USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=27 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= -0.71 F(o=-7.8,f=-5.1) USER MOD Set 1.2: B 52 ASN : amide:sc= -4.41! C(o=-5.1!,f=-14!) USER MOD Set 2.1: B 26 GLN :FLIP amide:sc= -1.03 F(o=-16!,f=-2.5) USER MOD Set 2.2: B 55 GLN :FLIP amide:sc= -1.47 F(o=-3.1!,f=-2.5) USER MOD Set 3.1: B 23 ASN : amide:sc= -9.22! C(o=-10!,f=-19!) USER MOD Set 3.2: B 24 SER OG : rot -160:sc= -0.948 USER MOD Set 4.1: A 26 GLN :FLIP amide:sc= -0.245 F(o=-7.5!,f=-2.5) USER MOD Set 4.2: A 55 GLN :FLIP amide:sc= -2.22! C(o=-6.7!,f=-2.5!) USER MOD Set 5.1: A 21 ASN :FLIP amide:sc= -1.64 F(o=-12,f=-11) USER MOD Set 5.2: A 52 ASN : amide:sc= -9.28! C(o=-11!,f=-19!) USER MOD Set 6.1: A 13 THR OG1 : rot 119:sc= -2.6 USER MOD Set 6.2: B 17 MET CE :methyl -119:sc= -12! (180deg=-12.2!) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00034) USER MOD Single : A 6 ASN : amide:sc= -4.32! C(o=-4.3!,f=-11!) USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= -0.0304 (180deg=-0.185) USER MOD Single : A 18 ASN :FLIP amide:sc= -3.07 F(o=-4.6,f=-3.1) USER MOD Single : A 23 ASN : amide:sc= -0.844 K(o=-0.84,f=-11!) USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= -0.816 (180deg=-2.75!) USER MOD Single : A 33 SER OG : rot 73:sc= 1.08 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0171 K(o=-0.017,f=-0.99) USER MOD Single : A 41 SER OG : rot -148:sc= -7.33! USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= -1.4 (180deg=-1.46) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= 0.655 (180deg=0.33) USER MOD Single : B 6 ASN :FLIP amide:sc= -2.13 F(o=-3.5!,f=-2.1) USER MOD Single : B 7 LYS NZ :NH3+ -140:sc= -0.798 (180deg=-3.03!) USER MOD Single : B 32 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 33 SER OG : rot 91:sc= 0.124 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN :FLIP amide:sc= -0.0305 F(o=-0.85,f=-0.031) USER MOD Single : B 41 SER OG : rot -102:sc= -3.03! USER MOD Single : B 43 ASN :FLIP amide:sc= -0.0519 F(o=-0.73,f=-0.052) USER MOD Single : B 49 LYS NZ :NH3+ 146:sc= 0.912 (180deg=-1.21!) USER MOD Single : B 50 LYS NZ :NH3+ -176:sc= 1.02 (180deg=1) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 6.117 -10.659 7.191 1.00 0.00 N ATOM 46 CA LYS A 4 5.561 -9.668 8.111 1.00 0.00 C ATOM 47 C LYS A 4 5.846 -8.250 7.625 1.00 0.00 C ATOM 48 O LYS A 4 4.950 -7.408 7.617 1.00 0.00 O ATOM 49 CB LYS A 4 6.146 -9.852 9.516 1.00 0.00 C ATOM 50 CG LYS A 4 5.409 -8.928 10.491 1.00 0.00 C ATOM 51 CD LYS A 4 6.007 -9.055 11.893 1.00 0.00 C ATOM 52 CE LYS A 4 5.183 -8.210 12.867 1.00 0.00 C ATOM 53 NZ LYS A 4 5.578 -6.776 12.739 1.00 0.00 N ATOM 0 HA LYS A 4 4.482 -9.818 8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.045 -10.890 9.832 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.211 -9.622 9.513 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.480 -7.895 10.149 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.350 -9.183 10.515 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.008 -10.098 12.208 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.045 -8.722 11.891 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.120 -8.326 12.656 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.344 -8.553 13.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.030 -6.204 13.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.593 -6.676 12.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.387 -6.448 11.771 1.00 0.00 H new ATOM 67 N PHE A 5 7.093 -7.992 7.225 1.00 0.00 N ATOM 68 CA PHE A 5 7.470 -6.669 6.749 1.00 0.00 C ATOM 69 C PHE A 5 6.683 -6.318 5.487 1.00 0.00 C ATOM 70 O PHE A 5 6.246 -5.186 5.329 1.00 0.00 O ATOM 71 CB PHE A 5 8.992 -6.582 6.506 1.00 0.00 C ATOM 72 CG PHE A 5 9.356 -7.004 5.093 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.552 -8.357 4.793 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.505 -6.034 4.087 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.894 -8.742 3.491 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.847 -6.422 2.788 1.00 0.00 C ATOM 77 CZ PHE A 5 10.041 -7.776 2.490 1.00 0.00 C ATOM 0 H PHE A 5 7.849 -8.677 7.223 1.00 0.00 H new ATOM 0 HA PHE A 5 7.221 -5.938 7.519 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.331 -5.561 6.681 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.513 -7.218 7.222 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.440 -9.104 5.565 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.355 -4.989 4.317 1.00 0.00 H new ATOM 0 HE1 PHE A 5 10.044 -9.786 3.259 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.962 -5.677 2.014 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.304 -8.075 1.486 1.00 0.00 H new ATOM 87 N ASN A 6 6.496 -7.306 4.604 1.00 0.00 N ATOM 88 CA ASN A 6 5.741 -7.096 3.376 1.00 0.00 C ATOM 89 C ASN A 6 4.280 -6.845 3.700 1.00 0.00 C ATOM 90 O ASN A 6 3.662 -5.930 3.163 1.00 0.00 O ATOM 91 CB ASN A 6 5.841 -8.339 2.501 1.00 0.00 C ATOM 92 CG ASN A 6 5.172 -8.117 1.151 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.154 -7.008 0.638 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.613 -9.124 0.547 1.00 0.00 N ATOM 0 H ASN A 6 6.858 -8.253 4.721 1.00 0.00 H new ATOM 0 HA ASN A 6 6.152 -6.233 2.852 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.889 -8.599 2.352 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.372 -9.183 3.008 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.159 -8.989 -0.356 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.629 -10.049 0.976 1.00 0.00 H new ATOM 101 N LYS A 7 3.743 -7.665 4.602 1.00 0.00 N ATOM 102 CA LYS A 7 2.362 -7.531 5.011 1.00 0.00 C ATOM 103 C LYS A 7 2.196 -6.184 5.688 1.00 0.00 C ATOM 104 O LYS A 7 1.218 -5.495 5.469 1.00 0.00 O ATOM 105 CB LYS A 7 1.975 -8.676 5.961 1.00 0.00 C ATOM 106 CG LYS A 7 0.445 -8.768 6.076 1.00 0.00 C ATOM 107 CD LYS A 7 0.046 -10.075 6.781 1.00 0.00 C ATOM 108 CE LYS A 7 -0.369 -11.122 5.741 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.704 -12.399 6.431 1.00 0.00 N ATOM 0 H LYS A 7 4.249 -8.425 5.058 1.00 0.00 H new ATOM 0 HA LYS A 7 1.704 -7.587 4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.378 -9.619 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.413 -8.507 6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.062 -7.913 6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.005 -8.729 5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.881 -10.449 7.373 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.777 -9.890 7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.229 -10.766 5.174 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.439 -11.282 5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.145 -13.054 5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.165 -12.826 6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.366 -12.209 7.210 1.00 0.00 H new ATOM 123 N GLU A 8 3.188 -5.808 6.490 1.00 0.00 N ATOM 124 CA GLU A 8 3.155 -4.522 7.174 1.00 0.00 C ATOM 125 C GLU A 8 3.366 -3.386 6.183 1.00 0.00 C ATOM 126 O GLU A 8 2.697 -2.361 6.251 1.00 0.00 O ATOM 127 CB GLU A 8 4.213 -4.482 8.279 1.00 0.00 C ATOM 128 CG GLU A 8 4.189 -3.123 8.999 1.00 0.00 C ATOM 129 CD GLU A 8 5.382 -3.010 9.950 1.00 0.00 C ATOM 130 OE1 GLU A 8 5.394 -3.716 10.947 1.00 0.00 O ATOM 131 OE2 GLU A 8 6.267 -2.215 9.667 1.00 0.00 O ATOM 0 H GLU A 8 4.017 -6.371 6.680 1.00 0.00 H new ATOM 0 HA GLU A 8 2.174 -4.395 7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.030 -5.283 8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.200 -4.656 7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.219 -2.315 8.268 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.258 -3.014 9.556 1.00 0.00 H new ATOM 138 N LEU A 9 4.265 -3.607 5.237 1.00 0.00 N ATOM 139 CA LEU A 9 4.532 -2.625 4.187 1.00 0.00 C ATOM 140 C LEU A 9 3.232 -2.394 3.450 1.00 0.00 C ATOM 141 O LEU A 9 2.871 -1.266 3.134 1.00 0.00 O ATOM 142 CB LEU A 9 5.618 -3.163 3.239 1.00 0.00 C ATOM 143 CG LEU A 9 5.781 -2.231 2.025 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.607 -0.988 2.362 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.484 -2.978 0.913 1.00 0.00 C ATOM 0 H LEU A 9 4.825 -4.457 5.171 1.00 0.00 H new ATOM 0 HA LEU A 9 4.896 -1.686 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.566 -3.246 3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.352 -4.165 2.903 1.00 0.00 H new ATOM 0 HG LEU A 9 4.784 -1.913 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.696 -0.359 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.114 -0.428 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.600 -1.290 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.601 -2.321 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.466 -3.304 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.892 -3.848 0.628 1.00 0.00 H new ATOM 157 N GLY A 10 2.509 -3.479 3.231 1.00 0.00 N ATOM 158 CA GLY A 10 1.236 -3.406 2.590 1.00 0.00 C ATOM 159 C GLY A 10 0.191 -2.860 3.543 1.00 0.00 C ATOM 160 O GLY A 10 -0.677 -2.084 3.157 1.00 0.00 O ATOM 0 H GLY A 10 2.797 -4.421 3.495 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.302 -2.767 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.939 -4.396 2.244 1.00 0.00 H new ATOM 164 N TRP A 11 0.237 -3.307 4.792 1.00 0.00 N ATOM 165 CA TRP A 11 -0.763 -2.871 5.736 1.00 0.00 C ATOM 166 C TRP A 11 -0.651 -1.427 6.117 1.00 0.00 C ATOM 167 O TRP A 11 -1.637 -0.696 6.044 1.00 0.00 O ATOM 168 CB TRP A 11 -0.848 -3.742 6.977 1.00 0.00 C ATOM 169 CG TRP A 11 -2.302 -3.814 7.377 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.740 -3.848 8.644 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.517 -3.820 6.525 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.123 -3.914 8.641 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.644 -3.887 7.365 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.752 -3.786 5.122 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.943 -3.913 6.849 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.040 -3.806 4.604 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.143 -3.868 5.463 1.00 0.00 C ATOM 0 H TRP A 11 0.937 -3.952 5.160 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.698 -2.987 5.188 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.455 -4.739 6.775 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.248 -3.321 7.784 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.115 -3.827 9.525 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.691 -3.976 9.486 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.911 -3.744 4.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.790 -3.968 7.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.191 -3.774 3.535 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.145 -3.881 5.059 1.00 0.00 H new ATOM 188 N ALA A 12 0.527 -1.007 6.521 1.00 0.00 N ATOM 189 CA ALA A 12 0.697 0.368 6.903 1.00 0.00 C ATOM 190 C ALA A 12 0.299 1.253 5.720 1.00 0.00 C ATOM 191 O ALA A 12 -0.348 2.275 5.899 1.00 0.00 O ATOM 192 CB ALA A 12 2.134 0.616 7.351 1.00 0.00 C ATOM 0 H ALA A 12 1.363 -1.587 6.591 1.00 0.00 H new ATOM 0 HA ALA A 12 0.056 0.613 7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.250 1.661 7.638 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.364 -0.022 8.204 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.815 0.387 6.532 1.00 0.00 H new ATOM 198 N THR A 13 0.622 0.794 4.503 1.00 0.00 N ATOM 199 CA THR A 13 0.233 1.500 3.286 1.00 0.00 C ATOM 200 C THR A 13 -1.277 1.689 3.268 1.00 0.00 C ATOM 201 O THR A 13 -1.760 2.788 3.020 1.00 0.00 O ATOM 202 CB THR A 13 0.680 0.664 2.089 1.00 0.00 C ATOM 203 OG1 THR A 13 2.062 0.860 1.897 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.077 1.060 0.824 1.00 0.00 C ATOM 0 H THR A 13 1.151 -0.063 4.341 1.00 0.00 H new ATOM 0 HA THR A 13 0.702 2.483 3.245 1.00 0.00 H new ATOM 0 HB THR A 13 0.467 -0.386 2.290 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.531 0.006 2.001 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.263 0.447 -0.011 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.145 0.905 0.976 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.109 2.111 0.602 1.00 0.00 H new ATOM 212 N TRP A 14 -2.000 0.609 3.561 1.00 0.00 N ATOM 213 CA TRP A 14 -3.462 0.636 3.603 1.00 0.00 C ATOM 214 C TRP A 14 -3.963 1.536 4.720 1.00 0.00 C ATOM 215 O TRP A 14 -4.876 2.326 4.528 1.00 0.00 O ATOM 216 CB TRP A 14 -3.967 -0.772 3.872 1.00 0.00 C ATOM 217 CG TRP A 14 -5.432 -0.887 3.582 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.399 -0.942 4.527 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.115 -0.987 2.296 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.622 -1.103 3.909 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.500 -1.135 2.538 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.680 -0.977 0.952 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.407 -1.276 1.496 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.590 -1.117 -0.082 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.944 -1.270 0.184 1.00 0.00 C ATOM 0 H TRP A 14 -1.594 -0.302 3.774 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.826 1.017 2.649 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.415 -1.483 3.257 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.778 -1.036 4.912 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.239 -0.871 5.593 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.508 -1.188 4.407 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.630 -0.859 0.