 -3.644 -4.161 1.00 0.00 C ATOM 1201 O ARG B 18 9.556 -3.455 -4.326 1.00 0.00 O ATOM 1202 CB ARG B 18 7.610 -5.474 -2.680 1.00 0.00 C ATOM 1203 CG ARG B 18 7.430 -5.924 -1.229 1.00 0.00 C ATOM 1204 CD ARG B 18 8.780 -6.038 -0.529 1.00 0.00 C ATOM 1205 NE ARG B 18 9.591 -7.083 -1.149 1.00 0.00 N ATOM 1206 CZ ARG B 18 10.874 -6.886 -1.427 1.00 0.00 C ATOM 1207 NH1 ARG B 18 11.773 -7.041 -0.496 1.00 0.00 N ATOM 1208 NH2 ARG B 18 11.233 -6.535 -2.629 1.00 0.00 N ATOM 0 H ARG B 18 5.709 -3.876 -2.506 1.00 0.00 H new ATOM 0 HA ARG B 18 8.483 -3.625 -2.003 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.741 -5.775 -3.266 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.475 -5.976 -3.113 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.798 -5.212 -0.698 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.918 -6.886 -1.202 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.305 -5.084 -0.580 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.631 -6.264 0.527 1.00 0.00 H new ATOM 0 HE ARG B 18 9.163 -7.981 -1.373 1.00 0.00 H new ATOM 0 HH11 ARG B 18 11.490 -7.314 0.445 1.00 0.00 H new ATOM 0 HH12 ARG B 18 12.759 -6.890 -0.709 1.00 0.00 H new ATOM 0 HH21 ARG B 18 10.528 -6.412 -3.356 1.00 0.00 H new ATOM 0 HH22 ARG B 18 12.219 -6.383 -2.843 1.00 0.00 H new ATOM 1222 N LEU B 19 7.448 -3.600 -5.149 1.00 0.00 N ATOM 1223 CA LEU B 19 7.830 -3.321 -6.531 1.00 0.00 C ATOM 1224 C LEU B 19 8.496 -1.956 -6.631 1.00 0.00 C ATOM 1225 O LEU B 19 7.841 -0.935 -6.434 1.00 0.00 O ATOM 1226 CB LEU B 19 6.595 -3.338 -7.441 1.00 0.00 C ATOM 1227 CG LEU B 19 5.935 -4.720 -7.477 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.602 -4.622 -8.210 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.820 -5.707 -8.210 1.00 0.00 C ATOM 0 H LEU B 19 6.449 -3.755 -5.013 1.00 0.00 H new ATOM 0 HA LEU B 19 8.529 -4.094 -6.850 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.874 -2.600 -7.090 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.883 -3.046 -8.451 1.00 0.00 H new ATOM 0 HG LEU B 19 5.782 -5.062 -6.454 1.00 0.00 H new ATOM 0 HD11 LEU B 19 4.129 -5.604 -8.238 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.951 -3.920 -7.689 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.772 -4.272 -9.228 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.338 -6.685 -8.228 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.980 -5.363 -9.232 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.780 -5.785 -7.699 1.00 0.00 H new ATOM 1241 N PRO B 20 9.775 -1.914 -6.925 1.00 0.00 N ATOM 1242 CA PRO B 20 10.530 -0.640 -7.044 1.00 0.00 C ATOM 1243 C PRO B 20 10.309 0.075 -8.381 1.00 0.00 C ATOM 1244 O PRO B 20 10.708 1.231 -8.532 1.00 0.00 O ATOM 1245 CB PRO B 20 12.000 -1.069 -6.897 1.00 0.00 C ATOM 1246 CG PRO B 20 12.011 -2.550 -6.700 1.00 0.00 C ATOM 1247 CD PRO B 20 10.665 -3.060 -7.175 1.00 0.00 C ATOM 0 HA PRO B 20 10.204 0.081 -6.294 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.571 -0.795 -7.784 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.465 -0.565 -6.050 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.821 -3.010 -7.266 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.172 -2.800 -5.651 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.686 -3.334 -8.230 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.350 -3.945 -6.622 1.00 0.00 H new ATOM 1255 N ASN B 21 9.698 -0.613 -9.356 1.00 0.00 N ATOM 1256 CA ASN B 21 9.475 -0.013 -10.669 1.00 0.00 C ATOM 1257 C ASN B 21 8.128 0.709 -10.743 1.00 0.00 C ATOM 1258 O ASN B 21 7.940 1.571 -11.605 1.00 0.00 O ATOM 1259 CB ASN B 21 9.559 -1.080 -11.764 1.00 0.00 C ATOM 1260 CG ASN B 21 10.892 -1.826 -11.690 1.00 0.00 C ATOM 1261 OD1 ASN B 21 10.935 -3.092 -11.993 1.00 0.00 O flip ATOM 1262 ND2 ASN B 21 11.921 -1.238 -11.354 1.00 0.00 N flip ATOM 0 H ASN B 21 9.356 -1.569 -9.259 1.00 0.00 H new ATOM 0 HA ASN B 21 10.259 0.728 -10.827 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.735 -1.785 -11.655 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.452 -0.613 -12.743 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.888 -0.247 -11.117 1.00 0.00 H new ATOM 0 HD22 ASN B 21 12.807 -1.743 -11.313 1.00 0.00 H new ATOM 1269 N LEU B 22 7.187 0.365 -9.848 1.00 0.00 N ATOM 1270 CA LEU B 22 5.876 1.023 -9.868 1.00 0.00 C ATOM 1271 C LEU B 22 5.973 2.479 -9.432 1.00 0.00 C ATOM 1272 O LEU B 22 6.874 2.873 -8.690 1.00 0.00 O ATOM 1273 CB LEU B 22 4.852 0.307 -8.966 1.00 0.00 C ATOM 1274 CG LEU B 22 4.635 -1.144 -9.394 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.380 -1.702 -8.716 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.447 -1.198 -10.889 1.00 0.00 C ATOM 0 H LEU B 22 7.305 -0.343 -9.123 1.00 0.00 H new ATOM 0 HA LEU B 22 5.534 0.973 -10.902 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.197 