USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 828 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 21 ASN :FLIP amide:sc= -0.507 F(o=-6.6,f=-4) USER MOD Set 1.2: B 52 ASN : amide:sc= -3.52 K(o=-4,f=-12!) USER MOD Set 2.1: B 26 GLN :FLIP amide:sc= -0.828 F(o=-15!,f=-2.3) USER MOD Set 2.2: B 55 GLN :FLIP amide:sc= -1.51 F(o=-2.9!,f=-2.3) USER MOD Set 3.1: A 28 LYS NZ :NH3+ -141:sc= -1.42 (180deg=-3.44!) USER MOD Set 3.2: B 24 SER OG : rot 180:sc= -0.526 USER MOD Set 4.1: A 21 ASN :FLIP amide:sc= -1.14 F(o=-14!,f=-10) USER MOD Set 4.2: A 52 ASN : amide:sc= -9.17! C(o=-10!,f=-19!) USER MOD Set 5.1: A 26 GLN :FLIP amide:sc= -0.286 F(o=-7.1!,f=-2.8) USER MOD Set 5.2: A 55 GLN :FLIP amide:sc= -2.49! C(o=-7!,f=-2.8!) USER MOD Set 6.1: A 13 THR OG1 : rot 110:sc= -2.07 USER MOD Set 6.2: B 17 MET CE :methyl -125:sc= -11.5! (180deg=-11.6!) USER MOD Single : A 4 LYS NZ :NH3+ -110:sc= -0.269 (180deg=-2.99!) USER MOD Single : A 6 ASN : amide:sc= -2.17 K(o=-2.2,f=-8.4!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -5! C(o=-5!,f=-4.7!) USER MOD Single : A 23 ASN : amide:sc= -2.98! C(o=-3!,f=-6.1!) USER MOD Single : A 33 SER OG : rot 75:sc= 1.02 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 -93:sc= 0.49 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= -1.5 (180deg=-1.5) USER MOD Single : A 50 LYS NZ :NH3+ -171:sc= 1.18 (180deg=1.1) USER MOD Single : B 6 ASN :FLIP amide:sc= -0.413 F(o=-7.2!,f=-0.41) USER MOD Single : B 7 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.2) USER MOD Single : B 23 ASN : amide:sc= -2.71! C(o=-2.7!,f=-16!) USER MOD Single : B 32 ASN : amide:sc= -0.046 K(o=-0.046,f=-1.1) USER MOD Single : B 33 SER OG : rot 88:sc= 0.0448 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -1.06 X(o=-1.1,f=-1) USER MOD Single : B 41 SER OG : rot 126:sc= -3.33! USER MOD Single : B 43 ASN :FLIP amide:sc= -0.0519 F(o=-0.8,f=-0.052) USER MOD Single : B 49 LYS NZ :NH3+ 139:sc= -0.91 (180deg=-2.43!) USER MOD Single : B 50 LYS NZ :NH3+ -132:sc= 0.338 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 6.327 -10.893 6.857 1.00 0.00 N ATOM 46 CA LYS A 4 5.656 -10.035 7.834 1.00 0.00 C ATOM 47 C LYS A 4 5.851 -8.564 7.467 1.00 0.00 C ATOM 48 O LYS A 4 4.893 -7.794 7.451 1.00 0.00 O ATOM 49 CB LYS A 4 6.209 -10.299 9.237 1.00 0.00 C ATOM 50 CG LYS A 4 5.340 -9.572 10.267 1.00 0.00 C ATOM 51 CD LYS A 4 5.934 -9.740 11.667 1.00 0.00 C ATOM 52 CE LYS A 4 5.020 -9.057 12.687 1.00 0.00 C ATOM 53 NZ LYS A 4 5.385 -7.614 12.795 1.00 0.00 N ATOM 0 HA LYS A 4 4.590 -10.264 7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.218 -11.370 9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.240 -9.953 9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.274 -8.513 10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.325 -9.969 10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.039 -10.798 11.906 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.932 -9.304 11.706 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.978 -9.158 12.382 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.116 -9.541 13.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.827 -7.436 13.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.054 -7.368 12.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.528 -7.031 12.703 1.00 0.00 H new ATOM 67 N PHE A 5 7.095 -8.192 7.156 1.00 0.00 N ATOM 68 CA PHE A 5 7.411 -6.824 6.772 1.00 0.00 C ATOM 69 C PHE A 5 6.623 -6.439 5.522 1.00 0.00 C ATOM 70 O PHE A 5 6.136 -5.321 5.418 1.00 0.00 O ATOM 71 CB PHE A 5 8.926 -6.666 6.538 1.00 0.00 C ATOM 72 CG PHE A 5 9.314 -7.169 5.161 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.475 -8.542 4.931 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.509 -6.256 4.113 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.831 -9.001 3.659 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.865 -6.718 2.843 1.00 0.00 C ATOM 77 CZ PHE A 5 10.026 -8.089 2.615 1.00 0.00 C ATOM 0 H PHE A 5 7.896 -8.823 7.164 1.00 0.00 H new ATOM 0 HA PHE A 5 7.125 -6.153 7.582 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.207 -5.618 6.639 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.476 -7.218 7.300 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.324 -9.246 5.736 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.384 -5.198 4.288 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.956 -10.059 3.482 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.016 -6.016 2.036 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.301 -8.444 1.633 1.00 0.00 H new ATOM 87 N ASN A 6 6.495 -7.386 4.583 1.00 0.00 N ATOM 88 CA ASN A 6 5.744 -7.152 3.353 1.00 0.00 C ATOM 89 C ASN A 6 4.283 -6.914 3.685 1.00 0.00 C ATOM 90 O ASN A 6 3.664 -5.984 3.181 1.00 0.00 O ATOM 91 CB ASN A 6 5.855 -8.378 2.449 1.00 0.00 C ATOM 92 CG ASN A 6 5.211 -8.125 1.088 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.737 -7.377 0.281 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.092 -8.718 0.785 1.00 0.00 N ATOM 0 H ASN A 6 6.903 -8.318 4.656 1.00 0.00 H new ATOM 0 HA ASN A 6 6.152 -6.278 2.844 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.905 -8.639 2.314 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.374 -9.231 2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.659 -8.556 -0.124 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.649 -9.344 1.457 1.00 0.00 H new ATOM 101 N LYS A 7 3.752 -7.755 4.571 1.00 0.00 N ATOM 102 CA LYS A 7 2.374 -7.630 4.993 1.00 0.00 C ATOM 103 C LYS A 7 2.210 -6.290 5.687 1.00 0.00 C ATOM 104 O LYS A 7 1.245 -5.578 5.463 1.00 0.00 O ATOM 105 CB LYS A 7 2.011 -8.781 5.945 1.00 0.00 C ATOM 106 CG LYS A 7 0.488 -8.869 6.112 1.00 0.00 C ATOM 107 CD LYS A 7 0.113 -10.153 6.867 1.00 0.00 C ATOM 108 CE LYS A 7 -0.463 -11.183 5.889 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.984 -12.355 6.647 1.00 0.00 N ATOM 0 H LYS A 7 4.260 -8.526 5.005 1.00 0.00 H new ATOM 0 HA LYS A 7 1.707 -7.682 4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.396 -9.722 5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.482 -8.623 6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.123 -7.998 6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.006 -8.859 5.134 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.992 -10.563 7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.617 -9.928 7.644 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.263 -10.733 5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.307 -11.504 5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.374 -13.053 5.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.210 -12.789 7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.731 -12.042 7.299 1.00 0.00 H new ATOM 123 N GLU A 8 3.196 -5.946 6.512 1.00 0.00 N ATOM 124 CA GLU A 8 3.174 -4.678 7.225 1.00 0.00 C ATOM 125 C GLU A 8 3.356 -3.509 6.261 1.00 0.00 C ATOM 126 O GLU A 8 2.688 -2.486 6.378 1.00 0.00 O ATOM 127 CB GLU A 8 4.263 -4.658 8.296 1.00 0.00 C ATOM 128 CG GLU A 8 3.882 -5.591 9.453 1.00 0.00 C ATOM 129 CD GLU A 8 5.004 -5.618 10.492 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.036 -6.206 10.207 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.817 -5.050 11.555 1.00 0.00 O ATOM 0 H GLU A 8 4.014 -6.525 6.701 1.00 0.00 H new ATOM 0 HA GLU A 8 2.202 -4.572 7.707 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.214 -4.971 7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.400 -3.642 8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.955 -5.252 9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.700 -6.597 9.075 1.00 0.00 H new ATOM 138 N LEU A 9 4.232 -3.704 5.286 1.00 0.00 N ATOM 139 CA LEU A 9 4.486 -2.704 4.245 1.00 0.00 C ATOM 140 C LEU A 9 3.184 -2.452 3.516 1.00 0.00 C ATOM 141 O LEU A 9 2.827 -1.314 3.222 1.00 0.00 O ATOM 142 CB LEU A 9 5.567 -3.238 3.288 1.00 0.00 C ATOM 143 CG LEU A 9 5.702 -2.336 2.048 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.450 -1.041 2.358 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.471 -3.072 0.976 1.00 0.00 C ATOM 0 H LEU A 9 4.787 -4.554 5.189 1.00 0.00 H new ATOM 0 HA LEU A 9 4.846 -1.768 4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.523 -3.292 3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.315 -4.252 2.978 1.00 0.00 H new ATOM 0 HG LEU A 9 4.694 -2.087 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.521 -0.437 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.912 -0.485 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.452 -1.277 2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.568 -2.436 0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.462 -3.328 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.938 -3.984 0.707 1.00 0.00 H new ATOM 157 N GLY A 10 2.455 -3.527 3.273 1.00 0.00 N ATOM 158 CA GLY A 10 1.184 -3.424 2.630 1.00 0.00 C ATOM 159 C GLY A 10 0.153 -2.885 3.597 1.00 0.00 C ATOM 160 O GLY A 10 -0.728 -2.118 3.226 1.00 0.00 O ATOM 0 H GLY A 10 2.734 -4.477 3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.259 -2.768 1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.873 -4.402 2.263 1.00 0.00 H new ATOM 164 N TRP A 11 0.232 -3.320 4.845 1.00 0.00 N ATOM 165 CA TRP A 11 -0.751 -2.881 5.803 1.00 0.00 C ATOM 166 C TRP A 11 -0.640 -1.432 6.158 1.00 0.00 C ATOM 167 O TRP A 11 -1.634 -0.708 6.101 1.00 0.00 O ATOM 168 CB TRP A 11 -0.788 -3.731 7.056 1.00 0.00 C ATOM 169 CG TRP A 11 -2.234 -3.851 7.471 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.657 -3.883 8.742 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.456 -3.915 6.631 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.036 -4.004 8.754 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.571 -4.014 7.483 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.705 -3.908 5.230 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.873 -4.099 6.980 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -4.996 -3.986 4.724 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.088 -4.080 5.596 1.00 0.00 C ATOM 0 H TRP A 11 0.945 -3.956 5.203 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.700 -3.014 5.284 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.359 -4.715 6.866 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.197 -3.273 7.849 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.025 -3.824 9.616 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.593 -4.077 9.606 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.872 -3.841 4.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.711 -4.179 7.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.158 -3.974 3.656 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.092 -4.138 5.203 1.00 0.00 H new ATOM 188 N ALA A 12 0.545 -0.999 6.525 1.00 0.00 N ATOM 189 CA ALA A 12 0.714 0.381 6.884 1.00 0.00 C ATOM 190 C ALA A 12 0.271 1.250 5.705 1.00 0.00 C ATOM 191 O ALA A 12 -0.387 2.266 5.892 1.00 0.00 O ATOM 192 CB ALA A 12 2.168 0.648 7.261 1.00 0.00 C ATOM 0 H ALA A 12 1.387 -1.572 6.581 1.00 0.00 H new ATOM 0 HA ALA A 12 0.102 0.626 7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.287 1.697 7.532 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.445 0.021 8.108 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.812 0.417 6.413 1.00 0.00 H new ATOM 198 N THR A 13 0.580 0.789 4.488 1.00 0.00 N ATOM 199 CA THR A 13 0.163 1.480 3.273 1.00 0.00 C ATOM 200 C THR A 13 -1.351 1.647 3.266 1.00 0.00 C ATOM 201 O THR A 13 -1.852 2.737 3.020 1.00 0.00 O ATOM 202 CB THR A 13 0.599 0.631 2.078 1.00 0.00 C ATOM 203 OG1 THR A 13 1.975 0.837 1.849 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.200 0.993 0.825 1.00 0.00 C ATOM 0 H THR A 13 1.118 -0.061 4.323 1.00 0.00 H new ATOM 0 HA THR A 13 0.618 2.469 3.222 1.00 0.00 H new ATOM 0 HB THR A 13 0.411 -0.419 2.302 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.471 0.026 2.088 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.131 0.374 -0.009 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.261 0.820 1.007 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.040 2.044 0.583 1.00 0.00 H new ATOM 212 N TRP A 14 -2.052 0.556 3.559 1.00 0.00 N ATOM 213 CA TRP A 14 -3.514 0.544 3.600 1.00 0.00 C ATOM 214 C TRP A 14 -4.051 1.459 4.691 1.00 0.00 C ATOM 215 O TRP A 14 -5.005 2.205 4.476 1.00 0.00 O ATOM 216 CB TRP A 14 -3.970 -0.877 3.895 1.00 0.00 C ATOM 217 CG TRP A 14 -5.424 -1.056 3.585 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.396 -1.176 4.518 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.087 -1.162 2.289 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.604 -1.375 3.884 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.469 -1.373 2.515 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.642 -1.108 0.950 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.360 -1.529 1.462 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.538 -1.264 -0.098 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.889 -1.478 0.155 1.00 0.00 C ATOM 0 H TRP A 14 -1.625 -0.345 3.775 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.891 0.897 2.640 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.381 -1.580 3.306 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.788 -1.109 4.944 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.249 -1.124 5.587 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.490 -1.508 4.371 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.595 -0.944 0.