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.461 -1.389 1.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.243 -1.107 -1.105 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.642 -1.385 -0.632 1.00 0.00 H new ATOM 236 N GLU A 15 -3.363 1.390 5.893 1.00 0.00 N ATOM 237 CA GLU A 15 -3.758 2.174 7.053 1.00 0.00 C ATOM 238 C GLU A 15 -3.565 3.664 6.764 1.00 0.00 C ATOM 239 O GLU A 15 -4.415 4.487 7.112 1.00 0.00 O ATOM 240 CB GLU A 15 -2.937 1.712 8.259 1.00 0.00 C ATOM 241 CG GLU A 15 -3.296 0.246 8.580 1.00 0.00 C ATOM 242 CD GLU A 15 -2.322 -0.324 9.608 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.532 -0.095 10.787 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.376 -0.981 9.198 1.00 0.00 O ATOM 0 H GLU A 15 -2.600 0.735 6.066 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.814 2.024 7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.872 1.801 8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.143 2.347 9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.315 0.189 8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.265 -0.351 7.669 1.00 0.00 H new ATOM 251 N ILE A 16 -2.478 3.985 6.061 1.00 0.00 N ATOM 252 CA ILE A 16 -2.200 5.363 5.646 1.00 0.00 C ATOM 253 C ILE A 16 -3.222 5.752 4.568 1.00 0.00 C ATOM 254 O ILE A 16 -3.701 6.884 4.511 1.00 0.00 O ATOM 255 CB ILE A 16 -0.763 5.444 5.074 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.259 5.131 6.177 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.467 6.843 4.513 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.661 4.935 5.571 1.00 0.00 C ATOM 0 H ILE A 16 -1.774 3.309 5.766 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.278 6.045 6.493 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.685 4.714 4.268 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.280 5.944 6.903 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.041 4.231 6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.549 6.869 4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.173 7.071 3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.567 7.582 5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.373 4.714 6.366 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.639 4.107 4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.965 5.846 5.055 1.00 0.00 H new ATOM 270 N PHE A 17 -3.547 4.762 3.733 1.00 0.00 N ATOM 271 CA PHE A 17 -4.517 4.909 2.643 1.00 0.00 C ATOM 272 C PHE A 17 -5.915 5.172 3.210 1.00 0.00 C ATOM 273 O PHE A 17 -6.708 5.919 2.633 1.00 0.00 O ATOM 274 CB PHE A 17 -4.544 3.590 1.853 1.00 0.00 C ATOM 275 CG PHE A 17 -4.792 3.803 0.381 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.718 4.069 -0.481 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.085 3.674 -0.131 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.943 4.211 -1.849 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.311 3.806 -1.500 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.239 4.076 -2.360 1.00 0.00 C ATOM 0 H PHE A 17 -3.142 3.828 3.794 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.231 5.745 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.595 3.071 1.987 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.321 2.943 2.259 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.718 4.164 -0.085 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.911 3.472 0.535 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.119 4.425 -2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.310 3.700 -1.897 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.413 4.180 -3.421 1.00 0.00 H new ATOM 290 N ASN A 18 -6.206 4.509 4.333 1.00 0.00 N ATOM 291 CA ASN A 18 -7.506 4.605 4.994 1.00 0.00 C ATOM 292 C ASN A 18 -7.563 5.734 6.028 1.00 0.00 C ATOM 293 O ASN A 18 -8.577 5.873 6.720 1.00 0.00 O ATOM 294 CB ASN A 18 -7.822 3.270 5.692 1.00 0.00 C ATOM 295 CG ASN A 18 -8.127 2.175 4.669 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.278 1.921 3.714 1.00 0.00 O flip ATOM 297 ND2 ASN A 18 -9.171 1.530 4.746 1.00 0.00 N flip ATOM 0 H ASN A 18 -5.546 3.892 4.807 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.244 4.829 4.223 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.976 2.970 6.310 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.675 3.397 6.359 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.838 1.726 5.492 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.370 0.799 4.063 1.00 0.00 H new ATOM 304 N LEU A 19 -6.503 6.547 6.148 1.00 0.00 N ATOM 305 CA LEU A 19 -6.534 7.633 7.123 1.00 0.00 C ATOM 306 C LEU A 19 -7.529 8.700 6.663 1.00 0.00 C ATOM 307 O LEU A 19 -7.540 9.067 5.486 1.00 0.00 O ATOM 308 CB LEU A 19 -5.148 8.244 7.333 1.00 0.00 C ATOM 309 CG LEU A 19 -4.466 7.588 8.545 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.077 8.155 8.681 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.222 7.895 9.842 1.00 0.00 C ATOM 0 H LEU A 19 -5.645 6.475 5.601 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.854 7.226 8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.539 8.101 6.440 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.235 9.319 7.491 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.450 6.510 8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.580 7.699 9.537 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.507 7.944 7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.137 9.233 8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.715 7.417 10.680 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.249 8.973 10.001 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.240 7.513 9.769 1.00 0.00 H new ATOM 323 N PRO A 20 -8.394 9.166 7.538 1.00 0.00 N ATOM 324 CA PRO A 20 -9.449 10.161 7.188 1.00 0.00 C ATOM 325 C PRO A 20 -8.988 11.624 7.109 1.00 0.00 C ATOM 326 O PRO A 20 -9.847 12.511 7.112 1.00 0.00 O ATOM 327 CB PRO A 20 -10.489 9.992 8.319 1.00 0.00 C ATOM 328 CG PRO A 20 -9.982 8.916 9.222 1.00 0.00 C ATOM 329 CD PRO A 20 -8.493 8.817 8.965 1.00 0.00 C ATOM 0 HA PRO A 20 -9.817 9.967 6.181 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.618 10.926 8.866 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.463 9.725 7.910 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.182 9.157 10.266 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.477 7.967 9.014 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.926 9.505 9.592 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.112 7.816 9.166 1.00 0.00 H new ATOM 337 N ASN A 21 -7.672 11.912 7.055 1.00 0.00 N ATOM 338 CA ASN A 21 -7.265 13.336 7.004 1.00 0.00 C ATOM 339 C ASN A 21 -6.034 13.595 6.138 1.00 0.00 C ATOM 340 O ASN A 21 -5.665 14.754 5.928 1.00 0.00 O ATOM 341 CB ASN A 21 -7.025 13.866 8.423 1.00 0.00 C ATOM 342 CG ASN A 21 -8.301 13.757 9.254 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.477 12.726 10.032 1.00 0.00 O flip ATOM 344 ND2 ASN A 21 -9.165 14.629 9.182 1.00 0.00 N flip ATOM 0 H ASN A 21 -6.914 11.230 7.046 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.090 13.871 6.533 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.224 13.300 8.899 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.699 14.905 8.380 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.026 15.435 8.573 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.020 14.546 9.731 1.00 0.00 H new ATOM 351 N LEU A 22 -5.408 12.543 5.625 1.00 0.00 N ATOM 352 CA LEU A 22 -4.227 12.716 4.773 1.00 0.00 C ATOM 353 C LEU A 22 -4.634 13.065 3.351 1.00 0.00 C ATOM 354 O LEU A 22 -5.695 12.643 2.885 1.00 0.00 O ATOM 355 CB LEU A 22 -3.394 11.437 4.757 1.00 0.00 C ATOM 356 CG LEU A 22 -2.975 11.084 6.183 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.211 9.772 6.175 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.069 12.174 6.752 1.00 0.00 C ATOM 0 H LEU A 22 -5.688 11.574 5.777 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.634 13.533 5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.971 10.620 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.512 11.572 4.131 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.870 10.996 6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.911 9.519 7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.848 8.982 5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.324 9.871 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.777 11.911 7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.178 12.267 6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.604 13.123 6.763 1.00 0.00 H new ATOM 370 N ASN A 23 -3.775 13.818 2.657 1.00 0.00 N ATOM 371 CA ASN A 23 -4.059 14.189 1.275 1.00 0.00 C ATOM 372 C ASN A 23 -3.343 13.225 0.339 1.00 0.00 C ATOM 373 O ASN A 23 -2.454 12.482 0.766 1.00 0.00 O ATOM 374 CB ASN A 23 -3.653 15.651 0.999 1.00 0.00 C ATOM 375 CG ASN A 23 -2.136 15.829 0.964 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.404 15.100 1.621 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.622 16.774 0.227 1.00 0.00 N ATOM 0 H ASN A 23 -2.893 14.175 3.025 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.132 14.119 1.097 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.077 15.971 0.047 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.076 16.296 1.769 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.611 16.905 0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.231 17.382 -0.321 1.00 0.00 H new ATOM 384 N GLY A 24 -3.753 13.223 -0.924 1.00 0.00 N ATOM 385 CA GLY A 24 -3.170 12.324 -1.917 1.00 0.00 C ATOM 386 C GLY A 24 -1.643 12.340 -1.887 1.00 0.00 C ATOM 387 O GLY A 24 -1.013 11.316 -2.127 1.00 0.00 O ATOM 0 H GLY A 24 -4.486 13.833 -1.286 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.524 11.309 -1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.515 12.611 -2.910 1.00 0.00 H new ATOM 391 N VAL A 25 -1.058 13.503 -1.598 1.00 0.00 N ATOM 392 CA VAL A 25 0.399 13.630 -1.558 1.00 0.00 C ATOM 393 C VAL A 25 1.006 12.982 -0.318 1.00 0.00 C ATOM 394 O VAL A 25 1.968 12.227 -0.436 1.00 0.00 O ATOM 395 CB VAL A 25 0.795 15.105 -1.634 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.319 15.239 -1.520 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.337 15.663 -2.986 1.00 0.00 C ATOM 0 H VAL A 25 -1.565 14.363 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 25 0.797 13.098 -2.422 1.00 0.00 H new ATOM 0 HB VAL A 25 0.327 15.657 -0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.597 16.292 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.650 14.825 -0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.794 14.696 -2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.612 16.715 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.818 15.107 -3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.745 15.564 -3.073 1.00 0.00 H new ATOM 407 N GLN A 26 0.463 13.274 0.870 1.00 0.00 N ATOM 408 CA GLN A 26 1.009 12.691 2.087 1.00 0.00 C ATOM 409 C GLN A 26 0.903 11.177 2.048 1.00 0.00 C ATOM 410 O GLN A 26 1.865 10.482 2.363 1.00 0.00 O ATOM 411 CB GLN A 26 0.307 13.254 3.320 1.00 0.00 C ATOM 412 CG GLN A 26 1.078 14.491 3.810 1.00 0.00 C ATOM 413 CD GLN A 26 0.112 15.519 4.367 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.483 15.264 5.481 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 -0.108 16.570 3.767 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.334 13.895 1.007 1.00 0.00 H new ATOM 0 HA GLN A 26 2.064 12.957 2.150 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.722 13.522 3.079 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.264 12.500 4.106 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.796 14.202 4.577 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.648 14.924 2.988 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.368 16.763 2.886 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.766 17.248 4.151 1.00 0.00 H new ATOM 424 N VAL A 27 -0.252 10.671 1.620 1.00 0.00 N ATOM 425 CA VAL A 27 -0.439 9.224 1.515 1.00 0.00 C ATOM 426 C VAL A 27 0.559 8.664 0.503 1.00 0.00 C ATOM 427 O VAL A 27 1.208 7.646 0.748 1.00 0.00 O ATOM 428 CB VAL A 27 -1.876 8.894 1.083 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.053 7.374 1.006 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.869 9.463 2.105 1.00 0.00 C ATOM 0 H VAL A 27 -1.060 11.229 1.344 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.267 8.768 2.490 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.064 9.337 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.073 7.142 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.353 6.963 0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.859 6.935 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.887 9.226 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.677 9.023 3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.750 10.545 2.164 1.00 0.00 H new ATOM 440 N LYS A 28 0.686 9.370 -0.620 1.00 0.00 N ATOM 441 CA LYS A 28 1.618 8.995 -1.681 1.00 0.00 C ATOM 442 C LYS A 28 3.052 9.028 -1.156 1.00 0.00 C ATOM 443 O LYS A 28 3.882 8.203 -1.538 1.00 0.00 O ATOM 444 CB LYS A 28 1.451 9.973 -2.864 1.00 0.00 C ATOM 445 CG LYS A 28 2.345 9.585 -4.049 1.00 0.00 C ATOM 446 CD LYS A 28 2.257 10.686 -5.117 1.00 0.00 C ATOM 447 CE LYS A 28 3.055 10.285 -6.361 1.00 0.00 C ATOM 448 NZ LYS A 28 2.763 11.242 -7.465 1.00 0.00 N ATOM 0 H LYS A 28 0.148 10.214 -0.819 1.00 0.00 H new ATOM 0 HA LYS A 28 1.404 7.981 -2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.409 9.985 -3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.696 10.984 -2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.376 9.461 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.026 8.629 -4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.215 10.859 -5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.643 11.623 -4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.122 10.285 -6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.792 9.272 -6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.916 10.773 -8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.774 11.557 -7.