USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 525 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 18 THR OG1 : rot -160:sc= -1.05 USER MOD Set 1.2: A 21 MET CE :methyl 175:sc= -3.9! (180deg=-3.85!) USER MOD Set 2.1: A 0 MET N :NH3+ 164:sc=-0.00994 (180deg=-0.188) USER MOD Set 2.2: A 1 ASN : amide:sc= -0.071 K(o=-0.081,f=-0.77) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot -95:sc= -0.238 USER MOD Single : A 9 GLN : amide:sc= -1.71! C(o=-1.7!,f=-2!) USER MOD Single : A 14 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.4!) USER MOD Single : A 15 THR OG1 : rot 70:sc= -2.2! USER MOD Single : A 22 MET CE :methyl -139:sc= -2.64 (180deg=-3.34) USER MOD Single : A 23 THR OG1 : rot 45:sc= 0.167! USER MOD Single : A 24 THR OG1 : rot 89:sc= 1.25 USER MOD Single : A 28 SER OG : rot 180:sc= -0.023 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 42 SER OG : rot 97:sc= -0.211 USER MOD Single : A 43 MET CE :methyl -138:sc= -4.92! (180deg=-11.3!) USER MOD Single : A 44 GLN : amide:sc=-0.000548 X(o=-0.00055,f=0) USER MOD Single : A 46 ASN :FLIP amide:sc= -6.18! C(o=-10!,f=-6.2!) USER MOD Single : A 47 GLN :FLIP amide:sc= -1.08 F(o=-2.3!,f=-1.1) USER MOD Single : A 51 MET CE :methyl 170:sc= -3.32! (180deg=-3.47!) USER MOD Single : A 53 THR OG1 : rot 103:sc= 0 USER MOD Single : A 54 THR OG1 : rot -19:sc= -5.25! USER MOD Single : A 56 MET CE :methyl -153:sc= -1.81 (180deg=-3.36!) USER MOD Single : A 59 MET CE :methyl -117:sc= -5.87! (180deg=-6.81!) USER MOD Single : A 61 LYS NZ :NH3+ 165:sc=-0.00394 (180deg=-0.104) USER MOD Single : A 63 TYR OH : rot -28:sc= 0.543 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 0.453 -0.456 0.565 1.00 22.24 N ATOM 2 CA MET A 0 1.304 -0.182 -0.580 1.00 1.40 C ATOM 3 C MET A 0 0.885 -1.022 -1.788 1.00 44.11 C ATOM 4 O MET A 0 1.734 -1.510 -2.533 1.00 74.22 O ATOM 5 CB MET A 0 2.759 -0.492 -0.221 1.00 72.15 C ATOM 6 CG MET A 0 3.720 0.396 -1.014 1.00 62.44 C ATOM 7 SD MET A 0 3.645 2.072 -0.406 1.00 44.12 S ATOM 8 CE MET A 0 4.858 1.982 0.900 1.00 2.24 C ATOM 0 H1 MET A 0 0.906 -0.095 1.429 1.00 22.24 H new ATOM 0 H2 MET A 0 -0.466 0.013 0.435 1.00 22.24 H new ATOM 0 H3 MET A 0 0.309 -1.482 0.653 1.00 22.24 H new ATOM 0 HA MET A 0 1.202 0.871 -0.841 1.00 1.40 H new ATOM 0 HB2 MET A 0 2.914 -0.339 0.847 1.00 72.15 H new ATOM 0 HB3 MET A 0 2.973 -1.541 -0.427 1.00 72.15 H new ATOM 0 HG2 MET A 0 4.737 0.014 -0.927 1.00 62.44 H new ATOM 0 HG3 MET A 0 3.460 0.372 -2.072 1.00 62.44 H new ATOM 0 HE1 MET A 0 4.938 2.953 1.389 1.00 2.24 H new ATOM 0 HE2 MET A 0 4.552 1.232 1.630 1.00 2.24 H new ATOM 0 HE3 MET A 0 5.825 1.706 0.480 1.00 2.24 H new ATOM 18 N ASN A 1 -0.422 -1.165 -1.945 1.00 15.34 N ATOM 19 CA ASN A 1 -0.964 -1.937 -3.050 1.00 30.55 C ATOM 20 C ASN A 1 -1.624 -0.990 -4.054 1.00 24.22 C ATOM 21 O ASN A 1 -2.377 -0.098 -3.668 1.00 40.42 O ATOM 22 CB ASN A 1 -2.027 -2.925 -2.563 1.00 4.44 C ATOM 23 CG ASN A 1 -1.559 -3.656 -1.303 1.00 31.32 C ATOM 24 OD1 ASN A 1 -1.512 -3.105 -0.215 1.00 64.43 O ATOM 25 ND2 ASN A 1 -1.218 -4.925 -1.509 1.00 44.14 N ATOM 0 H ASN A 1 -1.123 -0.759 -1.325 1.00 15.34 H new ATOM 0 HA ASN A 1 -0.144 -2.487 -3.510 1.00 30.55 H new ATOM 0 HB2 ASN A 1 -2.955 -2.393 -2.356 1.00 4.44 H new ATOM 0 HB3 ASN A 1 -2.243 -3.649 -3.349 1.00 4.44 H new ATOM 0 HD21 ASN A 1 -0.894 -5.499 -0.731 1.00 44.14 H new ATOM 0 HD22 ASN A 1 -1.281 -5.324 -2.445 1.00 44.14 H new ATOM 32 N GLN A 2 -1.316 -1.217 -5.322 1.00 52.25 N ATOM 33 CA GLN A 2 -1.870 -0.395 -6.385 1.00 43.30 C ATOM 34 C GLN A 2 -3.374 -0.642 -6.519 1.00 64.10 C ATOM 35 O GLN A 2 -3.794 -1.725 -6.924 1.00 55.41 O ATOM 36 CB GLN A 2 -1.151 -0.655 -7.710 1.00 50.34 C ATOM 37 CG GLN A 2 -1.857 0.058 -8.866 1.00 4.12 C ATOM 38 CD GLN A 2 -1.595 1.565 -8.822 1.00 21.01 C ATOM 39 OE1 GLN A 2 -0.489 2.035 -9.030 1.00 5.43 O ATOM 40 NE2 GLN A 2 -2.672 2.293 -8.541 1.00 2.13 N ATOM 0 H GLN A 2 -0.690 -1.958 -5.638 1.00 52.25 H new ATOM 0 HA GLN A 2 -1.716 0.652 -6.125 1.00 43.30 H new ATOM 0 HB2 GLN A 2 -0.119 -0.311 -7.642 1.00 50.34 H new ATOM 0 HB3 GLN A 2 -1.117 -1.727 -7.905 1.00 50.34 H new ATOM 0 HG2 GLN A 2 -1.508 -0.348 -9.816 1.00 4.12 H new ATOM 0 HG3 GLN A 2 -2.929 -0.130 -8.813 1.00 4.12 H new ATOM 0 HE21 GLN A 2 -3.569 1.835 -8.377 1.00 2.13 H new ATOM 0 HE22 GLN A 2 -2.601 3.309 -8.489 1.00 2.13 H new ATOM 49 N GLU A 3 -4.142 0.379 -6.171 1.00 54.31 N ATOM 50 CA GLU A 3 -5.590 0.286 -6.247 1.00 54.24 C ATOM 51 C GLU A 3 -6.078 0.726 -7.629 1.00 75.12 C ATOM 52 O GLU A 3 -5.951 1.894 -7.994 1.00 64.40 O ATOM 53 CB GLU A 3 -6.252 1.113 -5.143 1.00 40.45 C ATOM 54 CG GLU A 3 -6.704 0.221 -3.986 1.00 10.13 C ATOM 55 CD GLU A 3 -7.681 0.963 -3.071 1.00 71.41 C ATOM 56 OE1 GLU A 3 -7.398 2.093 -2.649 1.00 11.54 O ATOM 57 OE2 GLU A 3 -8.769 0.323 -2.803 1.00 1.22 O ATOM 0 H GLU A 3 -3.789 1.275 -5.836 1.00 54.31 H new ATOM 0 HA GLU A 3 -5.876 -0.755 -6.096 1.00 54.24 H new ATOM 0 HB2 GLU A 3 -5.552 1.863 -4.776 1.00 40.45 H new ATOM 0 HB3 GLU A 3 -7.109 1.649 -5.550 1.00 40.45 H new ATOM 0 HG2 GLU A 3 -7.179 -0.678 -4.379 1.00 10.13 H new ATOM 0 HG3 GLU A 3 -5.836 -0.103 -3.411 1.00 10.13 H new ATOM 65 N SER A 4 -6.628 -0.233 -8.360 1.00 44.14 N ATOM 66 CA SER A 4 -7.135 0.041 -9.694 1.00 74.30 C ATOM 67 C SER A 4 -8.662 0.140 -9.663 1.00 21.44 C ATOM 68 O SER A 4 -9.310 -0.473 -8.815 1.00 41.22 O ATOM 69 CB SER A 4 -6.694 -1.039 -10.684 1.00 23.02 C ATOM 70 OG SER A 4 -5.289 -1.274 -10.626 1.00 53.01 O ATOM 0 H SER A 4 -6.734 -1.200 -8.054 1.00 44.14 H new ATOM 0 HA SER A 4 -6.721 0.993 -10.028 1.00 74.30 H new ATOM 0 HB2 SER A 4 -7.226 -1.966 -10.470 1.00 23.02 H new ATOM 0 HB3 SER A 4 -6.970 -0.739 -11.695 1.00 23.02 H new ATOM 0 HG SER A 4 -4.839 -0.741 -11.314 1.00 53.01 H new ATOM 76 N VAL A 5 -9.192 0.915 -10.597 1.00 0.54 N ATOM 77 CA VAL A 5 -10.630 1.102 -10.687 1.00 12.54 C ATOM 78 C VAL A 5 -11.303 -0.252 -10.920 1.00 44.24 C ATOM 79 O VAL A 5 -10.799 -1.076 -11.682 1.00 42.33 O ATOM 80 CB VAL A 5 -10.957 2.128 -11.774 1.00 15.11 C ATOM 81 CG1 VAL A 5 -12.465 2.199 -12.025 1.00 70.50 C ATOM 82 CG2 VAL A 5 -10.396 3.505 -11.415 1.00 52.41 C ATOM 0 H VAL A 5 -8.651 1.421 -11.298 1.00 0.54 H new ATOM 0 HA VAL A 5 -11.022 1.503 -9.752 1.00 12.54 H new ATOM 0 HB VAL A 5 -10.478 1.802 -12.697 1.00 15.11 H new ATOM 0 HG11 VAL A 5 -12.670 2.936 -12.802 1.00 70.50 H new ATOM 0 HG12 VAL A 5 -12.827 1.222 -12.346 1.00 70.50 H new ATOM 0 HG13 VAL A 5 -12.974 2.490 -11.106 1.00 70.50 H new ATOM 0 HG21 VAL A 5 -10.642 4.215 -12.204 1.00 52.41 H new ATOM 0 HG22 VAL A 5 -10.832 3.842 -10.475 1.00 52.41 H new ATOM 0 HG23 VAL A 5 -9.313 3.441 -11.310 1.00 52.41 H new ATOM 92 N VAL A 6 -12.430 -0.440 -10.251 1.00 32.12 N ATOM 93 CA VAL A 6 -13.177 -1.680 -10.376 1.00 62.31 C ATOM 94 C VAL A 6 -14.671 -1.364 -10.473 1.00 4.30 C ATOM 95 O VAL A 6 -15.204 -0.612 -9.658 1.00 64.21 O ATOM 96 CB VAL A 6 -12.838 -2.615 -9.213 1.00 10.21 C ATOM 97 CG1 VAL A 6 -13.585 -3.944 -9.342 1.00 10.21 C ATOM 98 CG2 VAL A 6 -11.328 -2.842 -9.114 1.00 12.31 C ATOM 0 H VAL A 6 -12.845 0.246 -9.620 1.00 32.12 H new ATOM 0 HA VAL A 6 -12.896 -2.204 -11.290 1.00 62.31 H new ATOM 0 HB VAL A 6 -13.166 -2.135 -8.291 1.00 10.21 H new ATOM 0 HG11 VAL A 6 -13.326 -4.590 -8.503 1.00 10.21 H new ATOM 0 HG12 VAL A 6 -14.659 -3.759 -9.340 1.00 10.21 H new ATOM 0 HG13 VAL A 6 -13.303 -4.431 -10.275 1.00 10.21 H new ATOM 0 HG21 VAL A 6 -11.114 -3.510 -8.280 1.00 12.31 H new ATOM 0 HG22 VAL A 6 -10.966 -3.290 -10.039 1.00 12.31 H new ATOM 0 