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.410 -1.689 1.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.184 -1.219 -1.117 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.576 -1.605 -0.669 1.00 0.00 H new ATOM 236 N GLU A 15 -3.443 1.363 5.867 1.00 0.00 N ATOM 237 CA GLU A 15 -3.859 2.153 7.018 1.00 0.00 C ATOM 238 C GLU A 15 -3.660 3.645 6.741 1.00 0.00 C ATOM 239 O GLU A 15 -4.530 4.463 7.055 1.00 0.00 O ATOM 240 CB GLU A 15 -3.060 1.691 8.238 1.00 0.00 C ATOM 241 CG GLU A 15 -3.418 0.223 8.550 1.00 0.00 C ATOM 242 CD GLU A 15 -2.455 -0.344 9.592 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.710 -0.162 10.770 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.472 -0.949 9.193 1.00 0.00 O ATOM 0 H GLU A 15 -2.655 0.741 6.049 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.921 2.005 7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.991 1.784 8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.285 2.324 9.097 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.442 0.161 8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.371 -0.372 7.638 1.00 0.00 H new ATOM 251 N ILE A 16 -2.539 3.984 6.094 1.00 0.00 N ATOM 252 CA ILE A 16 -2.261 5.373 5.710 1.00 0.00 C ATOM 253 C ILE A 16 -3.286 5.789 4.651 1.00 0.00 C ATOM 254 O ILE A 16 -3.798 6.907 4.652 1.00 0.00 O ATOM 255 CB ILE A 16 -0.832 5.474 5.120 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.216 5.133 6.190 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.565 6.891 4.603 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.591 4.904 5.542 1.00 0.00 C ATOM 0 H ILE A 16 -1.813 3.320 5.826 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.329 6.027 6.580 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.759 4.764 4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.280 5.943 6.916 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.089 4.240 6.735 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.443 6.944 4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.288 7.137 3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.660 7.602 5.424 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.322 4.663 6.314 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.526 4.078 4.834 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.901 5.808 5.018 1.00 0.00 H new ATOM 270 N PHE A 17 -3.579 4.836 3.767 1.00 0.00 N ATOM 271 CA PHE A 17 -4.550 5.012 2.687 1.00 0.00 C ATOM 272 C PHE A 17 -5.950 5.223 3.281 1.00 0.00 C ATOM 273 O PHE A 17 -6.779 5.936 2.714 1.00 0.00 O ATOM 274 CB PHE A 17 -4.539 3.732 1.844 1.00 0.00 C ATOM 275 CG PHE A 17 -4.817 3.992 0.385 1.00 0.00 C ATOM 276 CD1 PHE A 17 -6.129 3.963 -0.095 1.00 0.00 C ATOM 277 CD2 PHE A 17 -3.750 4.194 -0.501 1.00 0.00 C ATOM 278 CE1 PHE A 17 -6.377 4.128 -1.456 1.00 0.00 C ATOM 279 CE2 PHE A 17 -3.996 4.372 -1.859 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.309 4.334 -2.340 1.00 0.00 C ATOM 0 H PHE A 17 -3.146 3.913 3.780 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.295 5.879 2.078 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.569 3.245 1.943 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.285 3.039 2.234 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.951 3.813 0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.736 4.212 -0.129 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.390 4.097 -1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.175 4.539 -2.540 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.500 4.464 -3.395 1.00 0.00 H new ATOM 290 N ASN A 18 -6.191 4.568 4.425 1.00 0.00 N ATOM 291 CA ASN A 18 -7.481 4.639 5.119 1.00 0.00 C ATOM 292 C ASN A 18 -7.573 5.844 6.056 1.00 0.00 C ATOM 293 O ASN A 18 -8.613 6.040 6.693 1.00 0.00 O ATOM 294 CB ASN A 18 -7.698 3.359 5.953 1.00 0.00 C ATOM 295 CG ASN A 18 -8.602 2.370 5.221 1.00 0.00 C ATOM 296 OD1 ASN A 18 -9.689 2.731 4.773 1.00 0.00 O ATOM 297 ND2 ASN A 18 -8.213 1.136 5.072 1.00 0.00 N ATOM 0 H ASN A 18 -5.502 3.978 4.891 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.248 4.741 4.351 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.736 2.891 6.162 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.142 3.619 6.914 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.810 0.469 4.584 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.311 0.837 5.444 1.00 0.00 H new ATOM 304 N LEU A 19 -6.508 6.647 6.161 1.00 0.00 N ATOM 305 CA LEU A 19 -6.564 7.795 7.059 1.00 0.00 C ATOM 306 C LEU A 19 -7.505 8.855 6.490 1.00 0.00 C ATOM 307 O LEU A 19 -7.442 9.163 5.298 1.00 0.00 O ATOM 308 CB LEU A 19 -5.178 8.387 7.303 1.00 0.00 C ATOM 309 CG LEU A 19 -4.543 7.747 8.551 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.182 8.359 8.768 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.372 8.021 9.811 1.00 0.00 C ATOM 0 H LEU A 19 -5.631 6.528 5.655 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.947 7.453 8.020 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.543 8.216 6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.253 9.466 7.436 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.488 6.671 8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.720 7.915 9.650 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.555 8.171 7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.286 9.434 8.915 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.892 7.554 10.671 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.441 9.096 9.974 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.373 7.608 9.685 1.00 0.00 H new ATOM 323 N PRO A 20 -8.400 9.389 7.296 1.00 0.00 N ATOM 324 CA PRO A 20 -9.403 10.393 6.843 1.00 0.00 C ATOM 325 C PRO A 20 -8.899 11.840 6.777 1.00 0.00 C ATOM 326 O PRO A 20 -9.730 12.753 6.734 1.00 0.00 O ATOM 327 CB PRO A 20 -10.524 10.274 7.901 1.00 0.00 C ATOM 328 CG PRO A 20 -10.094 9.221 8.870 1.00 0.00 C ATOM 329 CD PRO A 20 -8.590 9.115 8.727 1.00 0.00 C ATOM 0 HA PRO A 20 -9.704 10.184 5.816 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.679 11.226 8.409 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.471 10.005 7.432 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.371 9.491 9.889 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.575 8.268 8.650 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.068 9.838 9.354 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.222 8.128 9.006 1.00 0.00 H new ATOM 337 N ASN A 21 -7.575 12.089 6.787 1.00 0.00 N ATOM 338 CA ASN A 21 -7.127 13.500 6.751 1.00 0.00 C ATOM 339 C ASN A 21 -5.857 13.727 5.936 1.00 0.00 C ATOM 340 O ASN A 21 -5.428 14.872 5.775 1.00 0.00 O ATOM 341 CB ASN A 21 -6.920 14.026 8.178 1.00 0.00 C ATOM 342 CG ASN A 21 -8.225 13.972 8.968 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.377 13.074 9.899 1.00 0.00 O flip ATOM 344 ND2 ASN A 21 -9.131 14.769 8.728 1.00 0.00 N flip ATOM 0 H ASN A 21 -6.837 11.386 6.818 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.922 14.052 6.249 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.159 13.432 8.683 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.552 15.052 8.143 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.012 15.472 7.999 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.001 14.727 9.258 1.00 0.00 H new ATOM 351 N LEU A 22 -5.259 12.665 5.416 1.00 0.00 N ATOM 352 CA LEU A 22 -4.042 12.815 4.618 1.00 0.00 C ATOM 353 C LEU A 22 -4.363 13.247 3.198 1.00 0.00 C ATOM 354 O LEU A 22 -5.422 12.910 2.663 1.00 0.00 O ATOM 355 CB LEU A 22 -3.270 11.504 4.580 1.00 0.00 C ATOM 356 CG LEU A 22 -2.895 11.088 6.001 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.135 9.777 5.948 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.000 12.145 6.646 1.00 0.00 C ATOM 0 H LEU A 22 -5.586 11.705 5.527 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.433 13.587 5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.875 10.728 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.371 11.617 3.974 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.806 10.980 6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.863 9.473 6.959 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.763 9.010 5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.231 9.904 5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.741 11.834 7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.090 12.259 6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.530 13.097 6.683 1.00 0.00 H new ATOM 370 N ASN A 23 -3.429 13.978 2.586 1.00 0.00 N ATOM 371 CA ASN A 23 -3.609 14.433 1.219 1.00 0.00 C ATOM 372 C ASN A 23 -2.966 13.417 0.278 1.00 0.00 C ATOM 373 O ASN A 23 -2.112 12.632 0.700 1.00 0.00 O ATOM 374 CB ASN A 23 -3.023 15.851 1.052 1.00 0.00 C ATOM 375 CG ASN A 23 -1.660 15.830 0.366 1.00 0.00 C ATOM 376 OD1 ASN A 23 -0.652 15.505 0.989 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.579 16.161 -0.889 1.00 0.00 N ATOM 0 H ASN A 23 -2.549 14.262 3.017 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.668 14.502 0.971 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.713 16.462 0.469 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.929 16.322 2.031 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.675 16.152 -1.362 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.419 16.430 -1.401 1.00 0.00 H new ATOM 384 N GLY A 24 -3.397 13.416 -0.981 1.00 0.00 N ATOM 385 CA GLY A 24 -2.884 12.466 -1.967 1.00 0.00 C ATOM 386 C GLY A 24 -1.360 12.353 -1.928 1.00 0.00 C ATOM 387 O GLY A 24 -0.819 11.250 -1.983 1.00 0.00 O ATOM 0 H GLY A 24 -4.099 14.061 -1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.323 11.485 -1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.197 12.776 -2.964 1.00 0.00 H new ATOM 391 N VAL A 25 -0.676 13.492 -1.830 1.00 0.00 N ATOM 392 CA VAL A 25 0.786 13.499 -1.795 1.00 0.00 C ATOM 393 C VAL A 25 1.325 12.879 -0.515 1.00 0.00 C ATOM 394 O VAL A 25 2.261 12.089 -0.577 1.00 0.00 O ATOM 395 CB VAL A 25 1.318 14.923 -1.952 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.850 14.916 -1.858 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.897 15.453 -3.326 1.00 0.00 C ATOM 0 H VAL A 25 -1.106 14.415 -1.774 1.00 0.00 H new ATOM 0 HA VAL A 25 1.133 12.892 -2.631 1.00 0.00 H new ATOM 0 HB VAL A 25 0.914 15.558 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.226 15.933 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.153 14.522 -0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.260 14.288 -2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.269 16.469 -3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.312 14.814 -4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.191 15.453 -3.398 1.00 0.00 H new ATOM 407 N GLN A 26 0.751 13.228 0.641 1.00 0.00 N ATOM 408 CA GLN A 26 1.231 12.665 1.892 1.00 0.00 C ATOM 409 C GLN A 26 1.064 11.156 1.886 1.00 0.00 C ATOM 410 O GLN A 26 1.980 10.431 2.268 1.00 0.00 O ATOM 411 CB GLN A 26 0.500 13.295 3.077 1.00 0.00 C ATOM 412 CG GLN A 26 1.391 14.388 3.690 1.00 0.00 C ATOM 413 CD GLN A 26 0.529 15.494 4.265 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.198 15.233 5.298 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 0.514 16.613 3.755 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.027 13.882 0.730 1.00 0.00 H new ATOM 0 HA GLN A 26 2.293 12.890 1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.449 13.721 2.751 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.268 12.535 3.824 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.019 13.961 4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.059 14.793 2.930 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.093 16.809 2.938 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.077 17.345 4.149 1.00 0.00 H new ATOM 424 N VAL A 27 -0.085 10.684 1.403 1.00 0.00 N ATOM 425 CA VAL A 27 -0.322 9.243 1.321 1.00 0.00 C ATOM 426 C VAL A 27 0.697 8.625 0.366 1.00 0.00 C ATOM 427 O VAL A 27 1.306 7.598 0.670 1.00 0.00 O ATOM 428 CB VAL A 27 -1.750 8.952 0.833 1.00 0.00 C ATOM 429 CG1 VAL A 27 -1.959 7.434 0.744 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.766 9.543 1.823 1.00 0.00 C ATOM 0 H VAL A 27 -0.853 11.266 1.068 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.210 8.805 2.313 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.893 9.403 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.971 7.226 0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.241 7.008 0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.813 6.988 1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.777 9.335 1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.621 9.093 2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.621 10.621 1.893 1.00 0.00 H new ATOM 440 N LYS A 28 0.897 9.292 -0.773 1.00 0.00 N ATOM 441 CA LYS A 28 1.868 8.848 -1.770 1.00 0.00 C ATOM 442 C LYS A 28 3.277 8.871 -1.179 1.00 0.00 C ATOM 443 O LYS A 28 4.104 8.025 -1.503 1.00 0.00 O ATOM 444 CB LYS A 28 1.816 9.755 -3.016 1.00 0.00 C ATOM 445 CG LYS A 28 0.573 9.444 -3.866 1.00 0.00 C ATOM 446 CD LYS A 28 0.239 10.643 -4.774 1.00 0.00 C ATOM 447 CE LYS A 28 1.341 10.855 -5.822 1.00 0.00 C ATOM 448 NZ LYS A 28 2.487 11.589 -5.211 1.00 0.00 N ATOM 0 H LYS A 28 0.397 10.144 -1.026 1.00 0.00 H new ATOM 0 HA LYS A 28 1.617 7.829 -2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.800 10.801 -2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.716 9.611 -3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.751 8.556 -4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.274 9.222 -3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.715 10.473 -5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.127 11.543 -4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.678 9.893 -6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.947 11.418 -6.