0.333 -7.932 1.00 0.00 H new ATOM 0 HB3 LEU B 22 3.903 0.841 -8.999 1.00 0.00 H new ATOM 0 HG LEU B 22 5.502 -1.738 -9.103 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.229 -2.737 -9.024 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.502 -1.660 -7.634 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.514 -1.107 -9.007 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.292 -2.231 -11.199 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.579 -0.601 -11.168 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.334 -0.801 -11.382 1.00 0.00 H new ATOM 1288 N ASN B 23 5.014 3.260 -9.910 1.00 0.00 N ATOM 1289 CA ASN B 23 4.922 4.678 -9.603 1.00 0.00 C ATOM 1290 C ASN B 23 4.087 4.863 -8.335 1.00 0.00 C ATOM 1291 O ASN B 23 3.279 3.998 -7.999 1.00 0.00 O ATOM 1292 CB ASN B 23 4.278 5.367 -10.828 1.00 0.00 C ATOM 1293 CG ASN B 23 3.322 6.490 -10.462 1.00 0.00 C ATOM 1294 OD1 ASN B 23 2.161 6.469 -10.854 1.00 0.00 O ATOM 1295 ND2 ASN B 23 3.747 7.482 -9.759 1.00 0.00 N ATOM 0 H ASN B 23 4.274 2.924 -10.526 1.00 0.00 H new ATOM 0 HA ASN B 23 5.899 5.122 -9.413 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.067 5.766 -11.466 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.741 4.621 -11.414 1.00 0.00 H new ATOM 0 HD21 ASN B 23 3.117 8.250 -9.528 1.00 0.00 H new ATOM 0 HD22 ASN B 23 4.713 7.499 -9.433 1.00 0.00 H new ATOM 1302 N SER B 24 4.273 5.990 -7.638 1.00 0.00 N ATOM 1303 CA SER B 24 3.507 6.248 -6.419 1.00 0.00 C ATOM 1304 C SER B 24 2.020 6.202 -6.739 1.00 0.00 C ATOM 1305 O SER B 24 1.236 5.587 -6.020 1.00 0.00 O ATOM 1306 CB SER B 24 3.863 7.625 -5.849 1.00 0.00 C ATOM 1307 OG SER B 24 3.543 8.632 -6.803 1.00 0.00 O ATOM 0 H SER B 24 4.935 6.723 -7.893 1.00 0.00 H new ATOM 0 HA SER B 24 3.751 5.486 -5.679 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.315 7.799 -4.923 1.00 0.00 H new ATOM 0 HB3 SER B 24 4.924 7.665 -5.604 1.00 0.00 H new ATOM 0 HG SER B 24 3.769 9.513 -6.437 1.00 0.00 H new ATOM 1313 N LEU B 25 1.662 6.836 -7.852 1.00 0.00 N ATOM 1314 CA LEU B 25 0.287 6.866 -8.314 1.00 0.00 C ATOM 1315 C LEU B 25 -0.148 5.492 -8.809 1.00 0.00 C ATOM 1316 O LEU B 25 -1.289 5.094 -8.586 1.00 0.00 O ATOM 1317 CB LEU B 25 0.117 7.903 -9.436 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.779 9.043 -8.982 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -1.032 10.005 -10.150 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -2.102 8.464 -8.486 1.00 0.00 C ATOM 0 H LEU B 25 2.316 7.339 -8.452 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.344 7.149 -7.472 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.092 8.294 -9.727 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.312 7.426 -10.317 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.295 9.594 -8.176 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.675 10.820 -9.817 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -0.083 10.411 -10.499 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.518 9.468 -10.965 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.753 9.274 -8.157 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.585 7.915 -9.295 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.914 7.789 -7.651 1.00 0.00 H new ATOM 1332 N GLN B 26 0.766 4.766 -9.465 1.00 0.00 N ATOM 1333 CA GLN B 26 0.449 3.434 -9.960 1.00 0.00 C ATOM 1334 C GLN B 26 0.162 2.517 -8.791 1.00 0.00 C ATOM 1335 O GLN B 26 -0.760 1.707 -8.826 1.00 0.00 O ATOM 1336 CB GLN B 26 1.627 2.863 -10.738 1.00 0.00 C ATOM 1337 CG GLN B 26 1.697 3.460 -12.147 1.00 0.00 C ATOM 1338 CD GLN B 26 2.882 2.861 -12.896 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.687 2.043 -12.276 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.080 3.147 -14.075 1.00 0.00 N flip ATOM 0 H GLN B 26 1.717 5.079 -9.660 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.421 3.506 -10.613 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.555 3.071 -10.205 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.533 1.779 -10.803 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.772 3.256 -12.686 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.800 4.544 -12.089 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.449 3.787 -14.557 1.00 0.00 H new ATOM 0 HE22 GLN B 26 3.875 2.744 -14.571 1.00 0.00 H new ATOM 1349 N VAL B 27 0.967 2.675 -7.750 1.00 0.00 N ATOM 1350 CA VAL B 27 0.816 1.880 -6.551 1.00 0.00 C ATOM 1351 C VAL B 27 -0.504 2.205 -5.912 1.00 0.00 C ATOM 1352 O VAL B 27 -1.277 1.314 -5.583 1.00 0.00 O ATOM 1353 CB VAL B 27 1.994 2.133 -5.611 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.756 1.458 -4.250 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.244 1.549 -6.274 1.00 0.00 C ATOM 0 H VAL B 27 1.731 3.349 -7.717 1.00 0.00 H new