USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 454 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 GLN : amide:sc= 0.191 K(o=0.46,f=-1.8) USER MOD Set 1.2: A 43 ASN : amide:sc= 0.27 K(o=0.46,f=-1.8) USER MOD Set 2.1: A 23 ASN : amide:sc= -0.83 K(o=-21,f=-14) USER MOD Set 2.2: A 26 GLN : amide:sc= -13.3! C(o=-21!,f=-12!) USER MOD Set 2.3: A 55 GLN : amide:sc= -6.76! C(o=-21!,f=-14!) USER MOD Set 3.1: A 21 ASN : amide:sc= -6.97! K(o=-11!,f=-4.2) USER MOD Set 3.2: A 52 ASN : amide:sc= -4.41! C(o=-11!,f=-6.5!) USER MOD Single : A 1 VAL N :NH3+ 156:sc= -1.98 (180deg=-2.87!) USER MOD Single : A 3 ASN : amide:sc= -0.358 K(o=-0.36,f=-2.9!) USER MOD Single : A 4 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0648) USER MOD Single : A 6 ASN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -125:sc= -0.218 (180deg=-2.22!) USER MOD Single : A 13 THR OG1 : rot 94:sc= 0.963 USER MOD Single : A 18 ASN : amide:sc= -0.757 K(o=-0.76,f=-2.5) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 72:sc= 1.19 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -76:sc= 0.716 USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= -4.76! (180deg=-5.45!) USER MOD Single : A 50 LYS NZ :NH3+ 176:sc= -1.02 (180deg=-1.07) USER MOD Single : A 58 LYS NZ :NH3+ -147:sc= -1.87! (180deg=-2.64!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 8.560 -10.781 -2.309 1.00 0.00 N ATOM 2 CA VAL A 1 9.686 -10.382 -3.200 1.00 0.00 C ATOM 3 C VAL A 1 10.998 -10.851 -2.575 1.00 0.00 C ATOM 4 O VAL A 1 11.628 -11.789 -3.066 1.00 0.00 O ATOM 5 CB VAL A 1 9.690 -8.850 -3.378 1.00 0.00 C ATOM 6 CG1 VAL A 1 10.908 -8.417 -4.208 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.407 -8.406 -4.098 1.00 0.00 C ATOM 0 H1 VAL A 1 7.746 -10.155 -2.476 1.00 0.00 H new ATOM 0 H2 VAL A 1 8.288 -11.764 -2.512 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.859 -10.703 -1.316 1.00 0.00 H new ATOM 0 HA VAL A 1 9.569 -10.842 -4.181 1.00 0.00 H new ATOM 0 HB VAL A 1 9.739 -8.384 -2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 1 10.900 -7.334 -4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 1 11.822 -8.720 -3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 1 10.867 -8.890 -5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.415 -7.323 -4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.356 -8.882 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.539 -8.698 -3.507 1.00 0.00 H new ATOM 19 N ASP A 2 11.398 -10.188 -1.491 1.00 0.00 N ATOM 20 CA ASP A 2 12.635 -10.529 -0.792 1.00 0.00 C ATOM 21 C ASP A 2 12.460 -11.810 0.020 1.00 0.00 C ATOM 22 O ASP A 2 11.335 -12.275 0.226 1.00 0.00 O ATOM 23 CB ASP A 2 13.041 -9.384 0.137 1.00 0.00 C ATOM 24 CG ASP A 2 13.099 -8.069 -0.644 1.00 0.00 C ATOM 25 OD1 ASP A 2 14.044 -7.889 -1.394 1.00 0.00 O ATOM 26 OD2 ASP A 2 12.201 -7.261 -0.478 1.00 0.00 O ATOM 0 H ASP A 2 10.882 -9.411 -1.078 1.00 0.00 H new ATOM 0 HA ASP A 2 13.417 -10.690 -1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 2 12.326 -9.299 0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 2 14.013 -9.594 0.583 1.00 0.00 H new ATOM 31 N ASN A 3 13.584 -12.369 0.477 1.00 0.00 N ATOM 32 CA ASN A 3 13.569 -13.599 1.274 1.00 0.00 C ATOM 33 C ASN A 3 12.619 -13.469 2.463 1.00 0.00 C ATOM 34 O ASN A 3 12.004 -14.449 2.893 1.00 0.00 O ATOM 35 CB ASN A 3 14.987 -13.917 1.774 1.00 0.00 C ATOM 36 CG ASN A 3 15.453 -12.862 2.780 1.00 0.00 C ATOM 37 OD1 ASN A 3 15.402 -11.664 2.498 1.00 0.00 O ATOM 38 ND2 ASN A 3 15.898 -13.237 3.946 1.00 0.00 N ATOM 0 H ASN A 3 14.516 -11.989 0.309 1.00 0.00 H new ATOM 0 HA ASN A 3 13.217 -14.412 0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 3 15.002 -14.903 2.239 1.00 0.00 H new ATOM 0 HB3 ASN A 3 15.676 -13.952 0.930 1.00 0.00 H new ATOM 0 HD21 ASN A 3 16.204 -12.539 4.624 1.00 0.00 H new ATOM 0 HD22 ASN A 3 15.941 -14.229 4.181 1.00 0.00 H new ATOM 45 N LYS A 4 12.505 -12.248 2.969 1.00 0.00 N ATOM 46 CA LYS A 4 11.627 -11.960 4.099 1.00 0.00 C ATOM 47 C LYS A 4 10.312 -11.393 3.586 1.00 0.00 C ATOM 48 O LYS A 4 10.296 -10.472 2.773 1.00 0.00 O ATOM 49 CB LYS A 4 12.304 -10.961 5.054 1.00 0.00 C ATOM 50 CG LYS A 4 12.255 -11.489 6.495 1.00 0.00 C ATOM 51 CD LYS A 4 13.325 -12.575 6.687 1.00 0.00 C ATOM 52 CE LYS A 4 13.314 -13.071 8.137 1.00 0.00 C ATOM 53 NZ LYS A 4 12.107 -13.916 8.366 1.00 0.00 N ATOM 0 H LYS A 4 13.011 -11.437 2.614 1.00 0.00 H new ATOM 0 HA LYS A 4 11.429 -12.881 4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 4 13.339 -10.802 4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.803 -9.995 4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.422 -10.672 7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.267 -11.897 6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 4 13.137 -13.407 6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.308 -12.176 6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.217 -13.646 8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.313 -12.223 8.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.176 -14.375 9.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.255 -13.320 8.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.047 -14.643 7.625 1.00 0.00 H new ATOM 67 N PHE A 5 9.217 -11.978 4.056 1.00 0.00 N ATOM 68 CA PHE A 5 7.884 -11.568 3.634 1.00 0.00 C ATOM 69 C PHE A 5 7.527 -10.170 4.107 1.00 0.00 C ATOM 70 O PHE A 5 7.154 -9.313 3.309 1.00 0.00 O ATOM 71 CB PHE A 5 6.851 -12.566 4.170 1.00 0.00 C ATOM 72 CG PHE A 5 6.065 -13.125 3.015 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.643 -14.096 2.191 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.768 -12.668 2.767 1.00 0.00 C ATOM 75 CE1 PHE A 5 5.919 -14.615 1.113 1.00 0.00 C ATOM 76 CE2 PHE A 5 4.041 -13.186 1.688 1.00 0.00 C ATOM 77 CZ PHE A 5 4.616 -14.161 0.861 1.00 0.00 C ATOM 0 H PHE A 5 9.227 -12.741 4.733 1.00 0.00 H new ATOM 0 HA PHE A 5 7.877 -11.555 2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.350 -13.370 4.710 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.183 -12.074 4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.646 -14.444 2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.327 -11.917 3.406 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.363 -15.365 0.475 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.038 -12.835 1.493 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.056 -14.563 0.030 1.00 0.00 H new ATOM 87 N ASN A 6 7.623 -9.971 5.410 1.00 0.00 N ATOM 88 CA ASN A 6 7.281 -8.691 6.029 1.00 0.00 C ATOM 89 C ASN A 6 8.015 -7.523 5.371 1.00 0.00 C ATOM 90 O ASN A 6 7.510 -6.400 5.360 1.00 0.00 O ATOM 91 CB ASN A 6 7.607 -8.721 7.517 1.00 0.00 C ATOM 92 CG ASN A 6 6.982 -7.515 8.217 1.00 0.00 C ATOM 93 OD1 ASN A 6 7.684 -6.567 8.569 1.00 0.00 O ATOM 94 ND2 ASN A 6 5.696 -7.492 8.435 1.00 0.00 N ATOM 0 H ASN A 6 7.937 -10.683 6.069 1.00 0.00 H new ATOM 0 HA ASN A 6 6.211 -8.540 5.887 1.00 0.00 H new ATOM 0 HB2 ASN A 6 7.232 -9.643 7.961 1.00 0.00 H new ATOM 0 HB3 ASN A 6 8.687 -8.715 7.661 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.271 -6.688 8.897 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.115 -8.278 8.143 1.00 0.00 H new ATOM 101 N LYS A 7 9.205 -7.786 4.829 1.00 0.00 N ATOM 102 CA LYS A 7 9.976 -6.733 4.175 1.00 0.00 C ATOM 103 C LYS A 7 9.138 -6.083 3.079 1.00 0.00 C ATOM 104 O LYS A 7 9.170 -4.867 2.898 1.00 0.00 O ATOM 105 CB LYS A 7 11.281 -7.306 3.605 1.00 0.00 C ATOM 106 CG LYS A 7 12.121 -6.185 2.977 1.00 0.00 C ATOM 107 CD LYS A 7 13.473 -6.750 2.525 1.00 0.00 C ATOM 108 CE LYS A 7 14.223 -5.706 1.690 1.00 0.00 C ATOM 109 NZ LYS A 7 15.234 -6.392 0.834 1.00 0.00 N ATOM 0 H LYS A 7 9.649 -8.704 4.830 1.00 0.00 H new ATOM 0 HA LYS A 7 10.236 -5.970 4.908 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.848 -7.796 4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.057 -8.066 2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.593 -5.753 2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.273 -5.382 3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.069 -7.029 3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.320 -7.656 1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.522 -5.149 1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.713 -4.984 2.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.173 -5.980 1.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.253 -7.406 1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.982 -6.269 -0.167 1.00 0.00 H new ATOM 123 N GLU A 8 8.360 -6.911 2.390 1.00 0.00 N ATOM 124 CA GLU A 8 7.466 -6.437 1.333 1.00 0.00 C ATOM 125 C GLU A 8 6.342 -5.595 1.918 1.00 0.00 C ATOM 126 O GLU A 8 5.849 -4.663 1.280 1.00 0.00 O ATOM 127 CB GLU A 8 6.863 -7.614 0.556 1.00 0.00 C ATOM 128 CG GLU A 8 7.904 -8.193 -0.404 1.00 0.00 C ATOM 129 CD GLU A 8 8.874 -9.110 0.339 1.00 0.00 C ATOM 130 OE1 GLU A 8 8.533 -10.262 0.545 1.00 0.00 O ATOM 131 OE2 GLU A 8 9.944 -8.647 0.684 1.00 0.00 O ATOM 0 H GLU A 8 8.329 -7.919 2.544 1.00 0.00 H new ATOM 0 HA GLU A 8 8.058 -5.826 0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.527 -8.385 1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.987 -7.282 -0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.405 -8.750 -1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.455 -7.383 -0.882 1.00 0.00 H new ATOM 138 N LEU A 9 5.939 -5.941 3.131 1.00 0.00 N ATOM 139 CA LEU A 9 4.863 -5.215 3.802 1.00 0.00 C ATOM 140 C LEU A 9 5.316 -3.809 4.154 1.00 0.00 C ATOM 141 O LEU A 9 4.544 -2.861 4.025 1.00 0.00 O ATOM 142 CB LEU A 9 4.401 -5.943 5.078 1.00 0.00 C ATOM 143 CG LEU A 9 3.549 -7.172 4.719 1.00 0.00 C ATOM 144 CD1 LEU A 9 4.412 -8.225 4.011 1.00 0.00 C ATOM 145 CD2 LEU A 9 2.955 -7.769 6.003 1.00 0.00 C ATOM 0 H LEU A 9 6.334 -6.712 3.670 1.00 0.00 H new ATOM 0 HA LEU A 9 4.020 -5.165 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.268 -6.252 5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.823 -5.262 5.703 1.00 0.00 H new ATOM 0 HG LEU A 9 2.745 -6.868 4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.798 -9.091 3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.828 -7.800 3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.223 -8.533 4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.350 -8.641 5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.762 -8.067 6.673 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.331 -7.024 6.496 1.00 0.00 H new ATOM 157 N GLY A 10 6.582 -3.674 4.555 1.00 0.00 N ATOM 158 CA GLY A 10 7.128 -2.368 4.875 1.00 0.00 C ATOM 159 C GLY A 10 7.388 -1.642 3.580 1.00 0.00 C ATOM 160 O GLY A 10 7.299 -0.416 3.498 1.00 0.00 O ATOM 0 H GLY A 10 7.237 -4.449 4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.430 -1.805 5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.051 -2.470 5.446 1.00 0.00 H new ATOM 164 N TRP A 11 7.706 -2.444 2.566 1.00 0.00 N ATOM 165 CA TRP A 11 7.991 -1.943 1.248 1.00 0.00 C ATOM 166 C TRP A 11 6.775 -1.251 0.652 1.00 0.00 C ATOM 167 O TRP A 11 6.853 -0.111 0.204 1.00 0.00 O ATOM 168 CB TRP A 11 8.389 -3.114 0.350 1.00 0.00 C ATOM 169 CG TRP A 11 9.070 -2.584 -0.846 1.00 0.00 C ATOM 170 CD1 TRP A 11 10.285 -2.030 -0.827 1.00 0.00 C ATOM 171 CD2 TRP A 11 8.604 -2.545 -2.217 1.00 0.00 C ATOM 172 NE1 TRP A 11 10.606 -1.625 -2.111 1.00 0.00 N ATOM 173 CE2 TRP A 11 9.599 -1.934 -3.008 1.00 0.00 C ATOM 174 CE3 TRP A 11 7.424 -2.977 -2.842 1.00 0.00 C ATOM 175 CZ2 TRP A 11 9.433 -1.755 -4.380 1.00 0.00 C ATOM 176 CZ3 TRP A 11 7.250 -2.803 -4.223 1.00 0.00 C ATOM 177 CH2 TRP A 11 8.254 -2.193 -4.992 1.00 0.00 C ATOM 0 H TRP A 11 7.770 -3.459 2.648 1.00 0.00 H new ATOM 0 HA TRP A 11 8.802 -1.218 1.318 1.00 0.00 H new ATOM 0 HB2 TRP A 11 9.047 -3.796 0.888 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.507 -3.685 0.060 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.912 -1.917 0.045 1.00 0.00 H new ATOM 0 HE1 TRP A 11 11.476 -1.157 -2.364 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.646 -3.446 -2.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.208 -1.282 -4.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 6.340 -3.140 -4.697 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.116 -2.062 -6.055 1.00 0.00 H new ATOM 188 N ALA A 12 5.652 -1.956 0.661 1.00 0.00 N ATOM 189 CA ALA A 12 4.421 -1.414 0.117 1.00 0.00 C ATOM 190 C ALA A 12 3.890 -0.267 0.960 1.00 0.00 C ATOM 191 O ALA A 12 3.245 0.635 0.443 1.00 0.00 O ATOM 192 CB ALA A 12 3.366 -2.501 0.003 1.00 0.00 C ATOM 0 H ALA A 12 5.571 -2.900 1.038 1.00 0.00 H new ATOM 0 HA ALA A 12 4.648 -1.026 -0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.449 -2.077 -0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.727 -3.291 -0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.164 -2.917 0.990 1.00 0.00 H new ATOM 198 N THR A 13 4.145 -0.307 2.264 1.00 0.00 N ATOM 199 CA THR A 13 3.645 0.740 3.140 1.00 0.00 C ATOM 200 C THR A 13 4.195 2.070 2.700 1.00 0.00 C ATOM 201 O THR A 13 3.443 3.027 2.541 1.00 0.00 O ATOM 202 CB THR A 13 4.030 0.472 4.605 1.00 0.00 C ATOM 203 OG1 THR A 13 3.452 -0.754 5.024 1.00 0.00 O ATOM 204 CG2 THR A 13 3.522 1.611 5.506 1.00 0.00 C ATOM 0 H THR A 13 4.684 -1.038 2.728 1.00 0.00 H new ATOM 0 HA THR A 13 2.557 0.752 3.075 1.00 0.00 H new ATOM 0 HB THR A 13 5.116 0.417 4.683 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.100 -1.479 4.903 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.801 1.409 6.540 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.968 2.553 5.187 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.437 1.679 5.430 1.00 0.00 H new ATOM 212 N TRP A 14 5.502 2.109 2.478 1.00 0.00 N ATOM 213 CA TRP A 14 6.149 3.322 2.032 1.00 0.00 C ATOM 214 C TRP A 14 5.759 3.639 0.575 1.00 0.00 C ATOM 215 O TRP A 14 5.567 4.805 0.236 1.00 0.00 O ATOM 216 CB TRP A 14 7.668 3.219 2.284 1.00 0.00 C ATOM 217 CG TRP A 14 8.365 2.417 1.239 1.00 0.00 C ATOM 218 CD1 TRP A 14 8.968 1.232 1.460 1.00 0.00 C ATOM 219 CD2 TRP A 14 8.567 2.722 -0.164 1.00 0.00 C ATOM 220 NE1 TRP A 14 9.484 0.767 0.270 1.00 0.00 N ATOM 221 CE2 TRP A 14 9.259 1.648 -0.758 1.00 0.00 C ATOM 222 CE3 TRP A 14 8.201 3.805 -0.975 1.00 0.00 C ATOM 223 CZ2 TRP A 14 9.569 1.647 -2.105 1.00 0.00 C ATOM 224 CZ3 TRP A 14 8.511 3.807 -2.331 1.00 0.00 C ATOM 225 CH2 TRP A 14 9.189 2.728 -2.892 1.00 0.00 C ATOM 0 H TRP A 14 6.128 1.313 2.601 1.00 0.00 H new ATOM 0 HA TRP A 14 5.802 4.178 2.611 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.097 4.221 2.315 1.00 0.00 H new ATOM 0 HB3 TRP A 14 7.842 2.767 3.261 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.036 0.729 2.414 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.973 -0.122 0.166 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.675 4.644 -0.