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.395 12.065 -7.387 1.00 0.00 H new ATOM 462 N ALA A 29 3.323 9.990 -0.277 1.00 0.00 N ATOM 463 CA ALA A 29 4.640 10.151 0.315 1.00 0.00 C ATOM 464 C ALA A 29 4.923 9.047 1.295 1.00 0.00 C ATOM 465 O ALA A 29 6.013 8.485 1.304 1.00 0.00 O ATOM 466 CB ALA A 29 4.723 11.476 1.047 1.00 0.00 C ATOM 0 H ALA A 29 2.637 10.674 0.041 1.00 0.00 H new ATOM 0 HA ALA A 29 5.374 10.119 -0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.714 11.587 1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.544 12.291 0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.971 11.504 1.835 1.00 0.00 H new ATOM 472 N PHE A 30 3.926 8.733 2.114 1.00 0.00 N ATOM 473 CA PHE A 30 4.070 7.689 3.079 1.00 0.00 C ATOM 474 C PHE A 30 4.291 6.397 2.325 1.00 0.00 C ATOM 475 O PHE A 30 5.122 5.580 2.716 1.00 0.00 O ATOM 476 CB PHE A 30 2.838 7.617 3.980 1.00 0.00 C ATOM 477 CG PHE A 30 2.698 8.902 4.787 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.811 9.450 5.454 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.450 9.550 4.877 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.673 10.625 6.188 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.326 10.722 5.615 1.00 0.00 C ATOM 482 CZ PHE A 30 2.434 11.259 6.266 1.00 0.00 C ATOM 0 H PHE A 30 3.017 9.195 2.117 1.00 0.00 H new ATOM 0 HA PHE A 30 4.921 7.880 3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.945 7.460 3.375 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.921 6.764 4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.771 8.959 5.396 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.589 9.136 4.373 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.527 11.046 6.698 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.369 11.217 5.684 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.333 12.172 6.834 1.00 0.00 H new ATOM 492 N ILE A 31 3.589 6.260 1.191 1.00 0.00 N ATOM 493 CA ILE A 31 3.771 5.098 0.346 1.00 0.00 C ATOM 494 C ILE A 31 5.174 5.117 -0.219 1.00 0.00 C ATOM 495 O ILE A 31 5.879 4.130 -0.174 1.00 0.00 O ATOM 496 CB ILE A 31 2.731 5.064 -0.796 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.395 4.537 -0.236 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.224 4.156 -1.955 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.296 4.633 -1.296 1.00 0.00 C ATOM 0 H ILE A 31 2.903 6.934 0.852 1.00 0.00 H new ATOM 0 HA ILE A 31 3.625 4.200 0.946 1.00 0.00 H new ATOM 0 HB ILE A 31 2.593 6.070 -1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.511 3.501 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.110 5.113 0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.479 4.144 -2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.165 4.543 -2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.375 3.142 -1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.641 4.257 -0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.169 5.673 -1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.576 4.037 -2.165 1.00 0.00 H new ATOM 511 N ASP A 32 5.575 6.254 -0.744 1.00 0.00 N ATOM 512 CA ASP A 32 6.902 6.373 -1.325 1.00 0.00 C ATOM 513 C ASP A 32 7.982 6.076 -0.289 1.00 0.00 C ATOM 514 O ASP A 32 8.981 5.421 -0.586 1.00 0.00 O ATOM 515 CB ASP A 32 7.086 7.774 -1.918 1.00 0.00 C ATOM 516 CG ASP A 32 8.317 7.802 -2.820 1.00 0.00 C ATOM 517 OD1 ASP A 32 8.180 7.466 -3.986 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.379 8.151 -2.331 1.00 0.00 O ATOM 0 H ASP A 32 5.011 7.103 -0.783 1.00 0.00 H new ATOM 0 HA ASP A 32 7.000 5.637 -2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.201 8.056 -2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.195 8.505 -1.117 1.00 0.00 H new ATOM 523 N SER A 33 7.746 6.538 0.928 1.00 0.00 N ATOM 524 CA SER A 33 8.667 6.302 2.036 1.00 0.00 C ATOM 525 C SER A 33 8.678 4.809 2.366 1.00 0.00 C ATOM 526 O SER A 33 9.724 4.216 2.610 1.00 0.00 O ATOM 527 CB SER A 33 8.225 7.118 3.248 1.00 0.00 C ATOM 528 OG SER A 33 8.253 8.500 2.919 1.00 0.00 O ATOM 0 H SER A 33 6.920 7.082 1.178 1.00 0.00 H new ATOM 0 HA SER A 33 9.675 6.611 1.759 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.220 6.825 3.551 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.884 6.920 4.094 1.00 0.00 H new ATOM 0 HG SER A 33 7.504 8.710 2.323 1.00 0.00 H new ATOM 534 N LEU A 34 7.485 4.223 2.307 1.00 0.00 N ATOM 535 CA LEU A 34 7.273 2.789 2.522 1.00 0.00 C ATOM 536 C LEU A 34 8.089 2.011 1.497 1.00 0.00 C ATOM 537 O LEU A 34 8.857 1.112 1.833 1.00 0.00 O ATOM 538 CB LEU A 34 5.780 2.529 2.302 1.00 0.00 C ATOM 539 CG LEU A 34 5.039 2.355 3.623 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.763 3.198 3.644 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.663 0.899 3.769 1.00 0.00 C ATOM 0 H LEU A 34 6.626 4.735 2.106 1.00 0.00 H new ATOM 0 HA LEU A 34 7.579 2.480 3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.344 3.359 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.652 1.635 1.692 1.00 0.00 H new ATOM 0 HG LEU A 34 5.684 2.677 4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.250 3.058 4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.020 4.250 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.108 2.887 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.131 0.753 4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.021 0.604 2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.566 0.288 3.764 1.00 0.00 H new ATOM 553 N ARG A 35 7.910 2.404 0.248 1.00 0.00 N ATOM 554 CA ARG A 35 8.619 1.801 -0.883 1.00 0.00 C ATOM 555 C ARG A 35 10.129 1.950 -0.709 1.00 0.00 C ATOM 556 O ARG A 35 10.889 1.003 -0.923 1.00 0.00 O ATOM 557 CB ARG A 35 8.196 2.516 -2.164 1.00 0.00 C ATOM 558 CG ARG A 35 6.706 2.300 -2.399 1.00 0.00 C ATOM 559 CD ARG A 35 6.234 3.131 -3.590 1.00 0.00 C ATOM 560 NE ARG A 35 6.824 2.636 -4.819 1.00 0.00 N ATOM 561 CZ ARG A 35 6.572 1.417 -5.280 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.746 0.632 -4.649 1.00 0.00 N ATOM 563 NH2 ARG A 35 7.146 1.012 -6.366 1.00 0.00 N ATOM 0 H ARG A 35 7.269 3.151 -0.018 1.00 0.00 H new ATOM 0 HA ARG A 35 8.372 0.741 -0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.412 3.582 -2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.767 2.136 -3.011 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.509 1.244 -2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.146 2.579 -1.507 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.147 3.093 -3.660 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.507 4.176 -3.443 1.00 0.00 H new ATOM 0 HE ARG A 35 7.452 3.243 -5.345 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.289 0.953 -3.796 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.556 -0.304 -5.008 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.789 1.628 -6.864 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.956 0.076 -6.725 1.00 0.00 H new ATOM 577 N ASP A 36 10.541 3.154 -0.315 1.00 0.00 N ATOM 578 CA ASP A 36 11.952 3.462 -0.098 1.00 0.00 C ATOM 579 C ASP A 36 12.494 2.679 1.092 1.00 0.00 C ATOM 580 O ASP A 36 13.628 2.197 1.070 1.00 0.00 O ATOM 581 CB ASP A 36 12.118 4.957 0.148 1.00 0.00 C ATOM 582 CG ASP A 36 13.600 5.326 0.207 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.178 5.551 -0.844 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.136 5.373 1.303 1.00 0.00 O ATOM 0 H ASP A 36 9.911 3.937 -0.139 1.00 0.00 H new ATOM 0 HA ASP A 36 12.514 3.175 -0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.628 5.519 -0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.630 5.235 1.082 1.00 0.00 H new ATOM 589 N ASP A 37 11.662 2.562 2.122 1.00 0.00 N ATOM 590 CA ASP A 37 12.029 1.841 3.332 1.00 0.00 C ATOM 591 C ASP A 37 10.806 1.153 3.922 1.00 0.00 C ATOM 592 O ASP A 37 10.001 1.774 4.622 1.00 0.00 O ATOM 593 CB ASP A 37 12.655 2.796 4.362 1.00 0.00 C ATOM 594 CG ASP A 37 13.388 2.000 5.448 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.769 1.138 6.055 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.559 2.266 5.661 1.00 0.00 O ATOM 0 H ASP A 37 10.723 2.961 2.141 1.00 0.00 H new ATOM 0 HA ASP A 37 12.769 1.083 3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.351 3.472 3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.879 3.413 4.815 1.00 0.00 H new ATOM 601 N PRO A 38 10.649 -0.116 3.640 1.00 0.00 N ATOM 602 CA PRO A 38 9.500 -0.907 4.139 1.00 0.00 C ATOM 603 C PRO A 38 9.556 -1.167 5.639 1.00 0.00 C ATOM 604 O PRO A 38 8.524 -1.247 6.298 1.00 0.00 O ATOM 605 CB PRO A 38 9.553 -2.210 3.352 1.00 0.00 C ATOM 606 CG PRO A 38 10.713 -2.133 2.414 1.00 0.00 C ATOM 607 CD PRO A 38 11.554 -0.933 2.817 1.00 0.00 C ATOM 0 HA PRO A 38 8.566 -0.364 3.994 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.664 -3.059 4.027 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.625 -2.360 2.800 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.304 -3.048 2.461 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.367 -2.030 1.386 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.437 -1.237 3.379 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.905 -0.382 1.945 1.00 0.00 H new ATOM 615 N SER A 39 10.762 -1.284 6.178 1.00 0.00 N ATOM 616 CA SER A 39 10.925 -1.506 7.611 1.00 0.00 C ATOM 617 C SER A 39 10.364 -0.297 8.357 1.00 0.00 C ATOM 618 O SER A 39 9.869 -0.406 9.481 1.00 0.00 O ATOM 619 CB SER A 39 12.405 -1.695 7.957 1.00 0.00 C ATOM 620 OG SER A 39 12.524 -2.093 9.317 1.00 0.00 O ATOM 0 H SER A 39 11.634 -1.230 5.652 1.00 0.00 H new ATOM 0 HA SER A 39 10.389 -2.408 7.905 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.849 -2.448 7.306 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.951 -0.767 7.789 1.00 0.00 H new ATOM 0 HG SER A 39 13.470 -2.216 9.540 1.00 0.00 H new ATOM 626 N GLN A 40 10.450 0.853 7.688 1.00 0.00 N ATOM 627 CA GLN A 40 9.965 2.118 8.221 1.00 0.00 C ATOM 628 C GLN A 40 8.450 2.253 8.014 1.00 0.00 C ATOM 629 O GLN A 40 7.852 3.223 8.428 1.00 0.00 O ATOM 630 CB GLN A 40 10.697 3.261 7.491 1.00 0.00 C ATOM 631 CG GLN A 40 10.527 4.593 8.230 1.00 0.00 C ATOM 632 CD GLN A 40 11.420 5.655 7.597 1.00 0.00 C ATOM 633 OE1 GLN A 40 11.125 6.145 6.507 1.00 0.00 O ATOM 634 NE2 GLN A 40 12.501 6.040 8.217 1.00 0.00 N ATOM 0 H GLN A 40 10.861 0.929 6.757 1.00 0.00 H new ATOM 0 HA GLN A 40 10.162 2.161 9.292 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.757 3.022 7.407 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.310 3.354 6.476 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.485 4.911 8.190 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.783 4.470 9.282 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.743 5.633 9.120 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.104 6.749 7.799 1.00 0.00 H new ATOM 643 N SER A 41 7.845 1.276 7.350 1.00 0.00 N ATOM 644 CA SER A 41 6.413 1.309 7.036 1.00 0.00 C ATOM 645 C SER A 41 5.533 1.664 8.237 1.00 0.00 C ATOM 646 O SER A 41 4.595 2.454 8.105 1.00 0.00 O ATOM 647 CB SER A 41 6.018 -0.084 6.549 1.00 0.00 C ATOM 648 OG SER A 41 4.621 -0.147 6.346 1.00 0.00 O ATOM 0 H SER A 41 8.325 0.441 7.014 1.00 0.00 H new ATOM 0 HA SER A 41 6.255 2.084 6.286 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.540 -0.315 5.620 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.322 -0.833 7.280 1.00 0.00 H new ATOM 0 HG SER A 41 4.303 -1.054 6.539 1.00 0.00 H new ATOM 654 N ALA A 42 5.838 1.102 9.395 1.00 0.00 N ATOM 655 CA ALA A 42 5.069 1.385 10.600 1.00 0.00 C ATOM 656 C ALA A 42 5.254 2.837 11.006 1.00 0.00 C ATOM 657 O ALA A 42 4.340 3.477 11.522 1.00 0.00 O ATOM 658 CB ALA A 42 5.561 0.498 11.730 1.00 0.00 C ATOM 0 H ALA A 42 6.610 0.449 9.528 1.00 0.00 H new ATOM 0 HA ALA A 42 4.015 1.193 10.400 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.988 0.707 12.633 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.433 -0.548 11.453 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.616 