ATOM 0 HA VAL B 27 0.820 0.817 -6.792 1.00 0.00 H new ATOM 0 HB VAL B 27 2.112 3.202 -5.434 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.606 1.650 -3.595 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.850 1.862 -3.797 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.643 0.383 -4.392 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.108 1.712 -5.629 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.106 0.479 -6.432 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.410 2.039 -7.233 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.779 3.492 -5.810 1.00 0.00 N ATOM 1366 CA VAL B 28 -2.036 3.944 -5.286 1.00 0.00 C ATOM 1367 C VAL B 28 -3.153 3.403 -6.189 1.00 0.00 C ATOM 1368 O VAL B 28 -4.236 3.083 -5.718 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.069 5.477 -5.224 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.432 5.915 -4.690 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.950 5.995 -4.291 1.00 0.00 C ATOM 0 H VAL B 28 -0.141 4.238 -6.086 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.177 3.575 -4.270 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.909 5.889 -6.220 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.471 7.003 -4.640 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.216 5.554 -5.355 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.583 5.501 -3.693 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.982 7.084 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.097 5.593 -3.288 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.019 5.673 -4.672 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.858 3.291 -7.493 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.818 2.775 -8.465 1.00 0.00 C ATOM 1383 C ALA B 29 -4.189 1.348 -8.105 1.00 0.00 C ATOM 1384 O ALA B 29 -5.366 0.978 -8.113 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.201 2.790 -9.874 1.00 0.00 C ATOM 0 H ALA B 29 -1.958 3.553 -7.894 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.707 3.405 -8.451 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.924 2.403 -10.592 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.933 3.812 -10.143 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.308 2.165 -9.887 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.170 0.553 -7.779 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.376 -0.812 -7.412 1.00 0.00 C ATOM 1393 C PHE B 30 -4.030 -0.887 -6.031 1.00 0.00 C ATOM 1394 O PHE B 30 -5.001 -1.613 -5.850 1.00 0.00 O ATOM 1395 CB PHE B 30 -2.019 -1.539 -7.477 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.538 -1.556 -8.931 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.357 -2.088 -9.952 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.292 -0.991 -9.278 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.933 -2.049 -11.276 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.119 -0.968 -10.610 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.703 -1.493 -11.608 1.00 0.00 C ATOM 0 H PHE B 30 -2.195 0.851 -7.767 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.059 -1.309 -8.102 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.289 -1.034 -6.844 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.118 -2.557 -7.100 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.313 -2.525 -9.704 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.344 -0.576 -8.510 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.565 -2.454 -12.053 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.077 -0.542 -10.870 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.383 -1.467 -12.639 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.541 -0.087 -5.077 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.127 -0.064 -3.734 1.00 0.00 C ATOM 1413 C ILE B 31 -5.610 0.320 -3.828 1.00 0.00 C ATOM 1414 O ILE B 31 -6.472 -0.327 -3.235 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.364 0.939 -2.847 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.899 0.490 -2.677 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -4.015 1.010 -1.463 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.076 1.629 -2.054 1.00 0.00 C ATOM 0 H ILE B 31 -2.751 0.545 -5.208 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.047 -1.054 -3.284 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.397 1.917 -3.326 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.851 -0.395 -2.043 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.479 0.212 -3.644 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.471 1.721 -0.841 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.051 1.335 -1.564 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.988 0.025 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.041 1.308 -1.936 