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.866 12.273 -5.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.163 12.094 -4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.232 10.913 -4.949 1.00 0.00 H new ATOM 462 N ALA A 29 3.529 9.857 -0.317 1.00 0.00 N ATOM 463 CA ALA A 29 4.822 10.021 0.325 1.00 0.00 C ATOM 464 C ALA A 29 5.058 8.933 1.332 1.00 0.00 C ATOM 465 O ALA A 29 6.142 8.362 1.392 1.00 0.00 O ATOM 466 CB ALA A 29 4.882 11.358 1.043 1.00 0.00 C ATOM 0 H ALA A 29 2.840 10.560 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 29 5.587 9.974 -0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.855 11.471 1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.735 12.164 0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.099 11.400 1.800 1.00 0.00 H new ATOM 472 N PHE A 30 4.027 8.636 2.110 1.00 0.00 N ATOM 473 CA PHE A 30 4.124 7.598 3.088 1.00 0.00 C ATOM 474 C PHE A 30 4.345 6.301 2.345 1.00 0.00 C ATOM 475 O PHE A 30 5.159 5.476 2.754 1.00 0.00 O ATOM 476 CB PHE A 30 2.862 7.553 3.940 1.00 0.00 C ATOM 477 CG PHE A 30 2.709 8.843 4.736 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.799 9.372 5.454 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.472 9.517 4.759 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.648 10.553 6.176 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.334 10.696 5.487 1.00 0.00 C ATOM 482 CZ PHE A 30 2.419 11.210 6.193 1.00 0.00 C ATOM 0 H PHE A 30 3.122 9.106 2.072 1.00 0.00 H new ATOM 0 HA PHE A 30 4.955 7.777 3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.990 7.407 3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.905 6.702 4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.751 8.862 5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.630 9.119 4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.485 10.961 6.724 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.385 11.212 5.504 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.307 12.124 6.757 1.00 0.00 H new ATOM 492 N ILE A 31 3.661 6.169 1.197 1.00 0.00 N ATOM 493 CA ILE A 31 3.835 5.007 0.353 1.00 0.00 C ATOM 494 C ILE A 31 5.261 4.990 -0.171 1.00 0.00 C ATOM 495 O ILE A 31 5.927 3.981 -0.125 1.00 0.00 O ATOM 496 CB ILE A 31 2.820 5.004 -0.814 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.462 4.488 -0.289 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.323 4.110 -1.975 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.381 4.611 -1.366 1.00 0.00 C ATOM 0 H ILE A 31 2.991 6.854 0.846 1.00 0.00 H new ATOM 0 HA ILE A 31 3.651 4.108 0.940 1.00 0.00 H new ATOM 0 HB ILE A 31 2.707 6.018 -1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.558 3.447 0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.169 5.056 0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.594 4.122 -2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.277 4.490 -2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.452 3.088 -1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.567 4.242 -0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.272 5.657 -1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.667 4.022 -2.238 1.00 0.00 H new ATOM 511 N ASP A 32 5.723 6.124 -0.651 1.00 0.00 N ATOM 512 CA ASP A 32 7.081 6.213 -1.175 1.00 0.00 C ATOM 513 C ASP A 32 8.108 5.889 -0.102 1.00 0.00 C ATOM 514 O ASP A 32 9.080 5.177 -0.352 1.00 0.00 O ATOM 515 CB ASP A 32 7.334 7.615 -1.751 1.00 0.00 C ATOM 516 CG ASP A 32 6.741 7.738 -3.154 1.00 0.00 C ATOM 517 OD1 ASP A 32 7.037 6.890 -3.982 1.00 0.00 O ATOM 518 OD2 ASP A 32 6.012 8.691 -3.386 1.00 0.00 O ATOM 0 H ASP A 32 5.190 6.993 -0.692 1.00 0.00 H new ATOM 0 HA ASP A 32 7.186 5.476 -1.972 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.893 8.367 -1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.406 7.812 -1.785 1.00 0.00 H new ATOM 523 N SER A 33 7.861 6.391 1.092 1.00 0.00 N ATOM 524 CA SER A 33 8.736 6.138 2.230 1.00 0.00 C ATOM 525 C SER A 33 8.689 4.650 2.564 1.00 0.00 C ATOM 526 O SER A 33 9.700 4.031 2.881 1.00 0.00 O ATOM 527 CB SER A 33 8.274 6.975 3.419 1.00 0.00 C ATOM 528 OG SER A 33 8.349 8.353 3.080 1.00 0.00 O ATOM 0 H SER A 33 7.057 6.981 1.304 1.00 0.00 H new ATOM 0 HA SER A 33 9.762 6.416 1.991 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.252 6.710 3.690 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.898 6.768 4.289 1.00 0.00 H new ATOM 0 HG SER A 33 7.615 8.581 2.472 1.00 0.00 H new ATOM 534 N LEU A 34 7.489 4.096 2.422 1.00 0.00 N ATOM 535 CA LEU A 34 7.225 2.673 2.626 1.00 0.00 C ATOM 536 C LEU A 34 8.046 1.875 1.616 1.00 0.00 C ATOM 537 O LEU A 34 8.790 0.961 1.967 1.00 0.00 O ATOM 538 CB LEU A 34 5.729 2.454 2.370 1.00 0.00 C ATOM 539 CG LEU A 34 4.951 2.300 3.673 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.680 3.150 3.650 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.561 0.847 3.822 1.00 0.00 C ATOM 0 H LEU A 34 6.660 4.629 2.158 1.00 0.00 H new ATOM 0 HA LEU A 34 7.493 2.353 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.329 3.296 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.591 1.564 1.756 1.00 0.00 H new ATOM 0 HG LEU A 34 5.575 2.628 4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.141 3.024 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.946 4.199 3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.045 2.833 2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.003 0.713 4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.940 0.549 2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.459 0.230 3.847 1.00 0.00 H new ATOM 553 N ARG A 35 7.904 2.270 0.362 1.00 0.00 N ATOM 554 CA ARG A 35 8.624 1.652 -0.755 1.00 0.00 C ATOM 555 C ARG A 35 10.135 1.760 -0.545 1.00 0.00 C ATOM 556 O ARG A 35 10.875 0.794 -0.746 1.00 0.00 O ATOM 557 CB ARG A 35 8.255 2.383 -2.048 1.00 0.00 C ATOM 558 CG ARG A 35 6.771 2.189 -2.347 1.00 0.00 C ATOM 559 CD ARG A 35 6.342 3.080 -3.513 1.00 0.00 C ATOM 560 NE ARG A 35 6.938 2.615 -4.752 1.00 0.00 N ATOM 561 CZ ARG A 35 6.571 1.475 -5.324 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.726 0.682 -4.726 1.00 0.00 N ATOM 563 NH2 ARG A 35 7.044 1.165 -6.493 1.00 0.00 N ATOM 0 H ARG A 35 7.285 3.031 0.082 1.00 0.00 H new ATOM 0 HA ARG A 35 8.347 0.600 -0.814 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.480 3.445 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.855 2.003 -2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.576 1.144 -2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.181 2.428 -1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.256 3.076 -3.601 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.643 4.110 -3.322 1.00 0.00 H new ATOM 0 HE ARG A 35 7.661 3.181 -5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.344 0.937 -3.815 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.447 -0.193 -5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.692 1.796 -6.964 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.767 0.291 -6.940 1.00 0.00 H new ATOM 577 N ASP A 36 10.568 2.951 -0.134 1.00 0.00 N ATOM 578 CA ASP A 36 11.981 3.225 0.118 1.00 0.00 C ATOM 579 C ASP A 36 12.469 2.442 1.330 1.00 0.00 C ATOM 580 O ASP A 36 13.589 1.927 1.345 1.00 0.00 O ATOM 581 CB ASP A 36 12.176 4.717 0.359 1.00 0.00 C ATOM 582 CG ASP A 36 13.664 5.053 0.442 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.267 5.255 -0.599 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.180 5.097 1.548 1.00 0.00 O ATOM 0 H ASP A 36 9.954 3.748 0.033 1.00 0.00 H new ATOM 0 HA ASP A 36 12.559 2.916 -0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.713 5.286 -0.447 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.678 5.011 1.283 1.00 0.00 H new ATOM 589 N ASP A 37 11.607 2.367 2.338 1.00 0.00 N ATOM 590 CA ASP A 37 11.919 1.657 3.570 1.00 0.00 C ATOM 591 C ASP A 37 10.668 0.981 4.112 1.00 0.00 C ATOM 592 O ASP A 37 9.864 1.598 4.817 1.00 0.00 O ATOM 593 CB ASP A 37 12.504 2.623 4.614 1.00 0.00 C ATOM 594 CG ASP A 37 13.183 1.849 5.752 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.600 0.886 6.233 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.274 2.236 6.131 1.00 0.00 O ATOM 0 H ASP A 37 10.680 2.793 2.324 1.00 0.00 H new ATOM 0 HA ASP A 37 12.666 0.893 3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.226 3.286 4.138 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.711 3.252 5.018 1.00 0.00 H new ATOM 601 N PRO A 38 10.487 -0.271 3.782 1.00 0.00 N ATOM 602 CA PRO A 38 9.309 -1.048 4.231 1.00 0.00 C ATOM 603 C PRO A 38 9.331 -1.349 5.723 1.00 0.00 C ATOM 604 O PRO A 38 8.282 -1.436 6.359 1.00 0.00 O ATOM 605 CB PRO A 38 9.353 -2.330 3.409 1.00 0.00 C ATOM 606 CG PRO A 38 10.538 -2.256 2.502 1.00 0.00 C ATOM 607 CD PRO A 38 11.391 -1.080 2.950 1.00 0.00 C ATOM 0 HA PRO A 38 8.389 -0.484 4.080 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.427 -3.199 4.062 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.436 -2.443 2.830 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.111 -3.182 2.545 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.220 -2.126 1.468 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.261 -1.413 3.516 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.763 -0.511 2.098 1.00 0.00 H new ATOM 615 N SER A 39 10.526 -1.483 6.280 1.00 0.00 N ATOM 616 CA SER A 39 10.662 -1.739 7.709 1.00 0.00 C ATOM 617 C SER A 39 10.104 -0.539 8.465 1.00 0.00 C ATOM 618 O SER A 39 9.579 -0.661 9.572 1.00 0.00 O ATOM 619 CB SER A 39 12.133 -1.953 8.076 1.00 0.00 C ATOM 620 OG SER A 39 12.692 -2.940 7.219 1.00 0.00 O ATOM 0 H SER A 39 11.408 -1.420 5.772 1.00 0.00 H new ATOM 0 HA SER A 39 10.112 -2.641 7.977 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.684 -1.017 7.980 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.218 -2.267 9.116 1.00 0.00 H new ATOM 0 HG SER A 39 13.634 -3.078 7.450 1.00 0.00 H new ATOM 626 N GLN A 40 10.230 0.622 7.821 1.00 0.00 N ATOM 627 CA GLN A 40 9.757 1.884 8.369 1.00 0.00 C ATOM 628 C GLN A 40 8.256 2.074 8.105 1.00 0.00 C ATOM 629 O GLN A 40 7.681 3.067 8.507 1.00 0.00 O ATOM 630 CB GLN A 40 10.553 3.027 7.713 1.00 0.00 C ATOM 631 CG GLN A 40 10.411 4.333 8.509 1.00 0.00 C ATOM 632 CD GLN A 40 11.244 5.449 7.872 1.00 0.00 C ATOM 633 OE1 GLN A 40 12.099 5.174 6.922 1.00 0.00 O flip ATOM 634 NE2 GLN A 40 11.112 6.611 8.258 1.00 0.00 N flip ATOM 0 H GLN A 40 10.665 0.709 6.902 1.00 0.00 H new ATOM 0 HA GLN A 40 9.907 1.885 9.449 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.605 2.750 7.649 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.201 3.180 6.693 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.363 4.630 8.545 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.733 4.174 9.538 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.446 6.830 8.999 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.669 7.355 7.837 1.00 0.00 H new ATOM 643 N SER A 41 7.626 1.127 7.415 1.00 0.00 N ATOM 644 CA SER A 41 6.202 1.242 7.078 1.00 0.00 C ATOM 645 C SER A 41 5.340 1.601 8.292 1.00 0.00 C ATOM 646 O SER A 41 4.400 2.390 8.180 1.00 0.00 O ATOM 647 CB SER A 41 5.720 -0.100 6.530 1.00 0.00 C ATOM 648 OG SER A 41 5.788 -1.087 7.553 1.00 0.00 O ATOM 0 H SER A 41 8.072 0.274 7.078 1.00 0.00 H new ATOM 0 HA SER A 41 6.100 2.041 6.344 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.697 -0.009 6.166 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.335 -0.399 5.681 1.00 0.00 H new ATOM 0 HG SER A 41 6.651 -1.549 7.505 1.00 0.00 H new ATOM 654 N ALA A 42 5.682 1.043 9.445 1.00 0.00 N ATOM 655 CA ALA A 42 4.956 1.316 10.680 1.00 0.00 C ATOM 656 C ALA A 42 5.134 2.769 11.077 1.00 0.00 C ATOM 657 O ALA A 42 4.222 3.416 11.587 1.00 0.00 O ATOM 658 CB ALA A 42 5.531 0.452 11.788 1.00 0.00 C ATOM 0 H ALA A 42 6.462 0.395 9.552 1.00 0.00 H new ATOM 0 HA ALA A 42 3.898 1.101 10.526 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.996 0.648 12.717 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.424 -0.600 11.522 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.587 0.687 11.922 1.00 0.00 H new ATOM 664 N ASN A 43 6.342 3.248 10.838 1.00 0.00 