0.697 11.916 1.00 0.00 H new ATOM 664 N ASN A 43 6.461 3.329 10.760 1.00 0.00 N ATOM 665 CA ASN A 43 6.832 4.690 11.082 1.00 0.00 C ATOM 666 C ASN A 43 6.111 5.680 10.185 1.00 0.00 C ATOM 667 O ASN A 43 5.763 6.778 10.592 1.00 0.00 O ATOM 668 CB ASN A 43 8.329 4.826 10.880 1.00 0.00 C ATOM 669 CG ASN A 43 8.825 6.184 11.364 1.00 0.00 C ATOM 670 OD1 ASN A 43 8.702 6.511 12.543 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.381 6.998 10.511 1.00 0.00 N ATOM 0 H ASN A 43 7.210 2.788 10.329 1.00 0.00 H new ATOM 0 HA ASN A 43 6.553 4.907 12.113 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.846 4.033 11.420 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.570 4.702 9.824 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.716 7.910 10.821 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.481 6.723 9.534 1.00 0.00 H new ATOM 678 N LEU A 44 5.921 5.263 8.953 1.00 0.00 N ATOM 679 CA LEU A 44 5.263 6.066 7.936 1.00 0.00 C ATOM 680 C LEU A 44 3.812 6.125 8.246 1.00 0.00 C ATOM 681 O LEU A 44 3.177 7.166 8.157 1.00 0.00 O ATOM 682 CB LEU A 44 5.553 5.415 6.597 1.00 0.00 C ATOM 683 CG LEU A 44 7.073 5.351 6.507 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.528 4.427 5.401 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.594 6.754 6.319 1.00 0.00 C ATOM 0 H LEU A 44 6.221 4.346 8.621 1.00 0.00 H new ATOM 0 HA LEU A 44 5.626 7.093 7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.112 4.420 6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.134 5.997 5.777 1.00 0.00 H new ATOM 0 HG LEU A 44 7.479 4.934 7.429 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.617 4.408 5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.153 3.421 5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.143 4.785 4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.682 6.732 6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.182 7.175 5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.295 7.370 7.167 1.00 0.00 H new ATOM 697 N LEU A 45 3.343 4.996 8.704 1.00 0.00 N ATOM 698 CA LEU A 45 1.983 4.869 9.166 1.00 0.00 C ATOM 699 C LEU A 45 1.846 5.754 10.394 1.00 0.00 C ATOM 700 O LEU A 45 0.833 6.411 10.605 1.00 0.00 O ATOM 701 CB LEU A 45 1.695 3.401 9.492 1.00 0.00 C ATOM 702 CG LEU A 45 0.470 3.269 10.406 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.764 3.859 9.716 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.243 1.788 10.712 1.00 0.00 C ATOM 0 H LEU A 45 3.890 4.138 8.768 1.00 0.00 H new ATOM 0 HA LEU A 45 1.264 5.181 8.409 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.525 2.847 8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.564 2.955 9.976 1.00 0.00 H new ATOM 0 HG LEU A 45 0.640 3.815 11.334 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.629 3.761 10.372 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.590 4.913 9.499 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.952 3.323 8.786 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.626 1.680 11.362 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.070 1.247 9.782 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.122 1.381 11.211 1.00 0.00 H new ATOM 716 N ALA A 46 2.920 5.780 11.172 1.00 0.00 N ATOM 717 CA ALA A 46 2.989 6.596 12.370 1.00 0.00 C ATOM 718 C ALA A 46 2.924 8.057 11.987 1.00 0.00 C ATOM 719 O ALA A 46 2.182 8.849 12.572 1.00 0.00 O ATOM 720 CB ALA A 46 4.314 6.350 13.090 1.00 0.00 C ATOM 0 H ALA A 46 3.764 5.237 10.989 1.00 0.00 H new ATOM 0 HA ALA A 46 2.155 6.335 13.022 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.360 6.965 13.988 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.388 5.298 13.367 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.141 6.611 12.429 1.00 0.00 H new ATOM 726 N GLU A 47 3.708 8.379 10.972 1.00 0.00 N ATOM 727 CA GLU A 47 3.781 9.710 10.437 1.00 0.00 C ATOM 728 C GLU A 47 2.445 10.099 9.863 1.00 0.00 C ATOM 729 O GLU A 47 2.012 11.234 9.972 1.00 0.00 O ATOM 730 CB GLU A 47 4.806 9.719 9.313 1.00 0.00 C ATOM 731 CG GLU A 47 6.233 9.826 9.841 1.00 0.00 C ATOM 732 CD GLU A 47 6.391 11.046 10.754 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.123 12.147 10.297 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.783 10.863 11.895 1.00 0.00 O ATOM 0 H GLU A 47 4.314 7.710 10.498 1.00 0.00 H new ATOM 0 HA GLU A 47 4.060 10.409 11.226 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.705 8.808 8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.603 10.556 8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.490 8.920 10.391 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.929 9.900 9.005 1.00 0.00 H new ATOM 741 N ALA A 48 1.807 9.128 9.244 1.00 0.00 N ATOM 742 CA ALA A 48 0.525 9.333 8.636 1.00 0.00 C ATOM 743 C ALA A 48 -0.510 9.594 9.701 1.00 0.00 C ATOM 744 O ALA A 48 -1.276 10.542 9.605 1.00 0.00 O ATOM 745 CB ALA A 48 0.178 8.091 7.846 1.00 0.00 C ATOM 0 H ALA A 48 2.168 8.179 9.152 1.00 0.00 H new ATOM 0 HA ALA A 48 0.549 10.197 7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.795 8.221 7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.935 7.924 7.080 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.143 7.232 8.516 1.00 0.00 H new ATOM 751 N LYS A 49 -0.495 8.765 10.739 1.00 0.00 N ATOM 752 CA LYS A 49 -1.408 8.941 11.851 1.00 0.00 C ATOM 753 C LYS A 49 -1.155 10.307 12.464 1.00 0.00 C ATOM 754 O LYS A 49 -2.072 10.947 12.969 1.00 0.00 O ATOM 755 CB LYS A 49 -1.197 7.839 12.902 1.00 0.00 C ATOM 756 CG LYS A 49 -1.638 6.478 12.336 1.00 0.00 C ATOM 757 CD LYS A 49 -3.163 6.330 12.446 1.00 0.00 C ATOM 758 CE LYS A 49 -3.616 5.051 11.728 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.960 3.865 12.351 1.00 0.00 N ATOM 0 H LYS A 49 0.138 7.970 10.829 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.437 8.873 11.498 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.147 7.798 13.192 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.767 8.070 13.802 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.331 6.392 11.294 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.146 5.672 12.881 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.459 6.293 13.494 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.654 7.198 12.006 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.700 4.953 11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.360 5.106 10.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.295 2.998 11.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.929 3.941 12.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.198 3.828 13.363 1.00 0.00 H new ATOM 773 N LYS A 50 0.107 10.750 12.389 1.00 0.00 N ATOM 774 CA LYS A 50 0.491 12.039 12.911 1.00 0.00 C ATOM 775 C LYS A 50 0.005 13.146 11.997 1.00 0.00 C ATOM 776 O LYS A 50 -0.495 14.175 12.456 1.00 0.00 O ATOM 777 CB LYS A 50 2.014 12.093 13.067 1.00 0.00 C ATOM 778 CG LYS A 50 2.432 13.360 13.820 1.00 0.00 C ATOM 779 CD LYS A 50 3.952 13.344 14.030 1.00 0.00 C ATOM 780 CE LYS A 50 4.667 13.745 12.734 1.00 0.00 C ATOM 781 NZ LYS A 50 6.132 13.515 12.884 1.00 0.00 N ATOM 0 H LYS A 50 0.871 10.222 11.968 1.00 0.00 H new ATOM 0 HA LYS A 50 0.030 12.184 13.888 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.362 11.211 13.606 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.487 12.074 12.085 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.140 14.246 13.256 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.921 13.412 14.781 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.223 14.031 14.832 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.274 12.350 14.339 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.280 13.163 11.898 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.474 14.794 12.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.640 13.998 12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.451 13.892 13.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.329 12.495 12.842 1.00 0.00 H new ATOM 795 N LEU A 51 0.157 12.917 10.699 1.00 0.00 N ATOM 796 CA LEU A 51 -0.265 13.887 9.707 1.00 0.00 C ATOM 797 C LEU A 51 -1.779 13.960 9.684 1.00 0.00 C ATOM 798 O LEU A 51 -2.365 15.040 9.651 1.00 0.00 O ATOM 799 CB LEU A 51 0.265 13.507 8.316 1.00 0.00 C ATOM 800 CG LEU A 51 1.581 14.242 8.004 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.404 15.757 8.183 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.705 13.731 8.919 1.00 0.00 C ATOM 0 H LEU A 51 0.569 12.068 10.313 1.00 0.00 H new ATOM 0 HA LEU A 51 0.143 14.862 9.973 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.426 12.430 8.267 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.481 13.753 7.560 1.00 0.00 H new ATOM 0 HG LEU A 51 1.852 14.042 6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.343 16.262 7.959 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.629 16.115 7.506 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.114 15.970 9.212 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.630 14.259 8.688 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.436 13.909 9.960 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.847 12.662 8.759 1.00 0.00 H new ATOM 814 N ASN A 52 -2.393 12.787 9.732 1.00 0.00 N ATOM 815 CA ASN A 52 -3.829 12.671 9.751 1.00 0.00 C ATOM 816 C ASN A 52 -4.360 13.315 11.008 1.00 0.00 C ATOM 817 O ASN A 52 -5.316 14.077 10.963 1.00 0.00 O ATOM 818 CB ASN A 52 -4.206 11.198 9.720 1.00 0.00 C ATOM 819 CG ASN A 52 -5.690 11.002 9.966 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.465 11.003 9.027 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.128 10.820 11.178 1.00 0.00 N ATOM 0 H ASN A 52 -1.902 11.893 9.759 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.260 13.171 8.884 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.936 10.772 8.754 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.636 10.659 10.476 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.124 10.677 11.344 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.475 10.820 11.962 1.00 0.00 H new ATOM 828 N ASP A 53 -3.709 13.006 12.128 1.00 0.00 N ATOM 829 CA ASP A 53 -4.114 13.575 13.401 1.00 0.00 C ATOM 830 C ASP A 53 -3.972 15.090 13.358 1.00 0.00 C ATOM 831 O ASP A 53 -4.847 15.822 13.823 1.00 0.00 O ATOM 832 CB ASP A 53 -3.279 13.000 14.547 1.00 0.00 C ATOM 833 CG ASP A 53 -3.580 13.743 15.851 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.626 13.491 16.426 1.00 0.00 O ATOM 835 OD2 ASP A 53 -2.765 14.559 16.247 1.00 0.00 O ATOM 0 H ASP A 53 -2.910 12.373 12.175 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.158 13.316 13.578 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.497 11.939 14.667 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.218 13.083 14.310 1.00 0.00 H new ATOM 840 N ALA A 54 -2.865 15.545 12.774 1.00 0.00 N ATOM 841 CA ALA A 54 -2.604 16.965 12.641 1.00 0.00 C ATOM 842 C ALA A 54 -3.675 17.600 11.759 1.00 0.00 C ATOM 843 O ALA A 54 -4.136 18.712 12.025 1.00 0.00 O ATOM 844 CB ALA A 54 -1.222 17.176 12.019 1.00 0.00 C ATOM 0 H ALA A 54 -2.137 14.944 12.387 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.627 17.434 13.625 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.027 18.244 11.920 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.463 16.726 12.659 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.191 16.708 11.035 1.00 0.00 H new ATOM 850 N GLN A 55 -4.077 16.864 10.719 1.00 0.00 N ATOM 851 CA GLN A 55 -5.108 17.330 9.798 1.00 0.00 C ATOM 852 C GLN A 55 -6.505 16.995 10.331 1.00 0.00 C ATOM 853 O GLN A 55 -7.513 17.423 9.765 1.00 0.00 O ATOM 854 CB GLN A 55 -4.890 16.670 8.437 1.00 0.00 C ATOM 855 CG GLN A 55 -3.651 17.277 7.768 1.00 0.00 C ATOM 856 CD GLN A 55 -3.241 16.430 6.574 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.843 15.208 6.774 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.285 16.887 5.433 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.701 15.942 10.497 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.038 18.413 9.699 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.761 15.595 8.559 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.766 16.816 7.805 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.863 18.296 7.446 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.831 17.333 8.484 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.598 17.846 5.279 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.009 16.307 4.640 1.00 0.00 H new ATOM 867 N ALA A 56 -6.548 16.232 11.424 1.00 0.00 N ATOM 868 CA ALA A 56 -7.812 15.838 12.044 1.00 0.00 C ATOM 869 C ALA A 56 -8.251 16.891 13.050 1.00 0.00 C ATOM 870 O ALA A 56 -7.430 17.379 13.827 1.00 0.00 O ATOM 871 CB ALA A 56 -7.661 14.484 12.751 1.00 0.00 C ATOM 0 H ALA A 56 -5.719 15.874 11.899 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.567 15.749 11.263 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.610 14.204 13.208 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.370 13.725 12.025 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.895 14.560 13.523 1.00 0.00 H new ATOM 981 N PHE B 5 -10.259 -11.921 2.120 1.00 0.00 N ATOM 982 CA PHE B 5 -9.102 -11.428 