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.112 2.502 -2.705 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.490 1.886 -1.079 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.888 1.362 -4.602 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.266 1.835 -4.810 1.00 0.00 C ATOM 1432 C ASN B 32 -8.159 0.739 -5.397 1.00 0.00 C ATOM 1433 O ASN B 32 -9.366 0.723 -5.142 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.295 3.028 -5.785 1.00 0.00 C ATOM 1435 CG ASN B 32 -7.171 4.357 -5.046 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -6.303 5.238 -5.455 1.00 0.00 O flip ATOM 1437 ND2 ASN B 32 -7.896 4.607 -4.083 1.00 0.00 N flip ATOM 0 H ASN B 32 -5.181 1.902 -5.101 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.640 2.130 -3.830 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.480 2.932 -6.503 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -8.225 3.012 -6.354 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -8.575 3.917 -3.763 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -7.817 5.505 -3.605 1.00 0.00 H new ATOM 1444 N SER B 33 -7.579 -0.159 -6.201 1.00 0.00 N ATOM 1445 CA SER B 33 -8.349 -1.214 -6.822 1.00 0.00 C ATOM 1446 C SER B 33 -8.653 -2.311 -5.821 1.00 0.00 C ATOM 1447 O SER B 33 -9.699 -2.952 -5.906 1.00 0.00 O ATOM 1448 CB SER B 33 -7.623 -1.733 -8.047 1.00 0.00 C ATOM 1449 OG SER B 33 -8.024 -0.982 -9.185 1.00 0.00 O ATOM 0 H SER B 33 -6.585 -0.167 -6.429 1.00 0.00 H new ATOM 0 HA SER B 33 -9.308 -0.816 -7.155 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.545 -1.653 -7.906 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.848 -2.789 -8.197 1.00 0.00 H new ATOM 0 HG SER B 33 -7.555 -1.315 -9.978 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.766 -2.498 -4.833 1.00 0.00 N ATOM 1456 CA LEU B 34 -8.032 -3.492 -3.797 1.00 0.00 C ATOM 1457 C LEU B 34 -9.284 -3.008 -3.083 1.00 0.00 C ATOM 1458 O LEU B 34 -10.215 -3.769 -2.820 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.875 -3.602 -2.793 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.519 -3.474 -3.500 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.391 -3.720 -2.521 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.404 -4.482 -4.620 1.00 0.00 C ATOM 0 H LEU B 34 -6.887 -1.990 -4.734 1.00 0.00 H new ATOM 0 HA LEU B 34 -8.152 -4.481 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.970 -2.823 -2.037 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.929 -4.559 -2.273 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.450 -2.464 -3.905 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.435 -3.626 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.442 -2.988 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.482 -4.724 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.435 -4.374 -5.108 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.496 -5.489 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.198 -4.310 -5.347 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.295 -1.692 -2.844 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.442 -1.012 -2.237 1.00 0.00 C ATOM 1476 C ARG B 35 -11.686 -1.265 -3.087 1.00 0.00 C ATOM 1477 O ARG B 35 -12.750 -1.612 -2.570 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.167 0.504 -2.217 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.118 1.051 -0.784 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.796 1.789 -0.555 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.483 1.835 0.867 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.260 2.490 1.721 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -9.052 3.754 1.953 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -10.229 1.865 2.326 1.00 0.00 N ATOM 0 H ARG B 35 -8.515 -1.073 -3.064 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.597 -1.386 -1.225 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.221 0.709 -2.718 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.944 1.023 -2.779 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -10.956 1.727 -0.614 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.217 0.234 -0.070 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -7.993 1.287 -1.095 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.863 2.802 -0.953 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.652 1.355 1.213 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.292 4.241 1.478 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -9.649 4.257 2.609 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -10.390 0.874 2.143 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -10.827 2.366 2.983 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.520 -1.086 -4.400 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.604 -1.288 -5.358 1.00 0.00 C ATOM 1500 C ASP B 36 -13.094 -2.734 -5.329 1.00 0.00 C ATOM 1501 O ASP B 36 -14.294 -2.994 -5.418 1.00 0.00 O ATOM 1502 CB ASP B 36 -12.108 -0.940 -6.770 1.00 0.00 C ATOM 1503 CG ASP B 36 -13.255 -1.050 -7.775 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -13.988 -0.086 -7.917 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -13.384 -2.102 -8.384 1.00 0.00 O ATOM 0 H ASP B 36 -10.638 -0.799 -4.824 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.435 -0.638 -5.085 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.701 0.071 -6.781 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -11.299 -1.613 -7.055 1.00 0.00 H new ATOM 1510 N ASP B 37 -12.146 -3.663 -5.208 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.466 -5.087 -5.175 1.00 0.00 C ATOM 1512 C ASP B 37 -11.350 -5.877 -4.501 1.00 0.00 C ATOM 1513 O ASP B 37 -10.335 -6.203 -5.126 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.686 -5.612 -6.604 1.00 0.00 C ATOM 1515 CG ASP B 37 -14.176 -5.637 -6.936 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -14.851 -6.545 -6.474 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -14.621 -4.751 -7.649 1.00 0.00 O ATOM 0 H ASP B 37 -11.151 -3.454 -5.131 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.381 -5.218 -4.598 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -12.158 -4.978 -7.317 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.269 -6.614 -6.699 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.530 -6.201 -3.243 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.533 -6.986 -2.474 1.00 0.00 C ATOM 1524 C PRO B 38 -10.434 -8.425 -2.978 1.00 0.00 C ATOM 1525 O PRO B 38 -9.428 -9.102 -2.756 1.00 0.00 O ATOM 1526 CB PRO B 38 -11.025 -6.942 -1.025 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.274 -6.121 -0.990 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.706 -5.855 -2.426 1.00 0.00 C ATOM 0 HA PRO B 38 -9.531 -6.571 -2.580 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.220 -7.949 -0.657 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.264 -6.508 -0.376 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.060 -6.647 -0.447 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.098 -5.182 -0.465 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.569 -6.462 -2.698 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.992 -4.813 -2.566 1.00 0.00 H new ATOM 1536 N SER B 39 -11.486 -8.876 -3.669 1.00 0.00 N ATOM 1537 CA SER B 39 -11.519 -10.224 -4.218 1.00 0.00 C ATOM 1538 C SER B 39 -10.441 -10.369 -5.277 1.00 0.00 C ATOM 1539 O SER B 39 -9.745 -11.385 -5.332 1.00 0.00 O ATOM 1540 CB SER B 39 -12.896 -10.507 -4.829 1.00 0.00 C ATOM 1541 OG SER B 39 -13.144 -9.585 -5.886 1.00 0.00 O ATOM 0 H SER B 39 -12.322 -8.323 -3.858 1.00 0.00 H new ATOM 0 HA SER B 39 -11.335 -10.942 -3.419 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.935 -11.529 -5.206 1.00 0.00 H new ATOM 0 HB3 SER B 39 -13.669 -10.419 -4.066 1.00 0.00 H new ATOM 0 HG SER B 39 -14.023 -9.766 -6.279 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.298 -9.326 -6.102 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.292 -9.320 -7.146 1.00 0.00 C ATOM 1549 C GLN B 40 -8.113 -8.466 -6.736 1.00 0.00 C ATOM 1550 O GLN B 40 -7.375 -7.985 -7.590 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.858 -8.830 -8.488 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.393 -8.903 -8.506 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.918 -8.575 -9.901 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -12.827 -9.241 -10.397 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -11.392 -7.587 -10.569 1.00 0.00 N ATOM 0 H GLN B 40 -10.869 -8.482 -6.060 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.961 -10.349 -7.284 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.538 -7.803 -8.667 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.453 -9.436 -9.299 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.721 -9.900 -8.211 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.807 -8.203 -7.780 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -10.639 -7.036 -10.157 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -11.733 -7.365 -11.504 1.00 0.00 H new ATOM 1564 N SER B 41 -7.908 -8.296 -5.425 1.00 0.00 N ATOM 1565 CA SER B 41 -6.780 -7.518 -4.960 1.00 0.00 C ATOM 1566 C SER B 41 -5.510 -8.105 -5.546 1.00 0.00 C ATOM 1567 O SER B 41 -4.555 -7.399 -5.826 1.00 0.00 O ATOM 1568 CB SER B 41 -6.717 -7.573 -3.427 1.00 0.00 C ATOM 1569 OG SER B 41 -5.470 -7.061 -2.970 1.00 0.00 O ATOM 0 H SER B 41 -8.500 -8.682 -4.690 1.00 0.00 H new ATOM 0 HA SER B 41 -6.887 -6.480 -5.274 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.535 -6.993 -3.001 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.844 -8.601 -3.087 1.00 0.00 H new ATOM 0 HG SER B 