N ATOM 665 CA ASN A 43 6.726 4.602 11.154 1.00 0.00 C ATOM 666 C ASN A 43 6.015 5.598 10.249 1.00 0.00 C ATOM 667 O ASN A 43 5.679 6.700 10.655 1.00 0.00 O ATOM 668 CB ASN A 43 8.233 4.710 10.962 1.00 0.00 C ATOM 669 CG ASN A 43 8.962 4.525 12.290 1.00 0.00 C ATOM 670 OD1 ASN A 43 8.621 3.636 13.072 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.956 5.311 12.589 1.00 0.00 N ATOM 0 H ASN A 43 7.088 2.697 10.414 1.00 0.00 H new ATOM 0 HA ASN A 43 6.446 4.835 12.181 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.568 3.956 10.250 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.482 5.683 10.538 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.453 5.191 13.471 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.237 6.047 11.941 1.00 0.00 H new ATOM 678 N LEU A 44 5.813 5.181 9.017 1.00 0.00 N ATOM 679 CA LEU A 44 5.160 5.989 7.997 1.00 0.00 C ATOM 680 C LEU A 44 3.699 6.034 8.284 1.00 0.00 C ATOM 681 O LEU A 44 3.037 7.058 8.143 1.00 0.00 O ATOM 682 CB LEU A 44 5.483 5.349 6.660 1.00 0.00 C ATOM 683 CG LEU A 44 7.007 5.260 6.619 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.480 4.335 5.523 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.561 6.655 6.462 1.00 0.00 C ATOM 0 H LEU A 44 6.100 4.260 8.687 1.00 0.00 H new ATOM 0 HA LEU A 44 5.508 7.022 7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.028 4.362 6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.101 5.948 5.834 1.00 0.00 H new ATOM 0 HG LEU A 44 7.376 4.831 7.551 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.569 4.297 5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.082 3.335 5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.131 4.705 4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.650 6.613 6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.188 7.093 5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.246 7.269 7.306 1.00 0.00 H new ATOM 697 N LEU A 45 3.247 4.912 8.779 1.00 0.00 N ATOM 698 CA LEU A 45 1.883 4.777 9.225 1.00 0.00 C ATOM 699 C LEU A 45 1.721 5.696 10.428 1.00 0.00 C ATOM 700 O LEU A 45 0.708 6.362 10.597 1.00 0.00 O ATOM 701 CB LEU A 45 1.609 3.316 9.595 1.00 0.00 C ATOM 702 CG LEU A 45 0.337 3.199 10.442 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.858 3.796 9.690 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.087 1.722 10.746 1.00 0.00 C ATOM 0 H LEU A 45 3.810 4.068 8.885 1.00 0.00 H new ATOM 0 HA LEU A 45 1.171 5.053 8.447 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.504 2.720 8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.457 2.910 10.146 1.00 0.00 H new ATOM 0 HG LEU A 45 0.462 3.751 11.373 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.755 3.706 10.303 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.666 4.848 9.479 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.004 3.259 8.753 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.816 1.622 11.349 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.038 1.174 9.812 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.936 1.315 11.295 1.00 0.00 H new ATOM 716 N ALA A 46 2.777 5.739 11.230 1.00 0.00 N ATOM 717 CA ALA A 46 2.822 6.587 12.407 1.00 0.00 C ATOM 718 C ALA A 46 2.797 8.043 11.993 1.00 0.00 C ATOM 719 O ALA A 46 2.050 8.856 12.535 1.00 0.00 O ATOM 720 CB ALA A 46 4.116 6.336 13.174 1.00 0.00 C ATOM 0 H ALA A 46 3.622 5.188 11.081 1.00 0.00 H new ATOM 0 HA ALA A 46 1.960 6.358 13.033 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.145 6.975 14.057 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.160 5.291 13.481 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.968 6.563 12.534 1.00 0.00 H new ATOM 726 N GLU A 47 3.622 8.335 11.001 1.00 0.00 N ATOM 727 CA GLU A 47 3.734 9.656 10.449 1.00 0.00 C ATOM 728 C GLU A 47 2.415 10.059 9.848 1.00 0.00 C ATOM 729 O GLU A 47 1.998 11.200 9.945 1.00 0.00 O ATOM 730 CB GLU A 47 4.778 9.641 9.345 1.00 0.00 C ATOM 731 CG GLU A 47 6.202 9.714 9.896 1.00 0.00 C ATOM 732 CD GLU A 47 6.348 10.844 10.921 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.034 11.976 10.584 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.763 10.559 12.032 1.00 0.00 O ATOM 0 H GLU A 47 4.234 7.649 10.559 1.00 0.00 H new ATOM 0 HA GLU A 47 4.017 10.357 11.234 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.665 8.733 8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.606 10.482 8.674 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.463 8.763 10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.903 9.871 9.076 1.00 0.00 H new ATOM 741 N ALA A 48 1.768 9.091 9.231 1.00 0.00 N ATOM 742 CA ALA A 48 0.498 9.315 8.615 1.00 0.00 C ATOM 743 C ALA A 48 -0.534 9.585 9.684 1.00 0.00 C ATOM 744 O ALA A 48 -1.303 10.530 9.580 1.00 0.00 O ATOM 745 CB ALA A 48 0.144 8.081 7.823 1.00 0.00 C ATOM 0 H ALA A 48 2.115 8.135 9.149 1.00 0.00 H new ATOM 0 HA ALA A 48 0.530 10.178 7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.823 8.223 7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.906 7.905 7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.093 7.222 8.492 1.00 0.00 H new ATOM 751 N LYS A 49 -0.503 8.772 10.738 1.00 0.00 N ATOM 752 CA LYS A 49 -1.405 8.961 11.862 1.00 0.00 C ATOM 753 C LYS A 49 -1.160 10.344 12.437 1.00 0.00 C ATOM 754 O LYS A 49 -2.080 11.003 12.903 1.00 0.00 O ATOM 755 CB LYS A 49 -1.152 7.895 12.938 1.00 0.00 C ATOM 756 CG LYS A 49 -1.519 6.503 12.399 1.00 0.00 C ATOM 757 CD LYS A 49 -2.926 6.105 12.865 1.00 0.00 C ATOM 758 CE LYS A 49 -3.370 4.834 12.131 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.488 3.695 12.518 1.00 0.00 N ATOM 0 H LYS A 49 0.135 7.982 10.833 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.438 8.866 11.528 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.105 7.912 13.239 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.743 8.117 13.827 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.476 6.504 11.310 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.792 5.768 12.746 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.929 5.935 13.942 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.628 6.915 12.668 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.407 4.604 12.377 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.326 4.991 11.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.792 2.835 12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.504 3.915 12.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.552 3.540 13.544 1.00 0.00 H new ATOM 773 N LYS A 50 0.100 10.781 12.365 1.00 0.00 N ATOM 774 CA LYS A 50 0.482 12.086 12.855 1.00 0.00 C ATOM 775 C LYS A 50 0.011 13.176 11.915 1.00 0.00 C ATOM 776 O LYS A 50 -0.487 14.214 12.352 1.00 0.00 O ATOM 777 CB LYS A 50 2.006 12.148 13.028 1.00 0.00 C ATOM 778 CG LYS A 50 2.423 11.397 14.303 1.00 0.00 C ATOM 779 CD LYS A 50 3.925 11.064 14.251 1.00 0.00 C ATOM 780 CE LYS A 50 4.750 12.351 14.116 1.00 0.00 C ATOM 781 NZ LYS A 50 6.188 12.045 14.351 1.00 0.00 N ATOM 0 H LYS A 50 0.868 10.239 11.968 1.00 0.00 H new ATOM 0 HA LYS A 50 0.005 12.249 13.822 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.497 11.708 12.160 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.332 13.187 13.085 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.207 12.006 15.181 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.842 10.480 14.401 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.218 10.529 15.155 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.129 10.403 13.409 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.616 12.779 13.123 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.403 13.095 14.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.726 12.933 14.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.290 11.517 15.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.554 11.471 13.565 1.00 0.00 H new ATOM 795 N LEU A 51 0.167 12.926 10.624 1.00 0.00 N ATOM 796 CA LEU A 51 -0.247 13.881 9.617 1.00 0.00 C ATOM 797 C LEU A 51 -1.757 13.958 9.577 1.00 0.00 C ATOM 798 O LEU A 51 -2.337 15.036 9.465 1.00 0.00 O ATOM 799 CB LEU A 51 0.293 13.487 8.234 1.00 0.00 C ATOM 800 CG LEU A 51 1.622 14.201 7.936 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.470 15.719 8.113 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.728 13.670 8.861 1.00 0.00 C ATOM 0 H LEU A 51 0.577 12.069 10.253 1.00 0.00 H new ATOM 0 HA LEU A 51 0.161 14.858 9.878 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.439 12.408 8.191 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.440 13.741 7.468 1.00 0.00 H new ATOM 0 HG LEU A 51 1.898 13.998 6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.420 16.207 7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.708 16.091 7.428 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.174 15.938 9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.664 14.183 8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.451 13.850 9.900 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.854 12.599 8.700 1.00 0.00 H new ATOM 814 N ASN A 52 -2.379 12.793 9.688 1.00 0.00 N ATOM 815 CA ASN A 52 -3.816 12.692 9.688 1.00 0.00 C ATOM 816 C ASN A 52 -4.372 13.415 10.895 1.00 0.00 C ATOM 817 O ASN A 52 -5.322 14.187 10.789 1.00 0.00 O ATOM 818 CB ASN A 52 -4.215 11.226 9.754 1.00 0.00 C ATOM 819 CG ASN A 52 -5.725 11.094 9.806 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.372 11.088 8.771 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.325 10.996 10.959 1.00 0.00 N ATOM 0 H ASN A 52 -1.896 11.899 9.780 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.214 13.142 8.778 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.827 10.697 8.884 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.772 10.761 10.634 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.341 10.914 11.000 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.779 11.002 11.820 1.00 0.00 H new ATOM 828 N ASP A 53 -3.749 13.157 12.044 1.00 0.00 N ATOM 829 CA ASP A 53 -4.166 13.787 13.279 1.00 0.00 C ATOM 830 C ASP A 53 -3.947 15.289 13.192 1.00 0.00 C ATOM 831 O ASP A 53 -4.782 16.076 13.632 1.00 0.00 O ATOM 832 CB ASP A 53 -3.396 13.207 14.473 1.00 0.00 C ATOM 833 CG ASP A 53 -3.836 11.765 14.785 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.783 11.285 14.174 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.206 11.156 15.633 1.00 0.00 O ATOM 0 H ASP A 53 -2.959 12.519 12.137 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.227 13.588 13.429 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.327 13.224 14.260 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.556 13.835 15.350 1.00 0.00 H new ATOM 840 N ALA A 54 -2.820 15.672 12.597 1.00 0.00 N ATOM 841 CA ALA A 54 -2.491 17.074 12.422 1.00 0.00 C ATOM 842 C ALA A 54 -3.505 17.727 11.486 1.00 0.00 C ATOM 843 O ALA A 54 -3.912 18.871 11.695 1.00 0.00 O ATOM 844 CB ALA A 54 -1.086 17.203 11.835 1.00 0.00 C ATOM 0 H ALA A 54 -2.122 15.026 12.229 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.522 17.575 13.389 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.842 18.257 11.705 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.365 16.744 12.512 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.048 16.699 10.869 1.00 0.00 H new ATOM 850 N GLN A 55 -3.910 16.973 10.461 1.00 0.00 N ATOM 851 CA GLN A 55 -4.883 17.455 9.486 1.00 0.00 C ATOM 852 C GLN A 55 -6.318 17.208 9.962 1.00 0.00 C ATOM 853 O GLN A 55 -7.276 17.599 9.290 1.00 0.00 O ATOM 854 CB GLN A 55 -4.640 16.743 8.157 1.00 0.00 C ATOM 855 CG GLN A 55 -3.361 17.291 7.512 1.00 0.00 C ATOM 856 CD GLN A 55 -2.941 16.398 6.355 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.513 15.197 6.610 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.006 16.797 5.194 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.577 16.025 10.287 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.758 18.531 9.364 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.548 15.669 8.319 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.490 16.893 7.491 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.530 18.307 7.156 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.563 17.341 8.252 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.342 17.740 4.997 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.724 16.185 4.428 1.00 0.00 H new ATOM 867 N ALA A 56 -6.458 16.563 11.122 1.00 0.00 N ATOM 868 CA ALA A 56 -7.780 16.273 11.678 1.00 0.00 C ATOM 869 C ALA A 56 -8.403 17.533 12.265 1.00 0.00 C ATOM 870 O ALA A 56 -7.701 18.354 12.855 1.00 0.00 O ATOM 871 CB ALA A 56 -7.680 15.192 12.761 1.00 0.00 C ATOM 0 H ALA A 56 -5.678 16.234 11.691 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.415 15.909 10.870 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.672 14.988 13.164 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.270 14.280 12.328 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.027 15.539 13.562 1.00 0.00 H new ATOM 981 N PHE B 5 -10.242 -11.989 1.621 1.00 0.00 N ATOM 982 CA PHE B 5 -8.955 -11.576 1.096 1.00 0.00 C ATOM 983 C PHE B 5 -8.421 -10.351 1.827 