1.404 1.00 0.00 C ATOM 983 C PHE B 5 -8.498 -10.205 2.070 1.00 0.00 C ATOM 984 O PHE B 5 -7.565 -9.630 1.539 1.00 0.00 O ATOM 985 CB PHE B 5 -9.489 -11.116 -0.042 1.00 0.00 C ATOM 986 CG PHE B 5 -9.624 -12.423 -0.774 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.691 -13.273 -0.470 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.667 -12.803 -1.720 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.806 -14.505 -1.120 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.779 -14.036 -2.366 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.848 -14.886 -2.068 1.00 0.00 C ATOM 0 HA PHE B 5 -8.340 -12.207 1.418 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.426 -10.561 -0.075 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.731 -10.490 -0.514 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.425 -12.979 0.265 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.843 -12.144 -1.951 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.632 -15.162 -0.892 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -8.040 -14.333 -3.096 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.935 -15.838 -2.570 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.003 -9.817 3.244 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.426 -8.671 3.947 1.00 0.00 C ATOM 1003 C ASN B 6 -6.947 -8.955 4.166 1.00 0.00 C ATOM 1004 O ASN B 6 -6.099 -8.136 3.835 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.130 -8.458 5.294 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.750 -7.099 5.888 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -7.496 -6.738 5.938 1.00 0.00 O flip ATOM 1008 ND2 ASN B 6 -9.622 -6.344 6.314 1.00 0.00 N flip ATOM 0 H ASN B 6 -9.788 -10.265 3.716 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.556 -7.764 3.357 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.210 -8.514 5.159 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -8.854 -9.254 5.985 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -10.602 -6.624 6.276 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -9.365 -5.438 6.705 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.663 -10.155 4.673 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.289 -10.596 4.892 1.00 0.00 C ATOM 1017 C LYS B 7 -4.555 -10.684 3.558 1.00 0.00 C ATOM 1018 O LYS B 7 -3.407 -10.254 3.433 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.304 -11.976 5.565 1.00 0.00 C ATOM 1020 CG LYS B 7 -3.867 -12.486 5.762 1.00 0.00 C ATOM 1021 CD LYS B 7 -3.873 -13.815 6.536 1.00 0.00 C ATOM 1022 CE LYS B 7 -4.041 -14.997 5.568 1.00 0.00 C ATOM 1023 NZ LYS B 7 -5.432 -15.024 5.033 1.00 0.00 N ATOM 0 H LYS B 7 -7.370 -10.840 4.940 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.775 -9.880 5.533 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -5.811 -11.914 6.528 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -5.867 -12.681 4.953 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.387 -12.624 4.793 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.282 -11.744 6.305 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -2.943 -13.923 7.094 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.684 -13.815 7.265 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -3.329 -14.910 4.748 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -3.822 -15.933 6.082 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -5.766 -16.008 4.983 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -6.056 -14.478 5.661 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -5.446 -14.605 4.081 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.243 -11.258 2.575 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.694 -11.437 1.235 1.00 0.00 C ATOM 1039 C GLU B 8 -4.418 -10.090 0.570 1.00 0.00 C ATOM 1040 O GLU B 8 -3.451 -9.939 -0.181 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.706 -12.219 0.375 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.990 -13.599 0.997 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.694 -14.388 1.195 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.997 -14.607 0.219 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.414 -14.752 2.326 1.00 0.00 O ATOM 0 H GLU B 8 -6.194 -11.611 2.685 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.755 -11.985 1.318 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.634 -11.654 0.291 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.315 -12.342 -0.635 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.494 -13.473 1.956 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.667 -14.160 0.353 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.288 -9.125 0.848 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.180 -7.797 0.291 1.00 0.00 C ATOM 1054 C ARG B 9 -3.946 -7.095 0.845 1.00 0.00 C ATOM 1055 O ARG B 9 -3.241 -6.399 0.123 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.434 -6.997 0.651 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.407 -5.642 -0.054 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.648 -4.839 0.331 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.636 -4.571 1.766 1.00 0.00 N ATOM 1060 CZ ARG B 9 -8.740 -4.664 2.499 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.871 -4.201 2.046 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -8.688 -5.219 3.672 1.00 0.00 N ATOM 0 H ARG B 9 -6.088 -9.250 1.469 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.087 -7.867 -0.793 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.326 -7.551 0.358 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.487 -6.854 1.730 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.506 -5.094 0.224 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.374 -5.783 -1.134 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.672 -3.901 -0.224 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.548 -5.392 0.062 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.760 -4.306 2.216 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.911 -3.765 1.125 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.716 -4.275 2.613 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -7.803 -5.581 4.026 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -9.533 -5.293 4.239 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.708 -7.290 2.144 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.573 -6.665 2.822 1.00 0.00 C ATOM 1078 C VAL B 10 -1.262 -7.071 2.157 1.00 0.00 C ATOM 1079 O VAL B 10 -0.358 -6.252 2.000 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.540 -7.087 4.302 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.445 -6.308 5.033 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -3.910 -6.854 4.973 1.00 0.00 C ATOM 0 H VAL B 10 -4.287 -7.876 2.746 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.690 -5.584 2.753 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.319 -8.153 4.358 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.423 -6.608 6.081 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.479 -6.520 4.574 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.652 -5.240 4.966 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -3.860 -7.160 6.018 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.168 -5.796 4.917 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.671 -7.441 4.459 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.172 -8.339 1.766 1.00 0.00 N ATOM 1093 CA ILE B 11 0.029 -8.849 1.112 1.00 0.00 C ATOM 1094 C ILE B 11 0.180 -8.227 -0.271 1.00 0.00 C ATOM 1095 O ILE B 11 1.290 -7.890 -0.678 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.027 -10.378 1.020 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.317 -10.945 2.435 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.317 -10.903 0.472 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.506 -12.211 2.722 1.00 0.00 C ATOM 0 H ILE B 11 -1.913 -9.029 1.890 1.00 0.00 H new ATOM 0 HA ILE B 11 0.900 -8.574 1.707 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.818 -10.699 0.342 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.090 -10.186 3.184 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.379 -11.174 2.524 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.283 -11.990 0.405 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.495 -10.483 -0.518 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.124 -10.606 1.142 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.274 -12.577 3.722 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.260 -12.979 1.989 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.569 -11.976 2.659 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.944 -8.057 -0.980 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.914 -7.448 -2.303 1.00 0.00 C ATOM 1113 C ALA B 12 -0.435 -6.036 -2.183 1.00 0.00 C ATOM 1114 O ALA B 12 0.461 -5.640 -2.909 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.306 -7.462 -2.920 1.00 0.00 C ATOM 0 H ALA B 12 -1.872 -8.331 -0.658 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.239 -8.016 -2.944 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.270 -7.004 -3.909 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.654 -8.491 -3.009 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -2.991 -6.901 -2.285 1.00 0.00 H new ATOM 1121 N ILE B 13 -0.999 -5.305 -1.221 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.586 -3.933 -0.981 1.00 0.00 C ATOM 1123 C ILE B 13 0.899 -3.961 -0.703 1.00 0.00 C ATOM 1124 O ILE B 13 1.655 -3.173 -1.242 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.368 -3.365 0.223 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.853 -3.404 -0.096 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -0.996 -1.908 0.495 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.676 -3.232 1.170 1.00 0.00 C ATOM 0 H ILE B 13 -1.737 -5.642 -0.603 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.792 -3.294 -1.839 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.123 -3.968 1.097 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.099 -2.615 -0.806 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.103 -4.351 -0.573 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.565 -1.540 1.349 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.070 -1.839 0.713 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.227 -1.304 -0.382 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.737 -3.263 0.921 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.443 -4.037 1.867 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.439 -2.273 1.631 1.00 0.00 H new ATOM 1140 N GLY B 14 1.308 -4.937 0.092 1.00 0.00 N ATOM 1141 CA GLY B 14 2.716 -5.123 0.401 1.00 0.00 C ATOM 1142 C GLY B 14 3.519 -5.379 -0.867 1.00 0.00 C ATOM 1143 O GLY B 14 4.615 -4.853 -1.028 1.00 0.00 O ATOM 0 H GLY B 14 0.685 -5.612 0.535 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.101 -4.239 0.908 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.835 -5.961 1.087 1.00 0.00 H new ATOM 1147 N GLU B 15 2.964 -6.187 -1.766 1.00 0.00 N ATOM 1148 CA GLU B 15 3.641 -6.514 -3.004 1.00 0.00 C ATOM 1149 C GLU B 15 3.770 -5.284 -3.872 1.00 0.00 C ATOM 1150 O GLU B 15 4.836 -5.043 -4.430 1.00 0.00 O ATOM 1151 CB GLU B 15 2.874 -7.603 -3.746 1.00 0.00 C ATOM 1152 CG GLU B 15 3.809 -8.370 -4.703 1.00 0.00 C ATOM 1153 CD GLU B 15 3.613 -9.878 -4.534 1.00 0.00 C ATOM 1154 OE1 GLU B 15 2.504 -10.343 -4.745 1.00 0.00 O ATOM 1155 OE2 GLU B 15 4.577 -10.545 -4.195 1.00 0.00 O ATOM 0 H GLU B 15 2.049 -6.624 -1.655 1.00 0.00 H new ATOM 0 HA GLU B 15 4.640 -6.882 -2.771 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.431 -8.295 -3.030 1.00 0.00 H new ATOM 0 HB3 GLU B 15 2.054 -7.158 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.603 -8.082 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.847 -8.105 -4.500 1.00 0.00 H new ATOM 1162 N ILE B 16 2.691 -4.494 -3.986 1.00 0.00 N ATOM 1163 CA ILE B 16 2.784 -3.283 -4.829 1.00 0.00 C ATOM 1164 C ILE B 16 3.925 -2.405 -4.315 1.00 0.00 C ATOM 1165 O ILE B 16 4.794 -1.970 -5.070 1.00 0.00 O ATOM 1166 CB ILE B 16 1.523 -2.370 -4.789 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.208 -3.139 -4.636 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.456 -1.543 -6.074 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.119 -3.894 -5.913 1.00 0.00 C ATOM 0 H ILE B 16 1.790 -4.653 -3.535 1.00 0.00 H new ATOM 0 HA ILE B 16 2.922 -3.655 -5.844 1.00 0.00 H new ATOM 0 HB ILE B 16 1.630 -1.739 -3.907 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.283 -3.838 -3.803 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.600 -2.446 -4.399 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.574 -0.903 -6.049 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.351 -0.926 -6.156 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.395 -2.211 -6.934 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.057 -4.435 -5.786 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.216 -3.188 -6.738 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.681 -4.601 -6.132 1.00 0.00 H new ATOM 1181 N MET B 17 3.879 -2.156 -3.013 1.00 0.00 N ATOM 1182 CA MET B 17 4.866 -1.332 -2.326 