HG23 VAL A 6 -10.826 -1.888 -8.953 1.00 12.31 H new ATOM 108 N ALA A 7 -15.304 -1.953 -11.477 1.00 1.05 N ATOM 109 CA ALA A 7 -16.726 -1.743 -11.691 1.00 23.25 C ATOM 110 C ALA A 7 -17.477 -1.998 -10.382 1.00 70.24 C ATOM 111 O ALA A 7 -17.633 -3.145 -9.965 1.00 50.23 O ATOM 112 CB ALA A 7 -17.210 -2.646 -12.827 1.00 22.44 C ATOM 0 H ALA A 7 -14.858 -2.575 -12.151 1.00 1.05 H new ATOM 0 HA ALA A 7 -16.922 -0.713 -11.988 1.00 23.25 H new ATOM 0 HB1 ALA A 7 -18.277 -2.489 -12.988 1.00 22.44 H new ATOM 0 HB2 ALA A 7 -16.666 -2.405 -13.740 1.00 22.44 H new ATOM 0 HB3 ALA A 7 -17.033 -3.689 -12.564 1.00 22.44 H new ATOM 118 N ALA A 8 -17.923 -0.910 -9.771 1.00 65.33 N ATOM 119 CA ALA A 8 -18.654 -1.002 -8.519 1.00 42.40 C ATOM 120 C ALA A 8 -19.959 -1.766 -8.750 1.00 63.20 C ATOM 121 O ALA A 8 -20.492 -2.384 -7.830 1.00 25.24 O ATOM 122 CB ALA A 8 -18.892 0.404 -7.963 1.00 60.31 C ATOM 0 H ALA A 8 -17.792 0.040 -10.120 1.00 65.33 H new ATOM 0 HA ALA A 8 -18.077 -1.553 -7.777 1.00 42.40 H new ATOM 0 HB1 ALA A 8 -19.441 0.336 -7.024 1.00 60.31 H new ATOM 0 HB2 ALA A 8 -17.934 0.893 -7.789 1.00 60.31 H new ATOM 0 HB3 ALA A 8 -19.472 0.986 -8.680 1.00 60.31 H new ATOM 128 N GLN A 9 -20.436 -1.699 -9.984 1.00 62.42 N ATOM 129 CA GLN A 9 -21.668 -2.378 -10.348 1.00 13.31 C ATOM 130 C GLN A 9 -21.703 -2.645 -11.854 1.00 42.30 C ATOM 131 O GLN A 9 -20.759 -2.311 -12.569 1.00 21.42 O ATOM 132 CB GLN A 9 -22.890 -1.569 -9.906 1.00 61.43 C ATOM 133 CG GLN A 9 -22.773 -0.111 -10.354 1.00 14.11 C ATOM 134 CD GLN A 9 -24.156 0.526 -10.514 1.00 24.45 C ATOM 135 OE1 GLN A 9 -24.884 0.262 -11.456 1.00 61.21 O ATOM 136 NE2 GLN A 9 -24.475 1.376 -9.542 1.00 41.32 N ATOM 0 H GLN A 9 -19.992 -1.185 -10.745 1.00 62.42 H new ATOM 0 HA GLN A 9 -21.699 -3.336 -9.829 1.00 13.31 H new ATOM 0 HB2 GLN A 9 -23.794 -2.011 -10.325 1.00 61.43 H new ATOM 0 HB3 GLN A 9 -22.987 -1.613 -8.821 1.00 61.43 H new ATOM 0 HG2 GLN A 9 -22.192 0.452 -9.624 1.00 14.11 H new ATOM 0 HG3 GLN A 9 -22.233 -0.059 -11.300 1.00 14.11 H new ATOM 0 HE21 GLN A 9 -23.818 1.551 -8.782 1.00 41.32 H new ATOM 0 HE22 GLN A 9 -25.377 1.852 -9.557 1.00 41.32 H new ATOM 145 N LEU A 10 -22.801 -3.243 -12.292 1.00 23.44 N ATOM 146 CA LEU A 10 -22.971 -3.559 -13.700 1.00 5.12 C ATOM 147 C LEU A 10 -22.863 -2.273 -14.523 1.00 31.44 C ATOM 148 O LEU A 10 -23.650 -1.347 -14.338 1.00 54.43 O ATOM 149 CB LEU A 10 -24.276 -4.325 -13.924 1.00 1.04 C ATOM 150 CG LEU A 10 -24.526 -4.823 -15.349 1.00 3.43 C ATOM 151 CD1 LEU A 10 -23.721 -6.092 -15.635 1.00 44.53 C ATOM 152 CD2 LEU A 10 -26.021 -5.022 -15.606 1.00 23.13 C ATOM 0 H LEU A 10 -23.582 -3.517 -11.696 1.00 23.44 H new ATOM 0 HA LEU A 10 -22.177 -4.224 -14.040 1.00 5.12 H new ATOM 0 HB2 LEU A 10 -24.290 -5.184 -13.253 1.00 1.04 H new ATOM 0 HB3 LEU A 10 -25.106 -3.681 -13.635 1.00 1.04 H new ATOM 0 HG LEU A 10 -24.179 -4.058 -16.044 1.00 3.43 H new ATOM 0 HD11 LEU A 10 -23.917 -6.425 -16.654 1.00 44.53 H new ATOM 0 HD12 LEU A 10 -22.658 -5.882 -15.520 1.00 44.53 H new ATOM 0 HD13 LEU A 10 -24.014 -6.874 -14.935 1.00 44.53 H new ATOM 0 HD21 LEU A 10 -26.171 -5.376 -16.626 1.00 23.13 H new ATOM 0 HD22 LEU A 10 -26.416 -5.757 -14.905 1.00 23.13 H new ATOM 0 HD23 LEU A 10 -26.543 -4.075 -15.471 1.00 23.13 H new ATOM 164 N ILE A 11 -21.882 -2.259 -15.413 1.00 1.22 N ATOM 165 CA ILE A 11 -21.661 -1.102 -16.264 1.00 72.44 C ATOM 166 C ILE A 11 -21.825 -1.514 -17.729 1.00 24.31 C ATOM 167 O ILE A 11 -20.950 -2.168 -18.295 1.00 2.11 O ATOM 168 CB ILE A 11 -20.308 -0.459 -15.954 1.00 14.31 C ATOM 169 CG1 ILE A 11 -19.909 -0.699 -14.497 1.00 4.23 C ATOM 170 CG2 ILE A 11 -20.315 1.030 -16.309 1.00 32.34 C ATOM 171 CD1 ILE A 11 -18.744 0.207 -14.091 1.00 51.12 C ATOM 0 H ILE A 11 -21.231 -3.030 -15.563 1.00 1.22 H new ATOM 0 HA ILE A 11 -22.407 -0.333 -16.063 1.00 72.44 H new ATOM 0 HB ILE A 11 -19.552 -0.935 -16.578 1.00 14.31 H new ATOM 0 HG12 ILE A 11 -20.764 -0.512 -13.847 1.00 4.23 H new ATOM 0 HG13 ILE A 11 -19.627 -1.743 -14.361 1.00 4.23 H new ATOM 0 HG21 ILE A 11 -19.342 1.463 -16.079 1.00 32.34 H new ATOM 0 HG22 ILE A 11 -20.523 1.150 -17.372 1.00 32.34 H new ATOM 0 HG23 ILE A 11 -21.085 1.539 -15.729 1.00 32.34 H new ATOM 0 HD11 ILE A 11 -18.480 0.016 -13.051 1.00 51.12 H new ATOM 0 HD12 ILE A 11 -17.884 0.000 -14.727 1.00 51.12 H new ATOM 0 HD13 ILE A 11 -19.038 1.250 -14.205 1.00 51.12 H new ATOM 183 N PRO A 12 -22.981 -1.104 -18.316 1.00 20.33 N ATOM 184 CA PRO A 12 -23.270 -1.424 -19.703 1.00 53.33 C ATOM 185 C PRO A 12 -22.441 -0.554 -20.651 1.00 22.45 C ATOM 186 O PRO A 12 -21.867 0.451 -20.234 1.00 71.21 O ATOM 187 CB PRO A 12 -24.767 -1.205 -19.854 1.00 1.15 C ATOM 188 CG PRO A 12 -25.180 -0.330 -18.681 1.00 31.30 C ATOM 189 CD PRO A 12 -24.040 -0.329 -17.676 1.00 43.31 C ATOM 0 HA PRO A 12 -23.002 -2.448 -19.962 1.00 53.33 H new ATOM 0 HB2 PRO A 12 -24.997 -0.721 -20.803 1.00 1.15 H new ATOM 0 HB3 PRO A 12 -25.304 -2.154 -19.842 1.00 1.15 H new ATOM 0 HG2 PRO A 12 -25.393 0.685 -19.018 1.00 31.30 H new ATOM 0 HG3 PRO A 12 -26.092 -0.712 -18.223 1.00 31.30 H new ATOM 0 HD2 PRO A 12 -23.709 0.685 -17.454 1.00 43.31 H new ATOM 0 HD3 PRO A 12 -24.345 -0.779 -16.731 1.00 43.31 H new ATOM 197 N ILE A 13 -22.404 -0.973 -21.907 1.00 21.21 N ATOM 198 CA ILE A 13 -21.654 -0.245 -22.917 1.00 33.33 C ATOM 199 C ILE A 13 -22.339 1.097 -23.185 1.00 24.40 C ATOM 200 O ILE A 13 -23.564 1.168 -23.264 1.00 60.34 O ATOM 201 CB ILE A 13 -21.471 -1.103 -24.170 1.00 62.51 C ATOM 202 CG1 ILE A 13 -20.500 -0.442 -25.150 1.00 51.23 C ATOM 203 CG2 ILE A 13 -22.819 -1.417 -24.822 1.00 70.00 C ATOM 204 CD1 ILE A 13 -20.641 -1.042 -26.551 1.00 22.14 C ATOM 0 H ILE A 13 -22.881 -1.807 -22.249 1.00 21.21 H new ATOM 0 HA ILE A 13 -20.648 -0.025 -22.560 1.00 33.33 H new ATOM 0 HB ILE A 13 -21.029 -2.054 -23.871 1.00 62.51 H new ATOM 0 HG12 ILE A 13 -20.691 0.630 -25.189 1.00 51.23 H new ATOM 0 HG13 ILE A 13 -19.477 -0.571 -24.797 1.00 51.23 H new ATOM 0 HG21 ILE A 13 -22.660 -2.028 -25.710 1.00 70.00 H new ATOM 0 HG22 ILE A 13 -23.447 -1.960 -24.116 1.00 70.00 H new ATOM 0 HG23 ILE A 13 -23.312 -0.487 -25.105 1.00 70.00 H new ATOM 0 HD11 ILE A 13 -19.940 -0.554 -27.228 1.00 22.14 H new ATOM 0 HD12 ILE A 13 -20.426 -2.110 -26.513 1.00 22.14 H new ATOM 0 HD13 ILE A 13 -21.658 -0.890 -26.911 1.00 22.14 H new ATOM 216 N ASN A 14 -21.517 2.128 -23.317 1.00 61.51 N ATOM 217 CA ASN A 14 -22.028 3.463 -23.575 1.00 5.32 C ATOM 218 C ASN A 14 -22.723 3.990 -22.318 1.00 5.23 C ATOM 219 O ASN A 14 -23.687 4.748 -22.409 1.00 32.12 O ATOM 220 CB ASN A 14 -23.052 3.452 -24.711 1.00 65.34 C ATOM 221 CG ASN A 14 -22.540 2.637 -25.902 1.00 15.34 C ATOM 222 OD1 ASN A 14 -21.354 2.573 -26.180 1.00 12.15 O ATOM 223 ND2 ASN A 14 -23.499 2.021 -26.587 1.00 31.43 N ATOM 0 H ASN A 14 -20.501 2.065 -23.250 1.00 61.51 H new ATOM 0 HA ASN A 14 -21.187 4.097 -23.854 1.00 5.32 H new ATOM 0 HB2 ASN A 14 -23.992 3.031 -24.354 1.00 65.34 H new ATOM 0 HB3 ASN A 14 -23.261 4.474 -25.028 1.00 65.34 H new ATOM 0 HD21 ASN A 14 -23.261 1.453 -27.400 1.00 31.43 H new ATOM 0 HD22 ASN A 14 -24.473 2.117 -26.300 1.00 31.43 H new ATOM 230 N THR A 15 -22.205 3.568 -21.173 1.00 52.13 N ATOM 231 CA THR A 15 -22.764 3.988 -19.899 1.00 60.04 C ATOM 232 C THR A 15 -21.826 4.978 -19.206 1.00 52.43 C ATOM 233 O THR A 15 -20.730 4.611 -18.786 1.00 32.10 O ATOM 234 CB THR A 15 -23.044 2.734 -19.070 1.00 21.55 C ATOM 235 OG1 THR A 15 -23.829 1.915 -19.932 1.00 34.03 O ATOM 236 CG2 THR A 15 -23.964 3.012 -17.879 1.00 74.05 C ATOM 0 