USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 914 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 63 TYR OH : rot 118:sc= 1.36 USER MOD Set 2.2: A 65 CYS SG : rot -41:sc= 1.09 USER MOD Set 2.3: A 68 LYS NZ :NH3+ -177:sc=0.000519 (180deg=0) USER MOD Set 3.1: A 1 MET N :NH3+ -137:sc= -2.05 (180deg=-3.79!) USER MOD Set 3.2: A 34 THR OG1 : rot 180:sc= -0.0711 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -147:sc= -2.07! (180deg=-3.8!) USER MOD Single : A 10 ASN : amide:sc= -2 K(o=-2,f=-3.1!) USER MOD Single : A 11 CYS SG : rot -54:sc= 0.909 USER MOD Single : A 16 ASN : amide:sc= -0.89 K(o=-0.89,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 32:sc= 0.0912! USER MOD Single : A 25 LYS NZ :NH3+ -177:sc= 0.409 (180deg=0.393) USER MOD Single : A 30 LYS NZ :NH3+ 150:sc= -0.445 (180deg=-1.22) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 171:sc= -0.737 (180deg=-0.966) USER MOD Single : A 43 LYS NZ :NH3+ -155:sc= -1.19 (180deg=-2.91!) USER MOD Single : A 45 ASN : amide:sc= -0.224 K(o=-0.22,f=-1.3) USER MOD Single : A 56 ASN : amide:sc= -0.0665 K(o=-0.066,f=-0.97) USER MOD Single : A 58 CYS SG : rot 178:sc= -2.7! USER MOD Single : A 67 ASN : amide:sc= -1.25 K(o=-1.2,f=-0.06) USER MOD Single : A 70 GLN : amide:sc= -0.964 K(o=-0.96,f=-6.2!) USER MOD Single : A 75 CYS SG : rot 180:sc= -0.17 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 95:sc= 0.555 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.17 USER MOD Single : A 89 SER OG : rot -33:sc= 0.948 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= 0.00502 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.633 USER MOD Single : A 109 HIS : no HD1:sc= -0.38 K(o=-0.38,f=-1.3) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.048 1.272 0.520 1.00 72.12 N ATOM 2 CA MET A 1 2.202 1.099 -0.354 1.00 25.21 C ATOM 3 C MET A 1 2.536 -0.380 -0.527 1.00 41.54 C ATOM 4 O MET A 1 1.748 -1.250 -0.160 1.00 60.43 O ATOM 5 CB MET A 1 3.413 1.844 0.212 1.00 61.23 C ATOM 6 CG MET A 1 3.108 3.275 0.624 1.00 33.44 C ATOM 7 SD MET A 1 4.213 4.471 -0.148 1.00 45.20 S ATOM 8 CE MET A 1 4.228 5.766 1.089 1.00 4.23 C ATOM 0 H1 MET A 1 0.415 1.995 0.121 1.00 72.12 H new ATOM 0 H2 MET A 1 0.536 0.370 0.601 1.00 72.12 H new ATOM 0 H3 MET A 1 1.368 1.574 1.462 1.00 72.12 H new ATOM 0 HA MET A 1 1.953 1.514 -1.331 1.00 25.21 H new ATOM 0 HB2 MET A 1 3.793 1.299 1.076 1.00 61.23 H new ATOM 0 HB3 MET A 1 4.207 1.851 -0.535 1.00 61.23 H new ATOM 0 HG2 MET A 1 2.078 3.514 0.358 1.00 33.44 H new ATOM 0 HG3 MET A 1 3.186 3.361 1.708 1.00 33.44 H new ATOM 0 HE1 MET A 1 4.871 6.580 0.755 1.00 4.23 H new ATOM 0 HE2 MET A 1 3.215 6.140 1.236 1.00 4.23 H new ATOM 0 HE3 MET A 1 4.607 5.366 2.030 1.00 4.23 H new ATOM 18 N ALA A 2 3.709 -0.655 -1.089 1.00 55.05 N ATOM 19 CA ALA A 2 4.146 -2.028 -1.310 1.00 3.32 C ATOM 20 C ALA A 2 3.985 -2.865 -0.046 1.00 32.04 C ATOM 21 O ALA A 2 4.112 -2.356 1.068 1.00 73.00 O ATOM 22 CB ALA A 2 5.593 -2.051 -1.779 1.00 63.24 C ATOM 0 H ALA A 2 4.373 0.054 -1.399 1.00 55.05 H new ATOM 0 HA ALA A 2 3.516 -2.464 -2.086 1.00 3.32 H new ATOM 0 HB1 ALA A 2 5.907 -3.082 -1.940 1.00 63.24 H new ATOM 0 HB2 ALA A 2 5.682 -1.494 -2.712 1.00 63.24 H new ATOM 0 HB3 ALA A 2 6.228 -1.593 -1.021 1.00 63.24 H new ATOM 28 N SER A 3 3.703 -4.152 -0.225 1.00 44.44 N ATOM 29 CA SER A 3 3.520 -5.059 0.902 1.00 51.35 C ATOM 30 C SER A 3 2.308 -4.652 1.734 1.00 20.14 C ATOM 31 O SER A 3 1.750 -3.571 1.552 1.00 1.14 O ATOM 32 CB SER A 3 4.773 -5.076 1.779 1.00 62.23 C ATOM 33 OG SER A 3 4.895 -6.307 2.470 1.00 71.31 O ATOM 0 H SER A 3 3.596 -4.590 -1.140 1.00 44.44 H new ATOM 0 HA SER A 3 3.349 -6.060 0.507 1.00 51.35 H new ATOM 0 HB2 SER A 3 5.656 -4.913 1.161 1.00 62.23 H new ATOM 0 HB3 SER A 3 4.730 -4.256 2.496 1.00 62.23 H new ATOM 0 HG SER A 3 5.705 -6.293 3.022 1.00 71.31 H new ATOM 39 N GLY A 4 1.906 -5.529 2.650 1.00 10.50 N ATOM 40 CA GLY A 4 0.763 -5.244 3.498 1.00 50.13 C ATOM 41 C GLY A 4 -0.455 -4.815 2.704 1.00 50.00 C ATOM 42 O GLY A 4 -1.133 -3.854 3.066 1.00 32.12 O ATOM 0 H GLY A 4 2.351 -6.431 2.820 1.00 10.50 H new ATOM 0 HA2 GLY A 4 0.518 -6.131 4.083 1.00 50.13 H new ATOM 0 HA3 GLY A 4 1.027 -4.458 4.206 1.00 50.13 H new ATOM 46 N MET A 5 -0.732 -5.528 1.617 1.00 14.03 N ATOM 47 CA MET A 5 -1.877 -5.215 0.770 1.00 52.22 C ATOM 48 C MET A 5 -3.153 -5.105 1.599 1.00 51.25 C ATOM 49 O MET A 5 -3.355 -5.861 2.548 1.00 74.15 O ATOM 50 CB MET A 5 -2.047 -6.285 -0.310 1.00 52.23 C ATOM 51 CG MET A 5 -0.762 -6.605 -1.056 1.00 70.02 C ATOM 52 SD MET A 5 -0.106 -8.233 -0.642 1.00 42.33 S ATOM 53 CE MET A 5 1.477 -7.789 0.068 1.00 3.22 C ATOM 0 H MET A 5 -0.180 -6.326 1.302 1.00 14.03 H new ATOM 0 HA MET A 5 -1.692 -4.253 0.292 1.00 52.22 H new ATOM 0 HB2 MET A 5 -2.427 -7.197 0.150 1.00 52.23 H new ATOM 0 HB3 MET A 5 -2.799 -5.952 -1.025 1.00 52.23 H new ATOM 0 HG2 MET A 5 -0.947 -6.554 -2.129 1.00 70.02 H new ATOM 0 HG3 MET A 5 -0.014 -5.847 -0.825 1.00 70.02 H new ATOM 0 HE1 MET A 5 2.208 -8.565 -0.158 1.00 3.22 H new ATOM 0 HE2 MET A 5 1.812 -6.841 -0.354 1.00 3.22 H new ATOM 0 HE3 MET A 5 1.376 -7.690 1.149 1.00 3.22 H new ATOM 63 N GLY A 6 -4.011 -4.157 1.233 1.00 33.21 N ATOM 64 CA GLY A 6 -5.256 -3.966 1.954 1.00 53.13 C ATOM 65 C GLY A 6 -6.468 -4.363 1.134 1.00 42.33 C ATOM 66 O GLY A 6 -7.010 -3.552 0.382 1.00 35.52 O ATOM 0 H GLY A 6 -3.866 -3.519 0.451 1.00 33.21 H new ATOM 0 HA2 GLY A 6 -5.234 -4.553 2.872 1.00 53.13 H new ATOM 0 HA3 GLY A 6 -5.346 -2.920 2.247 1.00 53.13 H new ATOM 70 N VAL A 7 -6.893 -5.614 1.276 1.00 22.10 N ATOM 71 CA VAL A 7 -8.048 -6.117 0.542 1.00 64.51 C ATOM 72 C VAL A 7 -9.346 -5.546 1.101 1.00 62.40 C ATOM 73 O VAL A 7 -9.813 -5.962 2.161 1.00 32.23 O ATOM 74 CB VAL A 7 -8.115 -7.656 0.587 1.00 3.44 C ATOM 75 CG1 VAL A 7 -7.029 -8.264 -0.287 1.00 4.32 C ATOM 76 CG2 VAL A 7 -7.997 -8.151 2.021 1.00 62.53 C ATOM 0 H VAL A 7 -6.455 -6.298 1.893 1.00 22.10 H new ATOM 0 HA VAL A 7 -7.930 -5.796 -0.493 1.00 64.51 H new ATOM 0 HB VAL A 7 -9.082 -7.973 0.195 1.00 3.44 H new ATOM 0 HG11 VAL A 7 -7.092 -9.351 -0.242 1.00 4.32 H new ATOM 0 HG12 VAL A 7 -7.164 -7.935 -1.317 1.00 4.32 H new ATOM 0 HG13 VAL A 7 -6.051 -7.942 0.071 1.00 4.32 H new ATOM 0 HG21 VAL A 7 -8.046 -9.240 2.035 1.00 62.53 H new ATOM 0 HG22 VAL A 7 -7.046 -7.825 2.441 1.00 62.53 H new ATOM 0 HG23 VAL A 7 -8.815 -7.743 2.615 1.00 62.53 H new ATOM 86 N ASP A 8 -9.924 -4.592 0.381 1.00 50.42 N ATOM 87 CA ASP A 8 -11.170 -3.963 0.804 1.00 73.53 C ATOM 88 C ASP A 8 -12.362 -4.571 0.070 1.00 64.23 C ATOM 89 O ASP A 8 -12.197 -5.257 -0.939 1.00 3.23 O ATOM 90 CB ASP A 8 -11.117 -2.455 0.554 1.00 62.52 C ATOM 91 CG ASP A 8 -11.853 -1.666 1.618 1.00 2.32 C ATOM 92 OD1 ASP A 8 -11.416 -1.695 2.788 1.00 64.21 O ATOM 93 OD2 ASP A 8 -12.865 -1.018 1.282 1.00 54.55 O ATOM 0 H ASP A 8 -9.550 -4.237 -0.499 1.00 50.42 H new ATOM 0 HA ASP A 8 -11.293 -4.142 1.872 1.00 73.53 H new ATOM 0 HB2 ASP A 8 -10.077 -2.132 0.520 1.00 62.52 H new ATOM 0 HB3 ASP A 8 -11.551 -2.236 -0.422 1.00 62.52 H new ATOM 98 N GLU A 9 -13.560 -4.315 0.584 1.00 35.40 N ATOM 99 CA GLU A 9 -14.779 -4.840 -0.022 1.00 43.53 C ATOM 100 C GLU A 9 -14.994 -4.246 -1.411 1.00 51.34 C ATOM 101 O GLU A 9 -15.815 -4.735 -2.186 1.00 41.53 O ATOM 102 CB GLU A 9 -15.987 -4.538 0.866 1.00 34.32 C ATOM 103 CG GLU A 9 -16.054 -3.094 1.334 1.00 20.33 C ATOM 104 CD GLU A 9 -17.477 -2.611 1.534 1.00 52.43 C ATOM 105 OE1 GLU A 9 -18.327 -2.891 0.663 1.00 32.11 O ATOM 106 OE2 GLU A 9 -17.741 -1.951 2.561 1.00 24.53 O ATOM 0 H GLU A 9 -13.713 -3.748 1.418 1.00 35.40 H new ATOM 0 HA GLU A 9 -14.670 -5.920 -0.120 1.00 43.53 H new ATOM 0 HB2 GLU A 9 -16.899 -4.776 0.318 1.00 34.32 H new ATOM 0 HB3 GLU A 9 -15.959 -5.192 1.737 1.00 34.32 H new ATOM 0 HG2 GLU A 9 -15.505 -2.994 2.270 1.00 20.33 H new ATOM 0 HG3 GLU A 9 -15.557 -2.456 0.603 1.00 20.33 H new ATOM 113 N ASN A 10 -14.250 -3.188 -1.718 1.00 15.51 N ATOM 114 CA ASN A 10 -14.360 -2.525 -3.013 1.00 33.43 C ATOM 115 C ASN A 10 -13.984 -3.477 -4.144 1.00 60.21 C ATOM 116 O ASN A 10 -14.799 -3.771 -5.019 1.00 54.42 O ATOM 117 CB ASN A 10 -13.463 -1.287 -3.053 1.00 42.13 C ATOM 118 CG ASN A 10 -14.041 -0.128 -2.265 1.00 1.23 C ATOM 119 OD1 ASN A 10 -15.031 0.481 -2.671 1.00 2.33 O ATOM 120 ND2 ASN A 10 -13.423 0.182 -1.131 1.00 15.53 N ATOM 0 H ASN A 10 -13.565 -2.771 -1.088 1.00 15.51 H new ATOM 0 HA ASN A 10 -15.397 -2.218 -3.150 1.00 33.43 H new ATOM 0 HB2 ASN A 10 -12.481 -1.540 -2.654 1.00 42.13 H new ATOM 0 HB3 ASN A 10 -13.317 -0.981 -4.089 1.00 42.13 H new ATOM 0 HD21 ASN A 10 -13.766 0.953 -0.557 1.00 15.53 H new ATOM 0 HD22 ASN A 10 -12.606 -0.351 -0.834 1.00 15.53 H new ATOM 127 N CYS A 11 -12.745 -3.956 -4.119 1.00 72.13 N ATOM 128 CA CYS A 11 -12.260 -4.875 -5.143 1.00 31.11 C ATOM 129 C CYS A 11 -13.262 -6.000 -5.383 1.00 1.05 C ATOM 130 O CYS A 11 -13.386 -6.508 -6.497 1.00 21.31 O ATOM 131 CB CYS A 11 -10.907 -5.459 -4.734 1.00 32.24 C ATOM 132 SG CYS A 11 -11.000 -6.666 -3.391 1.00 32.42 S ATOM 0 H CYS A 11 -12.058 -3.723 -3.401 1.00 72.13 H new ATOM 0 HA CYS A 11 -12.140 -4.316 -6.071 1.00 31.11 H new ATOM 0 HB2 CYS A 11 -10.450 -5.933 -5.603 1.00 32.24 H new ATOM 0 HB3 CYS A 11 -10.248 -4.645 -4.432 1.00 32.24 H new ATOM 0 HG CYS A 11 -11.617 -6.139 -2.376 1.00 32.42 H new ATOM 138 N VAL A 12 -13.974 -6.386 -4.328 1.00 51.34 N ATOM 139 CA VAL A 12 -14.965 -7.451 -4.424 1.00 22.14 C ATOM 140 C VAL A 12 -16.227 -6.967 -5.129 1.00 2.35 C ATOM 141 O VAL A 12 -16.787 -7.667 -5.971 1.00 34.33 O ATOM 142 CB VAL A 12 -15.343 -7.992 -3.032 1.00 2.01 C ATOM 143 CG1 VAL A 12 -16.303 -9.165 -3.157 1.00 50.04 C ATOM 144 CG2 VAL A 12 -14.095 -8.394 -2.260 1.00 51.10 C ATOM 0 H VAL A 12 -13.883 -5.977 -3.398 1.00 51.34 H new ATOM 0 HA VAL A 12 -14.512 -8.253 -5.007 1.00 22.14 H new ATOM 0 HB VAL A 12 -15.846 -7.200 -2.478 1.00 2.01 H new ATOM 0 HG11 VAL A 