1.00 0.00 C ATOM 1183 C MET B 17 6.269 -1.934 -2.456 1.00 0.00 C ATOM 1184 O MET B 17 7.253 -1.203 -2.587 1.00 0.00 O ATOM 1185 CB MET B 17 4.439 -1.211 -0.871 1.00 0.00 C ATOM 1186 CG MET B 17 2.996 -0.681 -0.815 1.00 0.00 C ATOM 1187 SD MET B 17 2.959 1.035 -1.335 1.00 0.00 S ATOM 1188 CE MET B 17 3.890 1.660 0.062 1.00 0.00 C ATOM 0 H MET B 17 3.151 -2.522 -2.399 1.00 0.00 H new ATOM 0 HA MET B 17 4.913 -0.341 -2.778 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.503 -2.181 -0.378 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.109 -0.537 -0.337 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.353 -1.280 -1.460 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.604 -0.772 0.198 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.278 2.370 0.618 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.168 0.832 0.714 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.791 2.159 -0.295 1.00 0.00 H new ATOM 1198 N ARG B 18 6.346 -3.269 -2.453 1.00 0.00 N ATOM 1199 CA ARG B 18 7.620 -3.969 -2.604 1.00 0.00 C ATOM 1200 C ARG B 18 8.181 -3.829 -4.016 1.00 0.00 C ATOM 1201 O ARG B 18 9.398 -3.747 -4.192 1.00 0.00 O ATOM 1202 CB ARG B 18 7.452 -5.430 -2.261 1.00 0.00 C ATOM 1203 CG ARG B 18 7.572 -5.592 -0.745 1.00 0.00 C ATOM 1204 CD ARG B 18 8.258 -6.903 -0.446 1.00 0.00 C ATOM 1205 NE ARG B 18 7.434 -8.015 -0.918 1.00 0.00 N ATOM 1206 CZ ARG B 18 7.892 -8.905 -1.789 1.00 0.00 C ATOM 1207 NH1 ARG B 18 8.979 -9.575 -1.531 1.00 0.00 N ATOM 1208 NH2 ARG B 18 7.247 -9.113 -2.902 1.00 0.00 N ATOM 0 H ARG B 18 5.539 -3.884 -2.347 1.00 0.00 H new ATOM 0 HA ARG B 18 8.331 -3.511 -1.917 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.482 -5.790 -2.604 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.211 -6.027 -2.767 1.00 0.00 H new ATOM 0 HG2 ARG B 18 8.140 -4.764 -0.321 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.584 -5.570 -0.284 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.234 -6.931 -0.930 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.431 -6.997 0.626 1.00 0.00 H new ATOM 0 HE ARG B 18 6.481 -8.109 -0.568 1.00 0.00 H new ATOM 0 HH11 ARG B 18 9.481 -9.416 -0.657 1.00 0.00 H new ATOM 0 HH12 ARG B 18 9.328 -10.258 -2.203 1.00 0.00 H new ATOM 0 HH21 ARG B 18 6.393 -8.592 -3.101 1.00 0.00 H new ATOM 0 HH22 ARG B 18 7.596 -9.796 -3.574 1.00 0.00 H new ATOM 1222 N LEU B 19 7.291 -3.802 -5.019 1.00 0.00 N ATOM 1223 CA LEU B 19 7.724 -3.669 -6.411 1.00 0.00 C ATOM 1224 C LEU B 19 8.573 -2.412 -6.564 1.00 0.00 C ATOM 1225 O LEU B 19 8.074 -1.308 -6.379 1.00 0.00 O ATOM 1226 CB LEU B 19 6.514 -3.577 -7.352 1.00 0.00 C ATOM 1227 CG LEU B 19 5.764 -4.911 -7.439 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.462 -4.716 -8.210 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.608 -5.938 -8.169 1.00 0.00 C ATOM 0 H LEU B 19 6.281 -3.870 -4.892 1.00 0.00 H new ATOM 0 HA LEU B 19 8.309 -4.550 -6.675 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.836 -2.800 -6.999 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.848 -3.281 -8.347 1.00 0.00 H new ATOM 0 HG LEU B 19 5.555 -5.260 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.930 -5.665 -8.271 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.840 -3.984 -7.695 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.685 -4.359 -9.216 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.065 -6.882 -8.225 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.823 -5.583 -9.177 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.544 -6.089 -7.631 1.00 0.00 H new ATOM 1241 N PRO B 20 9.844 -2.554 -6.868 1.00 0.00 N ATOM 1242 CA PRO B 20 10.767 -1.397 -7.011 1.00 0.00 C ATOM 1243 C PRO B 20 10.601 -0.615 -8.320 1.00 0.00 C ATOM 1244 O PRO B 20 11.199 0.452 -8.470 1.00 0.00 O ATOM 1245 CB PRO B 20 12.166 -2.026 -6.928 1.00 0.00 C ATOM 1246 CG PRO B 20 11.986 -3.494 -6.727 1.00 0.00 C ATOM 1247 CD PRO B 20 10.557 -3.820 -7.111 1.00 0.00 C ATOM 0 HA PRO B 20 10.568 -0.653 -6.239 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.729 -1.830 -7.840 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.733 -1.593 -6.104 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.689 -4.057 -7.342 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.179 -3.768 -5.690 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.481 -4.131 -8.153 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.153 -4.632 -6.506 1.00 0.00 H new ATOM 1255 N ASN B 21 9.817 -1.140 -9.269 1.00 0.00 N ATOM 1256 CA ASN B 21 9.639 -0.455 -10.552 1.00 0.00 C ATOM 1257 C ASN B 21 8.333 0.343 -10.602 1.00 0.00 C ATOM 1258 O ASN B 21 8.189 1.227 -11.449 1.00 0.00 O ATOM 1259 CB ASN B 21 9.678 -1.467 -11.700 1.00 0.00 C ATOM 1260 CG ASN B 21 10.972 -2.280 -11.656 1.00 0.00 C ATOM 1261 OD1 ASN B 21 10.948 -3.538 -11.992 1.00 0.00 O flip ATOM 1262 ND2 ASN B 21 12.032 -1.755 -11.316 1.00 0.00 N flip ATOM 0 H ASN B 21 9.306 -2.018 -9.176 1.00 0.00 H new ATOM 0 HA ASN B 21 10.461 0.252 -10.660 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.820 -2.135 -11.632 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.602 -0.946 -12.654 1.00 0.00 H new ATOM 0 HD21 ASN B 21 12.052 -0.770 -11.053 1.00 0.00 H new ATOM 0 HD22 ASN B 21 12.891 -2.305 -11.298 1.00 0.00 H new ATOM 1269 N LEU B 22 7.384 0.049 -9.700 1.00 0.00 N ATOM 1270 CA LEU B 22 6.116 0.786 -9.692 1.00 0.00 C ATOM 1271 C LEU B 22 6.306 2.206 -9.175 1.00 0.00 C ATOM 1272 O LEU B 22 7.258 2.507 -8.454 1.00 0.00 O ATOM 1273 CB LEU B 22 5.046 0.099 -8.816 1.00 0.00 C ATOM 1274 CG LEU B 22 4.680 -1.293 -9.335 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.367 -1.758 -8.691 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.493 -1.242 -10.833 1.00 0.00 C ATOM 0 H LEU B 22 7.467 -0.674 -8.986 1.00 0.00 H new ATOM 0 HA LEU B 22 5.776 0.803 -10.727 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.414 0.018 -7.793 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.151 0.720 -8.785 1.00 0.00 H new ATOM 0 HG LEU B 22 5.482 -1.987 -9.083 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.110 -2.750 -9.064 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.487 -1.797 -7.608 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.570 -1.058 -8.943 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.232 -2.234 -11.201 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.693 -0.543 -11.076 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.419 -0.912 -11.304 1.00 0.00 H new ATOM 1288 N ASN B 23 5.357 3.060 -9.536 1.00 0.00 N ATOM 1289 CA ASN B 23 5.351 4.449 -9.102 1.00 0.00 C ATOM 1290 C ASN B 23 4.498 4.528 -7.832 1.00 0.00 C ATOM 1291 O ASN B 23 3.615 3.695 -7.639 1.00 0.00 O ATOM 1292 CB ASN B 23 4.784 5.297 -10.278 1.00 0.00 C ATOM 1293 CG ASN B 23 3.810 6.396 -9.858 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.988 7.046 -8.847 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.782 6.652 -10.619 1.00 0.00 N ATOM 0 H ASN B 23 4.572 2.809 -10.137 1.00 0.00 H new ATOM 0 HA ASN B 23 6.341 4.836 -8.860 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.616 5.753 -10.814 1.00 0.00 H new ATOM 0 HB3 ASN B 23 4.280 4.631 -10.979 1.00 0.00 H new ATOM 0 HD21 ASN B 23 2.132 7.395 -10.364 1.00 0.00 H new ATOM 0 HD22 ASN B 23 2.629 6.109 -11.469 1.00 0.00 H new ATOM 1302 N SER B 24 4.746 5.522 -6.974 1.00 0.00 N ATOM 1303 CA SER B 24 3.964 5.657 -5.741 1.00 0.00 C ATOM 1304 C SER B 24 2.494 5.864 -6.093 1.00 0.00 C ATOM 1305 O SER B 24 1.608 5.259 -5.490 1.00 0.00 O ATOM 1306 CB SER B 24 4.494 6.820 -4.897 1.00 0.00 C ATOM 1307 OG SER B 24 4.602 7.979 -5.707 1.00 0.00 O ATOM 0 H SER B 24 5.467 6.232 -7.105 1.00 0.00 H new ATOM 0 HA SER B 24 4.059 4.746 -5.150 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.824 7.010 -4.058 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.467 6.565 -4.476 1.00 0.00 H new ATOM 0 HG SER B 24 5.217 8.616 -5.287 1.00 0.00 H new ATOM 1313 N LEU B 25 2.260 6.682 -7.116 1.00 0.00 N ATOM 1314 CA LEU B 25 0.919 6.935 -7.611 1.00 0.00 C ATOM 1315 C LEU B 25 0.387 5.685 -8.305 1.00 0.00 C ATOM 1316 O LEU B 25 -0.795 5.359 -8.183 1.00 0.00 O ATOM 1317 CB LEU B 25 0.914 8.121 -8.587 1.00 0.00 C ATOM 1318 CG LEU B 25 0.111 9.276 -8.012 1.00 0.00 C ATOM 1319 CD1 LEU B 25 0.080 10.439 -9.011 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.306 8.792 -7.727 1.00 0.00 C ATOM 0 H LEU B 25 2.992 7.183 -7.619 1.00 0.00 H new ATOM 0 HA LEU B 25 0.275 7.184 -6.767 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.937 8.443 -8.784 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.488 7.813 -9.542 1.00 0.00 H new ATOM 0 HG LEU B 25 0.573 9.626 -7.089 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.497 11.263 -8.592 1.00 0.00 H new ATOM 0 HD12 LEU B 25 1.098 10.774 -9.211 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.383 10.108 -9.941 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.894 9.611 -7.314 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -1.766 8.447 -8.653 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.273 7.971 -7.010 1.00 0.00 H new ATOM 1332 N GLN B 26 1.275 4.967 -9.010 1.00 0.00 N ATOM 1333 CA GLN B 26 0.866 3.728 -9.684 1.00 0.00 C ATOM 1334 C GLN B 26 0.440 2.717 -8.638 1.00 0.00 C ATOM 1335 O GLN B 26 -0.496 1.944 -8.830 1.00 0.00 O ATOM 1336 CB GLN B 26 2.028 3.111 -10.458 1.00 0.00 C ATOM 1337 CG GLN B 26 1.978 3.473 -11.947 1.00 0.00 C ATOM 1338 CD GLN B 26 3.190 2.876 -12.652 1.00 0.00 C ATOM 1339 OE1 GLN B 26 4.014 2.116 -11.981 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.386 3.095 -13.847 1.00 0.00 N flip ATOM 0 H GLN B 26 2.257 5.216 -9.126 1.00 0.00 H new ATOM 0 HA GLN B 26 0.055 3.971 -10.370 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.971 3.454 -10.032 1.00 0.00 H new ATOM 0 HB3 GLN B 26 2.004 2.027 -10.347 1.00 0.00 H new ATOM 0 HG2 GLN B 26 1.059 3.094 -12.394 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.969 4.556 -12.070 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.741 3.689 -14.369 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.193 2.683 -14.315 1.00 0.00 H new ATOM 1349 N VAL B 27 1.160 2.745 -7.528 1.00 0.00 N ATOM 1350 CA VAL B 27 0.893 1.851 -6.426 1.00 0.00 C ATOM 1351 C VAL B 27 -0.457 2.173 -5.844 1.00 0.00 C ATOM 1352 O VAL B 27 -1.251 1.278 -5.591 1.00 0.00 O ATOM 1353 CB VAL B 27 2.017 1.951 -5.391 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.650 1.184 -4.110 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.281 1.345 -6.011 1.00 0.00 C ATOM 0 H VAL B 27 1.939 3.385 -7.371 1.00 0.00 H new ATOM 0 HA VAL B 27 0.868 0.817 -6.771 1.00 0.00 H new ATOM 0 HB VAL B 27 2.178 2.995 -5.122 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.463 1.269 -3.389 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.740 1.605 -3.682 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.486 0.133 -4.349 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.101 1.402 -5.295 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.096 0.302 -6.268 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.546 1.899 -6.911 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.735 3.461 -5.706 1.00 0.00 N ATOM 1366 CA VAL B 28 -2.024 3.897 -5.226 1.00 0.00 C ATOM 1367 C VAL B 28 -3.091 3.387 -6.196 1.00 0.00 C ATOM 1368 O VAL B 28 -4.194 3.042 -5.791 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.075 5.427 -5.130 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.457 5.844 -4.623 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.986 5.933 -4.165 1.00 0.00 C ATOM 0 H VAL B 28 -0.083 4.215 -5.921 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.203 3.498 -4.228 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.896 5.862 -6.113 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.505 6.931 -4.551 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.220 5.492 -5.317 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.631 5.407 -3.640 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.031 7.020 -4.104 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.150 5.507 -3.175 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.005 5.630 -4.532 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.732 3.329 -7.481 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.638 2.846 -8.510 1.00 0.00 C ATOM 1383 C ALA B 29 -4.059 1.422 -8.183 1.00 0.00 C ATOM 1384 O ALA B 29 -5.242 1.075 -8.257 1.00 0.00 O ATOM 1385 CB ALA B 29 -2.927 2.876 -9.873 1.00 0.00 C ATOM 0 H ALA B 29 -1.816 3.613 -7.828 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.521 3.484 -8.550 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.606 2.514 -10.645 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.626 3.898 -10.104 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.044 2.237 -9.837 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.076 0.606 -7.801 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.325 -0.757 -7.450 1.00 0.00 C ATOM 1393 C PHE B 30 -3.987 -0.848 -6.073 1.00 0.00 C ATOM 1394 O PHE B 30 -4.965 -1.567 -5.914 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.992 -1.520 -7.510 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.481 -1.515 -8.952 