H THR A 15 -21.405 2.940 -21.101 1.00 52.13 H new ATOM 0 HA THR A 15 -23.705 4.521 -20.036 1.00 60.04 H new ATOM 0 HB THR A 15 -22.102 2.319 -18.711 1.00 21.55 H new ATOM 0 HG1 THR A 15 -23.271 1.586 -20.668 1.00 34.03 H new ATOM 0 HG21 THR A 15 -24.130 2.089 -17.324 1.00 74.05 H new ATOM 0 HG22 THR A 15 -23.499 3.750 -17.225 1.00 74.05 H new ATOM 0 HG23 THR A 15 -24.919 3.396 -18.239 1.00 74.05 H new ATOM 244 N ALA A 16 -22.291 6.215 -19.108 1.00 54.14 N ATOM 245 CA ALA A 16 -21.508 7.261 -18.473 1.00 40.24 C ATOM 246 C ALA A 16 -21.082 6.798 -17.079 1.00 13.23 C ATOM 247 O ALA A 16 -21.914 6.674 -16.181 1.00 51.21 O ATOM 248 CB ALA A 16 -22.322 8.556 -18.435 1.00 3.32 C ATOM 0 H ALA A 16 -23.201 6.516 -19.458 1.00 54.14 H new ATOM 0 HA ALA A 16 -20.602 7.463 -19.044 1.00 40.24 H new ATOM 0 HB1 ALA A 16 -21.735 9.341 -17.959 1.00 3.32 H new ATOM 0 HB2 ALA A 16 -22.574 8.858 -19.452 1.00 3.32 H new ATOM 0 HB3 ALA A 16 -23.238 8.393 -17.868 1.00 3.32 H new ATOM 254 N LEU A 17 -19.787 6.555 -16.940 1.00 52.44 N ATOM 255 CA LEU A 17 -19.241 6.109 -15.670 1.00 60.21 C ATOM 256 C LEU A 17 -19.605 7.119 -14.580 1.00 63.01 C ATOM 257 O LEU A 17 -19.698 8.317 -14.845 1.00 20.41 O ATOM 258 CB LEU A 17 -17.738 5.852 -15.794 1.00 3.11 C ATOM 259 CG LEU A 17 -17.326 4.719 -16.736 1.00 31.44 C ATOM 260 CD1 LEU A 17 -15.821 4.750 -17.006 1.00 25.45 C ATOM 261 CD2 LEU A 17 -17.784 3.363 -16.194 1.00 64.33 C ATOM 0 H LEU A 17 -19.100 6.659 -17.687 1.00 52.44 H new ATOM 0 HA LEU A 17 -19.681 5.155 -15.380 1.00 60.21 H new ATOM 0 HB2 LEU A 17 -17.259 6.771 -16.132 1.00 3.11 H new ATOM 0 HB3 LEU A 17 -17.344 5.634 -14.801 1.00 3.11 H new ATOM 0 HG LEU A 17 -17.827 4.870 -17.692 1.00 31.44 H new ATOM 0 HD11 LEU A 17 -15.555 3.934 -17.678 1.00 25.45 H new ATOM 0 HD12 LEU A 17 -15.553 5.701 -17.466 1.00 25.45 H new ATOM 0 HD13 LEU A 17 -15.280 4.637 -16.066 1.00 25.45 H new ATOM 0 HD21 LEU A 17 -17.479 2.574 -16.882 1.00 64.33 H new ATOM 0 HD22 LEU A 17 -17.330 3.189 -15.218 1.00 64.33 H new ATOM 0 HD23 LEU A 17 -18.870 3.358 -16.095 1.00 64.33 H new ATOM 273 N THR A 18 -19.800 6.599 -13.377 1.00 72.24 N ATOM 274 CA THR A 18 -20.152 7.440 -12.246 1.00 43.42 C ATOM 275 C THR A 18 -19.454 6.947 -10.977 1.00 61.32 C ATOM 276 O THR A 18 -18.956 5.823 -10.935 1.00 74.44 O ATOM 277 CB THR A 18 -21.677 7.464 -12.131 1.00 11.43 C ATOM 278 OG1 THR A 18 -22.066 6.118 -12.389 1.00 10.15 O ATOM 279 CG2 THR A 18 -22.337 8.265 -13.255 1.00 61.25 C ATOM 0 H THR A 18 -19.721 5.605 -13.161 1.00 72.24 H new ATOM 0 HA THR A 18 -19.807 8.464 -12.392 1.00 43.42 H new ATOM 0 HB THR A 18 -21.961 7.889 -11.168 1.00 11.43 H new ATOM 0 HG1 THR A 18 -23.011 6.095 -12.648 1.00 10.15 H new ATOM 0 HG21 THR A 18 -23.419 8.250 -13.126 1.00 61.25 H new ATOM 0 HG22 THR A 18 -21.982 9.295 -13.224 1.00 61.25 H new ATOM 0 HG23 THR A 18 -22.080 7.821 -14.217 1.00 61.25 H new ATOM 287 N LEU A 19 -19.440 7.812 -9.974 1.00 22.54 N ATOM 288 CA LEU A 19 -18.811 7.478 -8.707 1.00 33.42 C ATOM 289 C LEU A 19 -19.612 6.368 -8.022 1.00 12.42 C ATOM 290 O LEU A 19 -19.126 5.733 -7.087 1.00 51.52 O ATOM 291 CB LEU A 19 -18.638 8.732 -7.848 1.00 34.35 C ATOM 292 CG LEU A 19 -17.645 8.619 -6.689 1.00 50.32 C ATOM 293 CD1 LEU A 19 -16.317 8.026 -7.162 1.00 25.12 C ATOM 294 CD2 LEU A 19 -17.455 9.970 -5.997 1.00 12.43 C ATOM 0 H LEU A 19 -19.854 8.743 -10.013 1.00 22.54 H new ATOM 0 HA LEU A 19 -17.805 7.091 -8.871 1.00 33.42 H new ATOM 0 HB2 LEU A 19 -18.320 9.550 -8.494 1.00 34.35 H new ATOM 0 HB3 LEU A 19 -19.611 9.007 -7.441 1.00 34.35 H new ATOM 0 HG LEU A 19 -18.059 7.934 -5.949 1.00 50.32 H new ATOM 0 HD11 LEU A 19 -15.629 7.956 -6.319 1.00 25.12 H new ATOM 0 HD12 LEU A 19 -16.489 7.031 -7.573 1.00 25.12 H new ATOM 0 HD13 LEU A 19 -15.886 8.667 -7.931 1.00 25.12 H new ATOM 0 HD21 LEU A 19 -16.745 9.862 -5.177 1.00 12.43 H new ATOM 0 HD22 LEU A 19 -17.073 10.696 -6.715 1.00 12.43 H new ATOM 0 HD23 LEU A 19 -18.412 10.316 -5.605 1.00 12.43 H new ATOM 306 N VAL A 20 -20.826 6.169 -8.513 1.00 52.14 N ATOM 307 CA VAL A 20 -21.699 5.148 -7.960 1.00 72.44 C ATOM 308 C VAL A 20 -21.589 3.877 -8.805 1.00 63.40 C ATOM 309 O VAL A 20 -22.250 2.879 -8.521 1.00 51.13 O ATOM 310 CB VAL A 20 -23.131 5.679 -7.864 1.00 22.20 C ATOM 311 CG1 VAL A 20 -23.141 7.160 -7.482 1.00 53.31 C ATOM 312 CG2 VAL A 20 -23.892 5.444 -9.170 1.00 61.33 C ATOM 0 H VAL A 20 -21.226 6.698 -9.288 1.00 52.14 H new ATOM 0 HA VAL A 20 -21.392 4.892 -6.946 1.00 72.44 H new ATOM 0 HB VAL A 20 -23.642 5.126 -7.076 1.00 22.20 H new ATOM 0 HG11 VAL A 20 -24.170 7.513 -7.420 1.00 53.31 H new ATOM 0 HG12 VAL A 20 -22.655 7.290 -6.515 1.00 53.31 H new ATOM 0 HG13 VAL A 20 -22.605 7.734 -8.238 1.00 53.31 H new ATOM 0 HG21 VAL A 20 -24.907 5.831 -9.075 1.00 61.33 H new ATOM 0 HG22 VAL A 20 -23.383 5.958 -9.985 1.00 61.33 H new ATOM 0 HG23 VAL A 20 -23.929 4.375 -9.382 1.00 61.33 H new ATOM 322 N MET A 21 -20.748 3.954 -9.826 1.00 40.20 N ATOM 323 CA MET A 21 -20.542 2.822 -10.714 1.00 14.41 C ATOM 324 C MET A 21 -19.058 2.463 -10.809 1.00 33.41 C ATOM 325 O MET A 21 -18.668 1.635 -11.631 1.00 41.53 O ATOM 326 CB MET A 21 -21.076 3.163 -12.107 1.00 25.21 C ATOM 327 CG MET A 21 -22.605 3.147 -12.127 1.00 54.53 C ATOM 328 SD MET A 21 -23.190 2.769 -13.771 1.00 33.34 S ATOM 329 CE MET A 21 -22.054 3.749 -14.738 1.00 32.24 C ATOM 0 H MET A 21 -20.201 4.783 -10.058 1.00 40.20 H new ATOM 0 HA MET A 21 -21.078 1.964 -10.310 1.00 14.41 H new ATOM 0 HB2 MET A 21 -20.715 4.147 -12.408 1.00 25.21 H new ATOM 0 HB3 MET A 21 -20.692 2.447 -12.833 1.00 25.21 H new ATOM 0 HG2 MET A 21 -22.978 2.406 -11.420 1.00 54.53 H new ATOM 0 HG3 MET A 21 -22.991 4.115 -11.808 1.00 54.53 H new ATOM 0 HE1 MET A 21 -22.222 3.560 -15.798 1.00 32.24 H new ATOM 0 HE2 MET A 21 -22.216 4.806 -14.528 1.00 32.24 H new ATOM 0 HE3 MET A 21 -21.030 3.480 -14.479 1.00 32.24 H new ATOM 339 N MET A 22 -18.271 3.102 -9.956 1.00 35.43 N ATOM 340 CA MET A 22 -16.839 2.859 -9.933 1.00 41.21 C ATOM 341 C MET A 22 -16.313 2.812 -8.497 1.00 34.21 C ATOM 342 O MET A 22 -16.922 3.378 -7.590 1.00 75.53 O ATOM 343 CB MET A 22 -16.121 3.969 -10.703 1.00 50.32 C ATOM 344 CG MET A 22 -16.332 3.815 -12.211 1.00 1.41 C ATOM 345 SD MET A 22 -15.272 4.947 -13.094 1.00 44.43 S ATOM 346 CE MET A 22 -16.014 6.500 -12.621 1.00 42.44 C ATOM 0 H MET A 22 -18.598 3.788 -9.276 1.00 35.43 H new ATOM 0 HA MET A 22 -16.646 1.894 -10.402 1.00 41.21 H new ATOM 0 HB2 MET A 22 -16.492 4.941 -10.378 1.00 50.32 H new ATOM 0 HB3 MET A 22 -15.055 3.943 -10.477 1.00 50.32 H new ATOM 0 HG2 MET A 22 -16.116 2.790 -12.514 1.00 1.41 H new ATOM 0 HG3 MET A 22 -17.375 4.009 -12.462 1.00 1.41 H new ATOM 0 HE1 MET A 22 -16.050 7.164 -13.485 1.00 42.44 H new ATOM 0 HE2 MET A 22 -17.026 6.324 -12.256 1.00 42.44 H new ATOM 0 HE3 MET A 22 -15.419 6.962 -11.833 1.00 42.44 H new ATOM 356 N THR A 23 -15.188 2.132 -8.335 1.00 31.44 N ATOM 357 CA THR A 23 -14.574 2.003 -7.024 1.00 62.12 C ATOM 358 C THR A 23 -13.109 1.582 -7.161 1.00 11.32 C ATOM 359 O THR A 23 -12.535 1.662 -8.246 1.00 13.11 O ATOM 360 CB THR A 23 -15.413 1.023 -6.203 1.00 33.34 C ATOM 361 OG1 THR A 23 -14.800 1.034 -4.916 1.00 72.33 O ATOM 362 CG2 THR A 23 -15.257 -0.423 -6.677 1.00 61.45 C ATOM 0 H THR A 23 -14.685 1.664 -9.089 1.00 31.44 H new ATOM 0 HA THR A 23 -14.558 2.958 -6.499 1.00 62.12 H new ATOM 0 HB THR A 23 -16.463 1.311 -6.257 1.00 33.34 H new ATOM 0 HG1 THR A 23 -14.610 1.958 -4.652 1.00 72.33 H new ATOM 0 HG21 THR A 23 -15.874 -1.077 -6.060 1.00 61.45 H new