12 -16.558 -9.534 -2.164 1.00 50.04 H new ATOM 0 HG12 VAL A 12 -17.210 -8.840 -3.668 1.00 50.04 H new ATOM 0 HG13 VAL A 12 -15.830 -9.963 -3.729 1.00 50.04 H new ATOM 0 HG21 VAL A 12 -14.381 -8.774 -1.279 1.00 51.10 H new ATOM 0 HG22 VAL A 12 -13.562 -9.170 -2.809 1.00 51.10 H new ATOM 0 HG23 VAL A 12 -13.447 -7.526 -2.138 1.00 51.10 H new ATOM 154 N ALA A 13 -16.668 -5.763 -4.778 1.00 75.15 N ATOM 155 CA ALA A 13 -17.863 -5.183 -5.379 1.00 71.25 C ATOM 156 C ALA A 13 -17.737 -5.117 -6.898 1.00 31.03 C ATOM 157 O ALA A 13 -18.738 -5.119 -7.614 1.00 35.12 O ATOM 158 CB ALA A 13 -18.121 -3.797 -4.808 1.00 54.24 C ATOM 0 H ALA A 13 -16.216 -5.171 -4.081 1.00 75.15 H new ATOM 0 HA ALA A 13 -18.710 -5.826 -5.139 1.00 71.25 H new ATOM 0 HB1 ALA A 13 -19.016 -3.376 -5.266 1.00 54.24 H new ATOM 0 HB2 ALA A 13 -18.264 -3.869 -3.730 1.00 54.24 H new ATOM 0 HB3 ALA A 13 -17.268 -3.152 -5.019 1.00 54.24 H new ATOM 164 N ARG A 14 -16.501 -5.058 -7.382 1.00 41.51 N ATOM 165 CA ARG A 14 -16.245 -4.989 -8.816 1.00 4.43 C ATOM 166 C ARG A 14 -16.272 -6.380 -9.440 1.00 70.44 C ATOM 167 O ARG A 14 -17.021 -6.634 -10.384 1.00 35.44 O ATOM 168 CB ARG A 14 -14.892 -4.325 -9.082 1.00 54.33 C ATOM 169 CG ARG A 14 -14.563 -3.202 -8.112 1.00 53.01 C ATOM 170 CD ARG A 14 -15.696 -2.191 -8.025 1.00 43.24 C ATOM 171 NE ARG A 14 -16.022 -1.852 -6.643 1.00 0.41 N ATOM 172 CZ ARG A 14 -17.073 -1.118 -6.295 1.00 12.04 C ATOM 173 NH1 ARG A 14 -17.896 -0.650 -7.223 1.00 2.40 N ATOM 174 NH2 ARG A 14 -17.304 -0.852 -5.015 1.00 43.02 N ATOM 0 H ARG A 14 -15.661 -5.057 -6.803 1.00 41.51 H new ATOM 0 HA ARG A 14 -17.033 -4.390 -9.272 1.00 4.43 H new ATOM 0 HB2 ARG A 14 -14.109 -5.081 -9.028 1.00 54.33 H new ATOM 0 HB3 ARG A 14 -14.884 -3.930 -10.098 1.00 54.33 H new ATOM 0 HG2 ARG A 14 -14.369 -3.619 -7.124 1.00 53.01 H new ATOM 0 HG3 ARG A 14 -13.650 -2.700 -8.431 1.00 53.01 H new ATOM 0 HD2 ARG A 14 -15.416 -1.286 -8.564 1.00 43.24 H new ATOM 0 HD3 ARG A 14 -16.581 -2.595 -8.518 1.00 43.24 H new ATOM 0 HE ARG A 14 -15.409 -2.198 -5.904 1.00 0.41 H new ATOM 0 HH11 ARG A 14 -17.723 -0.853 -8.207 1.00 2.40 H new ATOM 0 HH12 ARG A 14 -18.702 -0.087 -6.953 1.00 2.40 H new ATOM 0 HH21 ARG A 14 -16.674 -1.211 -4.298 1.00 43.02 H new ATOM 0 HH22 ARG A 14 -18.111 -0.288 -4.749 1.00 43.02 H new ATOM 188 N PHE A 15 -15.449 -7.278 -8.908 1.00 74.45 N ATOM 189 CA PHE A 15 -15.378 -8.644 -9.415 1.00 20.25 C ATOM 190 C PHE A 15 -16.737 -9.331 -9.319 1.00 70.31 C ATOM 191 O PHE A 15 -16.996 -10.317 -10.009 1.00 1.52 O ATOM 192 CB PHE A 15 -14.333 -9.445 -8.635 1.00 60.33 C ATOM 193 CG PHE A 15 -13.062 -8.686 -8.381 1.00 52.15 C ATOM 194 CD1 PHE A 15 -12.675 -7.657 -9.224 1.00 45.32 C ATOM 195 CD2 PHE A 15 -12.255 -9.002 -7.300 1.00 51.44 C ATOM 196 CE1 PHE A 15 -11.506 -6.956 -8.993 1.00 41.53 C ATOM 197 CE2 PHE A 15 -11.086 -8.304 -7.064 1.00 42.32 C ATOM 198 CZ PHE A 15 -10.710 -7.280 -7.912 1.00 71.34 C ATOM 0 H PHE A 15 -14.822 -7.085 -8.127 1.00 74.45 H new ATOM 0 HA PHE A 15 -15.086 -8.602 -10.464 1.00 20.25 H new ATOM 0 HB2 PHE A 15 -14.760 -9.752 -7.680 1.00 60.33 H new ATOM 0 HB3 PHE A 15 -14.099 -10.355 -9.187 1.00 60.33 H new ATOM 0 HD1 PHE A 15 -13.293 -7.400 -10.071 1.00 45.32 H new ATOM 0 HD2 PHE A 15 -12.543 -9.803 -6.635 1.00 51.44 H new ATOM 0 HE1 PHE A 15 -11.216 -6.156 -9.657 1.00 41.53 H new ATOM 0 HE2 PHE A 15 -10.466 -8.559 -6.217 1.00 42.32 H new ATOM 0 HZ PHE A 15 -9.796 -6.734 -7.730 1.00 71.34 H new ATOM 208 N ASN A 16 -17.601 -8.803 -8.458 1.00 71.42 N ATOM 209 CA ASN A 16 -18.934 -9.366 -8.271 1.00 4.12 C ATOM 210 C ASN A 16 -19.918 -8.780 -9.279 1.00 21.43 C ATOM 211 O ASN A 16 -21.041 -9.265 -9.417 1.00 45.23 O ATOM 212 CB ASN A 16 -19.426 -9.101 -6.847 1.00 12.43 C ATOM 213 CG ASN A 16 -18.904 -10.122 -5.855 1.00 4.54 C ATOM 214 OD1 ASN A 16 -19.662 -10.672 -5.056 1.00 2.11 O ATOM 215 ND2 ASN A 16 -17.602 -10.379 -5.901 1.00 3.20 N ATOM 0 H ASN A 16 -17.403 -7.987 -7.879 1.00 71.42 H new ATOM 0 HA ASN A 16 -18.874 -10.442 -8.433 1.00 4.12 H new ATOM 0 HB2 ASN A 16 -19.113 -8.104 -6.537 1.00 12.43 H new ATOM 0 HB3 ASN A 16 -20.516 -9.111 -6.834 1.00 12.43 H new ATOM 0 HD21 ASN A 16 -17.193 -11.056 -5.257 1.00 3.20 H new ATOM 0 HD22 ASN A 16 -17.011 -9.899 -6.580 1.00 3.20 H new ATOM 222 N GLU A 17 -19.488 -7.736 -9.980 1.00 22.11 N ATOM 223 CA GLU A 17 -20.332 -7.085 -10.975 1.00 3.12 C ATOM 224 C GLU A 17 -20.170 -7.745 -12.341 1.00 41.43 C ATOM 225 O GLU A 17 -21.148 -7.961 -13.058 1.00 64.45 O ATOM 226 CB GLU A 17 -19.989 -5.597 -11.071 1.00 54.30 C ATOM 227 CG GLU A 17 -20.471 -4.783 -9.882 1.00 35.13 C ATOM 228 CD GLU A 17 -21.845 -4.180 -10.105 1.00 62.34 C ATOM 229 OE1 GLU A 17 -22.741 -4.905 -10.586 1.00 24.53 O ATOM 230 OE2 GLU A 17 -22.023 -2.983 -9.799 1.00 52.45 O ATOM 0 H GLU A 17 -18.561 -7.323 -9.878 1.00 22.11 H new ATOM 0 HA GLU A 17 -21.370 -7.192 -10.660 1.00 3.12 H new ATOM 0 HB2 GLU A 17 -18.908 -5.487 -11.162 1.00 