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 10.101 0.815 -2.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.226 4.646 -2.949 1.00 0.00 H new ATOM 0 HH2 TRP A 14 9.421 2.731 -3.947 1.00 0.00 H new ATOM 236 N GLU A 15 5.610 2.600 -0.280 1.00 0.00 N ATOM 237 CA GLU A 15 5.221 2.804 -1.683 1.00 0.00 C ATOM 238 C GLU A 15 3.888 3.532 -1.772 1.00 0.00 C ATOM 239 O GLU A 15 3.734 4.512 -2.504 1.00 0.00 O ATOM 240 CB GLU A 15 4.998 1.439 -2.336 1.00 0.00 C ATOM 241 CG GLU A 15 6.295 0.657 -2.506 1.00 0.00 C ATOM 242 CD GLU A 15 6.566 0.395 -3.990 1.00 0.00 C ATOM 243 OE1 GLU A 15 5.727 -0.224 -4.627 1.00 0.00 O ATOM 244 OE2 GLU A 15 7.606 0.811 -4.468 1.00 0.00 O ATOM 0 H GLU A 15 5.753 1.624 -0.020 1.00 0.00 H new ATOM 0 HA GLU A 15 6.008 3.379 -2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.304 0.858 -1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.530 1.578 -3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.124 1.215 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.231 -0.289 -1.968 1.00 0.00 H new ATOM 251 N ILE A 16 2.947 3.028 -1.005 1.00 0.00 N ATOM 252 CA ILE A 16 1.603 3.571 -0.933 1.00 0.00 C ATOM 253 C ILE A 16 1.658 4.941 -0.289 1.00 0.00 C ATOM 254 O ILE A 16 1.090 5.905 -0.790 1.00 0.00 O ATOM 255 CB ILE A 16 0.784 2.553 -0.133 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.810 1.257 -0.955 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.670 3.013 0.113 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.118 0.138 -0.198 1.00 0.00 C ATOM 0 H ILE A 16 3.093 2.217 -0.404 1.00 0.00 H new ATOM 0 HA ILE A 16 1.138 3.717 -1.908 1.00 0.00 H new ATOM 0 HB ILE A 16 1.215 2.423 0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.316 1.416 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.841 0.976 -1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.201 2.251 0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.666 3.949 0.672 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.171 3.164 -0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.144 -0.775 -0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.630 -0.032 0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.918 0.416 -0.005 1.00 0.00 H new ATOM 270 N PHE A 17 2.395 5.017 0.797 1.00 0.00 N ATOM 271 CA PHE A 17 2.581 6.279 1.509 1.00 0.00 C ATOM 272 C PHE A 17 3.266 7.332 0.635 1.00 0.00 C ATOM 273 O PHE A 17 3.187 8.527 0.928 1.00 0.00 O ATOM 274 CB PHE A 17 3.443 6.049 2.748 1.00 0.00 C ATOM 275 CG PHE A 17 2.609 6.011 4.011 1.00 0.00 C ATOM 276 CD1 PHE A 17 1.544 6.911 4.206 1.00 0.00 C ATOM 277 CD2 PHE A 17 2.910 5.065 4.997 1.00 0.00 C ATOM 278 CE1 PHE A 17 0.794 6.853 5.386 1.00 0.00 C ATOM 279 CE2 PHE A 17 2.163 5.013 6.174 1.00 0.00 C ATOM 280 CZ PHE A 17 1.104 5.906 6.372 1.00 0.00 C ATOM 0 H PHE A 17 2.880 4.222 1.214 1.00 0.00 H new ATOM 0 HA PHE A 17 1.592 6.644 1.785 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.988 5.111 2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.186 6.842 2.827 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.307 7.643 3.448 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.724 4.372 4.846 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.026 7.540 5.537 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.402 4.283 6.933 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.526 5.866 7.283 1.00 0.00 H new ATOM 290 N ASN A 18 3.944 6.888 -0.424 1.00 0.00 N ATOM 291 CA ASN A 18 4.649 7.807 -1.315 1.00 0.00 C ATOM 292 C ASN A 18 3.769 8.170 -2.500 1.00 0.00 C ATOM 293 O ASN A 18 4.241 8.269 -3.637 1.00 0.00 O ATOM 294 CB ASN A 18 5.970 7.175 -1.791 1.00 0.00 C ATOM 295 CG ASN A 18 7.007 7.179 -0.664 1.00 0.00 C ATOM 296 OD1 ASN A 18 6.671 7.393 0.503 1.00 0.00 O ATOM 297 ND2 ASN A 18 8.260 6.960 -0.950 1.00 0.00 N ATOM 0 H ASN A 18 4.019 5.904 -0.684 1.00 0.00 H new ATOM 0 HA ASN A 18 4.881 8.721 -0.768 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.791 6.153 -2.124 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.355 7.727 -2.649 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.961 6.966 -0.209 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.539 6.783 -1.915 1.00 0.00 H new ATOM 304 N LEU A 19 2.483 8.382 -2.221 1.00 0.00 N ATOM 305 CA LEU A 19 1.545 8.748 -3.258 1.00 0.00 C ATOM 306 C LEU A 19 1.240 10.230 -3.176 1.00 0.00 C ATOM 307 O LEU A 19 1.195 10.803 -2.085 1.00 0.00 O ATOM 308 CB LEU A 19 0.261 7.929 -3.137 1.00 0.00 C ATOM 309 CG LEU A 19 0.459 6.527 -3.744 1.00 0.00 C ATOM 310 CD1 LEU A 19 -0.889 5.855 -3.970 1.00 0.00 C ATOM 311 CD2 LEU A 19 1.175 6.616 -5.083 1.00 0.00 C ATOM 0 H LEU A 19 2.078 8.305 -1.288 1.00 0.00 H new ATOM 0 HA LEU A 19 1.993 8.533 -4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.025 7.841 -2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.554 8.442 -3.648 1.00 0.00 H new ATOM 0 HG LEU A 19 1.058 5.945 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.735 4.865 -4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.412 5.760 -3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.486 6.458 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.304 5.615 -5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.583 7.217 -5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.151 7.080 -4.943 1.00 0.00 H new ATOM 323 N PRO A 20 1.079 10.869 -4.308 1.00 0.00 N ATOM 324 CA PRO A 20 0.837 12.324 -4.354 1.00 0.00 C ATOM 325 C PRO A 20 -0.495 12.804 -3.764 1.00 0.00 C ATOM 326 O PRO A 20 -0.642 14.013 -3.568 1.00 0.00 O ATOM 327 CB PRO A 20 0.917 12.706 -5.841 1.00 0.00 C ATOM 328 CG PRO A 20 1.196 11.458 -6.614 1.00 0.00 C ATOM 329 CD PRO A 20 1.116 10.273 -5.654 1.00 0.00 C ATOM 0 HA PRO A 20 1.582 12.809 -3.724 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.018 13.160 -6.171 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.704 13.442 -6.005 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.474 11.342 -7.422 1.00 0.00 H new ATOM 0 HG3 PRO A 20 2.183 11.509 -7.074 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.226 9.672 -5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.976 9.614 -5.769 1.00 0.00 H new ATOM 337 N ASN A 21 -1.486 11.919 -3.516 1.00 0.00 N ATOM 338 CA ASN A 21 -2.764 12.429 -3.003 1.00 0.00 C ATOM 339 C ASN A 21 -3.396 11.559 -1.916 1.00 0.00 C ATOM 340 O ASN A 21 -4.554 11.778 -1.573 1.00 0.00 O ATOM 341 CB ASN A 21 -3.742 12.584 -4.171 1.00 0.00 C ATOM 342 CG ASN A 21 -3.108 13.410 -5.288 1.00 0.00 C ATOM 343 OD1 ASN A 21 -3.024 14.632 -5.187 1.00 0.00 O ATOM 344 ND2 ASN A 21 -2.653 12.810 -6.350 1.00 0.00 N ATOM 0 H ASN A 21 -1.430 10.910 -3.654 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.550 13.388 -2.531 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.024 11.602 -4.551 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.656 13.067 -3.827 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.226 13.354 -7.100 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.723 11.796 -6.432 1.00 0.00 H new ATOM 351 N LEU A 22 -2.663 10.594 -1.359 1.00 0.00 N ATOM 352 CA LEU A 22 -3.230 9.750 -0.316 1.00 0.00 C ATOM 353 C LEU A 22 -3.391 10.476 1.006 1.00 0.00 C ATOM 354 O LEU A 22 -2.702 11.455 1.298 1.00 0.00 O ATOM 355 CB LEU A 22 -2.331 8.556 -0.038 1.00 0.00 C ATOM 356 CG LEU A 22 -2.443 7.485 -1.122 1.00 0.00 C ATOM 357 CD1 LEU A 22 -1.675 6.239 -0.664 1.00 0.00 C ATOM 358 CD2 LEU A 22 -3.905 7.106 -1.338 1.00 0.00 C ATOM 0 H LEU A 22 -1.697 10.383 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.206 9.446 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.296 8.891 0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.593 8.123 0.927 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.030 7.872 -2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.747 5.466 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.628 6.495 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.104 5.869 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.972 6.342 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.321 6.718 -0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.467 7.987 -1.647 1.00 0.00 H new ATOM 370 N ASN A 23 -4.271 9.906 1.818 1.00 0.00 N ATOM 371 CA ASN A 23 -4.525 10.381 3.162 1.00 0.00 C ATOM 372 C ASN A 23 -4.078 9.287 4.115 1.00 0.00 C ATOM 373 O ASN A 23 -4.124 8.105 3.759 1.00 0.00 O ATOM 374 CB ASN A 23 -6.019 10.641 3.382 1.00 0.00 C ATOM 375 CG ASN A 23 -6.544 11.717 2.439 1.00 0.00 C ATOM 376 OD1 ASN A 23 -5.777 12.386 1.746 1.00 0.00 O ATOM 377 ND2 ASN A 23 -7.827 11.925 2.384 1.00 0.00 N ATOM 0 H ASN A 23 -4.831 9.095 1.556 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.988 11.315 3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.577 9.717 3.228 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.188 10.947 4.415 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.201 12.644 1.765 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.459 11.369 2.960 1.00 0.00 H new ATOM 384 N GLY A 24 -3.667 9.664 5.319 1.00 0.00 N ATOM 385 CA GLY A 24 -3.242 8.681 6.308 1.00 0.00 C ATOM 386 C GLY A 24 -4.312 7.601 6.463 1.00 0.00 C ATOM 387 O GLY A 24 -4.011 6.473 6.832 1.00 0.00 O ATOM 0 H GLY A 24 -3.619 10.633 5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.299 8.229 6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.065 9.170 7.266 1.00 0.00 H new ATOM 391 N VAL A 25 -5.562 7.961 6.154 1.00 0.00 N ATOM 392 CA VAL A 25 -6.674 7.023 6.244 1.00 0.00 C ATOM 393 C VAL A 25 -6.601 5.988 5.120 1.00 0.00 C ATOM 394 O VAL A 25 -6.733 4.787 5.365 1.00 0.00 O ATOM 395 CB VAL A 25 -8.001 7.790 6.157 1.00 0.00 C ATOM 396 CG1 VAL A 25 -9.174 6.804 6.242 1.00 0.00 C ATOM 397 CG2 VAL A 25 -8.087 8.790 7.317 1.00 0.00 C ATOM 0 H VAL A 25 -5.824 8.895 5.840 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.614 6.501 7.199 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.049 8.325 5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.115 7.351 6.180 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.113 6.094 5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.129 6.266 7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.028 9.336 7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.038 8.253 8.264 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.256 9.492 7.254 1.00 0.00 H new ATOM 407 N GLN A 26 -6.405 6.469 3.888 1.00 0.00 N ATOM 408 CA GLN A 26 -6.334 5.597 2.724 1.00 0.00 C ATOM 409 C GLN A 26 -5.082 4.751 2.738 1.00 0.00 C ATOM 410 O GLN A 26 -5.141 3.552 2.469 1.00 0.00 O ATOM 411 CB GLN A 26 -6.377 6.453 1.464 1.00 0.00 C ATOM 412 CG GLN A 26 -7.715 7.193 1.428 1.00 0.00 C ATOM 413 CD GLN A 26 -7.884 7.970 0.125 1.00 0.00 C ATOM 414 OE1 GLN A 26 -8.886 8.661 -0.056 1.00 0.00 O ATOM 415 NE2 GLN A 26 -6.973 7.897 -0.802 1.00 0.00 N ATOM 0 H GLN A 26 -6.293 7.461 3.677 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.185 4.917 2.745 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.550 7.164 1.460 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.265 5.829 0.578 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.531 6.479 1.536 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.777 7.878 2.273 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.141 7.325 -0.656 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.091 8.412 -1.675 1.00 0.00 H new ATOM 424 N VAL A 27 -3.951 5.370 3.061 1.00 0.00 N ATOM 425 CA VAL A 27 -2.701 4.634 3.099 1.00 0.00 C ATOM 426 C VAL A 27 -2.806 3.506 4.106 1.00 0.00 C ATOM 427 O VAL A 27 -2.564 2.358 3.773 1.00 0.00 O ATOM 428 CB VAL A 27 -1.552 5.560 3.496 1.00 0.00 C ATOM 429 CG1 VAL A 27 -0.249 4.753 3.479 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.464 6.725 2.504 1.00 0.00 C ATOM 0 H VAL A 27 -3.877 6.360 3.295 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.504 4.227 2.107 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.721 5.965 4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.583 5.399 3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.323 3.928 4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.079 4.358 2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.644 7.384 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.286 6.336 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.400 7.284 2.515 1.00 0.00 H new ATOM 440 N LYS A 28 -3.229 3.856 5.317 1.00 0.00 N ATOM 441 CA LYS A 28 -3.419 2.888 6.396 1.00 0.00 C ATOM 442 C LYS A 28 -4.346 1.789 5.936 1.00 0.00 C ATOM 443 O LYS A 28 -4.176 0.638 6.312 1.00 0.00 O ATOM 444 CB LYS A 28 -3.980 3.567 7.650 1.00 0.00 C ATOM 445 CG LYS A 28 -2.857 4.344 8.351 1.00 0.00 C ATOM 446 CD LYS A 28 -3.411 5.045 9.598 1.00 0.00 C ATOM 447 CE LYS A 28 -2.316 5.909 10.240 1.00 0.00 C ATOM 448 NZ LYS A 28 -2.042 5.422 11.623 1.00 0.00 N ATOM 0 H LYS A 28 -3.450 4.817 5.579 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.450 2.458 6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.792 4.243 7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.398 2.821 8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.052 3.664 8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.430 5.079 7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.265 5.666 9.328 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.769 4.305 10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.406 5.865 9.641 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.630 6.952 10.