41 -4.794 -7.770 -3.000 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.559 -9.412 -5.732 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.469 -10.185 -6.302 1.00 0.00 C ATOM 1577 C ALA B 42 -4.336 -9.936 -7.808 1.00 0.00 C ATOM 1578 O ALA B 42 -3.264 -10.123 -8.379 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.763 -11.664 -6.068 1.00 0.00 C ATOM 0 H ALA B 42 -6.372 -9.977 -5.487 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.536 -9.886 -5.825 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.957 -12.266 -6.488 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.839 -11.855 -4.998 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.703 -11.929 -6.551 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.449 -9.553 -8.437 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.503 -9.313 -9.875 1.00 0.00 C ATOM 1587 C ASN B 43 -4.760 -8.060 -10.288 1.00 0.00 C ATOM 1588 O ASN B 43 -3.903 -8.094 -11.165 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.943 -9.153 -10.271 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.094 -9.176 -11.790 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.296 -8.133 -12.410 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -7.006 -10.310 -12.428 1.00 0.00 N ATOM 0 H ASN B 43 -6.338 -9.401 -7.960 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.028 -10.160 -10.370 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.537 -9.953 -9.830 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.331 -8.214 -9.877 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -7.105 -10.333 -13.443 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.838 -11.174 -11.912 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.102 -6.949 -9.653 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.457 -5.703 -9.961 1.00 0.00 C ATOM 1601 C LEU B 44 -3.065 -5.731 -9.342 1.00 0.00 C ATOM 1602 O LEU B 44 -2.125 -5.138 -9.842 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.346 -4.492 -9.604 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.539 -4.256 -8.117 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.464 -5.307 -7.526 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.221 -4.193 -7.371 1.00 0.00 C ATOM 0 H LEU B 44 -5.818 -6.895 -8.928 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.317 -5.575 -11.034 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.909 -3.596 -10.045 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.324 -4.630 -10.065 1.00 0.00 H new ATOM 0 HG LEU B 44 -6.009 -3.280 -7.998 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.591 -5.122 -6.459 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.434 -5.257 -8.021 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.032 -6.297 -7.674 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.411 -4.023 -6.311 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.686 -5.134 -7.497 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.617 -3.377 -7.767 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.948 -6.520 -8.281 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.676 -6.769 -7.629 1.00 0.00 C ATOM 1620 C LEU B 45 -0.819 -7.408 -8.695 1.00 0.00 C ATOM 1621 O LEU B 45 0.368 -7.118 -8.854 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.959 -7.749 -6.471 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.739 -8.542 -5.963 1.00 0.00 C ATOM 1624 CD1 LEU B 45 -0.117 -9.445 -7.031 1.00 0.00 C ATOM 1625 CD2 LEU B 45 0.295 -7.587 -5.411 1.00 0.00 C ATOM 0 H LEU B 45 -3.736 -7.004 -7.851 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.185 -5.884 -7.225 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -2.379 -7.187 -5.637 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.722 -8.457 -6.795 1.00 0.00 H new ATOM 0 HG LEU B 45 -1.095 -9.205 -5.174 1.00 0.00 H new ATOM 0 HD11 LEU B 45 0.737 -9.974 -6.608 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -0.858 -10.167 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.214 -8.838 -7.873 1.00 0.00 H new ATOM 0 HD21 LEU B 45 1.156 -8.151 -5.053 1.00 0.00 H new ATOM 0 HD22 LEU B 45 0.612 -6.900 -6.196 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -0.137 -7.021 -4.586 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.505 -8.262 -9.454 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.907 -8.968 -10.566 1.00 0.00 C ATOM 1639 C ALA B 46 -0.520 -7.939 -11.620 1.00 0.00 C ATOM 1640 O ALA B 46 0.581 -7.971 -12.172 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.917 -9.975 -11.146 1.00 0.00 C ATOM 0 H ALA B 46 -2.491 -8.478 -9.308 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.025 -9.520 -10.241 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.463 -10.505 -11.983 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.201 -10.691 -10.375 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.804 -9.443 -11.491 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.441 -6.995 -11.839 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.230 -5.897 -12.770 1.00 0.00 C ATOM 1649 C GLU B 47 -0.031 -5.082 -12.314 1.00 0.00 C ATOM 1650 O GLU B 47 0.680 -4.502 -13.124 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.453 -4.961 -12.807 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.669 -5.645 -13.416 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.404 -6.030 -14.874 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.136 -5.140 -15.665 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.477 -7.210 -15.178 1.00 0.00 O ATOM 0 H GLU B 47 -2.349 -6.976 -11.374 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.068 -6.319 -13.762 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.690 -4.632 -11.795 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.211 -4.069 -13.384 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -3.917 -6.536 -12.839 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.531 -4.980 -13.362 1.00 0.00 H new ATOM 1662 N ALA B 48 0.151 -5.019 -10.996 1.00 0.00 N ATOM 1663 CA ALA B 48 1.222 -4.253 -10.407 1.00 0.00 C ATOM 1664 C ALA B 48 2.552 -4.909 -10.651 1.00 0.00 C ATOM 1665 O ALA B 48 3.488 -4.276 -11.111 1.00 0.00 O ATOM 1666 CB ALA B 48 0.989 -4.215 -8.913 1.00 0.00 C ATOM 0 H ALA B 48 -0.442 -5.499 -10.319 1.00 0.00 H new ATOM 0 HA ALA B 48 1.234 -3.256 -10.848 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.783 -3.642 -8.435 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.028 -3.745 -8.707 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.988 -5.231 -8.519 1.00 0.00 H new ATOM 1672 N LYS B 49 2.608 -6.194 -10.367 1.00 0.00 N ATOM 1673 CA LYS B 49 3.819 -6.952 -10.585 1.00 0.00 C ATOM 1674 C LYS B 49 4.150 -6.892 -12.071 1.00 0.00 C ATOM 1675 O LYS B 49 5.312 -6.823 -12.468 1.00 0.00 O ATOM 1676 CB LYS B 49 3.601 -8.383 -10.103 1.00 0.00 C ATOM 1677 CG LYS B 49 3.641 -8.446 -8.575 1.00 0.00 C ATOM 1678 CD LYS B 49 3.836 -9.906 -8.134 1.00 0.00 C ATOM 1679 CE LYS B 49 2.608 -10.754 -8.500 1.00 0.00 C ATOM 1680 NZ LYS B 49 2.278 -11.662 -7.365 1.00 0.00 N ATOM 0 H LYS B 49 1.830 -6.733 -9.986 1.00 0.00 H new ATOM 0 HA LYS B 49 4.659 -6.540 -10.026 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.641 -8.752 -10.463 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.369 -9.034 -10.520 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.454 -7.827 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.716 -8.048 -8.158 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.725 -10.319 -8.611 1.00 0.00 H new ATOM 0 HD3 LYS B 49 4.004 -9.946 -7.058 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.759 -10.108 -8.722 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.809 -11.336 -9.399 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 1.308 -12.020 -7.478 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 2.943 -12.461 -7.355 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 2.352 -11.139 -6.469 1.00 0.00 H new ATOM 1694 N LYS B 50 3.085 -6.862 -12.867 1.00 0.00 N ATOM 1695 CA LYS B 50 3.178 -6.748 -14.315 1.00 0.00 C ATOM 1696 C LYS B 50 3.639 -5.352 -14.708 1.00 0.00 C ATOM 1697 O LYS B 50 4.433 -5.193 -15.625 1.00 0.00 O ATOM 1698 CB LYS B 50 1.808 -7.010 -14.915 1.00 0.00 C ATOM 1699 CG LYS B 50 1.905 -7.149 -16.441 1.00 0.00 C ATOM 1700 CD LYS B 50 0.536 -7.554 -17.006 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.416 -6.352 -17.003 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.743 -6.771 -17.536 1.00 0.00 N ATOM 0 H LYS B 50 2.127 -6.917 -12.521 1.00 0.00 H new ATOM 0 HA LYS B 50 3.901 -7.474 -14.687 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.386 -7.919 -14.488 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.131 -6.194 -14.661 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.228 -6.207 -16.883 1.00 0.00 H new ATOM 0 HG3 LYS B 50 2.654 -7.897 -16.702 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.651 -7.933 -18.021 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.114 -8.363 -16.410 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.525 -5.963 -15.991 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.005 -5.547 -17.612 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.472 -6.101 -17.218 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.712 -6.782 -18.575 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -1.972 -7.723 -17.187 1.00 0.00 H new ATOM 1716 N LEU B 51 3.121 -4.342 -14.007 1.00 0.00 N ATOM 1717 CA LEU B 51 3.490 -2.957 -14.292 1.00 0.00 C ATOM 1718 C LEU B 51 4.923 -2.742 -13.910 1.00 0.00 C ATOM 1719 O LEU B 51 5.695 -2.124 -14.640 1.00 0.00 O ATOM 1720 