54.30 H new ATOM 0 HB3 GLU A 17 -20.428 -5.190 -11.982 1.00 54.30 H new ATOM 0 HG2 GLU A 17 -20.497 -5.419 -8.998 1.00 35.13 H new ATOM 0 HG3 GLU A 17 -19.757 -3.985 -9.679 1.00 35.13 H new ATOM 237 N LEU A 18 -18.929 -8.061 -12.696 1.00 13.05 N ATOM 238 CA LEU A 18 -18.638 -8.696 -13.976 1.00 44.32 C ATOM 239 C LEU A 18 -19.032 -10.169 -13.956 1.00 40.01 C ATOM 240 O LEU A 18 -19.430 -10.731 -14.977 1.00 12.51 O ATOM 241 CB LEU A 18 -17.151 -8.558 -14.309 1.00 21.41 C ATOM 242 CG LEU A 18 -16.193 -9.396 -13.461 1.00 32.21 C ATOM 243 CD1 LEU A 18 -15.757 -10.640 -14.220 1.00 2.31 C ATOM 244 CD2 LEU A 18 -14.984 -8.570 -13.048 1.00 12.51 C ATOM 0 H LEU A 18 -18.109 -7.888 -12.115 1.00 13.05 H new ATOM 0 HA LEU A 18 -19.225 -8.193 -14.745 1.00 44.32 H new ATOM 0 HB2 LEU A 18 -17.007 -8.826 -15.356 1.00 21.41 H new ATOM 0 HB3 LEU A 18 -16.872 -7.509 -14.207 1.00 21.41 H new ATOM 0 HG LEU A 18 -16.718 -9.711 -12.559 1.00 32.21 H new ATOM 0 HD11 LEU A 18 -15.076 -11.224 -13.601 1.00 2.31 H new ATOM 0 HD12 LEU A 18 -16.632 -11.242 -14.464 1.00 2.31 H new ATOM 0 HD13 LEU A 18 -15.250 -10.346 -15.139 1.00 2.31 H new ATOM 0 HD21 LEU A 18 -14.313 -9.183 -12.445 1.00 12.51 H new ATOM 0 HD22 LEU A 18 -14.458 -8.224 -13.938 1.00 12.51 H new ATOM 0 HD23 LEU A 18 -15.313 -7.710 -12.464 1.00 12.51 H new ATOM 256 N LYS A 19 -18.921 -10.790 -12.787 1.00 3.02 N ATOM 257 CA LYS A 19 -19.269 -12.197 -12.631 1.00 64.41 C ATOM 258 C LYS A 19 -20.782 -12.387 -12.629 1.00 51.34 C ATOM 259 O LYS A 19 -21.282 -13.467 -12.944 1.00 60.14 O ATOM 260 CB LYS A 19 -18.673 -12.751 -11.334 1.00 52.34 C ATOM 261 CG LYS A 19 -18.940 -14.231 -11.126 1.00 63.52 C ATOM 262 CD LYS A 19 -18.010 -14.824 -10.081 1.00 4.22 C ATOM 263 CE LYS A 19 -18.716 -15.873 -9.236 1.00 54.21 C ATOM 264 NZ LYS A 19 -18.362 -15.755 -7.794 1.00 54.35 N ATOM 0 H LYS A 19 -18.592 -10.340 -11.933 1.00 3.02 H new ATOM 0 HA LYS A 19 -18.853 -12.744 -13.477 1.00 64.41 H new ATOM 0 HB2 LYS A 19 -17.596 -12.582 -11.337 1.00 52.34 H new ATOM 0 HB3 LYS A 19 -19.081 -12.195 -10.490 1.00 52.34 H new ATOM 0 HG2 LYS A 19 -19.975 -14.375 -10.817 1.00 63.52 H new ATOM 0 HG3 LYS A 19 -18.813 -14.761 -12.070 1.00 63.52 H new ATOM 0 HD2 LYS A 19 -17.147 -15.273 -10.573 1.00 4.22 H new ATOM 0 HD3 LYS A 19 -17.632 -14.030 -9.436 1.00 4.22 H new ATOM 0 HE2 LYS A 19 -19.795 -15.769 -9.355 1.00 54.21 H new ATOM 0 HE3 LYS A 19 -18.450 -16.867 -9.595 1.00 54.21 H new ATOM 0 HZ1 LYS A 19 -18.864 -16.487 -7.252 1.00 54.35 H new ATOM 0 HZ2 LYS A 19 -17.336 -15.879 -7.677 1.00 54.35 H new ATOM 0 HZ3 LYS A 19 -18.639 -14.815 -7.444 1.00 54.35 H new ATOM 278 N ILE A 20 -21.506 -11.330 -12.274 1.00 65.25 N ATOM 279 CA ILE A 20 -22.962 -11.381 -12.235 1.00 3.40 C ATOM 280 C ILE A 20 -23.567 -10.786 -13.502 1.00 1.31 C ATOM 281 O ILE A 20 -24.692 -11.115 -13.879 1.00 23.24 O ATOM 282 CB ILE A 20 -23.518 -10.628 -11.012 1.00 30.34 C ATOM 283 CG1 ILE A 20 -24.998 -10.961 -10.810 1.00 63.42 C ATOM 284 CG2 ILE A 20 -23.325 -9.129 -11.179 1.00 51.43 C ATOM 285 CD1 ILE A 20 -25.352 -11.299 -9.379 1.00 1.42 C ATOM 0 H ILE A 20 -21.108 -10.429 -12.010 1.00 65.25 H new ATOM 0 HA ILE A 20 -23.240 -12.433 -12.162 1.00 3.40 H new ATOM 0 HB ILE A 20 -22.969 -10.948 -10.127 1.00 30.34 H new ATOM 0 HG12 ILE A 20 -25.600 -10.112 -11.134 1.00 63.42 H new ATOM 0 HG13 ILE A 20 -25.263 -11.803 -11.450 1.00 63.42 H new ATOM 0 HG21 ILE A 20 -23.723 -8.611 -10.306 1.00 51.43 H new ATOM 0 HG22 ILE A 20 -22.262 -8.908 -11.278 1.00 51.43 H new ATOM 0 HG23 ILE A 20 -23.851 -8.792 -12.072 1.00 51.43 H new ATOM 0 HD11 ILE A 20 -26.416 -11.524 -9.311 1.00 1.42 H new ATOM 0 HD12 ILE A 20 -24.776 -12.167 -9.057 1.00 1.42 H new ATOM 0 HD13 ILE A 20 -25.119 -10.450 -8.736 1.00 1.42 H new ATOM 297 N ARG A 21 -22.812 -9.909 -14.156 1.00 54.22 N ATOM 298 CA ARG A 21 -23.274 -9.268 -15.382 1.00 31.22 C ATOM 299 C ARG A 21 -22.863 -10.079 -16.607 1.00 61.02 C ATOM 300 O ARG A 21 -23.631 -10.220 -17.559 1.00 14.42 O ATOM 301 CB ARG A 21 -22.712 -7.849 -15.484 1.00 23.13 C ATOM 302 CG ARG A 21 -23.115 -7.124 -16.757 1.00 61.34 C ATOM 303 CD ARG A 21 -24.591 -6.758 -16.747 1.00 22.52 C ATOM 304 NE ARG A 21 -24.918 -5.835 -15.664 1.00 10.21 N ATOM 305 CZ ARG A 21 -26.069 -5.177 -15.582 1.00 11.12 C ATOM 306 NH1 ARG A 21 -26.998 -5.340 -16.514 1.00 21.44 N ATOM 307 NH2 ARG A 21 -26.293 -4.354 -14.566 1.00 10.45 N ATOM 0 H ARG A 21 -21.878 -9.626 -13.858 1.00 54.22 H new ATOM 0 HA ARG A 21 -24.362 -9.218 -15.349 1.00 31.22 H new ATOM 0 HB2 ARG A 21 -23.050 -7.271 -14.624 1.00 23.13 H new ATOM 0 HB3 ARG A 21 -21.624 -7.893 -15.430 1.00 23.13 H new ATOM 0 HG2 ARG A 21 -22.516 -6.220 -16.867 1.00 61.34 H new ATOM 0 HG3 ARG A 21 -22.902 -7.755 -17.620 1.00 61.34 H new ATOM 0 HD2 ARG A 21 -24.859 -6.306 -17.702 1.00 22.52 H new ATOM 0 HD3 ARG A 21 -25.189 -7.664 -16.644 1.00 22.52 H new ATOM 0 HE ARG A 21 -24.225 -5.687 -14.930 1.00 10.21 H new ATOM 0 