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.300 6.008 12.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.910 5.486 12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.724 4.432 11.586 1.00 0.00 H new ATOM 462 N ALA A 29 -5.311 2.150 5.097 1.00 0.00 N ATOM 463 CA ALA A 29 -6.237 1.178 4.556 1.00 0.00 C ATOM 464 C ALA A 29 -5.461 0.177 3.714 1.00 0.00 C ATOM 465 O ALA A 29 -5.680 -1.030 3.808 1.00 0.00 O ATOM 466 CB ALA A 29 -7.277 1.880 3.690 1.00 0.00 C ATOM 0 H ALA A 29 -5.467 3.107 4.781 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.746 0.662 5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.971 1.143 3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.826 2.602 4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.779 2.397 2.870 1.00 0.00 H new ATOM 472 N PHE A 30 -4.530 0.694 2.905 1.00 0.00 N ATOM 473 CA PHE A 30 -3.708 -0.137 2.079 1.00 0.00 C ATOM 474 C PHE A 30 -2.683 -0.842 2.947 1.00 0.00 C ATOM 475 O PHE A 30 -2.396 -2.021 2.745 1.00 0.00 O ATOM 476 CB PHE A 30 -3.074 0.709 0.986 1.00 0.00 C ATOM 477 CG PHE A 30 -4.183 1.352 0.181 1.00 0.00 C ATOM 478 CD1 PHE A 30 -5.200 0.552 -0.364 1.00 0.00 C ATOM 479 CD2 PHE A 30 -4.222 2.741 0.002 1.00 0.00 C ATOM 480 CE1 PHE A 30 -6.238 1.139 -1.076 1.00 0.00 C ATOM 481 CE2 PHE A 30 -5.264 3.320 -0.709 1.00 0.00 C ATOM 482 CZ PHE A 30 -6.273 2.518 -1.247 1.00 0.00 C ATOM 0 H PHE A 30 -4.341 1.693 2.819 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.302 -0.907 1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.429 1.472 1.422 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.447 0.091 0.343 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.175 -0.519 -0.230 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.441 3.361 0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.019 0.523 -1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.295 4.391 -0.846 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.084 2.971 -1.798 1.00 0.00 H new ATOM 492 N ILE A 31 -2.179 -0.123 3.962 1.00 0.00 N ATOM 493 CA ILE A 31 -1.237 -0.713 4.897 1.00 0.00 C ATOM 494 C ILE A 31 -1.971 -1.843 5.628 1.00 0.00 C ATOM 495 O ILE A 31 -1.384 -2.874 5.957 1.00 0.00 O ATOM 496 CB ILE A 31 -0.701 0.305 5.944 1.00 0.00 C ATOM 497 CG1 ILE A 31 -0.220 1.651 5.323 1.00 0.00 C ATOM 498 CG2 ILE A 31 0.485 -0.326 6.680 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.319 1.488 3.906 1.00 0.00 C ATOM 0 H ILE A 31 -2.410 0.853 4.146 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.372 -1.070 4.338 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.533 0.533 6.610 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.050 2.358 5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.557 2.081 5.955 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.871 0.377 7.418 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.159 -1.236 7.183 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.270 -0.568 5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.639 2.458 3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.168 0.804 3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.464 1.086 3.263 1.00 0.00 H new ATOM 511 N ASP A 32 -3.279 -1.632 5.861 1.00 0.00 N ATOM 512 CA ASP A 32 -4.113 -2.630 6.527 1.00 0.00 C ATOM 513 C ASP A 32 -4.311 -3.829 5.607 1.00 0.00 C ATOM 514 O ASP A 32 -4.279 -4.980 6.048 1.00 0.00 O ATOM 515 CB ASP A 32 -5.473 -2.024 6.901 1.00 0.00 C ATOM 516 CG ASP A 32 -6.293 -3.034 7.704 1.00 0.00 C ATOM 517 OD1 ASP A 32 -6.092 -3.111 8.904 1.00 0.00 O ATOM 518 OD2 ASP A 32 -7.105 -3.720 7.105 1.00 0.00 O ATOM 0 H ASP A 32 -3.773 -0.780 5.596 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.615 -2.956 7.440 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.327 -1.115 7.485 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.014 -1.739 5.999 1.00 0.00 H new ATOM 523 N SER A 33 -4.500 -3.536 4.319 1.00 0.00 N ATOM 524 CA SER A 33 -4.687 -4.576 3.314 1.00 0.00 C ATOM 525 C SER A 33 -3.445 -5.458 3.245 1.00 0.00 C ATOM 526 O SER A 33 -3.537 -6.656 2.981 1.00 0.00 O ATOM 527 CB SER A 33 -4.963 -3.949 1.948 1.00 0.00 C ATOM 528 OG SER A 33 -6.053 -3.043 2.053 1.00 0.00 O ATOM 0 H SER A 33 -4.527 -2.585 3.950 1.00 0.00 H new ATOM 0 HA SER A 33 -5.544 -5.189 3.595 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.076 -3.427 1.590 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.192 -4.726 1.219 1.00 0.00 H new ATOM 0 HG SER A 33 -5.768 -2.243 2.542 1.00 0.00 H new ATOM 534 N LEU A 34 -2.282 -4.847 3.498 1.00 0.00 N ATOM 535 CA LEU A 34 -1.016 -5.579 3.483 1.00 0.00 C ATOM 536 C LEU A 34 -1.081 -6.722 4.493 1.00 0.00 C ATOM 537 O LEU A 34 -0.695 -7.853 4.205 1.00 0.00 O ATOM 538 CB LEU A 34 0.147 -4.637 3.893 1.00 0.00 C ATOM 539 CG LEU A 34 1.149 -4.406 2.754 1.00 0.00 C ATOM 540 CD1 LEU A 34 1.445 -5.716 2.013 1.00 0.00 C ATOM 541 CD2 LEU A 34 0.562 -3.353 1.811 1.00 0.00 C ATOM 0 H LEU A 34 -2.194 -3.854 3.714 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.845 -5.964 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.262 -3.678 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.669 -5.062 4.750 1.00 0.00 H new ATOM 0 HG LEU A 34 2.098 -4.050 3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.158 -5.527 1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.867 -6.441 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.521 -6.113 1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.257 -3.171 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.386 -3.712 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.396 -2.426 2.359 1.00 0.00 H new ATOM 553 N ARG A 35 -1.582 -6.395 5.679 1.00 0.00 N ATOM 554 CA ARG A 35 -1.723 -7.372 6.760 1.00 0.00 C ATOM 555 C ARG A 35 -2.760 -8.420 6.384 1.00 0.00 C ATOM 556 O ARG A 35 -2.606 -9.607 6.676 1.00 0.00 O ATOM 557 CB ARG A 35 -2.156 -6.670 8.058 1.00 0.00 C ATOM 558 CG ARG A 35 -1.273 -5.438 8.338 1.00 0.00 C ATOM 559 CD ARG A 35 0.213 -5.784 8.168 1.00 0.00 C ATOM 560 NE ARG A 35 0.536 -7.011 8.893 1.00 0.00 N ATOM 561 CZ ARG A 35 1.590 -7.082 9.699 1.00 0.00 C ATOM 562 NH1 ARG A 35 1.535 -6.558 10.890 1.00 0.00 N ATOM 563 NH2 ARG A 35 2.677 -7.678 9.299 1.00 0.00 N ATOM 0 H ARG A 35 -1.900 -5.456 5.920 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.759 -7.856 6.917 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.199 -6.364 7.980 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.089 -7.367 8.893 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.543 -4.629 7.659 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.454 -5.078 9.351 