ATOM 0 HG22 THR A 23 -15.573 -0.501 -7.717 1.00 61.45 H new ATOM 0 HG23 THR A 23 -14.213 -0.723 -6.592 1.00 61.45 H new ATOM 370 N THR A 24 -12.546 1.144 -6.045 1.00 32.54 N ATOM 371 CA THR A 24 -11.159 0.710 -6.026 1.00 54.21 C ATOM 372 C THR A 24 -11.044 -0.683 -5.404 1.00 53.13 C ATOM 373 O THR A 24 -11.862 -1.062 -4.567 1.00 64.51 O ATOM 374 CB THR A 24 -10.342 1.773 -5.290 1.00 44.53 C ATOM 375 OG1 THR A 24 -10.707 1.608 -3.923 1.00 21.31 O ATOM 376 CG2 THR A 24 -10.793 3.196 -5.627 1.00 12.23 C ATOM 0 H THR A 24 -13.025 1.080 -5.147 1.00 32.54 H new ATOM 0 HA THR A 24 -10.761 0.614 -7.036 1.00 54.21 H new ATOM 0 HB THR A 24 -9.288 1.657 -5.541 1.00 44.53 H new ATOM 0 HG1 THR A 24 -10.112 0.952 -3.503 1.00 21.31 H new ATOM 0 HG21 THR A 24 -10.181 3.911 -5.078 1.00 12.23 H new ATOM 0 HG22 THR A 24 -10.682 3.369 -6.697 1.00 12.23 H new ATOM 0 HG23 THR A 24 -11.838 3.323 -5.346 1.00 12.23 H new ATOM 384 N ARG A 25 -10.023 -1.407 -5.838 1.00 1.11 N ATOM 385 CA ARG A 25 -9.790 -2.750 -5.334 1.00 52.13 C ATOM 386 C ARG A 25 -8.546 -3.354 -5.988 1.00 41.14 C ATOM 387 O ARG A 25 -8.358 -3.238 -7.199 1.00 34.44 O ATOM 388 CB ARG A 25 -10.992 -3.656 -5.607 1.00 72.31 C ATOM 389 CG ARG A 25 -11.242 -4.604 -4.432 1.00 13.30 C ATOM 390 CD ARG A 25 -10.595 -5.968 -4.680 1.00 2.40 C ATOM 391 NE ARG A 25 -11.282 -7.007 -3.881 1.00 50.13 N ATOM 392 CZ ARG A 25 -10.706 -8.162 -3.486 1.00 61.12 C ATOM 393 NH1 ARG A 25 -9.425 -8.436 -3.813 1.00 51.13 N ATOM 394 NH2 ARG A 25 -11.414 -9.020 -2.775 1.00 42.13 N ATOM 0 H ARG A 25 -9.348 -1.089 -6.533 1.00 1.11 H new ATOM 0 HA ARG A 25 -9.640 -2.679 -4.257 1.00 52.13 H new ATOM 0 HB2 ARG A 25 -11.879 -3.047 -5.782 1.00 72.31 H new ATOM 0 HB3 ARG A 25 -10.818 -4.234 -6.515 1.00 72.31 H new ATOM 0 HG2 ARG A 25 -10.841 -4.168 -3.517 1.00 13.30 H new ATOM 0 HG3 ARG A 25 -12.314 -4.728 -4.282 1.00 13.30 H new ATOM 0 HD2 ARG A 25 -10.649 -6.218 -5.740 1.00 2.40 H new ATOM 0 HD3 ARG A 25 -9.539 -5.932 -4.414 1.00 2.40 H new ATOM 0 HE ARG A 25 -12.252 -6.840 -3.612 1.00 50.13 H new ATOM 0 HH11 ARG A 25 -8.885 -7.768 -4.363 1.00 51.13 H new ATOM 0 HH12 ARG A 25 -8.997 -9.311 -3.510 1.00 51.13 H new ATOM 0 HH21 ARG A 25 -12.381 -8.805 -2.532 1.00 42.13 H new ATOM 0 HH22 ARG A 25 -10.994 -9.897 -2.469 1.00 42.13 H new ATOM 407 N VAL A 26 -7.728 -3.985 -5.159 1.00 43.11 N ATOM 408 CA VAL A 26 -6.507 -4.607 -5.642 1.00 24.33 C ATOM 409 C VAL A 26 -6.862 -5.843 -6.471 1.00 13.20 C ATOM 410 O VAL A 26 -7.039 -6.931 -5.926 1.00 30.14 O ATOM 411 CB VAL A 26 -5.580 -4.923 -4.466 1.00 11.02 C ATOM 412 CG1 VAL A 26 -4.190 -5.330 -4.957 1.00 64.13 C ATOM 413 CG2 VAL A 26 -5.496 -3.739 -3.501 1.00 3.50 C ATOM 0 H VAL A 26 -7.887 -4.079 -4.156 1.00 43.11 H new ATOM 0 HA VAL A 26 -5.963 -3.923 -6.294 1.00 24.33 H new ATOM 0 HB VAL A 26 -6.004 -5.768 -3.923 1.00 11.02 H new ATOM 0 HG11 VAL A 26 -3.551 -5.549 -4.101 1.00 64.13 H new ATOM 0 HG12 VAL A 26 -4.271 -6.217 -5.585 1.00 64.13 H new ATOM 0 HG13 VAL A 26 -3.755 -4.515 -5.535 1.00 64.13 H new ATOM 0 HG21 VAL A 26 -4.831 -3.990 -2.674 1.00 3.50 H new ATOM 0 HG22 VAL A 26 -5.108 -2.867 -4.028 1.00 3.50 H new ATOM 0 HG23 VAL A 26 -6.489 -3.515 -3.112 1.00 3.50 H new ATOM 423 N VAL A 27 -6.957 -5.633 -7.776 1.00 23.22 N ATOM 424 CA VAL A 27 -7.288 -6.717 -8.686 1.00 12.53 C ATOM 425 C VAL A 27 -6.091 -6.996 -9.596 1.00 62.42 C ATOM 426 O VAL A 27 -5.174 -6.182 -9.690 1.00 1.21 O ATOM 427 CB VAL A 27 -8.563 -6.377 -9.461 1.00 45.04 C ATOM 428 CG1 VAL A 27 -9.694 -5.982 -8.511 1.00 33.34 C ATOM 429 CG2 VAL A 27 -8.301 -5.275 -10.490 1.00 50.11 C ATOM 0 H VAL A 27 -6.811 -4.729 -8.225 1.00 23.22 H new ATOM 0 HA VAL A 27 -7.495 -7.633 -8.132 1.00 12.53 H new ATOM 0 HB VAL A 27 -8.876 -7.271 -10.000 1.00 45.04 H new ATOM 0 HG11 VAL A 27 -10.588 -5.745 -9.088 1.00 33.34 H new ATOM 0 HG12 VAL A 27 -9.907 -6.810 -7.835 1.00 33.34 H new ATOM 0 HG13 VAL A 27 -9.394 -5.109 -7.932 1.00 33.34 H new ATOM 0 HG21 VAL A 27 -9.223 -5.052 -11.027 1.00 50.11 H new ATOM 0 HG22 VAL A 27 -7.952 -4.377 -9.980 1.00 50.11 H new ATOM 0 HG23 VAL A 27 -7.541 -5.610 -11.196 1.00 50.11 H new ATOM 439 N SER A 28 -6.138 -8.151 -10.244 1.00 61.11 N ATOM 440 CA SER A 28 -5.068 -8.549 -11.144 1.00 14.51 C ATOM 441 C SER A 28 -5.655 -9.189 -12.404 1.00 12.44 C ATOM 442 O SER A 28 -6.507 -10.071 -12.317 1.00 32.44 O ATOM 443 CB SER A 28 -4.102 -9.516 -10.458 1.00 34.25 C ATOM 444 OG SER A 28 -2.830 -9.544 -11.098 1.00 23.00 O ATOM 0 H SER A 28 -6.900 -8.824 -10.164 1.00 61.11 H new ATOM 0 HA SER A 28 -4.508 -7.657 -11.424 1.00 14.51 H new ATOM 0 HB2 SER A 28 -3.977 -9.224 -9.415 1.00 34.25 H new ATOM 0 HB3 SER A 28 -4.531 -10.518 -10.459 1.00 34.25 H new ATOM 0 HG SER A 28 -2.242 -10.172 -10.629 1.00 23.00 H new ATOM 450 N PRO A 29 -5.163 -8.706 -13.576 1.00 70.10 N ATOM 451 CA PRO A 29 -4.155 -7.660 -13.590 1.00 51.44 C ATOM 452 C PRO A 29 -4.770 -6.301 -13.249 1.00 55.14 C ATOM 453 O PRO A 29 -5.987 -6.132 -13.318 1.00 1.45 O ATOM 454 CB PRO A 29 -3.558 -7.708 -14.987 1.00 51.53 C ATOM 455 CG PRO A 29 -4.564 -8.458 -15.845 1.00 40.00 C ATOM 456 CD PRO A 29 -5.552 -9.142 -14.914 1.00 64.21 C ATOM 0 HA PRO A 29 -3.383 -7.810 -12.836 1.00 51.44 H new ATOM 0 HB2 PRO A 29 -3.387 -6.703 -15.373 1.00 51.53 H new ATOM 0 HB3 PRO A 29 -2.593 -8.216 -14.982 1.00 51.53 H new ATOM 0 HG2 PRO A 29 -5.082 -7.771 -16.514 1.00 40.00 H new ATOM 0 HG3 PRO A 29 -4.059 -9.193 -16.472 1.00 40.00 H new ATOM 0 HD2 PRO A 29 -6.578 -8.852 -15.143 1.00 64.21 H new ATOM 0 HD3 PRO A 29 -5.499 -10.227 -15.008 1.00 64.21 H new ATOM 464 N THR A 30 -3.902 -5.367 -12.890 1.00 21.32 N ATOM 465 CA THR A 30 -4.345 -4.029 -12.538 1.00 44.32 C ATOM 466 C THR A 30 -4.734 -3.248 -13.795 1.00 65.33 C ATOM 467 O THR A 30 -4.216 -3.512 -14.879 1.00 63.33 O ATOM 468 CB THR A 30 -3.232 -3.360 -11.728 1.00 31.40 C ATOM 469 OG1 THR A 30 -2.031 -3.834 -12.331 1.00 10.11 O ATOM 470 CG2 THR A 30 -3.159 -3.883 -10.292 1.00 11.23 C ATOM 0 H THR A 30 -2.894 -5.510 -12.835 1.00 21.32 H new ATOM 0 HA THR A 30 -5.243 -4.060 -11.921 1.00 44.32 H new ATOM 0 HB THR A 30 -3.390 -2.282 -11.715 1.00 31.40 H new ATOM 0 HG1 THR A 30 -1.258 -3.448 -11.868 1.00 10.11 H new ATOM 0 HG21 THR A 30 -2.353 -3.376 -9.761 1.00 11.23 H new ATOM 0 HG22 THR A 30 -4.105 -3.690 -9.786 1.00 11.23 H new ATOM 0 HG23 THR A 30 -2.967 -4.956 -10.305 1.00 11.23 H new ATOM 478 N GLY A 31 -5.642 -2.303 -13.608 1.00 54.44 N ATOM 479 CA GLY A 31 -6.107 -1.482 -14.714 1.00 2.11 C ATOM 480 C GLY A 31 -6.008 0.006 -14.372 1.00 4.14 C ATOM 481 O GLY A 31 -5.061 0.433 -13.712 1.00 50.34 O ATOM 0 H GLY A 31 -6.069 -2.087 -12.707 1.00 54.44 H new ATOM 0 HA2 GLY A 31 -5.514 -1.695 -15.604 1.00 2.11 H new ATOM 0 HA3 GLY A 31 -7.140 -1.736 -14.951 1.00 2.11 H new ATOM 485 N ILE A 32 -6.998 0.754 -14.835 1.00 42.50 N ATOM 486 CA ILE A 32 -7.034 2.186 -14.586 1.00 61.43 C ATOM 487 C ILE A 32 -6.730 2.450 -13.110 1.00 54.12 C ATOM 488 O ILE A 32 -7.173 1.704 -12.238 1.00 64.44 O ATOM 489 CB ILE A 32 -8.364 2.778 -15.056 1.00 71.34 C ATOM 490 CG1 ILE A 32 -8.498 2.686 -16.578 1.00 30.22 C ATOM 491 CG2 ILE A 32 -8.535 4.212 -14.552 1.00 24.05 C ATOM 492 CD1 ILE A 32 -9.969 2.658 -16.998 1.00 21.10 C ATOM 0 H ILE A 32 -7.782 0.396 -15.381 1.00 42.50 H new ATOM 0 HA ILE A 32 -6.263 2.694 -15.166 1.00 61.43 H new ATOM 0 HB ILE A 32 -9.172 2.187 -14.625 1.00 71.34 H new ATOM 0 HG12 ILE A 32 -8.000 3.537 -17.043 1.00 30.22 H new ATOM 0 HG13 ILE A 32 -7.996 1.787 -16.937 1.00 30.22 H new ATOM 0 HG21 ILE A 32 -9.489 