HH11 ARG A 21 -26.830 -5.972 -17.297 1.00 21.44 H new ATOM 0 HH12 ARG A 21 -27.881 -4.833 -16.448 1.00 21.44 H new ATOM 0 HH21 ARG A 21 -25.581 -4.226 -13.847 1.00 10.45 H new ATOM 0 HH22 ARG A 21 -27.177 -3.849 -14.504 1.00 10.45 H new ATOM 321 N LYS A 22 -21.645 -10.610 -16.577 1.00 75.54 N ATOM 322 CA LYS A 22 -21.131 -11.408 -17.684 1.00 61.02 C ATOM 323 C LYS A 22 -21.154 -10.612 -18.985 1.00 62.02 C ATOM 324 O LYS A 22 -21.043 -11.177 -20.074 1.00 24.44 O ATOM 325 CB LYS A 22 -21.954 -12.689 -17.843 1.00 2.41 C ATOM 326 CG LYS A 22 -21.861 -13.623 -16.649 1.00 14.22 C ATOM 327 CD LYS A 22 -22.969 -14.663 -16.667 1.00 53.53 C ATOM 328 CE LYS A 22 -23.095 -15.367 -15.325 1.00 62.12 C ATOM 329 NZ LYS A 22 -23.857 -16.642 -15.437 1.00 11.51 N ATOM 0 H LYS A 22 -20.996 -10.502 -15.798 1.00 75.54 H new ATOM 0 HA LYS A 22 -20.098 -11.673 -17.458 1.00 61.02 H new ATOM 0 HB2 LYS A 22 -22.998 -12.422 -18.005 1.00 2.41 H new ATOM 0 HB3 LYS A 22 -21.618 -13.218 -18.735 1.00 2.41 H new ATOM 0 HG2 LYS A 22 -20.892 -14.122 -16.651 1.00 14.22 H new ATOM 0 HG3 LYS A 22 -21.919 -13.044 -15.727 1.00 14.22 H new ATOM 0 HD2 LYS A 22 -23.915 -14.184 -16.918 1.00 53.53 H new ATOM 0 HD3 LYS A 22 -22.767 -15.397 -17.447 1.00 53.53 H new ATOM 0 HE2 LYS A 22 -22.101 -15.572 -14.928 1.00 62.12 H new ATOM 0 HE3 LYS A 22 -23.593 -14.708 -14.614 1.00 62.12 H new ATOM 0 HZ1 LYS A 22 -23.921 -17.092 -14.501 1.00 11.51 H new ATOM 0 HZ2 LYS A 22 -24.814 -16.444 -15.792 1.00 11.51 H new ATOM 0 HZ3 LYS A 22 -23.369 -17.282 -16.096 1.00 11.51 H new ATOM 343 N THR A 23 -21.297 -9.296 -18.866 1.00 13.30 N ATOM 344 CA THR A 23 -21.334 -8.422 -20.032 1.00 72.20 C ATOM 345 C THR A 23 -20.271 -7.334 -19.938 1.00 1.03 C ATOM 346 O THR A 23 -20.382 -6.287 -20.575 1.00 41.40 O ATOM 347 CB THR A 23 -22.716 -7.761 -20.195 1.00 61.33 C ATOM 348 OG1 THR A 23 -23.742 -8.656 -19.753 1.00 75.32 O ATOM 349 CG2 THR A 23 -22.963 -7.375 -21.646 1.00 0.02 C ATOM 0 H THR A 23 -21.389 -8.812 -17.973 1.00 13.30 H new ATOM 0 HA THR A 23 -21.134 -9.047 -20.902 1.00 72.20 H new ATOM 0 HB THR A 23 -22.736 -6.857 -19.586 1.00 61.33 H new ATOM 0 HG1 THR A 23 -23.400 -9.209 -19.020 1.00 75.32 H new ATOM 0 HG21 THR A 23 -23.945 -6.910 -21.737 1.00 0.02 H new ATOM 0 HG22 THR A 23 -22.197 -6.671 -21.971 1.00 0.02 H new ATOM 0 HG23 THR A 23 -22.925 -8.267 -22.271 1.00 0.02 H new ATOM 357 N VAL A 24 -19.239 -7.589 -19.139 1.00 13.51 N ATOM 358 CA VAL A 24 -18.154 -6.631 -18.963 1.00 13.34 C ATOM 359 C VAL A 24 -18.650 -5.357 -18.287 1.00 41.03 C ATOM 360 O VAL A 24 -18.962 -4.369 -18.952 1.00 42.04 O ATOM 361 CB VAL A 24 -17.504 -6.265 -20.310 1.00 54.32 C ATOM 362 CG1 VAL A 24 -16.525 -5.114 -20.136 1.00 24.43 C ATOM 363 CG2 VAL A 24 -16.813 -7.478 -20.915 1.00 12.52 C ATOM 0 H VAL A 24 -19.132 -8.451 -18.604 1.00 13.51 H new ATOM 0 HA VAL A 24 -17.409 -7.110 -18.327 1.00 13.34 H new ATOM 0 HB VAL A 24 -18.287 -5.942 -20.996 1.00 54.32 H new ATOM 0 HG11 VAL A 24 -16.076 -4.870 -21.099 1.00 24.43 H new ATOM 0 HG12 VAL A 24 -17.053 -4.242 -19.750 1.00 24.43 H new ATOM 0 HG13 VAL A 24 -15.743 -5.404 -19.434 1.00 24.43 H new ATOM 0 HG21 VAL A 24 -16.359 -7.201 -21.867 1.00 12.52 H new ATOM 0 HG22 VAL A 24 -16.040 -7.834 -20.234 1.00 12.52 H new ATOM 0 HG23 VAL A 24 -17.544 -8.269 -21.079 1.00 12.52 H new ATOM 373 N LYS A 25 -18.720 -5.386 -16.961 1.00 21.13 N ATOM 374 CA LYS A 25 -19.176 -4.234 -16.193 1.00 1.34 C ATOM 375 C LYS A 25 -18.159 -3.099 -16.259 1.00 52.54 C ATOM 376 O LYS A 25 -18.435 -1.979 -15.827 1.00 75.45 O ATOM 377 CB LYS A 25 -19.418 -4.630 -14.735 1.00 34.24 C ATOM 378 CG LYS A 25 -20.090 -3.544 -13.912 1.00 51.15 C ATOM 379 CD LYS A 25 -21.588 -3.773 -13.803 1.00 72.04 C ATOM 380 CE LYS A 25 -22.250 -2.723 -12.924 1.00 51.14 C ATOM 381 NZ LYS A 25 -23.633 -3.116 -12.536 1.00 61.21 N ATOM 0 H LYS A 25 -18.466 -6.196 -16.395 1.00 21.13 H new ATOM 0 HA LYS A 25 -20.112 -3.886 -16.629 1.00 1.34 H new ATOM 0 HB2 LYS A 25 -20.035 -5.528 -14.709 1.00 34.24 H new ATOM 0 HB3 LYS A 25 -18.464 -4.886 -14.274 1.00 34.24 H new ATOM 0 HG2 LYS A 25 -19.651 -3.518 -12.914 1.00 51.15 H new ATOM 0 HG3 LYS A 25 -19.902 -2.572 -14.368 1.00 51.15 H new ATOM 0 HD2 LYS A 25 -22.034 -3.750 -14.797 1.00 72.04 H new ATOM 0 HD3 LYS A 25 -21.777 -4.765 -13.392 1.00 72.04 H new ATOM 0 HE2 LYS A 25 -21.651 -2.570 -12.026 1.00 51.14 H new ATOM 0 HE3 LYS A 25 -22.278 -1.771 -13.454 1.00 51.14 H new ATOM 0 HZ1 LYS A 25 -24.068 -2.352 -11.980 1.00 61.21 H new ATOM 0 HZ2 LYS A 25 -24.199 -3.287 -13.392 1.00 61.21 H new ATOM 0 HZ3 LYS A 25 -23.600 -3.984 -11.964 1.00 61.21 H new ATOM 395 N TRP A 26 -16.985 -3.394 -16.804 1.00 24.11 N ATOM 396 CA TRP A 26 -15.927 -2.397 -16.928 1.00 54.03 C ATOM 397 C TRP A 26 -15.710 -1.666 -15.608 1.00 31.52 C ATOM 398 O TRP A 26 -16.216 -0.562 -15.409 1.00 11.41 O ATOM 399 CB TRP A 26 -16.272 -1.393 -18.030 1.00 22.31 C ATOM 400 CG TRP A 26 -15.434 -0.151 -17.985 1.00 71.41 C ATOM 401 CD1 TRP A 26 -14.099 -0.053 -18.254 1.00 62.35 C ATOM 402 CD2 TRP A 26 -15.876 1.168 -17.649 1.00 4.41 C ATOM 403 NE1 TRP A 26 -13.684 1.248 -18.106 1.00 4.11 N ATOM 404 CE2 TRP A 26 -14.755 2.017 -17.736 1.00 1.42 C ATOM 405 CE3 TRP A 26 -17.109 1.716 -17.285 1.00 44.10 C ATOM 406 CZ2 TRP A 26 -14.833 3.382 -17.471 1.00 2.03 C ATOM 407 CZ3 TRP A 26 -17.184 3.071 -17.022 1.00 33.41 C ATOM 408 CH2 TRP A 26 -16.053 3.891 -17.116 1.00 45.45 C ATOM 0 H TRP A 26 -16.741 -4.315 -17.167 1.00 24.11 H new ATOM 0 HA TRP A 26 -15.004 -2.914 -17.191 1.00 54.03 H new ATOM 0 HB2 TRP A 26 -16.147 -1.872 -19.001 1.00 22.31 H new ATOM 0 HB3 TRP A 26 -17.323 -1.117 -17.944 1.00 22.31 H new ATOM 0 HD1 TRP A 26 -13.463 -0.877 -18.541 1.00 62.35 H new ATOM 0 HE1 TRP A 26 -12.732 1.586 -18.249 1.00 4.11 H new ATOM 0 HE3 TRP A 26 -17.987 1.092 -17.211 1.00 44.10 H new ATOM 0 HZ2 TRP A 26 -13.962 4.016 -17.543 1.00 2.03 H new ATOM 0 HZ3 TRP A 26 -18.132 3.505 -16.739 1.00 33.41 H new ATOM 0 HH2 TRP A 26 -16.145 4.946 -16.904 1.00 45.45 H new ATOM 419 N ILE A 27 -14.955 -2.289 -14.709 1.00 72.52 N ATOM 420 CA ILE A 27 -14.671 -1.697 -13.408 1.00 43.44 C ATOM 421 C ILE A 27 -13.174 -1.468 -13.224 1.00 33.22 C ATOM 422 O ILE A 27 -12.366 -2.371 -13.441 1.00 30.12 O ATOM 423 CB ILE A 27 -15.189 -2.583 -12.260 1.00 42.13 C ATOM 424 CG1 ILE A 27 -16.289 -3.519 -12.766 1.00 1.43 C ATOM 425 CG2 ILE A 27 -15.703 -1.721 -11.117 1.00 22.34 C ATOM 426 CD1 ILE A 27 -15.766 -4.838 -13.289 1.00 75.21 C ATOM 0 H ILE A 27 -14.529 -3.204 -14.858 1.00 72.52 H new ATOM 0 HA ILE A 27 -15.190 -0.739 -13.377 1.00 43.44 H new ATOM 0 HB ILE A 27 -14.364 -3.191 -11.888 1.00 42.13 H new ATOM 0 HG12 ILE A 27 -16.992 -3.712 -11.956 1.00 1.43 H new ATOM 0 HG13 ILE A 27 -16.845 -3.018 -13.558 1.00 1.43 H new ATOM 0 HG21 ILE A 27 -16.066 -2.361 -10.313 1.00 22.34 H new ATOM 0 HG22 ILE A 27 -14.895 -1.092 -10.743 1.00 22.34 H new ATOM 0 HG23 ILE A 27 -16.517 -1.091 -11.474 1.00 22.34 H new ATOM 0 HD11 ILE A 27 -16.600 -5.451 -13.631 1.00 75.21 H new ATOM 0 HD12 ILE A 27 -15.085 -4.656 -14.121 1.00 75.21 H new ATOM 0 HD13 ILE A 27 -15.235 -5.360 -12.493 1.00 75.21 H new ATOM 438 N VAL A 28 -12.812 -0.255 -12.820 1.00 2.23 N ATOM 439 CA VAL A 28 -11.413 0.092 -12.602 1.00 45.35 C ATOM 440 C VAL A 28 -11.116 0.275 -11.118 1.00 43.33 C ATOM 441 O VAL A 28 -11.491 1.283 -10.519 1.00 3.22 O ATOM 442 CB VAL A 28 -11.031 1.382 -13.354 1.00 21.42 C ATOM 443 CG1 VAL A 28 -9.623 1.820 -12.982 1.00 23.24 C ATOM 444 CG2 VAL A 28 -11.155 1.179 -14.856 1.00 74.23 C ATOM 0 H VAL A 28 -13.468 0.504 -12.637 1.00 2.23 H new ATOM 0 HA VAL A 28 -10.818 -0.735 -12.989 1.00 45.35 H new ATOM 0 HB VAL A 28 -11.721 2.172 -13.059 1.00 21.42 H new ATOM 0 HG11 VAL A 28 -9.371 2.732 -13.523 1.00 23.24 H new ATOM 0 HG12 VAL A 28 -9.572 2.008 -11.910 1.00 23.24 H new ATOM 0 HG13 VAL A 28 -8.916 1.034 -13.247 1.00 23.24 H new ATOM 0 HG21 VAL A 28 -10.882 2.100 -15.371 1.00 74.23 H new ATOM 0 HG22 VAL A 28 -10.489 0.375 -15.171 1.00 74.23 H new ATOM 0 HG23 VAL A 28 -12.183 0.916 -15.104 1.00 74.23 H new ATOM 454 N PHE A 29 -10.439 -0.706 -10.531 1.00 13.05 N ATOM 455 CA PHE A 29 -10.092 -0.654 -9.115 1.00 41.02 C ATOM 456 C PHE A 29 -8.701 -0.059 -8.918 1.00 64.02 C ATOM 457 O PHE A 29 -7.737 -0.478 -9.560 1.00 2.04 O ATOM 458 CB PHE A 29 -10.151 -2.055 -8.502 1.00 15.52 C ATOM 459 CG PHE A 29 -9.236 -3.041 -9.169 1.00 52.34 C ATOM 460 CD1 PHE A 29 -7.932 -3.202 -8.731 1.00 44.41 C ATOM 461 CD2 PHE A 29 -9.680 -3.807 -10.235 1.00 34.24 C ATOM 462 CE1 PHE A 29 -7.087 -4.108 -9.344 1.00 52.22 C ATOM 463 CE2 PHE A 29 -8.841 -4.715 -10.851 1.00 64.45 C ATOM 464 CZ PHE A 29 -7.543 -4.867 -10.405 1.00 4.52 C ATOM 0 H PHE A 29 -10.120 -1.546 -11.013 1.00 13.05 H new ATOM 0 HA PHE A 29 -10.817 -0.014 -8.612 1.00 41.02 H new ATOM 0 HB2 PHE A 29 -9.894 -1.991 -7.445 1.00 15.52 H new ATOM 0 HB3 PHE A 29 -11.175 -2.425 -8.560 1.00 15.52 H new ATOM 0 HD1 PHE A 29 -7.571 -2.613 -7.901 1.00 44.41 H new ATOM 0 HD2 PHE A 29 -10.694 -3.693 -10.588 1.00 34.24 H new ATOM 0 HE1 PHE A 29 -6.072 -4.223 -8.994 1.00 52.22 H new ATOM 0 HE2 PHE A 29 -9.200 -5.306 -11.681 1.00 64.45 H new ATOM 0 HZ PHE A 29 -6.886 -5.577 -10.884 1.00 4.52 H new ATOM 474 N LYS A 30 -8.604 0.921 -8.027 1.00 1.34 N ATOM 475 CA LYS A 30 -7.332 1.575 -7.743 1.00 0.23 C ATOM 476 C LYS A 30 -6.846 1.233 -6.338 1.00 63.11 C ATOM 477 O LYS A 30 -7.588 1.366 -5.365 1.00 11.33 O ATOM 478 CB LYS A 30 -7.471 3.092 -7.890 1.00 43.13 C ATOM 479 CG LYS A 30 -6.327 3.871 -7.264 1.00 14.34 C ATOM 480 CD LYS A 30 -6.835 4.911 -6.279 1.00 12.22 C ATOM 481 CE LYS A 30 -6.231 4.713 -4.897 1.00 64.44 C ATOM 482 NZ LYS A 30 -5.204 5.746 -4.587 1.00 55.31 N ATOM 0 H LYS A 30 -9.392 1.281 -7.488 1.00 1.34 H new ATOM 0 HA LYS A 30 -6.597 1.212 -8.461 1.00 0.23 H new ATOM 0 HB2 LYS A 30 -7.533 3.342 -8.949 1.00 43.13 H new ATOM 0 HB3 LYS A 30 -8.408 3.409 -7.433 1.00 43.13 H new ATOM 0 HG2 LYS A 30 -5.653 3.183 -6.753 1.00 14.34 H new ATOM 0 HG3 LYS A 30 -5.748 4.362 -8.047 1.00 14.34 H new ATOM 0 HD2 LYS A 30 -6.591 5.909 -6.644 1.00 12.22 H new ATOM 0 HD3 LYS A 30 -7.921 4.852 -6.214 1.00 12.22 H new ATOM 0 HE2 LYS A 30 -7.021 4.750 -4.147 1.00 64.44 H new ATOM 0 HE3 LYS A 30 -5.780 3.723 -4.836 1.00 64.44 H new ATOM 0 HZ1 LYS A 30 -5.184 5.918 -3.562 1.00 55.31 H new ATOM 0 HZ2 LYS A 30 -4.270 5.412 -4.901 1.00 55.31 H new ATOM 0 HZ3 LYS A 30 -5.440 6.630 -5.082 1.00 55.31 H new ATOM 496 N ILE A 31 -5.596 0.793 -6.240 1.00 42.14 N ATOM 497 CA ILE A 31 -5.011 0.435 -4.954 1.00 61.33 C ATOM 498 C ILE A 31 -4.344 1.639 -4.299 1.00 12.32 C ATOM 499 O ILE A 31 -3.293 2.097 -4.744 1.00 43.34 O ATOM 500 CB ILE A 31 -3.974 -0.694 -5.102 1.00 62.24 C ATOM 501 CG1 ILE A 31 -2.988 -0.366 -6.225 1.00 63.34 C ATOM 502 CG2 ILE A 31 -4.669 -2.020 -5.371 1.00 73.44 C ATOM 503 CD1 ILE A 31 -1.547 -0.661 -5.870 1.00 32.12 C ATOM 0 H ILE A 31 -4.969 0.676 -7.036 1.00 42.14 H new ATOM 0 HA ILE A 31 -5.828 0.087 -4.322 1.00 61.33 H new ATOM 0 HB ILE A 31 -3.418 -0.781 -4.169 1.00 62.24 H new ATOM 0 HG12 ILE A 31 -3.259 -0.937 -7.113 1.00 63.34 H new ATOM 0 HG13 ILE A 31 -3.081 0.689 -6.483 1.00 63.34 H new ATOM 0 HG21 ILE A 31 -3.923 -2.808 -5.473 1.00 73.44 H new ATOM 0 HG22 ILE A 31 -5.335 -2.257 -4.541 1.00 73.44 H new ATOM 0 HG23 ILE A 31 -5.248 -1.947 -6.292 1.00 73.44 H new ATOM 0 HD11 ILE A 31 -0.905 -0.404 -6.713 1.00 32.12 H new ATOM 0 HD12 ILE A 31 -1.258 -0.070 -5.001 1.00 32.12 H new ATOM 0 HD13 ILE A 31 -1.438 -1.721 -5.641 1.00 32.12 H new ATOM 515 N GLU A 32 -4.963 2.146 -3.237 1.00 0.30 N ATOM 516 CA GLU A 32 -4.428 3.298 -2.519 1.00 72.54 C ATOM 517 C GLU A 32 -3.315 2.875 -1.565 1.00 31.30 C ATOM 518 O GLU A 32 -2.796 1.763 -1.654 1.00 45.24 O ATOM 519 CB GLU A 32 -5.541 4.004 -1.742 1.00 22.22 C ATOM 520 CG GLU A 32 -6.009 3.236 -0.517 1.00 53.02 C ATOM 521 CD GLU A 32 -7.048 3.995 0.285 1.00 54.11 C ATOM 522 OE1 GLU A 32 -8.103 4.342 -0.287 1.00 1.13 O ATOM 523 OE2 GLU A 32 -6.806 4.242 1.485 1.00 34.21 O ATOM 0 H GLU A 32 -5.834 1.778 -2.855 1.00 0.30 H new ATOM 0 HA GLU A 32 -4.011 3.990 -3.251 1.00 72.54 H new ATOM 0 HB2 GLU A 32 -5.188 4.987 -1.431 1.00 22.22 H new ATOM 0 HB3 GLU A 32 -6.390 4.165 -2.406 1.00 22.22 H new ATOM 0 HG2 GLU A 32 -6.425 2.279 -0.830 1.00 53.02 H new ATOM 0 HG3 GLU A 32 -5.152 3.018 0.120 1.00 53.02 H new ATOM 530 N ASN A 33 -2.954 3.771 -0.652 1.00 34.30 N ATOM 531 CA ASN A 33 -1.902 3.492 0.319 1.00 73.32 C ATOM 532 C ASN A 33 -2.326 2.383 1.277 1.00 74.41 C ATOM 533 O ASN A 33 -3.124 2.605 2.189 1.00 43.03 O ATOM 534 CB ASN A 33 -1.558 4.757 1.106 1.00 2.35 C ATOM 535 CG ASN A 33 -0.979 5.847 0.225 1.00 11.30 C ATOM 536 OD1 ASN A 33 -0.054 5.608 -0.551 1.00 61.50 O ATOM 537 ND2 ASN A 33 -1.523 7.053 0.342 1.00 41.15 N ATOM 0 H ASN A 33 -3.374 4.696 -0.564 1.00 34.30 H new ATOM 0 HA ASN A 33 -1.018 3.159 -0.225 1.00 73.32 H new ATOM 0 HB2 ASN A 33 -2.456 5.130 1.599 1.00 2.35 H new ATOM 0 HB3 ASN A 33 -0.843 4.510 1.891 1.00 2.35 H new ATOM 0 HD21 ASN A 33 -1.175 7.826 -0.225 1.00 41.15 H new ATOM 0 HD22 ASN A 33 -2.289 7.206 0.999 1.00 41.15 H new ATOM 544 N THR A 34 -1.787 1.186 1.064 1.00 11.14 N ATOM 545 CA THR A 34 -2.109 0.042 1.908 1.00 72.04 C ATOM 546 C THR A 34 -3.615 -0.182 1.979 1.00 54.11 C ATOM 547 O THR A 34 -4.178 -0.352 3.061 1.00 61.12 O ATOM 548 CB THR A 34 -1.561 0.224 3.335 1.00 4.34 C ATOM 549 OG1 THR A 34 -0.558 1.246 3.348 1.00 3.21 O ATOM 550 CG2 THR A 34 -0.972 -1.077 3.859 1.00 34.14 C ATOM 0 H THR A 34 -1.126 0.984 0.314 1.00 11.14 H new ATOM 0 HA THR A 34 -1.636 -0.828 1.454 1.00 72.04 H new ATOM 0 HB THR A 34 -2.387 0.517 3.983 1.00 4.34 H new ATOM 0 HG1 THR A 34 -0.216 1.357 4.260 1.00 3.21 H new ATOM 0 HG21 THR A 34 -0.591 -0.923 4.869 1.00 34.14 H new ATOM 0 HG22 THR A 34 -1.745 -1.846 3.876 1.00 34.14 H new ATOM 0 HG23 THR A 34 -0.157 -1.396 3.209 1.00 34.14 H new ATOM 558 N LYS A 35 -4.264 -0.181 0.820 1.00 74.35 N ATOM 559 CA LYS A 35 -5.706 -0.386 0.749 1.00 33.32 C ATOM 560 C LYS A 35 -6.188 -0.374 -0.698 1.00 44.02 C ATOM 561 O LYS A 35 -5.596 0.286 -1.553 1.00 62.21 O ATOM 562 CB LYS A 35 -6.436 0.695 1.550 1.00 44.14 C ATOM 563 CG LYS A 35 -7.945 0.657 1.388 1.00 34.24 C ATOM 564 CD LYS A 35 -8.542 -0.589 2.021 1.00 33.11 C ATOM 565 CE LYS A 35 -8.424 -0.556 3.537 1.00 1.32 C ATOM 566 NZ LYS A 35 -7.876 -1.830 4.079 1.00 72.11 N ATOM 0 H LYS A 35 -3.814 -0.040 -0.084 1.00 74.35 H new ATOM 0 HA LYS A 35 -5.930 -1.362 1.179 1.00 33.32 H new ATOM 0 HB2 LYS A 35 -6.189 0.582 2.606 1.00 44.14 H new ATOM 0 HB3 LYS A 35 -6.070 1.674 1.240 1.00 44.14 H new ATOM 0 HG2 LYS A 35 -8.383 1.544 1.845 1.00 34.24 H new ATOM 0 HG3 LYS A 35 -8.199 0.685 0.328 1.00 34.24 H new ATOM 0 HD2 LYS A 35 -9.591 -0.675 1.739 1.00 33.11 H new ATOM 0 HD3 LYS A 35 -8.035 -1.473 1.635 1.00 33.11 H new ATOM 