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.446 -5.907 7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.829 -4.963 8.537 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.060 -7.830 8.778 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.683 -6.093 11.204 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.344 -6.612 11.509 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.719 -8.090 8.367 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.486 -7.732 9.918 1.00 0.00 H new ATOM 577 N ASP A 36 -3.815 -7.949 5.730 1.00 0.00 N ATOM 578 CA ASP A 36 -4.912 -8.805 5.288 1.00 0.00 C ATOM 579 C ASP A 36 -4.417 -9.795 4.241 1.00 0.00 C ATOM 580 O ASP A 36 -4.884 -10.933 4.165 1.00 0.00 O ATOM 581 CB ASP A 36 -6.029 -7.934 4.694 1.00 0.00 C ATOM 582 CG ASP A 36 -6.581 -6.938 5.727 1.00 0.00 C ATOM 583 OD1 ASP A 36 -6.390 -7.149 6.917 1.00 0.00 O ATOM 584 OD2 ASP A 36 -7.188 -5.968 5.306 1.00 0.00 O ATOM 0 H ASP A 36 -3.935 -6.965 5.491 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.298 -9.362 6.141 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.646 -7.389 3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.837 -8.572 4.335 1.00 0.00 H new ATOM 589 N ASP A 37 -3.455 -9.334 3.457 1.00 0.00 N ATOM 590 CA ASP A 37 -2.844 -10.134 2.410 1.00 0.00 C ATOM 591 C ASP A 37 -1.523 -9.491 2.008 1.00 0.00 C ATOM 592 O ASP A 37 -1.500 -8.477 1.305 1.00 0.00 O ATOM 593 CB ASP A 37 -3.769 -10.265 1.192 1.00 0.00 C ATOM 594 CG ASP A 37 -3.369 -11.481 0.346 1.00 0.00 C ATOM 595 OD1 ASP A 37 -2.177 -11.709 0.174 1.00 0.00 O ATOM 596 OD2 ASP A 37 -4.261 -12.165 -0.127 1.00 0.00 O ATOM 0 H ASP A 37 -3.075 -8.390 3.530 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.667 -11.140 2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.803 -10.367 1.522 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.715 -9.360 0.587 1.00 0.00 H new ATOM 601 N PRO A 38 -0.432 -10.045 2.468 1.00 0.00 N ATOM 602 CA PRO A 38 0.922 -9.508 2.185 1.00 0.00 C ATOM 603 C PRO A 38 1.372 -9.718 0.741 1.00 0.00 C ATOM 604 O PRO A 38 2.248 -9.004 0.254 1.00 0.00 O ATOM 605 CB PRO A 38 1.831 -10.236 3.180 1.00 0.00 C ATOM 606 CG PRO A 38 0.967 -11.130 4.007 1.00 0.00 C ATOM 607 CD PRO A 38 -0.365 -11.255 3.302 1.00 0.00 C ATOM 0 HA PRO A 38 0.949 -8.425 2.302 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.589 -10.816 2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.358 -9.521 3.812 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.431 -12.109 4.126 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.834 -10.717 5.007 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.415 -12.161 2.698 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.191 -11.299 4.012 1.00 0.00 H new ATOM 615 N SER A 39 0.765 -10.689 0.065 1.00 0.00 N ATOM 616 CA SER A 39 1.109 -10.975 -1.328 1.00 0.00 C ATOM 617 C SER A 39 0.452 -9.965 -2.272 1.00 0.00 C ATOM 618 O SER A 39 0.714 -9.970 -3.476 1.00 0.00 O ATOM 619 CB SER A 39 0.651 -12.391 -1.690 1.00 0.00 C ATOM 620 OG SER A 39 1.235 -13.318 -0.782 1.00 0.00 O ATOM 0 H SER A 39 0.037 -11.289 0.454 1.00 0.00 H new ATOM 0 HA SER A 39 2.191 -10.897 -1.439 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.436 -12.457 -1.646 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.944 -12.631 -2.712 1.00 0.00 H new ATOM 0 HG SER A 39 0.944 -14.226 -1.009 1.00 0.00 H new ATOM 626 N GLN A 40 -0.419 -9.119 -1.717 1.00 0.00 N ATOM 627 CA GLN A 40 -1.139 -8.121 -2.510 1.00 0.00 C ATOM 628 C GLN A 40 -0.490 -6.756 -2.486 1.00 0.00 C ATOM 629 O GLN A 40 -1.003 -5.858 -3.125 1.00 0.00 O ATOM 630 CB GLN A 40 -2.571 -7.966 -1.980 1.00 0.00 C ATOM 631 CG GLN A 40 -3.315 -9.295 -2.056 1.00 0.00 C ATOM 632 CD GLN A 40 -3.503 -9.726 -3.509 1.00 0.00 C ATOM 633 OE1 GLN A 40 -4.026 -8.964 -4.325 1.00 0.00 O ATOM 634 NE2 GLN A 40 -3.101 -10.908 -3.884 1.00 0.00 N ATOM 0 H GLN A 40 -0.642 -9.105 -0.722 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.125 -8.487 -3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.547 -7.614 -0.949 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.101 -7.212 -2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.759 -10.060 -1.514 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.286 -9.202 -1.570 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.668 -11.538 -3.208 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.219 -11.203 -4.853 1.00 0.00 H new ATOM 643 N SER A 41 0.608 -6.589 -1.757 1.00 0.00 N ATOM 644 CA SER A 41 1.246 -5.280 -1.632 1.00 0.00 C ATOM 645 C SER A 41 1.234 -4.488 -2.936 1.00 0.00 C ATOM 646 O SER A 41 0.927 -3.302 -2.919 1.00 0.00 O ATOM 647 CB SER A 41 2.698 -5.459 -1.163 1.00 0.00 C ATOM 648 OG SER A 41 3.050 -6.838 -1.175 1.00 0.00 O ATOM 0 H SER A 41 1.074 -7.338 -1.245 1.00 0.00 H new ATOM 0 HA SER A 41 0.670 -4.713 -0.901 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.370 -4.899 -1.813 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.816 -5.054 -0.158 1.00 0.00 H new ATOM 0 HG SER A 41 2.643 -7.286 -0.404 1.00 0.00 H new ATOM 654 N ALA A 42 1.520 -5.140 -4.054 1.00 0.00 N ATOM 655 CA ALA A 42 1.509 -4.465 -5.343 1.00 0.00 C ATOM 656 C ALA A 42 0.094 -4.030 -5.727 1.00 0.00 C ATOM 657 O ALA A 42 -0.105 -2.977 -6.330 1.00 0.00 O ATOM 658 CB ALA A 42 2.061 -5.405 -6.404 1.00 0.00 C ATOM 0 H ALA A 42 1.761 -6.130 -4.095 1.00 0.00 H new ATOM 0 HA ALA A 42 2.130 -3.572 -5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.055 -4.904 -7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.082 -5.685 -6.146 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.441 -6.300 -6.455 1.00 0.00 H new ATOM 664 N ASN A 43 -0.879 -4.854 -5.358 1.00 0.00 N ATOM 665 CA ASN A 43 -2.275 -4.579 -5.626 1.00 0.00 C ATOM 666 C ASN A 43 -2.756 -3.442 -4.737 1.00 0.00 C ATOM 667 O ASN A 43 -3.499 -2.572 -5.155 1.00 0.00 O ATOM 668 CB ASN A 43 -3.103 -5.833 -5.368 1.00 0.00 C ATOM 669 CG ASN A 43 -4.472 -5.742 -6.040 1.00 0.00 C ATOM 670 OD1 ASN A 43 -4.900 -4.670 -6.473 1.00 0.00 O ATOM 671 ND2 ASN A 43 -5.186 -6.822 -6.151 1.00 0.00 N ATOM 0 H ASN A 43 -0.716 -5.732 -4.864 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.392 -4.285 -6.669 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.569 -6.707 -5.742 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.231 -5.972 -4.295 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.102 -6.784 -6.597 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.830 -7.708 -5.792 1.00 0.00 H new ATOM 678 N LEU A 44 -2.286 -3.475 -3.500 1.00 0.00 N ATOM 679 CA LEU A 44 -2.602 -2.470 -2.502 1.00 0.00 C ATOM 680 C LEU A 44 -2.024 -1.181 -2.995 1.00 0.00 C ATOM 681 O LEU A 44 -2.646 -0.129 -2.916 1.00 0.00 O ATOM 682 CB LEU A 44 -2.015 -2.923 -1.158 1.00 0.00 C ATOM 683 CG LEU A 44 -2.463 -4.375 -0.945 1.00 0.00 C ATOM 684 CD1 LEU A 44 -2.023 -4.935 0.386 1.00 0.00 C ATOM 685 CD2 LEU A 44 -3.965 -4.466 -1.076 1.00 0.00 C ATOM 0 H LEU A 44 -1.667 -4.210 