4.609 -14.900 1.00 24.05 H new ATOM 0 HG22 ILE A 32 -8.515 4.219 -13.462 1.00 24.05 H new ATOM 0 HG23 ILE A 32 -7.723 4.831 -14.934 1.00 24.05 H new ATOM 0 HD11 ILE A 32 -10.036 2.592 -18.084 1.00 21.10 H new ATOM 0 HD12 ILE A 32 -10.459 1.793 -16.551 1.00 21.10 H new ATOM 0 HD13 ILE A 32 -10.462 3.569 -16.658 1.00 21.10 H new ATOM 504 N PRO A 33 -5.958 3.543 -12.869 1.00 51.31 N ATOM 505 CA PRO A 33 -5.590 3.916 -11.514 1.00 33.43 C ATOM 506 C PRO A 33 -6.774 4.547 -10.778 1.00 71.11 C ATOM 507 O PRO A 33 -7.578 5.256 -11.382 1.00 32.54 O ATOM 508 CB PRO A 33 -4.414 4.866 -11.672 1.00 34.50 C ATOM 509 CG PRO A 33 -4.463 5.353 -13.111 1.00 11.01 C ATOM 510 CD PRO A 33 -5.417 4.450 -13.877 1.00 5.42 C ATOM 0 HA PRO A 33 -5.311 3.058 -10.903 1.00 33.43 H new ATOM 0 HB2 PRO A 33 -4.489 5.700 -10.974 1.00 34.50 H new ATOM 0 HB3 PRO A 33 -3.472 4.360 -11.463 1.00 34.50 H new ATOM 0 HG2 PRO A 33 -4.802 6.388 -13.152 1.00 11.01 H new ATOM 0 HG3 PRO A 33 -3.469 5.325 -13.558 1.00 11.01 H new ATOM 0 HD2 PRO A 33 -6.208 5.026 -14.357 1.00 5.42 H new ATOM 0 HD3 PRO A 33 -4.898 3.903 -14.664 1.00 5.42 H new ATOM 518 N ALA A 34 -6.843 4.267 -9.485 1.00 35.11 N ATOM 519 CA ALA A 34 -7.915 4.799 -8.661 1.00 34.45 C ATOM 520 C ALA A 34 -7.856 6.327 -8.678 1.00 53.33 C ATOM 521 O ALA A 34 -8.835 6.994 -8.345 1.00 60.23 O ATOM 522 CB ALA A 34 -7.803 4.227 -7.246 1.00 1.23 C ATOM 0 H ALA A 34 -6.174 3.679 -8.988 1.00 35.11 H new ATOM 0 HA ALA A 34 -8.886 4.503 -9.057 1.00 34.45 H new ATOM 0 HB1 ALA A 34 -8.607 4.626 -6.628 1.00 1.23 H new ATOM 0 HB2 ALA A 34 -7.881 3.140 -7.286 1.00 1.23 H new ATOM 0 HB3 ALA A 34 -6.841 4.507 -6.816 1.00 1.23 H new ATOM 528 N GLU A 35 -6.699 6.838 -9.070 1.00 44.45 N ATOM 529 CA GLU A 35 -6.499 8.276 -9.136 1.00 50.21 C ATOM 530 C GLU A 35 -7.217 8.857 -10.356 1.00 62.53 C ATOM 531 O GLU A 35 -7.210 10.068 -10.567 1.00 3.42 O ATOM 532 CB GLU A 35 -5.009 8.622 -9.161 1.00 1.35 C ATOM 533 CG GLU A 35 -4.237 7.796 -8.130 1.00 11.24 C ATOM 534 CD GLU A 35 -3.139 8.632 -7.468 1.00 73.22 C ATOM 535 OE1 GLU A 35 -2.350 9.284 -8.168 1.00 13.22 O ATOM 536 OE2 GLU A 35 -3.124 8.589 -6.179 1.00 24.10 O ATOM 0 H GLU A 35 -5.889 6.282 -9.345 1.00 44.45 H new ATOM 0 HA GLU A 35 -6.928 8.724 -8.239 1.00 50.21 H new ATOM 0 HB2 GLU A 35 -4.606 8.437 -10.157 1.00 1.35 H new ATOM 0 HB3 GLU A 35 -4.875 9.684 -8.955 1.00 1.35 H new ATOM 0 HG2 GLU A 35 -4.923 7.423 -7.370 1.00 11.24 H new ATOM 0 HG3 GLU A 35 -3.794 6.925 -8.614 1.00 11.24 H new ATOM 544 N ASP A 36 -7.819 7.964 -11.129 1.00 12.25 N ATOM 545 CA ASP A 36 -8.540 8.373 -12.322 1.00 70.32 C ATOM 546 C ASP A 36 -10.043 8.211 -12.086 1.00 21.34 C ATOM 547 O ASP A 36 -10.844 8.416 -12.996 1.00 50.11 O ATOM 548 CB ASP A 36 -8.154 7.506 -13.522 1.00 73.33 C ATOM 549 CG ASP A 36 -6.692 7.619 -13.958 1.00 70.52 C ATOM 550 OD1 ASP A 36 -6.300 7.108 -15.018 1.00 54.02 O ATOM 551 OD2 ASP A 36 -5.930 8.272 -13.148 1.00 14.04 O ATOM 0 H ASP A 36 -7.822 6.959 -10.952 1.00 12.25 H new ATOM 0 HA ASP A 36 -8.285 9.412 -12.530 1.00 70.32 H new ATOM 0 HB2 ASP A 36 -8.366 6.464 -13.282 1.00 73.33 H new ATOM 0 HB3 ASP A 36 -8.791 7.775 -14.365 1.00 73.33 H new ATOM 557 N ILE A 37 -10.380 7.844 -10.858 1.00 31.21 N ATOM 558 CA ILE A 37 -11.773 7.652 -10.490 1.00 64.00 C ATOM 559 C ILE A 37 -12.584 8.874 -10.925 1.00 43.22 C ATOM 560 O ILE A 37 -13.630 8.736 -11.557 1.00 11.53 O ATOM 561 CB ILE A 37 -11.894 7.333 -8.999 1.00 23.24 C ATOM 562 CG1 ILE A 37 -11.945 5.822 -8.764 1.00 35.33 C ATOM 563 CG2 ILE A 37 -13.095 8.050 -8.380 1.00 51.51 C ATOM 564 CD1 ILE A 37 -12.607 5.498 -7.423 1.00 23.34 C ATOM 0 H ILE A 37 -9.713 7.675 -10.105 1.00 31.21 H new ATOM 0 HA ILE A 37 -12.189 6.790 -11.012 1.00 64.00 H new ATOM 0 HB ILE A 37 -11.002 7.707 -8.497 1.00 23.24 H new ATOM 0 HG12 ILE A 37 -12.498 5.343 -9.572 1.00 35.33 H new ATOM 0 HG13 ILE A 37 -10.935 5.413 -8.783 1.00 35.33 H new ATOM 0 HG21 ILE A 37 -13.158 7.806 -7.320 1.00 51.51 H new ATOM 0 HG22 ILE A 37 -12.976 9.127 -8.498 1.00 51.51 H new ATOM 0 HG23 ILE A 37 -14.008 7.729 -8.881 1.00 51.51 H new ATOM 0 HD11 ILE A 37 -12.631 4.418 -7.281 1.00 23.34 H new ATOM 0 HD12 ILE A 37 -12.038 5.958 -6.616 1.00 23.34 H new ATOM 0 HD13 ILE A 37 -13.625 5.887 -7.416 1.00 23.34 H new ATOM 576 N PRO A 38 -12.056 10.073 -10.561 1.00 11.53 N ATOM 577 CA PRO A 38 -12.719 11.319 -10.907 1.00 15.15 C ATOM 578 C PRO A 38 -12.531 11.648 -12.389 1.00 21.50 C ATOM 579 O PRO A 38 -13.165 12.563 -12.911 1.00 44.40 O ATOM 580 CB PRO A 38 -12.106 12.360 -9.985 1.00 14.53 C ATOM 581 CG PRO A 38 -10.803 11.759 -9.485 1.00 31.14 C ATOM 582 CD PRO A 38 -10.819 10.275 -9.812 1.00 63.24 C ATOM 0 HA PRO A 38 -13.799 11.272 -10.771 1.00 15.15 H new ATOM 0 HB2 PRO A 38 -11.926 13.295 -10.516 1.00 14.53 H new ATOM 0 HB3 PRO A 38 -12.774 12.588 -9.155 1.00 14.53 H new ATOM 0 HG2 PRO A 38 -9.951 12.245 -9.960 1.00 31.14 H new ATOM 0 HG3 PRO A 38 -10.699 11.912 -8.411 1.00 31.14 H new ATOM 0 HD2 PRO A 38 -9.948 9.990 -10.402 1.00 63.24 H new ATOM 0 HD3 PRO A 38 -10.802 9.670 -8.906 1.00 63.24 H new ATOM 590 N ARG A 39 -11.657 10.882 -13.025 1.00 63.23 N ATOM 591 CA ARG A 39 -11.377 11.080 -14.437 1.00 61.23 C ATOM 592 C ARG A 39 -12.353 10.267 -15.291 1.00 3.41 C ATOM 593 O ARG A 39 -12.792 10.726 -16.344 1.00 41.03 O ATOM 594 CB ARG A 39 -9.944 10.665 -14.778 1.00 72.13 C ATOM 595 CG ARG A 39 -8.930 11.588 -14.100 1.00 41.22 C ATOM 596 CD ARG A 39 -7.609 11.613 -14.872 1.00 71.31 C ATOM 597 NE ARG A 39 -7.326 10.273 -15.433 1.00 61.21 N ATOM 598 CZ ARG A 39 -6.440 10.039 -16.425 1.00 12.22 C ATOM 599 NH1 ARG A 39 -5.743 11.056 -16.974 1.00 42.22 N ATOM 600 NH2 ARG A 39 -6.266 8.801 -16.849 1.00 54.54 N ATOM 0 H ARG A 39 -11.133 10.123 -12.589 1.00 63.23 H new ATOM 0 HA ARG A 39 -11.497 12.142 -14.653 1.00 61.23 H new ATOM 0 HB2 ARG A 39 -9.774 9.636 -14.460 1.00 72.13 H new ATOM 0 HB3 ARG A 39 -9.801 10.693 -15.858 1.00 72.13 H new ATOM 0 HG2 ARG A 39 -9.337 12.597 -14.036 1.00 41.22 H new ATOM 0 HG3 ARG A 39 -8.752 11.251 -13.079 1.00 41.22 H new ATOM 0 HD2 ARG A 39 -7.661 12.349 -15.674 1.00 71.31 H new ATOM 0 HD3 ARG A 39 -6.798 11.919 -14.211 1.00 71.31 H new ATOM 0 HE ARG A 39 -7.832 9.476 -15.046 1.00 61.21 H new ATOM 0 HH11 ARG A 39 -5.884 12.009 -16.640 1.00 42.22 H new ATOM 0 HH12 ARG A 39 -5.076 10.871 -17.723 1.00 42.22 H new ATOM 0 HH21 ARG A 39 -6.797 8.038 -16.428 1.00 54.54 H new ATOM 0 HH22 ARG A 39 -5.601 8.607 -17.597 1.00 54.54 H new ATOM 613 N LEU A 40 -12.663 9.075 -14.804 1.00 73.24 N ATOM 614 CA LEU A 40 -13.579 8.194 -15.510 1.00 10.24 C ATOM 615 C LEU A 40 -15.005 8.730 -15.368 1.00 33.51 C ATOM 616 O LEU A 40 -15.857 8.468 -16.216 1.00 13.32 O ATOM 617 CB LEU A 40 -13.413 6.752 -15.028 1.00 21.42 C ATOM 618 CG LEU A 40 -12.161 6.021 -15.518 1.00 32.31 C ATOM 619 CD1 LEU A 40 -12.113 5.981 -17.047 1.00 2.05 C ATOM 620 CD2 LEU A 40 -10.896 6.639 -14.920 1.00 41.02 C ATOM 0 H LEU A 40 -12.297 8.698 -13.930 1.00 73.24 H new ATOM 0 HA LEU A 40 -13.348 8.178 -16.575 1.00 10.24 H new ATOM 0 HB2 LEU A 40 -13.406 6.753 -13.938 1.00 21.42 H new ATOM 0 HB3 LEU A 40 -14.288 6.182 -15.341 1.00 21.42 H new ATOM 0 HG LEU A 40 -12.210 4.989 -15.171 1.00 32.31 H new ATOM 0 HD11 LEU A 40 -11.214 5.456 -17.369 1.00 2.05 H new ATOM 0 HD12 LEU A 40 -12.992 5.460 -17.425 1.00 2.05 H new ATOM 0 HD13 LEU A 40 -12.099 6.999 -17.437 1.00 2.05 H new ATOM 0 HD21 LEU A 40 -10.021 6.101 -15.284 1.00 41.02 H new ATOM 0 HD22 LEU A 40 -10.828 7.686 -15.216 1.00 41.02 H new ATOM 0 