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.265 -2.055 -9.998 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.234 -0.930 -9.263 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.807 -1.999 -11.312 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.211 -0.891 -10.583 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.576 -1.421 -11.605 1.00 0.00 C ATOM 0 H PHE B 30 -2.098 0.886 -7.732 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.022 -1.212 -8.154 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.261 -1.054 -6.850 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.128 -2.544 -7.162 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.219 -2.511 -9.778 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.376 -0.512 -8.476 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.411 -2.407 -12.109 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.169 -0.449 -10.815 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.229 -1.383 -12.627 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.482 -0.086 -5.091 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.062 -0.096 -3.740 1.00 0.00 C ATOM 1413 C ILE B 31 -5.536 0.295 -3.802 1.00 0.00 C ATOM 1414 O ILE B 31 -6.398 -0.383 -3.243 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.312 0.891 -2.826 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.843 0.468 -2.669 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.967 0.911 -1.439 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.050 1.619 -2.037 1.00 0.00 C ATOM 0 H ILE B 31 -2.683 0.538 -5.205 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.968 -1.103 -3.332 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.358 1.881 -3.279 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.774 -0.423 -2.045 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.421 0.210 -3.640 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.434 1.610 -0.795 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.007 1.224 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.926 -0.087 -1.003 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.007 1.323 -1.924 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.110 2.498 -2.679 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.468 1.855 -1.059 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.810 1.383 -4.505 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.169 1.869 -4.669 1.00 0.00 C ATOM 1432 C ASN B 32 -8.042 0.823 -5.359 1.00 0.00 C ATOM 1433 O ASN B 32 -9.244 0.752 -5.100 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.152 3.150 -5.505 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.521 3.821 -5.503 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.300 3.673 -4.560 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.850 4.556 -6.517 1.00 0.00 N ATOM 0 H ASN B 32 -5.103 1.949 -4.974 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.587 2.072 -3.683 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.405 3.838 -5.108 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -6.859 2.917 -6.529 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.759 5.017 -6.539 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -8.200 4.674 -7.294 1.00 0.00 H new ATOM 1444 N SER B 33 -7.435 0.003 -6.228 1.00 0.00 N ATOM 1445 CA SER B 33 -8.169 -1.022 -6.920 1.00 0.00 C ATOM 1446 C SER B 33 -8.479 -2.159 -5.960 1.00 0.00 C ATOM 1447 O SER B 33 -9.506 -2.815 -6.094 1.00 0.00 O ATOM 1448 CB SER B 33 -7.407 -1.472 -8.152 1.00 0.00 C ATOM 1449 OG SER B 33 -7.670 -0.570 -9.219 1.00 0.00 O ATOM 0 H SER B 33 -6.442 0.043 -6.456 1.00 0.00 H new ATOM 0 HA SER B 33 -9.123 -0.631 -7.274 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.338 -1.504 -7.942 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.707 -2.482 -8.431 1.00 0.00 H new ATOM 0 HG SER B 33 -7.002 0.147 -9.214 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.615 -2.355 -4.949 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.886 -3.378 -3.939 1.00 0.00 C ATOM 1457 C LEU B 34 -9.160 -2.943 -3.231 1.00 0.00 C ATOM 1458 O LEU B 34 -10.079 -3.729 -3.015 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.757 -3.484 -2.904 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.380 -3.450 -3.576 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.294 -3.720 -2.560 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.295 -4.497 -4.654 1.00 0.00 C ATOM 0 H LEU B 34 -6.749 -1.833 -4.815 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.974 -4.353 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.836 -2.663 -2.191 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.865 -4.409 -2.338 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.244 -2.460 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.321 -3.693 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.328 -2.959 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.448 -4.703 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.311 -4.459 -5.121 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.452 -5.483 -4.217 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.061 -4.308 -5.406 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.198 -1.642 -2.930 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.366 -1.015 -2.305 1.00 0.00 C ATOM 1476 C ARG B 35 -11.586 -1.257 -3.190 1.00 0.00 C ATOM 1477 O ARG B 35 -12.660 -1.633 -2.715 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.125 0.505 -2.205 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.098 0.981 -0.745 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.794 1.735 -0.470 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.535 1.791 0.962 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.329 2.474 1.778 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.407 1.920 2.250 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -9.026 3.698 2.108 1.00 0.00 N ATOM 0 H ARG B 35 -8.427 -0.999 -3.111 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.528 -1.436 -1.313 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.180 0.756 -2.687 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.910 1.034 -2.746 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -10.952 1.629 -0.548 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.184 0.127 -0.073 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -7.966 1.240 -0.977 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.858 2.745 -0.875 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.729 1.297 1.345 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.642 0.961 1.993 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -11.017 2.444 2.877 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.179 4.131 1.739 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.636 4.223 2.735 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.381 -1.036 -4.487 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.420 -1.218 -5.491 1.00 0.00 C ATOM 1500 C ASP B 36 -12.828 -2.688 -5.599 1.00 0.00 C ATOM 1501 O ASP B 36 -14.001 -3.005 -5.808 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.887 -0.722 -6.846 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.578 0.785 -6.808 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -12.152 1.486 -5.986 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.765 1.218 -7.608 1.00 0.00 O ATOM 0 H ASP B 36 -10.488 -0.725 -4.869 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.302 -0.647 -5.200 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -10.984 -1.274 -7.108 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.622 -0.925 -7.625 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.842 -3.576 -5.462 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.074 -5.016 -5.552 1.00 0.00 C ATOM 1512 C ASP B 37 -11.040 -5.782 -4.737 1.00 0.00 C ATOM 1513 O ASP B 37 -9.963 -6.127 -5.235 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.018 -5.469 -7.018 1.00 0.00 C ATOM 1515 CG ASP B 37 -13.428 -5.628 -7.580 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -14.004 -6.687 -7.389 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -13.910 -4.691 -8.195 1.00 0.00 O ATOM 0 H ASP B 37 -10.870 -3.320 -5.287 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.063 -5.228 -5.147 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.464 -4.740 -7.610 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -11.481 -6.415 -7.093 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.360 -6.066 -3.500 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.460 -6.828 -2.601 1.00 0.00 C ATOM 1524 C PRO B 38 -10.348 -8.285 -3.033 1.00 0.00 C ATOM 1525 O PRO B 38 -9.344 -8.949 -2.768 1.00 0.00 O ATOM 1526 CB PRO B 38 -11.101 -6.717 -1.219 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.336 -5.883 -1.352 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.618 -5.693 -2.835 1.00 0.00 C ATOM 0 HA PRO B 38 -9.444 -6.434 -2.617 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.348 -7.706 -0.832 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.407 -6.262 -0.512 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.179 -6.371 -0.863 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.199 -4.918 -0.864 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.444 -6.323 -3.166 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.894 -4.662 -3.058 1.00 0.00 H new ATOM 1536 N SER B 39 -11.388 -8.764 -3.721 1.00 0.00 N ATOM 1537 CA SER B 39 -11.411 -10.133 -4.216 1.00 0.00 C ATOM 1538 C SER B 39 -10.355 -10.284 -5.293 1.00 0.00 C ATOM 1539 O SER B 39 -9.651 -11.293 -5.357 1.00 0.00 O ATOM 1540 CB SER B 39 -12.792 -10.465 -4.788 1.00 0.00 C ATOM 1541 OG SER B 39 -13.783 -10.204 -3.802 1.00 0.00 O ATOM 0 H SER B 39 -12.222 -8.221 -3.945 1.00 0.00 H new ATOM 0 HA SER B 39 -11.202 -10.820 -3.396 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.983 -9.867 -5.679 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.831 -11.511 -5.092 1.00 0.00 H new ATOM 0 HG SER B 39 -14.669 -10.414 -4.165 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.245 -9.245 -6.123 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.271 -9.221 -7.194 1.00 0.00 C ATOM 1549 C GLN B 40 -8.067 -8.393 -6.787 1.00 0.00 C ATOM 1550 O GLN B 40 -7.337 -7.903 -7.646 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.873 -8.682 -8.505 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.414 -8.743 -8.488 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.980 -7.911 -9.634 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.535 -6.702 -9.825 1.00 0.00 O flip ATOM 1555 NE2 GLN B 40 -12.845 -8.376 -10.375 1.00 0.00 N flip ATOM 0 H GLN B 40 -10.826 -8.409 -6.066 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.956 -10.248 -7.377 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.551 -7.652 -8.658 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.494 -9.263 -9.346 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.747 -9.777 -8.579 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.791 -8.370 -7.536 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.191 -9.323 -10.223 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.216 -7.814 -11.142 1.00 0.00 H new ATOM 1564 N SER B 41 -7.836 -8.250 -5.473 1.00 0.00 N ATOM 1565 CA SER B 41 -6.688 -7.496 -5.006 1.00 0.00 C ATOM 1566 C SER B 41 -5.426 -8.066 -5.637 1.00 0.00 C ATOM 1567 O SER B 41 -4.473 -7.350 -5.930 1.00 0.00 O ATOM 1568 CB SER B 41 -6.597 -7.608 -3.477 1.00 0.00 C ATOM 1569 OG SER B 41 -5.333 -7.136 -3.027 1.00 0.00 O ATOM 0 H SER B 41 -8.422 -8.642 -4.736 1.00 0.00 H new ATOM 0 HA SER B 41 -6.793 -6.448 -5.287 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.396 -7.029 -3.014 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.737 -8.645 -3.172 1.00 0.00 H new ATOM 0 HG SER B 41 -4.753 -7.899 -2.822 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.474 -9.368 -5.848 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.394 -10.117 -6.462 1.00 0.00 C ATOM 1577 C ALA B 42 -4.315 -9.835 -7.966 1.00 0.00 C ATOM 1578 O ALA B 42 -3.261 -9.989 -8.576 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.659 -11.603 -6.248 1.00 0.00 C ATOM 0 H ALA B 42 -6.277 -9.944 -5.594 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.450 -9.818 -6.007 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.857 -12.185 -6.703 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.700 -11.815 -5.180 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.609 -11.873 -6.708 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.462 -9.460 -8.546 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.582 -9.193 -9.977 1.00 0.00 C ATOM 1587 C ASN B 43 -4.873 -7.925 -10.396 1.00 0.00 C ATOM 1588 O ASN B 43 -4.049 -7.936 -11.304 1.00 0.00 O ATOM 1589 CB ASN B 43 -7.042 -9.049 -10.313 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.267 -9.219 -11.813 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -6.860 -8.290 -12.633 1.00 0.00 O flip ATOM 1592 ND2 ASN B 43 -7.819 -10.229 -12.248 1.00 0.00 N flip ATOM 0 H ASN B 43 -6.333 -9.334 -8.031 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.118 -10.025 -10.507 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.622 -9.793 -9.766 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.399 -8.070 -9.995 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -8.136 -10.954 -11.605 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -7.959 -10.341 -13.252 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.194 -6.826 -9.727 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.563 -5.578 -10.039 1.00 0.00 C ATOM 1601 C LEU B 44 -3.152 -5.634 -9.485 1.00 0.00 C ATOM 1602 O LEU B 44 -2.236 -5.034 -10.020 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.413 -4.358 -9.613 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.543 -4.162 -8.111 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.462 -5.214 -7.525 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.193 -4.146 -7.419 1.00 0.00 C ATOM 0 H LEU B 44 -5.882 -6.786 -8.975 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.488 -5.428 -11.116 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.974 -3.459 -10.045 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.411 -4.462 -10.039 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.987 -3.182 -7.936 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.548 -5.064 -6.449 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.448 -5.131 -7.982 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.053 -6.205 -7.722 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.335 -4.004 -6.348 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.683 -5.093 -7.595 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.590 -3.330 -7.817 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.977 -6.445 -8.441 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.659 -6.675 -7.891 1.00 0.00 C ATOM 1620 C LEU B 45 -0.885 -7.356 -8.998 1.00 0.00 C ATOM 1621 O LEU B 45 0.293 -7.103 -9.232 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.749 -7.595 -6.667 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.446 -8.385 -6.482 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.710 -7.415 -6.259 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.574 -9.337 -5.283 1.00 0.00 C ATOM 0 H LEU B 45 -3.730 -6.946 -7.969 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.183 -5.750 -7.565 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.950 -7.002 -5.775 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.584 -8.285 -6.786 1.00 0.00 H new ATOM 0 HG LEU B 45 -0.252 -8.975 -7.378 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.635 -7.976 -6.128 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.804 -6.757 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.518 -6.818 -5.367 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.355 -9.893 -5.159 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.774 -8.760 -4.380 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.394 -10.034 -5.458 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.620 -8.199 -9.709 1.00 0.00 N ATOM 1638 CA ALA B 46 -1.075 -8.911 -10.844 1.00 0.00 C ATOM 1639 C ALA B 46 -0.664 -7.869 -11.870 1.00 0.00 C ATOM 1640 O ALA B 46 0.431 -7.916 -12.424 1.00 0.00 O ATOM 1641 CB ALA B 46 -2.132 -9.858 -11.434 1.00 0.00 C ATOM 0 H ALA B 46 -2.600 -8.404 -9.514 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.219 -9.517 -10.548 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.710 -10.388 -12.288 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.439 -10.578 -10.676 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.998 -9.280 -11.758 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.556 -6.895 -12.057 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.313 -5.785 -12.957 1.00 0.00 C ATOM 1649 C GLU B 47 -0.103 -4.992 -12.475 1.00 0.00 C ATOM 1650 O GLU B 47 0.638 -4.431 -13.271 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.526 -4.837 -12.988 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.770 -5.520 -13.545 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.510 -6.129 -14.926 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.020 -5.421 -15.791 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.807 -7.301 -15.094 1.00 0.00 O ATOM 0 H GLU B 47 -2.461 -6.860 -11.588 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.137 -6.187 -13.955 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.731 -4.477 -11.980 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.289 -3.964 -13.596 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.095 -6.301 -12.858 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.583 -4.797 -13.613 1.00 0.00 H new ATOM 1662 N ALA B 48 0.058 -4.938 -11.150 1.00 0.00 N ATOM 1663 CA ALA B 48 1.137 -4.201 -10.528 1.00 0.00 C ATOM 1664 C ALA B 48 2.462 -4.876 -10.746 1.00 0.00 C ATOM 1665 O ALA B 48 3.425 -4.250 -11.153 1.00 0.00 O ATOM 1666 CB ALA B 48 0.880 -4.172 -9.035 1.00 0.00 C ATOM 0 H ALA B 48 -0.560 -5.407 -10.488 1.00 0.00 H new ATOM 0 HA ALA B 48 1.173 -3.203 -10.964 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.679 -3.622 -8.539 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.074 -3.682 -8.839 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.849 -5.192 -8.651 1.00 0.00 H new ATOM 1672 N LYS B 49 2.487 -6.167 -10.488 1.00 0.00 N ATOM 1673 CA LYS B 49 3.690 -6.940 -10.674 1.00 0.00 C ATOM 1674 C LYS B 49 4.062 -6.882 -12.147 1.00 0.00 C ATOM 1675 O LYS B 49 5.229 -6.761 -12.499 1.00 0.00 O ATOM 1676 CB LYS B 49 3.445 -8.360 -10.168 1.00 0.00 C ATOM 1677 CG LYS B 49 3.448 -8.377 -8.635 1.00 0.00 C ATOM 1678 CD LYS B 49 3.368 -9.829 -8.138 1.00 0.00 C ATOM 1679 CE LYS B 49 1.983 -10.420 -8.445 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.449 -11.096 -7.230 1.00 0.00 N ATOM 0 H LYS B 49 1.686 -6.700 -10.149 1.00 0.00 H new ATOM 0 HA LYS B 49 4.530 -6.542 -10.105 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.490 -8.729 -10.542 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.217 -9.029 -10.549 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.353 -7.902 -8.257 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.603 -7.804 -8.253 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.142 -10.428 -8.618 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.557 -9.865 -7.065 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.302 -9.631 -8.764 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.054 -11.131 -9.268 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.415 -10.985 -7.197 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 1.688 -12.108 -7.262 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 1.871 -10.668 -6.381 1.00 0.00 H new ATOM 1694 N LYS B 50 3.028 -6.883 -12.990 1.00 0.00 N ATOM 1695 CA LYS B 50 3.198 -6.751 -14.432 1.00 0.00 C ATOM 1696 C LYS B 50 3.660 -5.347 -14.781 1.00 0.00 C ATOM 1697 O LYS B 50 4.465 -5.168 -15.685 1.00 0.00 O ATOM 1698 CB LYS B 50 1.891 -7.038 -15.159 1.00 0.00 C ATOM 1699 CG LYS B 50 1.635 -8.554 -15.205 1.00 0.00 C ATOM 1700 CD LYS B 50 0.497 -8.867 -16.189 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.832 -8.315 -15.661 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.956 -8.910 -16.436 1.00 0.00 N ATOM 0 H LYS B 50 2.057 -6.975 -12.692 1.00 0.00 H new ATOM 0 HA LYS B 50 3.950 -7.474 -14.748 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.066 -6.537 -14.652 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.933 -6.637 -16.172 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.543 -9.075 -15.509 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.377 -8.918 -14.210 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.719 -8.430 -17.163 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.419 -9.944 -16.334 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.941 -8.550 -14.602 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.849 -7.229 -15.750 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.854 -8.487 -16.126 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.817 -8.722 -17.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -1.984 -9.937 -16.275 1.00 0.00 H new ATOM 1716 N LEU B 51 3.143 -4.351 -14.060 1.00 0.00 N ATOM 1717 CA LEU B 51 3.534 -2.965 -14.311 1.00 0.00 C ATOM 1718 C LEU B 51 4.961 -2.776 -13.890 1.00 0.00 C ATOM 1719 O LEU B 51 5.757 -2.142 -14.581 1.00 0.00 O ATOM 1720 CB LEU B 51 2.633 -1.994 -13.541 1.00 0.00 C ATOM 1721 CG LEU B 51 1.752 -1.232 -14.522 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.622 -0.232 -15.296 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.071 -2.225 -15.487 1.00 0.00 C ATOM 0 H LEU B 51 2.463 -4.475 -13.310 1.00 0.00 H new ATOM 0 HA LEU B 51 3.427 -2.755 -15.375 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.014 -2.541 -12.830 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.241 -1.297 -12.964 1.00 0.00 H new ATOM 0 HG LEU B 51 0.974 -0.688 -13.986 1.00 0.00 H new ATOM 0 HD11 LEU B 51 2.001 0.320 -16.002 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.084 0.465 -14.597 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.399 -0.770 -15.839 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.441 -1.677 -16.188 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.832 -2.777 -16.038 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.458 -2.923 -14.917 1.00 0.00 H new ATOM 1735 N ASN B 52 5.279 -3.386 -12.769 1.00 0.00 N ATOM 1736 CA ASN B 52 6.631 -3.354 -12.261 1.00 0.00 C ATOM 1737 C ASN B 52 7.500 -4.022 -13.297 1.00 0.00 C ATOM 1738 O ASN B 52 8.592 -3.556 -13.615 1.00 0.00 O ATOM 1739 CB ASN B 52 6.706 -4.097 -10.931 1.00 0.00 C ATOM 1740 CG ASN B 52 8.156 -4.306 -10.515 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.685 -3.575 -9.683 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.829 -5.268 -11.063 1.00 0.00 N ATOM 0 H ASN B 52 4.620 -3.909 -12.193 1.00 0.00 H new ATOM 0 HA ASN B 52 6.964 -2.332 -12.082 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.179 -3.532 -10.162 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.204 -5.061 -11.018 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.804 -5.421 -10.804 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.384 -5.872 -11.754 1.00 0.00 H new ATOM 1749 N ASP B 53 6.955 -5.099 -13.849 1.00 0.00 N ATOM 1750 CA ASP B 53 7.637 -5.837 -14.904 1.00 0.00 C ATOM 1751 C ASP B 53 7.721 -4.970 -16.158 1.00 0.00 C ATOM 1752 O ASP B 53 8.705 -5.013 -16.900 1.00 0.00 O ATOM 1753 CB ASP B 53 6.888 -7.142 -15.223 1.00 0.00 C ATOM 1754 CG ASP B 53 6.964 -8.137 -14.055 1.00 0.00 C ATOM 1755 OD1 ASP B 53 7.832 -7.989 -13.204 1.00 0.00 O ATOM 1756 OD2 ASP B 53 6.143 -9.038 -14.028 1.00 0.00 O ATOM 0 H ASP B 53 6.046 -5.479 -13.585 1.00 0.00 H new ATOM 0 HA ASP B 53 8.641 -6.089 -14.564 1.00 0.00 H new ATOM 0 HB2 ASP B 53 5.844 -6.919 -15.444 1.00 0.00 H new ATOM 0 HB3 ASP B 53 7.313 -7.597 -16.118 1.00 0.00 H new ATOM 1761 N ALA B 54 6.666 -4.181 -16.374 1.00 0.00 N ATOM 1762 CA ALA B 54 6.580 -3.290 -17.522 1.00 0.00 C ATOM 1763 C ALA B 54 7.645 -2.204 -17.433 1.00 0.00 C ATOM 1764 O ALA B 54 8.250 -1.830 -18.440 1.00 0.00 O ATOM 1765 CB ALA B 54 5.188 -2.656 -17.559 1.00 0.00 C ATOM 0 H ALA B 54 5.853 -4.145 -15.758 1.00 0.00 H new ATOM 0 HA ALA B 54 6.748 -3.861 -18.435 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.116 -1.987 -18.416 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.434 -3.438 -17.645 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.021 -2.090 -16.642 1.00 0.00 H new ATOM 1771 N GLN B 55 7.871 -1.712 -16.215 1.00 0.00 N ATOM 1772 CA GLN B 55 8.866 -0.675 -15.976 1.00 0.00 C ATOM 1773 C GLN B 55 10.236 -1.285 -15.692 1.00 0.00 C ATOM 1774 O GLN B 55 11.244 -0.575 -15.659 1.00 0.00 O ATOM 1775 CB GLN B 55 8.420 0.164 -14.799 1.00 0.00 C ATOM 1776 CG GLN B 55 7.158 0.943 -15.170 1.00 0.00 C ATOM 1777 CD GLN B 55 6.361 1.237 -13.913 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.878 0.239 -13.229 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 6.182 2.394 -13.541 1.00 0.00 N flip ATOM 0 H GLN B 55 7.375 -2.018 -15.378 1.00 0.00 H new ATOM 0 HA GLN B 55 8.955 -0.054 -16.868 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.224 -0.475 -13.938 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.213 0.854 -14.510 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.425 1.874 -15.670 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.554 0.366 -15.871 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.564 3.169 -14.083 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.651 2.580 -12.690 1.00 0.00 H new ATOM 1788 N ALA B 56 10.263 -2.604 -15.487 1.00 0.00 N ATOM 1789 CA ALA B 56 11.515 -3.309 -15.206 1.00 0.00 C ATOM 1790 C ALA B 56 12.455 -3.235 -16.396 1.00 0.00 C ATOM 1791 O ALA B 56 12.044 -2.876 -17.504 1.00 0.00 O ATOM 1792 CB ALA B 56 11.246 -4.780 -14.882 1.00 0.00 C ATOM 0 H ALA B 56 9.437 -3.202 -15.510 1.00 0.00 H new ATOM 0 HA ALA B 56 11.978 -2.824 -14.347 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.189 -5.286 -14.676 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.600 -4.848 -14.007 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.757 -5.256 -15.732 1.00 0.00 H new