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.672 -2.333 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.927 -2.852 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.369 -2.286 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.981 -4.979 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.369 -5.964 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.935 -4.910 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.447 -4.335 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.282 -5.498 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.435 -3.829 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.264 -4.137 -2.071 1.00 0.00 H new ATOM 697 N LEU A 45 -0.858 -1.325 -3.602 1.00 0.00 N ATOM 698 CA LEU A 45 -0.183 -0.226 -4.246 1.00 0.00 C ATOM 699 C LEU A 45 -1.076 0.280 -5.353 1.00 0.00 C ATOM 700 O LEU A 45 -1.254 1.470 -5.544 1.00 0.00 O ATOM 701 CB LEU A 45 1.086 -0.736 -4.930 1.00 0.00 C ATOM 702 CG LEU A 45 2.350 -0.207 -4.306 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.255 1.311 -4.068 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.532 -1.013 -3.032 1.00 0.00 C ATOM 0 H LEU A 45 -0.357 -2.212 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 45 0.049 0.541 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.098 -1.825 -4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.062 -0.453 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 45 3.221 -0.323 -4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.181 1.667 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.096 1.819 -5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.421 1.523 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.436 -0.684 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.671 -0.864 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.620 -2.071 -3.280 1.00 0.00 H new ATOM 716 N ALA A 46 -1.612 -0.696 -6.085 1.00 0.00 N ATOM 717 CA ALA A 46 -2.478 -0.441 -7.221 1.00 0.00 C ATOM 718 C ALA A 46 -3.710 0.300 -6.773 1.00 0.00 C ATOM 719 O ALA A 46 -4.095 1.313 -7.347 1.00 0.00 O ATOM 720 CB ALA A 46 -2.906 -1.778 -7.828 1.00 0.00 C ATOM 0 H ALA A 46 -1.453 -1.687 -5.901 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.940 0.158 -7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.558 -1.597 -8.683 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.024 -2.329 -8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.442 -2.362 -7.080 1.00 0.00 H new ATOM 726 N GLU A 47 -4.285 -0.212 -5.705 1.00 0.00 N ATOM 727 CA GLU A 47 -5.442 0.365 -5.101 1.00 0.00 C ATOM 728 C GLU A 47 -5.090 1.735 -4.572 1.00 0.00 C ATOM 729 O GLU A 47 -5.905 2.655 -4.559 1.00 0.00 O ATOM 730 CB GLU A 47 -5.851 -0.533 -3.958 1.00 0.00 C ATOM 731 CG GLU A 47 -6.503 -1.830 -4.466 1.00 0.00 C ATOM 732 CD GLU A 47 -7.655 -1.529 -5.432 1.00 0.00 C ATOM 733 OE1 GLU A 47 -8.546 -0.785 -5.053 1.00 0.00 O ATOM 734 OE2 GLU A 47 -7.621 -2.040 -6.539 1.00 0.00 O ATOM 0 H GLU A 47 -3.949 -1.052 -5.234 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.255 0.462 -5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.977 -0.776 -3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.549 -0.003 -3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.755 -2.444 -4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.875 -2.408 -3.621 1.00 0.00 H new ATOM 741 N ALA A 48 -3.845 1.846 -4.148 1.00 0.00 N ATOM 742 CA ALA A 48 -3.325 3.085 -3.629 1.00 0.00 C ATOM 743 C ALA A 48 -3.220 4.095 -4.752 1.00 0.00 C ATOM 744 O ALA A 48 -3.633 5.239 -4.599 1.00 0.00 O ATOM 745 CB ALA A 48 -1.947 2.853 -3.028 1.00 0.00 C ATOM 0 H ALA A 48 -3.172 1.079 -4.156 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.996 3.462 -2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.558 3.793 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.021 2.126 -2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.274 2.474 -3.797 1.00 0.00 H new ATOM 751 N LYS A 49 -2.697 3.639 -5.895 1.00 0.00 N ATOM 752 CA LYS A 49 -2.568 4.494 -7.066 1.00 0.00 C ATOM 753 C LYS A 49 -3.961 4.940 -7.453 1.00 0.00 C ATOM 754 O LYS A 49 -4.182 6.072 -7.866 1.00 0.00 O ATOM 755 CB LYS A 49 -1.988 3.722 -8.264 1.00 0.00 C ATOM 756 CG LYS A 49 -0.629 3.064 -7.963 1.00 0.00 C ATOM 757 CD LYS A 49 0.214 3.920 -7.016 1.00 0.00 C ATOM 758 CE LYS A 49 1.636 3.345 -6.897 1.00 0.00 C ATOM 759 NZ LYS A 49 1.598 1.854 -6.970 1.00 0.00 N ATOM 0 H LYS A 49 -2.359 2.686 -6.028 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.906 5.326 -6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.697 2.952 -8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.875 4.404 -9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.790 2.081 -7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.085 2.908 -8.895 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.259 4.945 -7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.255 3.955 -6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.264 3.739 -7.696 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.085 3.659 -5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.505 1.467 -6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.829 1.496 -6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.433 1.559 -7.953 1.00 0.00 H new ATOM 773 N LYS A 50 -4.893 4.003 -7.291 1.00 0.00 N ATOM 774 CA LYS A 50 -6.292 4.248 -7.599 1.00 0.00 C ATOM 775 C LYS A 50 -6.877 5.273 -6.647 1.00 0.00 C ATOM 776 O LYS A 50 -7.616 6.167 -7.062 1.00 0.00 O ATOM 777 CB LYS A 50 -7.083 2.936 -7.521 1.00 0.00 C ATOM 778 CG LYS A 50 -6.754 2.070 -8.738 1.00 0.00 C ATOM 779 CD LYS A 50 -7.480 0.725 -8.627 1.00 0.00 C ATOM 780 CE LYS A 50 -6.807 -0.293 -9.551 1.00 0.00 C ATOM 781 NZ LYS A 50 -5.979 -1.228 -8.736 1.00 0.00 N ATOM 0 H LYS A 50 -4.698 3.063 -6.946 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.362 4.644 -8.612 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.834 2.403 -6.604 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.152 3.145 -7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.054 2.582 -9.652 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.678 1.909 -8.802 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.455 0.370 -7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.529 0.842 -8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.561 -0.849 -10.109 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.183 0.220 -10.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.575 -1.961 -9.