HD23 LEU A 40 -10.937 6.571 -13.833 1.00 41.02 H new ATOM 632 N ILE A 41 -15.221 9.469 -14.290 1.00 33.21 N ATOM 633 CA ILE A 41 -16.530 10.043 -14.026 1.00 43.22 C ATOM 634 C ILE A 41 -16.953 10.905 -15.217 1.00 71.14 C ATOM 635 O ILE A 41 -16.184 11.742 -15.687 1.00 41.01 O ATOM 636 CB ILE A 41 -16.526 10.795 -12.694 1.00 11.13 C ATOM 637 CG1 ILE A 41 -16.215 9.850 -11.532 1.00 20.25 C ATOM 638 CG2 ILE A 41 -17.842 11.547 -12.485 1.00 34.43 C ATOM 639 CD1 ILE A 41 -17.480 9.528 -10.733 1.00 62.20 C ATOM 0 H ILE A 41 -14.512 9.684 -13.589 1.00 33.21 H new ATOM 0 HA ILE A 41 -17.277 9.256 -13.920 1.00 43.22 H new ATOM 0 HB ILE A 41 -15.731 11.540 -12.725 1.00 11.13 H new ATOM 0 HG12 ILE A 41 -15.778 8.928 -11.915 1.00 20.25 H new ATOM 0 HG13 ILE A 41 -15.473 10.306 -10.877 1.00 20.25 H new ATOM 0 HG21 ILE A 41 -17.813 12.073 -11.531 1.00 34.43 H new ATOM 0 HG22 ILE A 41 -17.982 12.266 -13.292 1.00 34.43 H new ATOM 0 HG23 ILE A 41 -18.670 10.838 -12.483 1.00 34.43 H new ATOM 0 HD11 ILE A 41 -17.231 8.855 -9.913 1.00 62.20 H new ATOM 0 HD12 ILE A 41 -17.901 10.450 -10.331 1.00 62.20 H new ATOM 0 HD13 ILE A 41 -18.211 9.050 -11.386 1.00 62.20 H new ATOM 651 N SER A 42 -18.175 10.670 -15.672 1.00 12.20 N ATOM 652 CA SER A 42 -18.710 11.415 -16.799 1.00 72.45 C ATOM 653 C SER A 42 -18.308 10.738 -18.111 1.00 62.14 C ATOM 654 O SER A 42 -18.865 11.039 -19.166 1.00 3.51 O ATOM 655 CB SER A 42 -18.226 12.866 -16.781 1.00 34.13 C ATOM 656 OG SER A 42 -18.223 13.411 -15.464 1.00 33.52 O ATOM 0 H SER A 42 -18.810 9.974 -15.281 1.00 12.20 H new ATOM 0 HA SER A 42 -19.797 11.423 -16.719 1.00 72.45 H new ATOM 0 HB2 SER A 42 -17.220 12.918 -17.197 1.00 34.13 H new ATOM 0 HB3 SER A 42 -18.868 13.470 -17.422 1.00 34.13 H new ATOM 0 HG SER A 42 -17.321 13.349 -15.086 1.00 33.52 H new ATOM 662 N MET A 43 -17.344 9.836 -18.003 1.00 64.33 N ATOM 663 CA MET A 43 -16.860 9.114 -19.168 1.00 31.31 C ATOM 664 C MET A 43 -17.506 7.730 -19.262 1.00 52.05 C ATOM 665 O MET A 43 -17.463 6.954 -18.309 1.00 2.32 O ATOM 666 CB MET A 43 -15.340 8.963 -19.081 1.00 31.25 C ATOM 667 CG MET A 43 -14.703 10.194 -18.433 1.00 33.15 C ATOM 668 SD MET A 43 -13.107 10.512 -19.164 1.00 64.23 S ATOM 669 CE MET A 43 -12.590 8.840 -19.518 1.00 44.44 C ATOM 0 H MET A 43 -16.885 9.588 -17.127 1.00 64.33 H new ATOM 0 HA MET A 43 -17.127 9.681 -20.060 1.00 31.31 H new ATOM 0 HB2 MET A 43 -15.092 8.073 -18.502 1.00 31.25 H new ATOM 0 HB3 MET A 43 -14.928 8.819 -20.080 1.00 31.25 H new ATOM 0 HG2 MET A 43 -15.351 11.060 -18.564 1.00 33.15 H new ATOM 0 HG3 MET A 43 -14.596 10.036 -17.360 1.00 33.15 H new ATOM 0 HE1 MET A 43 -11.537 8.722 -19.260 1.00 44.44 H new ATOM 0 HE2 MET A 43 -13.188 8.142 -18.931 1.00 44.44 H new ATOM 0 HE3 MET A 43 -12.729 8.633 -20.579 1.00 44.44 H new ATOM 679 N GLN A 44 -18.090 7.463 -20.421 1.00 74.22 N ATOM 680 CA GLN A 44 -18.745 6.186 -20.653 1.00 4.23 C ATOM 681 C GLN A 44 -17.704 5.100 -20.934 1.00 34.01 C ATOM 682 O GLN A 44 -16.505 5.371 -20.938 1.00 24.30 O ATOM 683 CB GLN A 44 -19.755 6.287 -21.797 1.00 41.32 C ATOM 684 CG GLN A 44 -20.683 7.488 -21.605 1.00 13.14 C ATOM 685 CD GLN A 44 -21.042 8.125 -22.949 1.00 5.33 C ATOM 686 OE1 GLN A 44 -20.856 9.310 -23.172 1.00 45.24 O ATOM 687 NE2 GLN A 44 -21.564 7.275 -23.828 1.00 53.51 N ATOM 0 H GLN A 44 -18.123 8.109 -21.210 1.00 74.22 H new ATOM 0 HA GLN A 44 -19.294 5.912 -19.752 1.00 4.23 H new ATOM 0 HB2 GLN A 44 -19.227 6.379 -22.746 1.00 41.32 H new ATOM 0 HB3 GLN A 44 -20.345 5.372 -21.848 1.00 41.32 H new ATOM 0 HG2 GLN A 44 -21.592 7.171 -21.094 1.00 13.14 H new ATOM 0 HG3 GLN A 44 -20.200 8.227 -20.966 1.00 13.14 H new ATOM 0 HE21 GLN A 44 -21.692 6.295 -23.576 1.00 53.51 H new ATOM 0 HE22 GLN A 44 -21.836 7.603 -24.755 1.00 53.51 H new ATOM 696 N VAL A 45 -18.202 3.894 -21.162 1.00 73.43 N ATOM 697 CA VAL A 45 -17.331 2.765 -21.444 1.00 1.42 C ATOM 698 C VAL A 45 -17.511 2.339 -22.902 1.00 42.12 C ATOM 699 O VAL A 45 -18.569 2.556 -23.490 1.00 33.10 O ATOM 700 CB VAL A 45 -17.604 1.633 -20.452 1.00 31.11 C ATOM 701 CG1 VAL A 45 -17.095 1.993 -19.055 1.00 24.11 C ATOM 702 CG2 VAL A 45 -19.093 1.280 -20.419 1.00 4.32 C ATOM 0 H VAL A 45 -19.198 3.673 -21.157 1.00 73.43 H new ATOM 0 HA VAL A 45 -16.286 3.047 -21.315 1.00 1.42 H new ATOM 0 HB VAL A 45 -17.058 0.752 -20.791 1.00 31.11 H new ATOM 0 HG11 VAL A 45 -17.302 1.171 -18.369 1.00 24.11 H new ATOM 0 HG12 VAL A 45 -16.020 2.171 -19.094 1.00 24.11 H new ATOM 0 HG13 VAL A 45 -17.600 2.893 -18.705 1.00 24.11 H new ATOM 0 HG21 VAL A 45 -19.260 0.473 -19.706 1.00 4.32 H new ATOM 0 HG22 VAL A 45 -19.668 2.155 -20.117 1.00 4.32 H new ATOM 0 HG23 VAL A 45 -19.413 0.960 -21.411 1.00 4.32 H new ATOM 712 N ASN A 46 -16.460 1.740 -23.444 1.00 54.31 N ATOM 713 CA ASN A 46 -16.489 1.282 -24.823 1.00 31.34 C ATOM 714 C ASN A 46 -16.686 -0.235 -24.847 1.00 34.33 C ATOM 715 O ASN A 46 -16.200 -0.914 -25.750 1.00 53.23 O ATOM 716 CB ASN A 46 -15.173 1.599 -25.536 1.00 33.31 C ATOM 717 CG ASN A 46 -13.990 0.942 -24.822 1.00 13.24 C ATOM 718 OD1 ASN A 46 -13.156 1.806 -24.250 1.00 53.34 O flip ATOM 719 ND2 ASN A 46 -13.844 -0.269 -24.791 1.00 13.20 N flip ATOM 0 H ASN A 46 -15.584 1.561 -22.953 1.00 54.31 H new ATOM 0 HA ASN A 46 -17.307 1.793 -25.331 1.00 31.34 H new ATOM 0 HB2 ASN A 46 -15.220 1.248 -26.567 1.00 33.31 H new ATOM 0 HB3 ASN A 46 -15.026 2.678 -25.573 1.00 33.31 H new ATOM 0 HD21 ASN A 46 -14.522 -0.876 -25.251 1.00 13.20 H new ATOM 0 HD22 ASN A 46 -13.044 -0.674 -24.305 1.00 13.20 H new ATOM 726 N GLN A 47 -17.400 -0.723 -23.843 1.00 75.20 N ATOM 727 CA GLN A 47 -17.668 -2.147 -23.738 1.00 31.52 C ATOM 728 C GLN A 47 -18.449 -2.448 -22.457 1.00 1.43 C ATOM 729 O GLN A 47 -18.282 -1.762 -21.449 1.00 31.41 O ATOM 730 CB GLN A 47 -16.369 -2.955 -23.790 1.00 54.31 C ATOM 731 CG GLN A 47 -16.624 -4.425 -23.452 1.00 62.12 C ATOM 732 CD GLN A 47 -15.307 -5.177 -23.252 1.00 24.34 C ATOM 733 OE1 GLN A 47 -14.502 -4.627 -22.347 1.00 22.10 O flip ATOM 734 NE2 GLN A 47 -15.039 -6.190 -23.877 1.00 23.11 N flip ATOM 0 H GLN A 47 -17.801 -0.157 -23.095 1.00 75.20 H new ATOM 0 HA GLN A 47 -18.278 -2.445 -24.591 1.00 31.52 H new ATOM 0 HB2 GLN A 47 -15.928 -2.878 -24.784 1.00 54.31 H new ATOM 0 HB3 GLN A 47 -15.648 -2.536 -23.088 1.00 54.31 H new ATOM 0 HG2 GLN A 47 -17.228 -4.495 -22.547 1.00 62.12 H new ATOM 0 HG3 GLN A 47 -17.196 -4.892 -24.254 1.00 62.12 H new ATOM 0 HE21 GLN A 47 -15.702 -6.560 -24.558 1.00 23.11 H new ATOM 0 HE22 GLN A 47 -14.152 -6.667 -23.718 1.00 23.11 H new ATOM 743 N VAL A 48 -19.285 -3.472 -22.537 1.00 63.55 N ATOM 744 CA VAL A 48 -20.092 -3.872 -21.397 1.00 42.30 C ATOM 745 C VAL A 48 -19.173 -4.327 -20.262 1.00 2.34 C ATOM 746 O VAL A 48 -18.621 -5.425 -20.307 1.00 33.30 O ATOM 747 CB VAL A 48 -21.098 -4.945 -21.818 1.00 52.40 C ATOM 748 CG1 VAL A 48 -21.495 -5.821 -20.629 1.00 24.25 C ATOM 749 CG2 VAL A 48 -22.331 -4.315 -22.470 1.00 4.51 C ATOM 0 H VAL A 48 -19.421 -4.038 -23.375 1.00 63.55 H new ATOM 0 HA VAL A 48 -20.674 -3.028 -21.026 1.00 42.30 H new ATOM 0 HB VAL A 48 -20.616 -5.583 -22.559 1.00 52.40 H new ATOM 0 HG11 VAL A 48 -22.211 -6.575 -20.956 1.00 24.25 H new ATOM 0 HG12 VAL A 48 -20.609 -6.312 -20.227 1.00 24.25 H new ATOM 0 HG13 VAL A 48 -21.949 -5.201 -19.856 1.00 24.25 H new ATOM 0 HG21 VAL A 48 -23.030 -5.099 -22.760 1.00 4.51 H new ATOM 0 HG22 VAL A 48 -22.814 -3.642 -21.761 1.00 4.51 H new ATOM 0 HG23 VAL A 48 -22.028 -3.754 -23.354 1.00 4.51 H new ATOM 759 N VAL A 49 -19.036 -3.459 -19.270 1.00 13.12 N