1.00 0.00 C ATOM 984 O PHE B 5 -7.463 -9.758 1.383 1.00 0.00 O ATOM 985 CB PHE B 5 -9.086 -11.268 -0.401 1.00 0.00 C ATOM 986 CG PHE B 5 -9.126 -12.566 -1.159 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.206 -13.431 -0.984 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.080 -12.910 -2.022 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.244 -14.648 -1.669 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.117 -14.123 -2.712 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.198 -14.993 -2.534 1.00 0.00 C ATOM 0 HA PHE B 5 -8.249 -12.393 1.248 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -9.992 -10.692 -0.590 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.246 -10.660 -0.737 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.013 -13.160 -0.319 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.245 -12.238 -2.154 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.078 -15.321 -1.532 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.313 -14.389 -3.382 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.226 -15.933 -3.065 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.018 -9.991 2.962 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.528 -8.846 3.737 1.00 0.00 C ATOM 1003 C ASN B 6 -7.099 -9.124 4.160 1.00 0.00 C ATOM 1004 O ASN B 6 -6.261 -8.232 4.170 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.430 -8.595 4.962 1.00 0.00 C ATOM 1006 CG ASN B 6 -9.395 -9.767 5.950 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.183 -10.981 5.524 1.00 0.00 O flip ATOM 1008 ND2 ASN B 6 -9.574 -9.564 7.150 1.00 0.00 N flip ATOM 0 H ASN B 6 -9.828 -10.464 3.363 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.554 -7.945 3.124 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -9.109 -7.684 5.468 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -10.455 -8.431 4.630 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -9.740 -8.616 7.488 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -9.556 -10.344 7.807 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.840 -10.391 4.454 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.519 -10.854 4.833 1.00 0.00 C ATOM 1017 C LYS B 7 -4.622 -10.888 3.596 1.00 0.00 C ATOM 1018 O LYS B 7 -3.458 -10.490 3.640 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.662 -12.251 5.456 1.00 0.00 C ATOM 1020 CG LYS B 7 -6.123 -13.277 4.407 1.00 0.00 C ATOM 1021 CD LYS B 7 -6.515 -14.588 5.100 1.00 0.00 C ATOM 1022 CE LYS B 7 -6.840 -15.657 4.050 1.00 0.00 C ATOM 1023 NZ LYS B 7 -5.578 -16.280 3.562 1.00 0.00 N ATOM 0 H LYS B 7 -7.546 -11.127 4.435 1.00 0.00 H new ATOM 0 HA LYS B 7 -5.062 -10.184 5.561 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -4.708 -12.563 5.881 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.380 -12.216 6.276 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -6.971 -12.883 3.848 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -5.324 -13.460 3.688 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -5.701 -14.929 5.739 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -7.379 -14.425 5.745 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -7.490 -16.418 4.481 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -7.382 -15.210 3.217 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -5.803 -17.123 2.996 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -5.058 -15.597 2.974 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -4.990 -16.556 4.374 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.209 -11.364 2.498 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.527 -11.471 1.213 1.00 0.00 C ATOM 1039 C GLU B 8 -4.269 -10.091 0.614 1.00 0.00 C ATOM 1040 O GLU B 8 -3.269 -9.873 -0.076 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.414 -12.284 0.250 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.558 -13.730 0.754 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.183 -14.388 0.903 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.489 -14.501 -0.094 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -3.848 -14.773 2.011 1.00 0.00 O ATOM 0 H GLU B 8 -6.176 -11.687 2.477 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.567 -11.965 1.363 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.397 -11.820 0.169 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.977 -12.281 -0.749 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.076 -13.737 1.713 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.169 -14.305 0.058 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.196 -9.175 0.875 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.118 -7.818 0.366 1.00 0.00 C ATOM 1054 C ARG B 9 -3.891 -7.119 0.928 1.00 0.00 C ATOM 1055 O ARG B 9 -3.177 -6.422 0.215 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.368 -7.040 0.789 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.480 -5.743 -0.018 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.214 -4.676 0.798 1.00 0.00 C ATOM 1059 NE ARG B 9 -8.373 -5.245 1.468 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.344 -4.476 1.937 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.263 -3.990 3.143 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -10.374 -4.201 1.191 1.00 0.00 N ATOM 0 H ARG B 9 -6.021 -9.357 1.446 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.050 -7.854 -0.721 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.256 -7.652 0.633 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.321 -6.812 1.854 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.486 -5.386 -0.287 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -7.014 -5.930 -0.950 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -6.537 -4.246 1.536 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -7.529 -3.864 0.143 1.00 0.00 H new ATOM 0 HE ARG B 9 -8.439 -6.257 1.579 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -8.452 -4.202 3.725 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.010 -3.398 3.505 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -10.434 -4.578 0.245 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -11.122 -3.609 1.552 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.664 -7.326 2.224 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.535 -6.718 2.919 1.00 0.00 C ATOM 1078 C VAL B 10 -1.229 -7.129 2.252 1.00 0.00 C ATOM 1079 O VAL B 10 -0.302 -6.331 2.132 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.519 -7.163 4.390 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.476 -6.354 5.164 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -3.919 -7.011 5.026 1.00 0.00 C ATOM 0 H VAL B 10 -4.252 -7.914 2.815 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.639 -5.634 2.872 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.249 -8.218 4.436 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.468 -6.673 6.206 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.491 -6.518 4.727 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.725 -5.294 5.111 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -3.883 -7.332 6.067 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.229 -5.967 4.979 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.635 -7.627 4.481 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.173 -8.385 1.823 1.00 0.00 N ATOM 1093 CA ILE B 11 0.014 -8.914 1.167 1.00 0.00 C ATOM 1094 C ILE B 11 0.191 -8.280 -0.211 1.00 0.00 C ATOM 1095 O ILE B 11 1.313 -7.964 -0.600 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.078 -10.441 1.067 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.465 -10.999 2.463 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.281 -10.999 0.600 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.277 -12.304 2.784 1.00 0.00 C ATOM 0 H ILE B 11 -1.936 -9.055 1.918 1.00 0.00 H new ATOM 0 HA ILE B 11 0.891 -8.663 1.764 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.836 -10.742 0.343 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.238 -10.255 3.227 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.540 -11.175 2.498 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.223 -12.085 0.527 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.529 -10.582 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.053 -10.725 1.319 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.023 -12.660 3.770 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.030 -13.057 2.035 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.352 -12.123 2.775 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.920 -8.066 -0.936 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.852 -7.435 -2.248 1.00 0.00 C ATOM 1113 C ALA B 12 -0.373 -6.027 -2.080 1.00 0.00 C ATOM 1114 O ALA B 12 0.569 -5.620 -2.735 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.234 -7.423 -2.889 1.00 0.00 C ATOM 0 H ALA B 12 -1.860 -8.320 -0.634 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.167 -7.992 -2.887 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.176 -6.950 -3.869 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.592 -8.446 -3.000 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -2.924 -6.864 -2.257 1.00 0.00 H new ATOM 1121 N ILE B 13 -0.980 -5.316 -1.140 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.574 -3.952 -0.855 1.00 0.00 C ATOM 1123 C ILE B 13 0.895 -3.985 -0.500 1.00 0.00 C ATOM 1124 O ILE B 13 1.644 -3.091 -0.835 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.406 -3.412 0.319 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.875 -3.481 -0.041 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.081 -1.948 0.593 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.725 -3.419 1.213 1.00 0.00 C ATOM 0 H ILE B 13 -1.750 -5.660 -0.567 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.735 -3.299 -1.713 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.175 -4.014 1.198 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.133 -2.656 -0.705 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.081 -4.404 -0.583 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.684 -1.592 1.428 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -0.024 -1.850 0.841 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.303 -1.354 -0.294 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.779 -3.469 0.941 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.477 -4.259 1.862 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.530 -2.484 1.739 1.00 0.00 H new ATOM 1140 N GLY B 14 1.293 -5.060 0.151 1.00 0.00 N ATOM 1141 CA GLY B 14 2.679 -5.252 0.529 1.00 0.00 C ATOM 1142 C GLY B 14 3.570 -5.526 -0.679 1.00 0.00 C ATOM 1143 O GLY B 14 4.686 -5.027 -0.753 1.00 0.00 O ATOM 0 H GLY B 14 0.671 -5.819 0.431 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.038 -4.365 1.050 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.752 -6.084 1.229 1.00 0.00 H new ATOM 1147 N GLU B 15 3.082 -6.333 -1.615 1.00 0.00 N ATOM 1148 CA GLU B 15 3.866 -6.685 -2.786 1.00 0.00 C ATOM 1149 C GLU B 15 4.006 -5.504 -3.731 1.00 0.00 C ATOM 1150 O GLU B 15 5.070 -5.291 -4.309 1.00 0.00 O ATOM 1151 CB GLU B 15 3.229 -7.886 -3.490 1.00 0.00 C ATOM 1152 CG GLU B 15 4.325 -8.801 -4.060 1.00 0.00 C ATOM 1153 CD GLU B 15 5.249 -9.328 -2.950 1.00 0.00 C ATOM 1154 OE1 GLU B 15 4.767 -9.588 -1.857 1.00 0.00 O ATOM 1155 OE2 GLU B 15 6.434 -9.455 -3.211 1.00 0.00 O ATOM 0 H GLU B 15 2.153 -6.752 -1.583 1.00 0.00 H new ATOM 0 HA GLU B 15 4.871 -6.959 -2.465 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.608 -8.442 -2.788 1.00 0.00 H new ATOM 0 HB3 GLU B 15 2.576 -7.544 -4.292 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.865 -9.640 -4.582 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.913 -8.252 -4.795 1.00 0.00 H new ATOM 1162 N ILE B 16 2.923 -4.745 -3.892 1.00 0.00 N ATOM 1163 CA ILE B 16 2.953 -3.580 -4.797 1.00 0.00 C ATOM 1164 C ILE B 16 4.028 -2.610 -4.345 1.00 0.00 C ATOM 1165 O ILE B 16 4.895 -2.196 -5.115 1.00 0.00 O ATOM 1166 CB ILE B 16 1.609 -2.843 -4.763 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.476 -3.885 -4.698 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.484 -1.916 -5.994 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.488 -3.748 -5.830 1.00 0.00 C ATOM 0 H ILE B 16 2.031 -4.903 -3.424 1.00 0.00 H new ATOM 0 HA ILE B 16 3.157 -3.938 -5.806 1.00 0.00 H new ATOM 0 HB ILE B 16 1.540 -2.208 -3.879 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.906 -4.887 -4.709 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.059 -3.778 -3.754 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.526 -1.396 -5.962 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.294 -1.186 -5.984 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.544 -2.511 -6.905 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.267 -4.505 -5.738 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.941 -2.757 -5.805 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.039 -3.882 -6.775 1.00 0.00 H new ATOM 1181 N MET B 17 3.950 -2.287 -3.069 1.00 0.00 N ATOM 1182 CA MET B 17 4.897 -1.392 -2.418 1.00 0.00 C ATOM 1183 C MET B 17 