CB LEU B 51 2.593 -1.985 -13.518 1.00 0.00 C ATOM 1721 CG LEU B 51 1.657 -1.272 -14.490 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.471 -0.270 -15.322 1.00 0.00 C ATOM 1723 CD2 LEU B 51 0.972 -2.308 -15.405 1.00 0.00 C ATOM 0 H LEU B 51 2.452 -4.456 -13.246 1.00 0.00 H new ATOM 0 HA LEU B 51 3.358 -2.767 -15.357 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.014 -2.526 -12.769 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.203 -1.257 -12.984 1.00 0.00 H new ATOM 0 HG LEU B 51 0.884 -0.735 -13.940 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.811 0.245 -16.020 1.00 0.00 H new ATOM 0 HD12 LEU B 51 2.938 0.459 -14.659 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.243 -0.801 -15.878 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.304 -1.796 -16.098 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.729 -2.854 -15.967 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.398 -3.007 -14.797 1.00 0.00 H new ATOM 1735 N ASN B 52 5.275 -3.312 -12.777 1.00 0.00 N ATOM 1736 CA ASN B 52 6.638 -3.246 -12.309 1.00 0.00 C ATOM 1737 C ASN B 52 7.490 -3.932 -13.347 1.00 0.00 C ATOM 1738 O ASN B 52 8.579 -3.473 -13.684 1.00 0.00 O ATOM 1739 CB ASN B 52 6.770 -3.942 -10.962 1.00 0.00 C ATOM 1740 CG ASN B 52 8.234 -4.012 -10.541 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.707 -3.190 -9.758 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.982 -4.951 -11.029 1.00 0.00 N ATOM 0 H ASN B 52 4.637 -3.824 -12.167 1.00 0.00 H new ATOM 0 HA ASN B 52 6.954 -2.212 -12.171 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.194 -3.404 -10.209 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.354 -4.948 -11.023 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.965 -5.009 -10.764 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.588 -5.632 -11.678 1.00 0.00 H new ATOM 1749 N ASP B 53 6.935 -5.019 -13.880 1.00 0.00 N ATOM 1750 CA ASP B 53 7.610 -5.765 -14.932 1.00 0.00 C ATOM 1751 C ASP B 53 7.668 -4.907 -16.196 1.00 0.00 C ATOM 1752 O ASP B 53 8.639 -4.947 -16.954 1.00 0.00 O ATOM 1753 CB ASP B 53 6.874 -7.075 -15.232 1.00 0.00 C ATOM 1754 CG ASP B 53 7.726 -7.958 -16.140 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.572 -8.669 -15.621 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.524 -7.906 -17.343 1.00 0.00 O ATOM 0 H ASP B 53 6.029 -5.397 -13.602 1.00 0.00 H new ATOM 0 HA ASP B 53 8.619 -6.009 -14.598 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.655 -7.600 -14.302 1.00 0.00 H new ATOM 0 HB3 ASP B 53 5.918 -6.863 -15.711 1.00 0.00 H new ATOM 1761 N ALA B 54 6.598 -4.135 -16.403 1.00 0.00 N ATOM 1762 CA ALA B 54 6.479 -3.255 -17.558 1.00 0.00 C ATOM 1763 C ALA B 54 7.527 -2.146 -17.504 1.00 0.00 C ATOM 1764 O ALA B 54 8.099 -1.771 -18.528 1.00 0.00 O ATOM 1765 CB ALA B 54 5.076 -2.647 -17.580 1.00 0.00 C ATOM 0 H ALA B 54 5.795 -4.106 -15.775 1.00 0.00 H new ATOM 0 HA ALA B 54 6.646 -3.835 -18.466 1.00 0.00 H new ATOM 0 HB1 ALA B 54 4.979 -1.987 -18.442 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.335 -3.444 -17.648 1.00 0.00 H new ATOM 0 HB3 ALA B 54 4.912 -2.076 -16.666 1.00 0.00 H new ATOM 1771 N GLN B 55 7.766 -1.632 -16.298 1.00 0.00 N ATOM 1772 CA GLN B 55 8.743 -0.567 -16.093 1.00 0.00 C ATOM 1773 C GLN B 55 10.115 -1.130 -15.727 1.00 0.00 C ATOM 1774 O GLN B 55 11.081 -0.376 -15.582 1.00 0.00 O ATOM 1775 CB GLN B 55 8.256 0.331 -14.975 1.00 0.00 C ATOM 1776 CG GLN B 55 6.957 1.023 -15.381 1.00 0.00 C ATOM 1777 CD GLN B 55 6.135 1.304 -14.136 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.844 2.458 -13.825 1.00 0.00 O ATOM 1779 NE2 GLN B 55 5.754 0.303 -13.393 1.00 0.00 N ATOM 0 H GLN B 55 7.294 -1.938 -15.447 1.00 0.00 H new ATOM 0 HA GLN B 55 8.846 -0.006 -17.022 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.096 -0.256 -14.071 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.016 1.077 -14.741 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.174 1.953 -15.906 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.394 0.393 -16.069 1.00 0.00 H new ATOM 0 HE21 GLN B 55 5.999 -0.651 -13.658 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.211 0.474 -12.547 1.00 0.00 H new ATOM 1788 N ALA B 56 10.192 -2.451 -15.564 1.00 0.00 N ATOM 1789 CA ALA B 56 11.454 -3.099 -15.196 1.00 0.00 C ATOM 1790 C ALA B 56 12.500 -2.941 -16.287 1.00 0.00 C ATOM 1791 O ALA B 56 12.178 -2.603 -17.429 1.00 0.00 O ATOM 1792 CB ALA B 56 11.243 -4.588 -14.924 1.00 0.00 C ATOM 0 H ALA B 56 9.405 -3.089 -15.679 1.00 0.00 H new ATOM 0 HA ALA B 56 11.810 -2.609 -14.290 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.194 -5.047 -14.653 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.534 -4.711 -14.105 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.850 -5.069 -15.820 1.00 0.00 H new