ATOM 760 CA VAL A 49 -18.194 -3.758 -18.124 1.00 44.15 C ATOM 761 C VAL A 49 -19.076 -4.045 -16.908 1.00 54.32 C ATOM 762 O VAL A 49 -19.611 -3.123 -16.294 1.00 30.25 O ATOM 763 CB VAL A 49 -17.205 -2.614 -17.889 1.00 51.13 C ATOM 764 CG1 VAL A 49 -16.185 -2.983 -16.810 1.00 75.52 C ATOM 765 CG2 VAL A 49 -16.506 -2.217 -19.191 1.00 53.22 C ATOM 0 H VAL A 49 -19.494 -2.548 -19.236 1.00 13.12 H new ATOM 0 HA VAL A 49 -17.599 -4.652 -18.311 1.00 44.15 H new ATOM 0 HB VAL A 49 -17.770 -1.751 -17.535 1.00 51.13 H new ATOM 0 HG11 VAL A 49 -15.494 -2.153 -16.663 1.00 75.52 H new ATOM 0 HG12 VAL A 49 -16.704 -3.193 -15.875 1.00 75.52 H new ATOM 0 HG13 VAL A 49 -15.629 -3.867 -17.122 1.00 75.52 H new ATOM 0 HG21 VAL A 49 -15.809 -1.402 -18.996 1.00 53.22 H new ATOM 0 HG22 VAL A 49 -15.961 -3.074 -19.587 1.00 53.22 H new ATOM 0 HG23 VAL A 49 -17.250 -1.892 -19.919 1.00 53.22 H new ATOM 775 N PRO A 50 -19.205 -5.360 -16.589 1.00 31.40 N ATOM 776 CA PRO A 50 -20.014 -5.780 -15.457 1.00 61.22 C ATOM 777 C PRO A 50 -19.298 -5.494 -14.136 1.00 12.14 C ATOM 778 O PRO A 50 -18.140 -5.080 -14.130 1.00 10.33 O ATOM 779 CB PRO A 50 -20.271 -7.261 -15.685 1.00 42.10 C ATOM 780 CG PRO A 50 -19.217 -7.718 -16.681 1.00 34.42 C ATOM 781 CD PRO A 50 -18.587 -6.479 -17.294 1.00 64.13 C ATOM 0 HA PRO A 50 -20.954 -5.233 -15.385 1.00 61.22 H new ATOM 0 HB2 PRO A 50 -20.195 -7.819 -14.752 1.00 42.10 H new ATOM 0 HB3 PRO A 50 -21.275 -7.428 -16.075 1.00 42.10 H new ATOM 0 HG2 PRO A 50 -18.460 -8.325 -16.184 1.00 34.42 H new ATOM 0 HG3 PRO A 50 -19.667 -8.340 -17.455 1.00 34.42 H new ATOM 0 HD2 PRO A 50 -17.505 -6.480 -17.164 1.00 64.13 H new ATOM 0 HD3 PRO A 50 -18.779 -6.426 -18.366 1.00 64.13 H new ATOM 789 N MET A 51 -20.018 -5.726 -13.048 1.00 24.35 N ATOM 790 CA MET A 51 -19.466 -5.499 -11.723 1.00 2.33 C ATOM 791 C MET A 51 -18.363 -6.511 -11.407 1.00 33.44 C ATOM 792 O MET A 51 -18.430 -7.662 -11.837 1.00 42.44 O ATOM 793 CB MET A 51 -20.579 -5.613 -10.679 1.00 61.23 C ATOM 794 CG MET A 51 -20.058 -5.272 -9.282 1.00 4.21 C ATOM 795 SD MET A 51 -21.164 -5.923 -8.042 1.00 11.13 S ATOM 796 CE MET A 51 -22.655 -5.035 -8.459 1.00 40.44 C ATOM 0 H MET A 51 -20.979 -6.069 -13.057 1.00 24.35 H new ATOM 0 HA MET A 51 -19.033 -4.499 -11.697 1.00 2.33 H new ATOM 0 HB2 MET A 51 -21.397 -4.941 -10.940 1.00 61.23 H new ATOM 0 HB3 MET A 51 -20.984 -6.625 -10.683 1.00 61.23 H new ATOM 0 HG2 MET A 51 -19.060 -5.688 -9.146 1.00 4.21 H new ATOM 0 HG3 MET A 51 -19.970 -4.191 -9.171 1.00 4.21 H new ATOM 0 HE1 MET A 51 -23.494 -5.449 -7.899 1.00 40.44 H new ATOM 0 HE2 MET A 51 -22.534 -3.982 -8.205 1.00 40.44 H new ATOM 0 HE3 MET A 51 -22.849 -5.131 -9.527 1.00 40.44 H new ATOM 806 N GLY A 52 -17.375 -6.047 -10.657 1.00 22.05 N ATOM 807 CA GLY A 52 -16.259 -6.898 -10.278 1.00 15.13 C ATOM 808 C GLY A 52 -15.206 -6.946 -11.386 1.00 23.41 C ATOM 809 O GLY A 52 -14.106 -7.458 -11.180 1.00 73.31 O ATOM 0 H GLY A 52 -17.323 -5.092 -10.301 1.00 22.05 H new ATOM 0 HA2 GLY A 52 -15.808 -6.525 -9.359 1.00 15.13 H new ATOM 0 HA3 GLY A 52 -16.619 -7.905 -10.070 1.00 15.13 H new ATOM 813 N THR A 53 -15.578 -6.407 -12.537 1.00 55.21 N ATOM 814 CA THR A 53 -14.679 -6.382 -13.678 1.00 71.11 C ATOM 815 C THR A 53 -13.749 -5.170 -13.598 1.00 54.22 C ATOM 816 O THR A 53 -14.207 -4.029 -13.637 1.00 44.43 O ATOM 817 CB THR A 53 -15.529 -6.414 -14.950 1.00 45.33 C ATOM 818 OG1 THR A 53 -16.298 -7.606 -14.824 1.00 73.23 O ATOM 819 CG2 THR A 53 -14.689 -6.643 -16.209 1.00 75.10 C ATOM 0 H THR A 53 -16.491 -5.984 -12.704 1.00 55.21 H new ATOM 0 HA THR A 53 -14.024 -7.254 -13.685 1.00 71.11 H new ATOM 0 HB THR A 53 -16.077 -5.476 -15.044 1.00 45.33 H new ATOM 0 HG1 THR A 53 -17.212 -7.379 -14.553 1.00 73.23 H new ATOM 0 HG21 THR A 53 -15.340 -6.657 -17.083 1.00 75.10 H new ATOM 0 HG22 THR A 53 -13.961 -5.838 -16.312 1.00 75.10 H new ATOM 0 HG23 THR A 53 -14.167 -7.597 -16.130 1.00 75.10 H new ATOM 827 N THR A 54 -12.461 -5.459 -13.488 1.00 11.44 N ATOM 828 CA THR A 54 -11.463 -4.406 -13.402 1.00 22.32 C ATOM 829 C THR A 54 -11.676 -3.377 -14.514 1.00 22.32 C ATOM 830 O THR A 54 -12.065 -3.731 -15.626 1.00 21.23 O ATOM 831 CB THR A 54 -10.081 -5.062 -13.437 1.00 2.42 C ATOM 832 OG1 THR A 54 -10.066 -5.903 -12.287 1.00 74.42 O ATOM 833 CG2 THR A 54 -8.952 -4.061 -13.180 1.00 63.43 C ATOM 0 H THR A 54 -12.085 -6.407 -13.456 1.00 11.44 H new ATOM 0 HA THR A 54 -11.552 -3.851 -12.468 1.00 22.32 H new ATOM 0 HB THR A 54 -9.931 -5.540 -14.405 1.00 2.42 H new ATOM 0 HG1 THR A 54 -10.761 -5.612 -11.660 1.00 74.42 H new ATOM 0 HG21 THR A 54 -7.993 -4.577 -13.216 1.00 63.43 H new ATOM 0 HG22 THR A 54 -8.974 -3.284 -13.944 1.00 63.43 H new ATOM 0 HG23 THR A 54 -9.084 -3.608 -12.197 1.00 63.43 H new ATOM 841 N LEU A 55 -11.411 -2.124 -14.175 1.00 72.11 N ATOM 842 CA LEU A 55 -11.569 -1.041 -15.131 1.00 70.21 C ATOM 843 C LEU A 55 -10.260 -0.851 -15.901 1.00 34.43 C ATOM 844 O LEU A 55 -9.203 -0.672 -15.299 1.00 63.11 O ATOM 845 CB LEU A 55 -12.059 0.227 -14.428 1.00 63.34 C ATOM 846 CG LEU A 55 -13.185 0.989 -15.129 1.00 11.21 C ATOM 847 CD1 LEU A 55 -13.159 0.741 -16.638 1.00 74.23 C ATOM 848 CD2 LEU A 55 -14.544 0.646 -14.515 1.00 1.53 C ATOM 0 H LEU A 55 -11.088 -1.834 -13.252 1.00 72.11 H new ATOM 0 HA LEU A 55 -12.337 -1.288 -15.864 1.00 70.21 H new ATOM 0 HB2 LEU A 55 -12.398 -0.044 -13.428 1.00 63.34 H new ATOM 0 HB3 LEU A 55 -11.212 0.902 -14.306 1.00 63.34 H new ATOM 0 HG LEU A 55 -13.022 2.056 -14.976 1.00 11.21 H new ATOM 0 HD11 LEU A 55 -13.970 1.294 -17.112 1.00 74.23 H new ATOM 0 HD12 LEU A 55 -12.205 1.076 -17.045 1.00 74.23 H new ATOM 0 HD13 LEU A 55 -13.284 -0.324 -16.834 1.00 74.23 H new ATOM 0 HD21 LEU A 55 -15.327 1.201 -15.031 1.00 1.53 H new ATOM 0 HD22 LEU A 55 -14.730 -0.423 -14.617 1.00 1.53 H new ATOM 0 HD23 LEU A 55 -14.545 0.916 -13.459 1.00 1.53 H new ATOM 860 N MET A 56 -10.375 -0.897 -17.220 1.00 20.41 N ATOM 861 CA MET A 56 -9.214 -0.733 -18.078 1.00 51.21 C ATOM 862 C MET A 56 -9.277 0.594 -18.837 1.00 53.14 C ATOM 863 O MET A 56 -10.361 1.124 -19.080 1.00 24.32 O ATOM 864 CB MET A 56 -9.149 -1.890 -19.077 1.00 31.13 C ATOM 865 CG MET A 56 -9.011 -3.231 -18.353 1.00 63.24 C ATOM 866 SD MET A 56 -7.286 -3.655 -18.177 1.00 43.32 S ATOM 867 CE MET A 56 -7.234 -4.026 -16.432 1.00 12.30 C ATOM 0 H MET A 56 -11.254 -1.045 -17.715 1.00 20.41 H new ATOM 0 HA MET A 56 -8.321 -0.731 -17.453 1.00 51.21 H new ATOM 0 HB2 MET A 56 -10.049 -1.895 -19.692 1.00 31.13 H new ATOM 0 HB3 MET A 56 -8.304 -1.747 -19.750 1.00 31.13 H new ATOM 0 HG2 MET A 56 -9.482 -3.174 -17.372 1.00 63.24 H new ATOM 0 HG3 MET A 56 -9.530 -4.010 -18.911 1.00 63.24 H new ATOM 0 HE1 MET A 56 -6.229 -3.843 -16.051 1.00 12.30 H new ATOM 0 HE2 MET A 56 -7.944 -3.390 -15.904 1.00 12.30 H new ATOM 0 HE3 MET A 56 -7.496 -5.072 -16.274 1.00 12.30 H new ATOM 877 N PRO A 57 -8.071 1.106 -19.201 1.00 40.11 N ATOM 878 CA PRO A 57 -7.979 2.361 -19.928 1.00 30.11 C ATOM 879 C PRO A 57 -8.382 2.177 -21.393 1.00 5.04 C ATOM 880 O PRO A 57 -8.514 3.152 -22.131 1.00 34.03 O ATOM 881 CB PRO A 57 -6.536 2.808 -19.760 1.00 70.10 C ATOM 882 CG PRO A 57 -5.761 1.568 -19.344 1.00 53.11 C ATOM 883 CD PRO A 57 -6.768 0.506 -18.931 1.00 45.42 C ATOM 0 HA PRO A 57 -8.663 3.119 -19.547 1.00 30.11 H new ATOM 0 HB2 PRO A 57 -6.144 3.220 -20.690 1.00 70.10 H new ATOM 0 HB3 PRO A 57 -6.455 3.591 -19.006 1.00 70.10 H new ATOM 0 HG2 PRO A 57 -5.144 1.209 -20.168 1.00 53.11 H new ATOM 0 HG3 PRO A 57 -5.088 1.798 -18.518 1.00 53.11 H new ATOM 0 HD2 PRO A 