6.324 -1.931 -2.574 1.00 0.00 C ATOM 1184 O MET B 17 7.270 -1.160 -2.741 1.00 0.00 O ATOM 1185 CB MET B 17 4.488 -1.266 -0.960 1.00 0.00 C ATOM 1186 CG MET B 17 3.038 -0.757 -0.908 1.00 0.00 C ATOM 1187 SD MET B 17 2.984 0.971 -1.385 1.00 0.00 S ATOM 1188 CE MET B 17 3.880 1.569 0.046 1.00 0.00 C ATOM 0 H MET B 17 3.223 -2.639 -2.446 1.00 0.00 H new ATOM 0 HA MET B 17 4.884 -0.404 -2.878 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.570 -2.230 -0.458 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.151 -0.577 -0.438 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.411 -1.348 -1.576 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.636 -0.879 0.098 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.290 2.334 0.551 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.064 0.742 0.732 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.831 1.995 -0.272 1.00 0.00 H new ATOM 1198 N ARG B 18 6.458 -3.264 -2.563 1.00 0.00 N ATOM 1199 CA ARG B 18 7.756 -3.909 -2.747 1.00 0.00 C ATOM 1200 C ARG B 18 8.271 -3.753 -4.178 1.00 0.00 C ATOM 1201 O ARG B 18 9.475 -3.582 -4.379 1.00 0.00 O ATOM 1202 CB ARG B 18 7.663 -5.376 -2.391 1.00 0.00 C ATOM 1203 CG ARG B 18 7.822 -5.529 -0.878 1.00 0.00 C ATOM 1204 CD ARG B 18 8.657 -6.759 -0.595 1.00 0.00 C ATOM 1205 NE ARG B 18 7.980 -7.962 -1.078 1.00 0.00 N ATOM 1206 CZ ARG B 18 8.503 -9.168 -0.903 1.00 0.00 C ATOM 1207 NH1 ARG B 18 8.455 -9.735 0.268 1.00 0.00 N ATOM 1208 NH2 ARG B 18 9.062 -9.785 -1.903 1.00 0.00 N ATOM 0 H ARG B 18 5.682 -3.912 -2.429 1.00 0.00 H new ATOM 0 HA ARG B 18 8.465 -3.416 -2.082 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.704 -5.782 -2.712 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.438 -5.940 -2.910 1.00 0.00 H new ATOM 0 HG2 ARG B 18 8.300 -4.644 -0.458 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.845 -5.619 -0.403 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.630 -6.664 -1.077 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.839 -6.843 0.476 1.00 0.00 H new ATOM 0 HE ARG B 18 7.086 -7.871 -1.560 1.00 0.00 H new ATOM 0 HH11 ARG B 18 8.015 -9.252 1.051 1.00 0.00 H new ATOM 0 HH12 ARG B 18 8.857 -10.663 0.402 1.00 0.00 H new ATOM 0 HH21 ARG B 18 9.098 -9.341 -2.821 1.00 0.00 H new ATOM 0 HH22 ARG B 18 9.465 -10.713 -1.769 1.00 0.00 H new ATOM 1222 N LEU B 19 7.362 -3.805 -5.170 1.00 0.00 N ATOM 1223 CA LEU B 19 7.767 -3.652 -6.575 1.00 0.00 C ATOM 1224 C LEU B 19 8.574 -2.360 -6.716 1.00 0.00 C ATOM 1225 O LEU B 19 8.035 -1.271 -6.517 1.00 0.00 O ATOM 1226 CB LEU B 19 6.550 -3.577 -7.507 1.00 0.00 C ATOM 1227 CG LEU B 19 5.740 -4.881 -7.541 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.429 -4.603 -8.260 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.477 -5.967 -8.319 1.00 0.00 C ATOM 0 H LEU B 19 6.362 -3.949 -5.027 1.00 0.00 H new ATOM 0 HA LEU B 19 8.362 -4.521 -6.857 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.902 -2.762 -7.185 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.886 -3.338 -8.516 1.00 0.00 H new ATOM 0 HG LEU B 19 5.582 -5.222 -6.518 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.834 -5.516 -8.298 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.876 -3.831 -7.724 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.636 -4.263 -9.275 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.879 -6.879 -8.326 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.641 -5.633 -9.343 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.438 -6.167 -7.844 1.00 0.00 H new ATOM 1241 N PRO B 20 9.853 -2.456 -7.011 1.00 0.00 N ATOM 1242 CA PRO B 20 10.744 -1.268 -7.125 1.00 0.00 C ATOM 1243 C PRO B 20 10.583 -0.456 -8.417 1.00 0.00 C ATOM 1244 O PRO B 20 11.270 0.555 -8.582 1.00 0.00 O ATOM 1245 CB PRO B 20 12.160 -1.860 -7.031 1.00 0.00 C ATOM 1246 CG PRO B 20 12.019 -3.335 -6.855 1.00 0.00 C ATOM 1247 CD PRO B 20 10.605 -3.694 -7.269 1.00 0.00 C ATOM 0 HA PRO B 20 10.503 -0.545 -6.346 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.730 -1.634 -7.932 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.703 -1.424 -6.192 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.747 -3.868 -7.466 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.202 -3.620 -5.819 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.554 -3.984 -8.318 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.216 -4.530 -6.688 1.00 0.00 H new ATOM 1255 N ASN B 21 9.709 -0.887 -9.334 1.00 0.00 N ATOM 1256 CA ASN B 21 9.537 -0.158 -10.595 1.00 0.00 C ATOM 1257 C ASN B 21 8.201 0.586 -10.653 1.00 0.00 C ATOM 1258 O ASN B 21 8.013 1.437 -11.527 1.00 0.00 O ATOM 1259 CB ASN B 21 9.651 -1.119 -11.781 1.00 0.00 C ATOM 1260 CG ASN B 21 10.965 -1.899 -11.721 1.00 0.00 C ATOM 1261 OD1 ASN B 21 10.986 -3.146 -12.099 1.00 0.00 O flip ATOM 1262 ND2 ASN B 21 11.998 -1.358 -11.325 1.00 0.00 N flip ATOM 0 H ASN B 21 9.123 -1.716 -9.232 1.00 0.00 H new ATOM 0 HA ASN B 21 10.331 0.587 -10.650 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.810 -1.813 -11.775 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.597 -0.560 -12.715 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.981 -0.382 -11.029 1.00 0.00 H new ATOM 0 HD22 ASN B 21 12.870 -1.886 -11.293 1.00 0.00 H new ATOM 1269 N LEU B 22 7.270 0.281 -9.735 1.00 0.00 N ATOM 1270 CA LEU B 22 5.973 0.966 -9.744 1.00 0.00 C ATOM 1271 C LEU B 22 6.084 2.407 -9.274 1.00 0.00 C ATOM 1272 O LEU B 22 7.014 2.790 -8.562 1.00 0.00 O ATOM 1273 CB LEU B 22 4.934 0.266 -8.851 1.00 0.00 C ATOM 1274 CG LEU B 22 4.598 -1.128 -9.360 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.351 -1.643 -8.638 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.316 -1.063 -10.845 1.00 0.00 C ATOM 0 H LEU B 22 7.387 -0.415 -8.998 1.00 0.00 H new ATOM 0 HA LEU B 22 5.646 0.936 -10.783 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.317 0.199 -7.833 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.026 0.867 -8.811 1.00 0.00 H new ATOM 0 HG LEU B 22 5.437 -1.797 -9.172 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.107 -2.642 -9.000 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.542 -1.683 -7.566 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.514 -0.972 -8.833 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.075 -2.060 -11.214 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.474 -0.395 -11.027 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.196 -0.687 -11.366 1.00 0.00 H new ATOM 1288 N ASN B 23 5.089 3.180 -9.679 1.00 0.00 N ATOM 1289 CA ASN B 23 4.980 4.579 -9.321 1.00 0.00 C ATOM 1290 C ASN B 23 4.170 4.691 -8.030 1.00 0.00 C ATOM 1291 O ASN B 23 3.369 3.807 -7.729 1.00 0.00 O ATOM 1292 CB ASN B 23 4.245 5.273 -10.475 1.00 0.00 C ATOM 1293 CG ASN B 23 4.042 6.744 -10.228 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.349 7.126 -9.304 1.00 0.00 O ATOM 1295 ND2 ASN B 23 4.568 7.582 -11.045 1.00 0.00 N ATOM 0 H ASN B 23 4.328 2.847 -10.271 1.00 0.00 H new ATOM 0 HA ASN B 23 5.955 5.039 -9.160 1.00 0.00 H new ATOM 0 HB2 ASN B 23 4.812 5.137 -11.396 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.276 4.796 -10.624 1.00 0.00 H new ATOM 0 HD21 ASN B 23 4.407 8.582 -10.924 1.00 0.00 H new ATOM 0 HD22 ASN B 23 5.147 7.248 -11.816 1.00 0.00 H new ATOM 1302 N SER B 24 4.352 5.782 -7.282 1.00 0.00 N ATOM 1303 CA SER B 24 3.590 5.971 -6.046 1.00 0.00 C ATOM 1304 C SER B 24 2.104 6.015 -6.386 1.00 0.00 C ATOM 1305 O SER B 24 1.281 5.379 -5.733 1.00 0.00 O ATOM 1306 CB SER B 24 4.014 7.274 -5.363 1.00 0.00 C ATOM 1307 OG SER B 24 3.553 8.387 -6.117 1.00 0.00 O ATOM 0 H SER B 24 5.006 6.533 -7.504 1.00 0.00 H new ATOM 0 HA SER B 24 3.785 5.145 -5.363 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.607 7.314 -4.353 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.100 7.310 -5.271 1.00 0.00 H new ATOM 0 HG SER B 24 3.826 9.218 -5.674 1.00 0.00 H new ATOM 1313 N LEU B 25 1.801 6.746 -7.455 1.00 0.00 N ATOM 1314 CA LEU B 25 0.446 6.878 -7.964 1.00 0.00 C ATOM 1315 C LEU B 25 -0.040 5.558 -8.537 1.00 0.00 C ATOM 1316 O LEU B 25 -1.202 5.196 -8.362 1.00 0.00 O ATOM 1317 CB LEU B 25 0.396 7.956 -9.055 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.293 9.193 -8.525 1.00 0.00 C ATOM 1319 CD1 LEU B 25 0.043 10.400 -9.413 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.792 8.928 -8.517 1.00 0.00 C ATOM 0 H LEU B 25 2.495 7.265 -7.993 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.203 7.166 -7.137 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.406 8.203 -9.381 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.137 7.578 -9.928 1.00 0.00 H new ATOM 0 HG LEU B 25 0.047 9.419 -7.514 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.457 11.288 -9.025 1.00 0.00 H new ATOM 0 HD12 LEU B 25 1.121 10.562 -9.414 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.296 10.208 -10.431 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.315 9.806 -8.138 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.129 8.714 -9.531 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -2.007 8.073 -7.876 1.00 0.00 H new ATOM 1332 N GLN B 26 0.859 4.835 -9.210 1.00 0.00 N ATOM 1333 CA GLN B 26 0.497 3.541 -9.784 1.00 0.00 C ATOM 1334 C GLN B 26 0.140 2.581 -8.667 1.00 0.00 C ATOM 1335 O GLN B 26 -0.834 1.838 -8.754 1.00 0.00 O ATOM 1336 CB GLN B 26 1.663 2.951 -10.576 1.00 0.00 C ATOM 1337 CG GLN B 26 1.681 3.480 -12.016 1.00 0.00 C ATOM 1338 CD GLN B 26 2.913 2.950 -12.739 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.748 2.175 -12.102 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.119 3.244 -13.915 1.00 0.00 N flip ATOM 0 H GLN B 26 1.826 5.119 -9.368 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.351 3.688 -10.453 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.603 3.199 -10.083 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.586 1.864 -10.586 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.777 3.169 -12.540 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.689 4.570 -12.014 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.465 3.850 -14.411 1.00 0.00 H new ATOM 0 HE22 GLN B 26 3.943 2.882 -14.394 1.00 0.00 H new ATOM 1349 N VAL B 27 0.935 2.631 -7.607 1.00 0.00 N ATOM 1350 CA VAL B 27 0.713 1.793 -6.448 1.00 0.00 C ATOM 1351 C VAL B 27 -0.607 2.170 -5.824 1.00 0.00 C ATOM 1352 O VAL B 27 -1.406 1.305 -5.506 1.00 0.00 O ATOM 1353 CB VAL B 27 1.878 1.934 -5.467 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.589 1.156 -4.173 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.134 1.370 -6.141 1.00 0.00 C ATOM 0 H VAL B 27 1.743 3.249 -7.531 1.00 0.00 H new ATOM 0 HA VAL B 27 0.668 0.743 -6.738 1.00 0.00 H new ATOM 0 HB VAL B 27 2.020 2.983 -5.207 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.428 1.267 -3.486 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.685 1.548 -3.707 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.449 0.101 -4.407 1.00 0.00 H new ATOM 0 HG21 VAL B 27 3.982 1.458 -5.462 1.00 0.00 H new ATOM 0 HG22 VAL B 27 2.974 0.320 -6.388 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.340 1.930 -7.053 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.853 3.469 -5.723 1.00 0.00 N ATOM 1366 CA VAL B 28 -2.114 3.952 -5.208 1.00 0.00 C ATOM 1367 C VAL B 28 -3.231 3.461 -6.134 1.00 0.00 C ATOM 1368 O VAL B 28 -4.323 3.137 -5.684 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.110 5.487 -5.132 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.478 5.969 -4.640 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -1.012 5.967 -4.161 1.00 0.00 C ATOM 0 H VAL B 28 -0.195 4.200 -5.991 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.275 3.571 -4.199 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.908 5.896 -6.122 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.482 7.058 -4.584 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.251 5.639 -5.334 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.676 5.554 -3.652 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.018 7.056 -4.115 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.202 5.561 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.039 5.624 -4.514 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.924 3.388 -7.434 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.879 2.916 -8.429 1.00 0.00 C ATOM 1383 C ALA B 29 -4.288 1.496 -8.090 1.00 0.00 C ATOM 1384 O ALA B 29 -5.471 1.141 -8.120 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.227 2.938 -9.823 1.00 0.00 C ATOM 0 H ALA B 29 -2.016 3.652 -7.817 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.755 3.564 -8.430 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.943 2.585 -10.565 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.924 3.956 -10.067 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.352 2.289 -9.826 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.284 0.695 -7.755 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.493 -0.676 -7.398 1.00 0.00 C ATOM 1393 C PHE B 30 -4.135 -0.781 -6.010 1.00 0.00 C ATOM 1394 O PHE B 30 -5.084 -1.535 -5.831 1.00 0.00 O ATOM 1395 CB PHE B 30 -2.144 -1.411 -7.463 