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.210 -0.700 -8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.574 -1.676 -8.010 1.00 0.00 H new ATOM 795 N LEU A 51 -6.524 5.145 -5.372 1.00 0.00 N ATOM 796 CA LEU A 51 -7.013 6.082 -4.367 1.00 0.00 C ATOM 797 C LEU A 51 -6.358 7.440 -4.549 1.00 0.00 C ATOM 798 O LEU A 51 -7.020 8.474 -4.468 1.00 0.00 O ATOM 799 CB LEU A 51 -6.779 5.542 -2.945 1.00 0.00 C ATOM 800 CG LEU A 51 -8.132 5.142 -2.315 1.00 0.00 C ATOM 801 CD1 LEU A 51 -9.091 6.347 -2.278 1.00 0.00 C ATOM 802 CD2 LEU A 51 -8.769 4.005 -3.136 1.00 0.00 C ATOM 0 H LEU A 51 -5.910 4.413 -5.014 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.088 6.198 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.112 4.680 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.291 6.300 -2.333 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.953 4.805 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.038 6.045 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.648 7.146 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.266 6.704 -3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.723 3.724 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.932 4.343 -4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.103 3.142 -3.140 1.00 0.00 H new ATOM 814 N ASN A 52 -5.055 7.424 -4.815 1.00 0.00 N ATOM 815 CA ASN A 52 -4.317 8.652 -5.036 1.00 0.00 C ATOM 816 C ASN A 52 -4.811 9.326 -6.309 1.00 0.00 C ATOM 817 O ASN A 52 -5.031 10.530 -6.330 1.00 0.00 O ATOM 818 CB ASN A 52 -2.821 8.330 -5.111 1.00 0.00 C ATOM 819 CG ASN A 52 -2.221 8.662 -6.475 1.00 0.00 C ATOM 820 OD1 ASN A 52 -2.021 7.775 -7.304 1.00 0.00 O ATOM 821 ND2 ASN A 52 -1.921 9.892 -6.752 1.00 0.00 N ATOM 0 H ASN A 52 -4.495 6.574 -4.881 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.478 9.345 -4.210 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.293 8.890 -4.339 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.669 7.272 -4.898 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.518 10.127 -7.659 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.088 10.625 -6.063 1.00 0.00 H new ATOM 828 N ASP A 53 -4.999 8.525 -7.359 1.00 0.00 N ATOM 829 CA ASP A 53 -5.488 9.039 -8.629 1.00 0.00 C ATOM 830 C ASP A 53 -6.850 9.669 -8.416 1.00 0.00 C ATOM 831 O ASP A 53 -7.153 10.741 -8.943 1.00 0.00 O ATOM 832 CB ASP A 53 -5.586 7.904 -9.662 1.00 0.00 C ATOM 833 CG ASP A 53 -6.227 8.400 -10.965 1.00 0.00 C ATOM 834 OD1 ASP A 53 -5.888 9.489 -11.405 1.00 0.00 O ATOM 835 OD2 ASP A 53 -7.056 7.683 -11.500 1.00 0.00 O ATOM 0 H ASP A 53 -4.819 7.521 -7.350 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.793 9.789 -9.008 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.591 7.509 -9.869 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.175 7.084 -9.252 1.00 0.00 H new ATOM 840 N ALA A 54 -7.646 8.992 -7.603 1.00 0.00 N ATOM 841 CA ALA A 54 -8.973 9.461 -7.256 1.00 0.00 C ATOM 842 C ALA A 54 -8.863 10.748 -6.449 1.00 0.00 C ATOM 843 O ALA A 54 -9.697 11.646 -6.582 1.00 0.00 O ATOM 844 CB ALA A 54 -9.703 8.394 -6.439 1.00 0.00 C ATOM 0 H ALA A 54 -7.389 8.106 -7.168 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.537 9.656 -8.168 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.700 8.752 -6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.787 7.480 -7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.144 8.189 -5.526 1.00 0.00 H new ATOM 850 N GLN A 55 -7.812 10.832 -5.624 1.00 0.00 N ATOM 851 CA GLN A 55 -7.582 12.018 -4.806 1.00 0.00 C ATOM 852 C GLN A 55 -6.753 13.054 -5.568 1.00 0.00 C ATOM 853 O GLN A 55 -6.504 14.153 -5.068 1.00 0.00 O ATOM 854 CB GLN A 55 -6.896 11.617 -3.497 1.00 0.00 C ATOM 855 CG GLN A 55 -7.976 11.204 -2.486 1.00 0.00 C ATOM 856 CD GLN A 55 -7.450 11.338 -1.067 1.00 0.00 C ATOM 857 OE1 GLN A 55 -7.854 12.239 -0.334 1.00 0.00 O ATOM 858 NE2 GLN A 55 -6.567 10.494 -0.640 1.00 0.00 N ATOM 0 H GLN A 55 -7.115 10.096 -5.509 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.542 12.477 -4.571 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.204 10.793 -3.669 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.310 12.449 -3.106 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.861 11.828 -2.613 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.283 10.175 -2.672 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.236 9.749 -1.253 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.202 10.574 0.309 1.00 0.00 H new ATOM 867 N ALA A 56 -6.338 12.693 -6.784 1.00 0.00 N ATOM 868 CA ALA A 56 -5.546 13.586 -7.626 1.00 0.00 C ATOM 869 C ALA A 56 -6.448 14.487 -8.454 1.00 0.00 C ATOM 870 O ALA A 56 -7.648 14.231 -8.584 1.00 0.00 O ATOM 871 CB ALA A 56 -4.643 12.777 -8.560 1.00 0.00 C ATOM 0 H ALA A 56 -6.539 11.787 -7.206 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.930 14.204 -6.973 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.059 13.457 -9.181 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.969 12.157 -7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.256 12.140 -9.197 1.00 0.00 H new ATOM 877 N PRO A 57 -5.890 15.536 -9.013 1.00 0.00 N ATOM 878 CA PRO A 57 -6.643 16.510 -9.846 1.00 0.00 C ATOM 879 C PRO A 57 -6.833 16.014 -11.276 1.00 0.00 C ATOM 880 O PRO A 57 -7.087 16.794 -12.197 1.00 0.00 O ATOM 881 CB PRO A 57 -5.769 17.778 -9.796 1.00 0.00 C ATOM 882 CG PRO A 57 -4.564 17.442 -8.968 1.00 0.00 C ATOM 883 CD PRO A 57 -4.480 15.929 -8.921 1.00 0.00 C ATOM 0 HA PRO A 57 -7.655 16.678 -9.479 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.475 18.085 -10.800 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.320 18.610 -9.357 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.661 17.867 -9.407 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.656 17.856 -7.964 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.891 15.528 -9.746 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.018 15.576 -7.999 1.00 0.00 H new ATOM 891 N LYS A 58 -6.713 14.701 -11.428 1.00 0.00 N ATOM 892 CA LYS A 58 -6.864 14.031 -12.724 1.00 0.00 C ATOM 893 C LYS A 58 -6.082 14.775 -13.824 1.00 0.00 C ATOM 894 O LYS A 58 -4.893 14.972 -13.636 1.00 0.00 O ATOM 895 CB LYS A 58 -8.363 13.913 -13.079 1.00 0.00 C ATOM 896 CG LYS A 58 -9.125 13.195 -11.951 1.00 0.00 C ATOM 897 CD LYS A 58 -8.633 11.745 -11.814 1.00 0.00 C ATOM 898 CE LYS A 58 -9.543 10.979 -10.850 1.00 0.00 C ATOM 899 NZ LYS A 58 -9.100 9.558 -10.775 1.00 0.00 N ATOM 900 OXT LYS A 58 -6.674 15.139 -14.832 1.00 0.00 O ATOM 0 H LYS A 58 -6.508 14.065 -10.657 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.445 13.027 -12.654 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.785 14.905 -13.238 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.480 13.364 -14.013 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.980 13.726 -11.010 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.194 13.205 -12.162 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.629 11.259 -12.789 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.607 11.732 -11.448 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.509 11.435 -9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.577 11.032 -11.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.926 8.944 -10.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.626 9.295 -11.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.438 9.442 -9.982 1.00 0.00 H new TER 914 LYS A 58