57 -6.630 -0.413 -19.500 1.00 45.42 H new ATOM 0 HD3 PRO A 57 -6.662 0.248 -17.877 1.00 45.42 H new ATOM 891 N ASP A 58 -8.564 0.920 -21.769 1.00 55.14 N ATOM 892 CA ASP A 58 -8.949 0.596 -23.133 1.00 33.15 C ATOM 893 C ASP A 58 -10.444 0.269 -23.172 1.00 45.41 C ATOM 894 O ASP A 58 -10.987 -0.039 -24.231 1.00 73.53 O ATOM 895 CB ASP A 58 -8.185 -0.626 -23.645 1.00 23.22 C ATOM 896 CG ASP A 58 -7.694 -1.584 -22.558 1.00 24.24 C ATOM 897 OD1 ASP A 58 -6.754 -1.274 -21.810 1.00 33.21 O ATOM 898 OD2 ASP A 58 -8.326 -2.707 -22.494 1.00 14.44 O ATOM 0 H ASP A 58 -8.452 0.114 -21.154 1.00 55.14 H new ATOM 0 HA ASP A 58 -8.718 1.456 -23.762 1.00 33.15 H new ATOM 0 HB2 ASP A 58 -8.829 -1.177 -24.330 1.00 23.22 H new ATOM 0 HB3 ASP A 58 -7.326 -0.283 -24.221 1.00 23.22 H new ATOM 904 N MET A 59 -11.065 0.349 -22.005 1.00 31.12 N ATOM 905 CA MET A 59 -12.486 0.066 -21.893 1.00 21.24 C ATOM 906 C MET A 59 -13.273 1.334 -21.557 1.00 0.14 C ATOM 907 O MET A 59 -14.423 1.260 -21.127 1.00 30.33 O ATOM 908 CB MET A 59 -12.713 -0.981 -20.800 1.00 53.20 C ATOM 909 CG MET A 59 -12.246 -2.363 -21.259 1.00 65.43 C ATOM 910 SD MET A 59 -12.888 -3.620 -20.166 1.00 2.51 S ATOM 911 CE MET A 59 -12.458 -2.906 -18.587 1.00 45.03 C ATOM 0 H MET A 59 -10.611 0.606 -21.129 1.00 31.12 H new ATOM 0 HA MET A 59 -12.839 -0.314 -22.852 1.00 21.24 H new ATOM 0 HB2 MET A 59 -12.174 -0.692 -19.898 1.00 53.20 H new ATOM 0 HB3 MET A 59 -13.771 -1.018 -20.541 1.00 53.20 H new ATOM 0 HG2 MET A 59 -12.583 -2.550 -22.279 1.00 65.43 H new ATOM 0 HG3 MET A 59 -11.157 -2.402 -21.271 1.00 65.43 H new ATOM 0 HE1 MET A 59 -11.754 -3.559 -18.072 1.00 45.03 H new ATOM 0 HE2 MET A 59 -12.000 -1.929 -18.742 1.00 45.03 H new ATOM 0 HE3 MET A 59 -13.357 -2.793 -17.982 1.00 45.03 H new ATOM 921 N VAL A 60 -12.622 2.469 -21.765 1.00 62.14 N ATOM 922 CA VAL A 60 -13.246 3.752 -21.490 1.00 34.30 C ATOM 923 C VAL A 60 -13.157 4.636 -22.736 1.00 22.54 C ATOM 924 O VAL A 60 -12.089 4.767 -23.332 1.00 73.14 O ATOM 925 CB VAL A 60 -12.606 4.391 -20.256 1.00 15.10 C ATOM 926 CG1 VAL A 60 -13.181 5.786 -20.001 1.00 41.02 C ATOM 927 CG2 VAL A 60 -12.773 3.496 -19.026 1.00 51.32 C ATOM 0 H VAL A 60 -11.668 2.527 -22.121 1.00 62.14 H new ATOM 0 HA VAL A 60 -14.303 3.621 -21.260 1.00 34.30 H new ATOM 0 HB VAL A 60 -11.539 4.498 -20.450 1.00 15.10 H new ATOM 0 HG11 VAL A 60 -12.709 6.218 -19.118 1.00 41.02 H new ATOM 0 HG12 VAL A 60 -12.988 6.423 -20.864 1.00 41.02 H new ATOM 0 HG13 VAL A 60 -14.256 5.712 -19.838 1.00 41.02 H new ATOM 0 HG21 VAL A 60 -12.309 3.974 -18.163 1.00 51.32 H new ATOM 0 HG22 VAL A 60 -13.834 3.342 -18.829 1.00 51.32 H new ATOM 0 HG23 VAL A 60 -12.295 2.534 -19.209 1.00 51.32 H new ATOM 937 N LYS A 61 -14.292 5.219 -23.091 1.00 71.42 N ATOM 938 CA LYS A 61 -14.355 6.086 -24.255 1.00 53.31 C ATOM 939 C LYS A 61 -13.961 7.508 -23.848 1.00 72.43 C ATOM 940 O LYS A 61 -14.331 7.974 -22.772 1.00 10.01 O ATOM 941 CB LYS A 61 -15.732 5.995 -24.917 1.00 43.30 C ATOM 942 CG LYS A 61 -15.687 5.095 -26.153 1.00 73.41 C ATOM 943 CD LYS A 61 -16.847 4.096 -26.146 1.00 5.12 C ATOM 944 CE LYS A 61 -18.111 4.720 -26.739 1.00 52.04 C ATOM 945 NZ LYS A 61 -18.006 4.802 -28.213 1.00 71.44 N ATOM 0 H LYS A 61 -15.175 5.108 -22.593 1.00 71.42 H new ATOM 0 HA LYS A 61 -13.641 5.761 -25.012 1.00 53.31 H new ATOM 0 HB2 LYS A 61 -16.457 5.603 -24.204 1.00 43.30 H new ATOM 0 HB3 LYS A 61 -16.070 6.992 -25.201 1.00 43.30 H new ATOM 0 HG2 LYS A 61 -15.734 5.706 -27.054 1.00 73.41 H new ATOM 0 HG3 LYS A 61 -14.739 4.557 -26.182 1.00 73.41 H new ATOM 0 HD2 LYS A 61 -16.572 3.210 -26.718 1.00 5.12 H new ATOM 0 HD3 LYS A 61 -17.043 3.768 -25.125 1.00 5.12 H new ATOM 0 HE2 LYS A 61 -18.981 4.125 -26.463 1.00 52.04 H new ATOM 0 HE3 LYS A 61 -18.261 5.716 -26.323 1.00 52.04 H new ATOM 0 HZ1 LYS A 61 -18.946 4.984 -28.618 1.00 71.44 H new ATOM 0 HZ2 LYS A 61 -17.362 5.576 -28.473 1.00 71.44 H new ATOM 0 HZ3 LYS A 61 -17.636 3.904 -28.585 1.00 71.44 H new ATOM 958 N GLY A 62 -13.216 8.156 -24.731 1.00 1.31 N ATOM 959 CA GLY A 62 -12.768 9.515 -24.477 1.00 64.01 C ATOM 960 C GLY A 62 -11.751 9.553 -23.334 1.00 72.41 C ATOM 961 O GLY A 62 -11.495 10.610 -22.761 1.00 43.53 O ATOM 0 H GLY A 62 -12.911 7.766 -25.623 1.00 1.31 H new ATOM 0 HA2 GLY A 62 -12.320 9.929 -25.381 1.00 64.01 H new ATOM 0 HA3 GLY A 62 -13.623 10.143 -24.228 1.00 64.01 H new ATOM 965 N TYR A 63 -11.200 8.385 -23.036 1.00 51.23 N ATOM 966 CA TYR A 63 -10.217 8.271 -21.972 1.00 14.21 C ATOM 967 C TYR A 63 -8.815 8.609 -22.482 1.00 20.01 C ATOM 968 O TYR A 63 -8.622 8.833 -23.676 1.00 20.50 O ATOM 969 CB TYR A 63 -10.246 6.808 -21.526 1.00 74.12 C ATOM 970 CG TYR A 63 -9.232 6.471 -20.432 1.00 21.33 C ATOM 971 CD1 TYR A 63 -9.575 6.620 -19.103 1.00 42.31 C ATOM 972 CD2 TYR A 63 -7.974 6.017 -20.773 1.00 30.12 C ATOM 973 CE1 TYR A 63 -8.620 6.303 -18.073 1.00 20.10 C ATOM 974 CE2 TYR A 63 -7.019 5.700 -19.743 1.00 32.54 C ATOM 975 CZ TYR A 63 -7.389 5.858 -18.444 1.00 13.14 C ATOM 976 OH TYR A 63 -6.488 5.558 -17.471 1.00 4.33 O ATOM 0 H TYR A 63 -11.416 7.510 -23.513 1.00 51.23 H new ATOM 0 HA TYR A 63 -10.449 8.960 -21.160 1.00 14.21 H new ATOM 0 HB2 TYR A 63 -11.247 6.568 -21.166 1.00 74.12 H new ATOM 0 HB3 TYR A 63 -10.057 6.171 -22.391 1.00 74.12 H new ATOM 0 HD1 TYR A 63 -10.560 6.974 -18.836 1.00 42.31 H new ATOM 0 HD2 TYR A 63 -7.706 5.899 -21.813 1.00 30.12 H new ATOM 0 HE1 TYR A 63 -8.875 6.416 -17.030 1.00 20.10 H new ATOM 0 HE2 TYR A 63 -6.031 5.345 -19.996 1.00 32.54 H new ATOM 0 HH TYR A 63 -6.672 6.101 -16.676 1.00 4.33 H new ATOM 986 N ALA A 64 -7.872 8.635 -21.551 1.00 51.45 N ATOM 987 CA ALA A 64 -6.493 8.942 -21.892 1.00 12.11 C ATOM 988 C ALA A 64 -5.690 9.154 -20.607 1.00 33.12 C ATOM 989 O ALA A 64 -6.260 9.432 -19.553 1.00 34.51 O ATOM 990 CB ALA A 64 -6.454 10.164 -22.812 1.00 20.01 C ATOM 0 H ALA A 64 -8.036 8.449 -20.562 1.00 51.45 H new ATOM 0 HA ALA A 64 -6.038 8.112 -22.433 1.00 12.11 H new ATOM 0 HB1 ALA A 64 -5.420 10.394 -23.068 1.00 20.01 H new ATOM 0 HB2 ALA A 64 -7.014 9.952 -23.723 1.00 20.01 H new ATOM 0 HB3 ALA A 64 -6.900 11.018 -22.302 1.00 20.01 H new ATOM 996 N PRO A 65 -4.344 9.011 -20.740 1.00 14.00 N ATOM 997 CA PRO A 65 -3.457 9.184 -19.602 1.00 72.43 C ATOM 998 C PRO A 65 -3.300 10.664 -19.249 1.00 70.01 C ATOM 999 O PRO A 65 -4.109 11.494 -19.661 1.00 73.52 O ATOM 1000 CB PRO A 65 -2.150 8.530 -20.020 1.00 41.41 C ATOM 1001 CG PRO A 65 -2.200 8.429 -21.536 1.00 14.30 C ATOM 1002 CD PRO A 65 -3.634 8.683 -21.973 1.00 31.45 C ATOM 0 HA PRO A 65 -3.844 8.724 -18.693 1.00 72.43 H new ATOM 0 HB2 PRO A 65 -1.295 9.124 -19.696 1.00 41.41 H new ATOM 0 HB3 PRO A 65 -2.044 7.545 -19.566 1.00 41.41 H new ATOM 0 HG2 PRO A 65 -1.528 9.158 -21.990 1.00 14.30 H new ATOM 0 HG3 PRO A 65 -1.870 7.443 -21.864 1.00 14.30 H new ATOM 0 HD2 PRO A 65 -3.690 9.500 -22.692 1.00 31.45 H new ATOM 0 HD3 PRO A 65 -4.063 7.804 -22.455 1.00 31.45 H new ATOM 1010 N ALA A 66 -2.253 10.950 -18.490 1.00 2.23 N ATOM 1011 CA ALA A 66 -1.979 12.316 -18.076 1.00 41.15 C ATOM 1012 C ALA A 66 -0.466 12.543 -18.052 1.00 51.54 C ATOM 1013 O ALA A 66 0.305 11.597 -17.907 1.00 23.51 O ATOM 1014 CB ALA A 66 -2.630 12.579 -16.717 1.00 23.51 C ATOM 0 H ALA A 66 -1.584 10.259 -18.151 1.00 2.23 H new ATOM 0 HA ALA A 66 -2.408 13.025 -18.784 1.00 41.15 H new ATOM 0 HB1 ALA A 66 -2.424 13.604 -16.407 1.00 23.51 H new ATOM 0 HB2 ALA A 66 -3.707 12.433 -16.795 1.00 23.51 H new ATOM 0 HB3 ALA A 66 -2.223 11.888 -15.979 1.00 23.51 H new TER 1020 ALA A 66