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.616 -1.400 -8.898 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.396 -1.894 -9.970 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.347 -0.851 -9.172 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.901 -1.835 -11.273 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.126 -0.794 -10.475 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.647 -1.283 -11.527 1.00 0.00 C ATOM 0 H PHE B 30 -2.308 0.991 -7.727 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.183 -1.145 -8.099 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.426 -0.931 -6.798 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.262 -2.438 -7.117 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.372 -2.316 -9.780 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.260 -0.473 -8.363 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.493 -2.220 -12.090 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.098 -0.369 -10.675 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.274 -1.234 -12.539 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.647 0.012 -5.042 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.209 0.003 -3.686 1.00 0.00 C ATOM 1413 C ILE B 31 -5.690 0.360 -3.750 1.00 0.00 C ATOM 1414 O ILE B 31 -6.540 -0.327 -3.182 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.456 1.010 -2.793 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.996 0.560 -2.595 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -4.130 1.104 -1.419 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.183 1.721 -2.012 1.00 0.00 C ATOM 0 H ILE B 31 -2.871 0.661 -5.173 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.097 -0.992 -3.255 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.478 1.983 -3.284 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.956 -0.299 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.569 0.243 -3.546 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.590 1.818 -0.797 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.161 1.436 -1.541 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -4.119 0.125 -0.941 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.149 1.406 -1.870 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.214 2.567 -2.698 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.607 2.016 -1.052 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.980 1.430 -4.476 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.344 1.893 -4.664 1.00 0.00 C ATOM 1432 C ASN B 32 -8.202 0.811 -5.329 1.00 0.00 C ATOM 1433 O ASN B 32 -9.413 0.753 -5.107 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.337 3.157 -5.531 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.667 3.903 -5.438 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.603 3.462 -4.770 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.795 5.027 -6.076 1.00 0.00 N ATOM 0 H ASN B 32 -5.278 1.999 -4.949 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.774 2.117 -3.688 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.527 3.813 -5.214 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -7.141 2.887 -6.569 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.672 5.546 -6.024 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -8.019 5.391 -6.629 1.00 0.00 H new ATOM 1444 N SER B 33 -7.573 -0.050 -6.143 1.00 0.00 N ATOM 1445 CA SER B 33 -8.296 -1.104 -6.812 1.00 0.00 C ATOM 1446 C SER B 33 -8.572 -2.242 -5.840 1.00 0.00 C ATOM 1447 O SER B 33 -9.596 -2.909 -5.950 1.00 0.00 O ATOM 1448 CB SER B 33 -7.532 -1.559 -8.041 1.00 0.00 C ATOM 1449 OG SER B 33 -7.837 -0.696 -9.128 1.00 0.00 O ATOM 0 H SER B 33 -6.573 -0.025 -6.343 1.00 0.00 H new ATOM 0 HA SER B 33 -9.262 -0.732 -7.155 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.460 -1.548 -7.842 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.799 -2.586 -8.290 1.00 0.00 H new ATOM 0 HG SER B 33 -7.226 0.070 -9.119 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.687 -2.431 -4.845 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.936 -3.461 -3.832 1.00 0.00 C ATOM 1457 C LEU B 34 -9.197 -3.025 -3.102 1.00 0.00 C ATOM 1458 O LEU B 34 -10.108 -3.814 -2.861 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.788 -3.586 -2.819 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.424 -3.405 -3.494 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.318 -3.645 -2.493 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.255 -4.383 -4.630 1.00 0.00 C ATOM 0 H LEU B 34 -6.823 -1.902 -4.725 1.00 0.00 H new ATOM 0 HA LEU B 34 -8.030 -4.435 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.910 -2.839 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.831 -4.563 -2.337 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.373 -2.387 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.352 -3.515 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.410 -2.934 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.394 -4.660 -2.103 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.280 -4.236 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.325 -5.401 -4.247 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.038 -4.219 -5.371 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.239 -1.718 -2.809 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.400 -1.097 -2.165 1.00 0.00 C ATOM 1476 C ARG B 35 -11.638 -1.369 -3.020 1.00 0.00 C ATOM 1477 O ARG B 35 -12.694 -1.746 -2.510 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.187 0.430 -2.089 1.00 0.00 C ATOM 1479 CG ARG B 35 -9.909 0.903 -0.649 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.498 1.499 -0.548 1.00 0.00 C ATOM 1481 NE ARG B 35 -7.968 1.330 0.804 1.00 0.00 N ATOM 1482 CZ ARG B 35 -8.237 2.187 1.779 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -9.361 2.847 1.799 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -7.369 2.361 2.725 1.00 0.00 N ATOM 0 H ARG B 35 -8.478 -1.070 -3.010 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.527 -1.506 -1.163 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.352 0.712 -2.731 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -11.071 0.939 -2.474 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -10.648 1.648 -0.355 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.008 0.066 0.042 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -7.839 1.013 -1.267 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.525 2.558 -0.805 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.372 0.527 1.004 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.048 2.707 1.058 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -9.554 3.503 2.556 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -6.491 1.842 2.714 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -7.563 3.017 3.481 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.470 -1.183 -4.332 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.542 -1.410 -5.297 1.00 0.00 C ATOM 1500 C ASP B 36 -12.933 -2.888 -5.341 1.00 0.00 C ATOM 1501 O ASP B 36 -14.111 -3.224 -5.471 1.00 0.00 O ATOM 1502 CB ASP B 36 -12.078 -0.957 -6.690 1.00 0.00 C ATOM 1503 CG ASP B 36 -13.215 -1.115 -7.700 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -14.036 -0.217 -7.785 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -13.248 -2.135 -8.370 1.00 0.00 O ATOM 0 H ASP B 36 -10.593 -0.873 -4.750 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.414 -0.833 -4.990 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.755 0.084 -6.654 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -11.217 -1.547 -7.005 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.926 -3.755 -5.244 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.142 -5.200 -5.288 1.00 0.00 C ATOM 1512 C ASP B 37 -11.031 -5.937 -4.549 1.00 0.00 C ATOM 1513 O ASP B 37 -9.975 -6.234 -5.116 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.207 -5.675 -6.748 1.00 0.00 C ATOM 1515 CG ASP B 37 -13.660 -5.855 -7.182 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -14.209 -6.915 -6.920 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -14.203 -4.935 -7.770 1.00 0.00 O ATOM 0 H ASP B 37 -10.950 -3.480 -5.134 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.088 -5.422 -4.794 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.714 -4.950 -7.396 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -11.669 -6.617 -6.856 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.261 -6.246 -3.296 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.277 -6.977 -2.462 1.00 0.00 C ATOM 1524 C PRO B 38 -10.112 -8.424 -2.918 1.00 0.00 C ATOM 1525 O PRO B 38 -9.067 -9.040 -2.698 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.838 -6.914 -1.042 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.117 -6.139 -1.088 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.489 -5.931 -2.549 1.00 0.00 C ATOM 0 HA PRO B 38 -9.285 -6.532 -2.535 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.014 -7.918 -0.656 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.125 -6.435 -0.371 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -12.908 -6.678 -0.566 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.999 -5.179 -0.584 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.311 -6.583 -2.845 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.813 -4.907 -2.733 1.00 0.00 H new ATOM 1536 N SER B 39 -11.152 -8.953 -3.570 1.00 0.00 N ATOM 1537 CA SER B 39 -11.122 -10.318 -4.074 1.00 0.00 C ATOM 1538 C SER B 39 -10.071 -10.423 -5.164 1.00 0.00 C ATOM 1539 O SER B 39 -9.313 -11.394 -5.219 1.00 0.00 O ATOM 1540 CB SER B 39 -12.494 -10.705 -4.627 1.00 0.00 C ATOM 1541 OG SER B 39 -13.449 -10.674 -3.574 1.00 0.00 O ATOM 0 H SER B 39 -12.021 -8.453 -3.758 1.00 0.00 H new ATOM 0 HA SER B 39 -10.872 -11.000 -3.261 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.787 -10.017 -5.420 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.454 -11.701 -5.068 1.00 0.00 H new ATOM 0 HG SER B 39 -14.331 -10.920 -3.925 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.022 -9.395 -6.016 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.051 -9.349 -7.092 1.00 0.00 C ATOM 1549 C GLN B 40 -7.878 -8.470 -6.698 1.00 0.00 C ATOM 1550 O GLN B 40 -7.163 -7.969 -7.561 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.665 -8.850 -8.412 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.194 -9.002 -8.405 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.590 -10.479 -8.410 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -10.920 -11.307 -9.027 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -12.653 -10.860 -7.758 1.00 0.00 N ATOM 0 H GLN B 40 -10.646 -8.589 -5.975 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.705 -10.369 -7.260 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.401 -7.804 -8.566 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.245 -9.411 -9.247 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.609 -8.512 -7.524 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.618 -8.504 -9.277 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.210 -10.176 -7.246 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -12.928 -11.842 -7.760 1.00 0.00 H new ATOM 1564 N SER B 41 -7.664 -8.295 -5.389 1.00 0.00 N ATOM 1565 CA SER B 41 -6.549 -7.487 -4.923 1.00 0.00 C ATOM 1566 C SER B 41 -5.255 -8.024 -5.525 1.00 0.00 C ATOM 1567 O SER B 41 -4.325 -7.280 -5.829 1.00 0.00 O ATOM 1568 CB SER B 41 -6.479 -7.555 -3.391 1.00 0.00 C ATOM 1569 OG SER B 41 -5.277 -6.957 -2.925 1.00 0.00 O ATOM 0 H SER B 41 -8.241 -8.697 -4.651 1.00 0.00 H new ATOM 0 HA SER B 41 -6.687 -6.451 -5.231 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.339 -7.044 -2.958 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.527 -8.594 -3.064 1.00 0.00 H new ATOM 0 HG SER B 41 -5.490 -6.268 -2.262 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.254 -9.330 -5.705 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.140 -10.053 -6.294 1.00 0.00 C ATOM 1577 C ALA B 42 -4.065 -9.803 -7.803 1.00 0.00 C ATOM 1578 O ALA B 42 -3.001 -9.920 -8.405 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.349 -11.544 -6.047 1.00 0.00 C ATOM 0 H ALA B 42 -6.037 -9.929 -5.443 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.211 -9.709 -5.840 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.522 -12.104 -6.482 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.390 -11.733 -4.974 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.285 -11.861 -6.508 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.225 -9.494 -8.393 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.354 -9.262 -9.828 1.00 0.00 C ATOM 1587 C ASN B 43 -4.693 -7.976 -10.266 1.00 0.00 C ATOM 1588 O ASN B 43 -3.873 -7.971 -11.178 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.817 -9.177 -10.169 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.035 -9.389 -11.664 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -6.662 -8.465 -12.506 1.00 0.00 O flip ATOM 1592 ND2 ASN B 43 -7.549 -10.428 -12.077 1.00 0.00 N flip ATOM 0 H ASN B 43 -6.103 -9.398 -7.882 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.862 -10.087 -10.343 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.371 -9.928 -9.606 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.208 -8.204 -9.874 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -7.840 -11.150 -11.418 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -7.684 -10.567 -13.078 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.050 -6.882 -9.611 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.462 -5.621 -9.948 1.00 0.00 C ATOM 1601 C LEU B 44 -3.044 -5.610 -9.396 1.00 0.00 C ATOM 1602 O LEU B 44 -2.153 -4.984 -9.948 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.365 -4.423 -9.570 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.514 -4.180 -8.081 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.392 -5.249 -7.458 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.170 -4.089 -7.388 1.00 0.00 C ATOM 0 H LEU B 44 -5.735 -6.853 -8.856 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.382 -5.494 -11.028 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.961 -3.522 -10.032 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.355 -4.584 -9.998 1.00 0.00 H new ATOM 0 HG LEU B 44 -6.002 -3.215 -7.944 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.490 -5.062 -6.389 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.378 -5.226 -7.922 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.940 -6.228 -7.615 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.321 -3.914 -6.323 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.624 -5.022 -7.529 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.597 -3.265 -7.813 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.823 -6.399 -8.337 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.483 -6.562 -7.807 1.00 0.00 C ATOM 1620 C LEU B 45 -0.703 -7.227 -8.924 1.00 0.00 C ATOM 1621 O LEU B 45 0.467 -6.935 -9.171 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.496 -7.458 -6.556 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.173 -8.239 -6.422 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.993 -7.265 -6.233 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.252 -9.202 -5.228 1.00 0.00 C ATOM 0 H LEU B 45 -3.547 -6.922 -7.844 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.045 -5.611 -7.504 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.653 -6.846 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.331 -8.157 -6.613 1.00 0.00 H new ATOM 0 HG LEU B 45 -0.008 -8.816 -7.332 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.923 -7.825 -6.139 1.00 0.00 H new ATOM 0 HD12 LEU B 45 1.055 -6.600 -7.094 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.832 -6.675 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.686 -9.750 -5.140 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.428 -8.635 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.070 -9.906 -5.382 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.427 -8.096 -9.627 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.883 -8.798 -10.772 1.00 0.00 C ATOM 1639 C ALA B 46 -0.546 -7.752 -11.823 1.00 0.00 C ATOM 1640 O ALA B 46 0.515 -7.773 -12.432 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.911 -9.801 -11.322 1.00 0.00 C ATOM 0 H ALA B 46 -2.398 -8.327 -9.416 1.00 0.00 H new ATOM 0 HA ALA B 46 0.007 -9.361 -10.492 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.488 -10.321 -12.182 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.163 -10.526 -10.548 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.812 -9.268 -11.627 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.460 -6.799 -11.966 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.288 -5.683 -12.873 1.00 0.00 C ATOM 1649 C GLU B 47 -0.101 -4.838 -12.432 1.00 0.00 C ATOM 1650 O GLU B 47 0.552 -4.194 -13.249 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.539 -4.785 -12.885 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.747 -5.520 -13.455 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.446 -6.081 -14.848 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.119 -5.299 -15.727 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.547 -7.288 -15.013 1.00 0.00 O ATOM 0 H GLU B 47 -2.341 -6.783 -11.453 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.122 -6.087 -13.871 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.759 -4.452 -11.871 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.342 -3.892 -13.478 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.031 -6.333 -12.786 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.597 -4.840 -13.510 1.00 0.00 H new ATOM 1662 N ALA B 48 0.134 -4.811 -11.116 1.00 0.00 N ATOM 1663 CA ALA B 48 1.188 -4.012 -10.543 1.00 0.00 C ATOM 1664 C ALA B 48 2.532 -4.624 -10.797 1.00 0.00 C ATOM 1665 O ALA B 48 3.439 -3.962 -11.260 1.00 0.00 O ATOM 1666 CB ALA B 48 0.951 -3.942 -9.050 1.00 0.00 C ATOM 0 H ALA B 48 -0.405 -5.344 -10.433 1.00 0.00 H new ATOM 0 HA ALA B 48 1.178 -3.021 -10.997 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.734 -3.343 -8.585 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.019 -3.485 -8.857 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.968 -4.948 -8.631 1.00 0.00 H new ATOM 1672 N LYS B 49 2.643 -5.902 -10.520 1.00 0.00 N ATOM 1673 CA LYS B 49 3.893 -6.594 -10.762 1.00 0.00 C ATOM 1674 C LYS B 49 4.157 -6.585 -12.264 1.00 0.00 C ATOM 1675 O LYS B 49 5.302 -6.491 -12.701 1.00 0.00 O ATOM 1676 CB LYS B 49 3.841 -7.989 -10.148 1.00 0.00 C ATOM 1677 CG LYS B 49 2.735 -8.796 -10.791 1.00 0.00 C ATOM 1678 CD LYS B 49 2.666 -10.201 -10.170 1.00 0.00 C ATOM 1679 CE LYS B 49 2.085 -10.128 -8.747 1.00 0.00 C ATOM 1680 NZ LYS B 49 0.808 -10.899 -8.683 1.00 0.00 N ATOM 0 H LYS B 49 1.897 -6.479 -10.133 1.00 0.00 H new ATOM 0 HA LYS B 49 4.733 -6.093 -10.280 1.00 0.00 H new ATOM 0 HB2 LYS B 49 4.798 -8.492 -10.287 1.00 0.00 H new ATOM 0 HB3 LYS B 49 3.672 -7.916 -9.074 1.00 0.00 H new ATOM 0 HG2 LYS B 49 1.781 -8.286 -10.660 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.910 -8.874 -11.864 1.00 0.00 H new ATOM 0 HD2 LYS B 49 2.047 -10.850 -10.790 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.662 -10.643 -10.141 1.00 0.00 H new ATOM 0 HE2 LYS B 49 2.801 -10.532 -8.031 1.00 0.00 H new ATOM 0 HE3 LYS B 49 1.908 -9.089 -8.469 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.769 -11.433 -7.792 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 0.003 -10.242 -8.728 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 0.761 -11.560 -9.485 1.00 0.00 H new ATOM 1694 N LYS B 50 3.065 -6.594 -13.039 1.00 0.00 N ATOM 1695 CA LYS B 50 3.150 -6.489 -14.493 1.00 0.00 C ATOM 1696 C LYS B 50 3.611 -5.089 -14.866 1.00 0.00 C ATOM 1697 O LYS B 50 4.404 -4.915 -15.783 1.00 0.00 O ATOM 1698 CB LYS B 50 1.789 -6.737 -15.129 1.00 0.00 C ATOM 1699 CG LYS B 50 1.457 -8.236 -15.141 1.00 0.00 C ATOM 1700 CD LYS B 50 0.013 -8.427 -15.631 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.442 -9.870 -15.390 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.929 -9.904 -15.274 1.00 0.00 N ATOM 0 H LYS B 50 2.114 -6.673 -12.679 1.00 0.00 H new ATOM 0 HA LYS B 50 3.856 -7.236 -14.855 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.021 -6.194 -14.578 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.783 -6.351 -16.148 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.149 -8.769 -15.793 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.574 -8.655 -14.142 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -0.650 -7.737 -15.109 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -0.053 -8.190 -16.693 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.115 -10.509 -16.210 1.00 0.00 H new ATOM 0 HE3 LYS B 50 0.014 -10.261 -14.480 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.199 -10.458 -14.436 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -2.292 -8.934 -15.180 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -2.334 -10.344 -16.125 1.00 0.00 H new ATOM 1716 N LEU B 51 3.101 -4.092 -14.137 1.00 0.00 N ATOM 1717 CA LEU B 51 3.477 -2.704 -14.390 1.00 0.00 C ATOM 1718 C LEU B 51 4.910 -2.500 -13.994 1.00 0.00 C ATOM 1719 O LEU B 51 5.688 -1.866 -14.706 1.00 0.00 O ATOM 1720 CB LEU B 51 2.582 -1.747 -13.598 1.00 0.00 C ATOM 1721 CG LEU B 51 1.667 -0.991 -14.554 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.520 -0.035 -15.405 1.00 0.00 C ATOM 1723 CD2 LEU B 51 0.905 -1.991 -15.448 1.00 0.00 C ATOM 0 H LEU B 51 2.434 -4.221 -13.376 1.00 0.00 H new ATOM 0 HA LEU B 51 3.351 -2.493 -15.452 1.00 0.00 H new ATOM 0 HB2 LEU B 51 1.987 -2.305 -12.874 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.194 -1.044 -13.033 1.00 0.00 H new ATOM 0 HG LEU B 51 0.934 -0.411 -13.993 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.876 0.512 -16.094 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.036 0.670 -14.753 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.253 -0.609 -15.972 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.252 -1.446 -16.130 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.618 -2.582 -16.023 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.305 -2.653 -14.824 1.00 0.00 H new ATOM 1735 N ASN B 52 5.256 -3.091 -12.870 1.00 0.00 N ATOM 1736 CA ASN B 52 6.614 -3.040 -12.383 1.00 0.00 C ATOM 1737 C ASN B 52 7.472 -3.699 -13.427 1.00 0.00 C ATOM 1738 O ASN B 52 8.552 -3.219 -13.771 1.00 0.00 O ATOM 1739 CB ASN B 52 6.719 -3.785 -11.057 1.00 0.00 C ATOM 1740 CG ASN B 52 8.180 -3.971 -10.664 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.701 -3.258 -9.812 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.870 -4.896 -11.251 1.00 0.00 N ATOM 0 H ASN B 52 4.612 -3.613 -12.276 1.00 0.00 H new ATOM 0 HA ASN B 52 6.935 -2.013 -12.210 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.195 -3.230 -10.279 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.232 -4.757 -11.139 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.850 -5.034 -11.006 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.433 -5.487 -11.959 1.00 0.00 H new ATOM 1749 N ASP B 53 6.933 -4.791 -13.959 1.00 0.00 N ATOM 1750 CA ASP B 53 7.612 -5.516 -15.020 1.00 0.00 C ATOM 1751 C ASP B 53 7.692 -4.626 -16.254 1.00 0.00 C ATOM 1752 O ASP B 53 8.673 -4.650 -16.989 1.00 0.00 O ATOM 1753 CB ASP B 53 6.868 -6.808 -15.372 1.00 0.00 C ATOM 1754 CG ASP B 53 7.694 -7.626 -16.367 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.513 -8.413 -15.921 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.502 -7.444 -17.559 1.00 0.00 O ATOM 0 H ASP B 53 6.037 -5.188 -13.675 1.00 0.00 H new ATOM 0 HA ASP B 53 8.612 -5.782 -14.676 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.686 -7.392 -14.469 1.00 0.00 H new ATOM 0 HB3 ASP B 53 5.894 -6.573 -15.801 1.00 0.00 H new ATOM 1761 N ALA B 54 6.630 -3.843 -16.459 1.00 0.00 N ATOM 1762 CA ALA B 54 6.539 -2.933 -17.591 1.00 0.00 C ATOM 1763 C ALA B 54 7.592 -1.834 -17.486 1.00 0.00 C ATOM 1764 O ALA B 54 8.191 -1.440 -18.489 1.00 0.00 O ATOM 1765 CB ALA B 54 5.140 -2.312 -17.627 1.00 0.00 C ATOM 0 H ALA B 54 5.816 -3.826 -15.845 1.00 0.00 H new ATOM 0 HA ALA B 54 6.719 -3.492 -18.510 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.067 -1.629 -18.473 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.395 -3.100 -17.731 1.00 0.00 H new ATOM 0 HB3 ALA B 54 4.961 -1.764 -16.702 1.00 0.00 H new ATOM 1771 N GLN B 55 7.814 -1.350 -16.261 1.00 0.00 N ATOM 1772 CA GLN B 55 8.795 -0.299 -16.017 1.00 0.00 C ATOM 1773 C GLN B 55 10.169 -0.884 -15.694 1.00 0.00 C ATOM 1774 O GLN B 55 11.138 -0.143 -15.509 1.00 0.00 O ATOM 1775 CB GLN B 55 8.323 0.548 -14.854 1.00 0.00 C ATOM 1776 CG GLN B 55 7.027 1.268 -15.222 1.00 0.00 C ATOM 1777 CD GLN B 55 6.201 1.484 -13.968 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.807 0.443 -13.286 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 5.918 2.620 -13.592 1.00 0.00 N flip ATOM 0 H GLN B 55 7.326 -1.672 -15.425 1.00 0.00 H new ATOM 0 HA GLN B 55 8.890 0.305 -16.919 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.163 -0.080 -13.978 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.090 1.276 -14.589 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.250 2.225 -15.694 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.463 0.680 -15.946 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.230 3.428 -14.131 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.371 2.754 -12.741 1.00 0.00 H new ATOM 1788 N ALA B 56 10.242 -2.212 -15.615 1.00 0.00 N ATOM 1789 CA ALA B 56 11.502 -2.888 -15.298 1.00 0.00 C ATOM 1790 C ALA B 56 12.549 -2.655 -16.377 1.00 0.00 C ATOM 1791 O ALA B 56 12.230 -2.210 -17.482 1.00 0.00 O ATOM 1792 CB ALA B 56 11.279 -4.391 -15.135 1.00 0.00 C ATOM 0 H ALA B 56 9.451 -2.838 -15.765 1.00 0.00 H new ATOM 0 HA ALA B 56 11.866 -2.466 -14.361 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.226 -4.876 -14.900 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.570 -4.568 -14.326 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.881 -4.803 -16.063 1.00 0.00 H new