0 HE2 LYS A 35 -7.779 0.272 3.833 1.00 1.32 H new ATOM 0 HE3 LYS A 35 -9.405 -0.368 3.974 1.00 1.32 H new ATOM 0 HZ1 LYS A 35 -7.811 -1.767 5.115 1.00 72.11 H new ATOM 0 HZ2 LYS A 35 -8.504 -2.617 3.818 1.00 72.11 H new ATOM 0 HZ3 LYS A 35 -6.929 -1.997 3.682 1.00 72.11 H new ATOM 580 N ILE A 36 -7.264 -1.106 -0.965 1.00 51.41 N ATOM 581 CA ILE A 36 -7.825 -1.176 -2.308 1.00 55.15 C ATOM 582 C ILE A 36 -9.177 -0.474 -2.377 1.00 13.42 C ATOM 583 O ILE A 36 -9.950 -0.497 -1.419 1.00 12.41 O ATOM 584 CB ILE A 36 -7.993 -2.635 -2.773 1.00 15.32 C ATOM 585 CG1 ILE A 36 -6.630 -3.321 -2.875 1.00 44.51 C ATOM 586 CG2 ILE A 36 -8.719 -2.685 -4.109 1.00 12.00 C ATOM 587 CD1 ILE A 36 -6.640 -4.759 -2.409 1.00 33.53 C ATOM 0 H ILE A 36 -7.765 -1.659 -0.269 1.00 51.41 H new ATOM 0 HA ILE A 36 -7.122 -0.671 -2.970 1.00 55.15 H new ATOM 0 HB ILE A 36 -8.593 -3.169 -2.036 1.00 15.32 H new ATOM 0 HG12 ILE A 36 -6.291 -3.286 -3.910 1.00 44.51 H new ATOM 0 HG13 ILE A 36 -5.906 -2.761 -2.283 1.00 44.51 H new ATOM 0 HG21 ILE A 36 -8.830 -3.723 -4.424 1.00 12.00 H new ATOM 0 HG22 ILE A 36 -9.704 -2.230 -4.005 1.00 12.00 H new ATOM 0 HG23 ILE A 36 -8.144 -2.138 -4.856 1.00 12.00 H new ATOM 0 HD11 ILE A 36 -5.640 -5.181 -2.510 1.00 33.53 H new ATOM 0 HD12 ILE A 36 -6.948 -4.801 -1.364 1.00 33.53 H new ATOM 0 HD13 ILE A 36 -7.339 -5.333 -3.016 1.00 33.53 H new ATOM 599 N VAL A 37 -9.457 0.150 -3.517 1.00 74.51 N ATOM 600 CA VAL A 37 -10.718 0.856 -3.713 1.00 5.44 C ATOM 601 C VAL A 37 -11.135 0.840 -5.179 1.00 12.13 C ATOM 602 O VAL A 37 -10.389 0.380 -6.043 1.00 20.21 O ATOM 603 CB VAL A 37 -10.622 2.317 -3.234 1.00 2.14 C ATOM 604 CG1 VAL A 37 -10.767 2.394 -1.721 1.00 42.04 C ATOM 605 CG2 VAL A 37 -9.309 2.940 -3.684 1.00 11.10 C ATOM 0 H VAL A 37 -8.827 0.181 -4.319 1.00 74.51 H new ATOM 0 HA VAL A 37 -11.469 0.334 -3.119 1.00 5.44 H new ATOM 0 HB VAL A 37 -11.439 2.882 -3.683 1.00 2.14 H new ATOM 0 HG11 VAL A 37 -10.697 3.434 -1.401 1.00 42.04 H new ATOM 0 HG12 VAL A 37 -11.735 1.989 -1.427 1.00 42.04 H new ATOM 0 HG13 VAL A 37 -9.973 1.815 -1.249 1.00 42.04 H new ATOM 0 HG21 VAL A 37 -9.258 3.972 -3.337 1.00 11.10 H new ATOM 0 HG22 VAL A 37 -8.476 2.375 -3.266 1.00 11.10 H new ATOM 0 HG23 VAL A 37 -9.251 2.920 -4.772 1.00 11.10 H new ATOM 615 N VAL A 38 -12.333 1.346 -5.453 1.00 13.43 N ATOM 616 CA VAL A 38 -12.851 1.392 -6.815 1.00 63.11 C ATOM 617 C VAL A 38 -12.864 2.819 -7.350 1.00 51.35 C ATOM 618 O VAL A 38 -13.133 3.766 -6.612 1.00 42.44 O ATOM 619 CB VAL A 38 -14.275 0.812 -6.894 1.00 55.31 C ATOM 620 CG1 VAL A 38 -15.123 1.318 -5.737 1.00 0.51 C ATOM 621 CG2 VAL A 38 -14.918 1.160 -8.228 1.00 73.44 C ATOM 0 H VAL A 38 -12.963 1.730 -4.749 1.00 13.43 H new ATOM 0 HA VAL A 38 -12.185 0.784 -7.427 1.00 63.11 H new ATOM 0 HB VAL A 38 -14.211 -0.274 -6.819 1.00 55.31 H new ATOM 0 HG11 VAL A 38 -16.126 0.897 -5.810 1.00 0.51 H new ATOM 0 HG12 VAL A 38 -14.670 1.014 -4.793 1.00 0.51 H new ATOM 0 HG13 VAL A 38 -15.182 2.406 -5.777 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -15.924 0.742 -8.267 1.00 73.44 H new ATOM 0 HG22 VAL A 38 -14.971 2.243 -8.335 1.00 73.44 H new ATOM 0 HG23 VAL A 38 -14.321 0.744 -9.039 1.00 73.44 H new ATOM 631 N GLU A 39 -12.573 2.965 -8.639 1.00 65.03 N ATOM 632 CA GLU A 39 -12.551 4.278 -9.273 1.00 61.12 C ATOM 633 C GLU A 39 -13.688 4.414 -10.281 1.00 54.23 C ATOM 634 O GLU A 39 -14.374 5.436 -10.327 1.00 33.42 O ATOM 635 CB GLU A 39 -11.208 4.511 -9.969 1.00 10.15 C ATOM 636 CG GLU A 39 -10.036 4.622 -9.008 1.00 32.14 C ATOM 637 CD GLU A 39 -9.870 6.022 -8.449 1.00 62.14 C ATOM 638 OE1 GLU A 39 -10.141 6.991 -9.189 1.00 62.02 O ATOM 639 OE2 GLU A 39 -9.469 6.149 -7.274 1.00 23.33 O ATOM 0 H GLU A 39 -12.349 2.191 -9.264 1.00 65.03 H new ATOM 0 HA GLU A 39 -12.685 5.030 -8.496 1.00 61.12 H new ATOM 0 HB2 GLU A 39 -11.021 3.692 -10.664 1.00 10.15 H new ATOM 0 HB3 GLU A 39 -11.269 5.424 -10.562 1.00 10.15 H new ATOM 0 HG2 GLU A 39 -10.178 3.921 -8.186 1.00 32.14 H new ATOM 0 HG3 GLU A 39 -9.121 4.329 -9.522 1.00 32.14 H new ATOM 646 N LYS A 40 -13.883 3.377 -11.089 1.00 4.10 N ATOM 647 CA LYS A 40 -14.936 3.378 -12.097 1.00 13.33 C ATOM 648 C LYS A 40 -15.842 2.161 -11.938 1.00 51.32 C ATOM 649 O LYS A 40 -15.599 1.300 -11.092 1.00 44.54 O ATOM 650 CB LYS A 40 -14.328 3.395 -13.501 1.00 23.03 C ATOM 651 CG LYS A 40 -13.785 4.753 -13.912 1.00 62.53 C ATOM 652 CD LYS A 40 -12.312 4.676 -14.280 1.00 55.21 C ATOM 653 CE LYS A 40 -11.423 5.007 -13.091 1.00 71.53 C ATOM 654 NZ LYS A 40 -10.234 5.808 -13.494 1.00 30.42 N ATOM 0 H LYS A 40 -13.324 2.524 -11.065 1.00 4.10 H new ATOM 0 HA LYS A 40 -15.536 4.277 -11.958 1.00 13.33 H new ATOM 0 HB2 LYS A 40 -13.523 2.662 -13.548 1.00 23.03 H new ATOM 0 HB3 LYS A 40 -15.086 3.083 -14.220 1.00 23.03 H new ATOM 0 HG2 LYS A 40 -14.354 5.132 -14.761 1.00 62.53 H new ATOM 0 HG3 LYS A 40 -13.921 5.462 -13.096 1.00 62.53 H new ATOM 0 HD2 LYS A 40 -12.078 3.675 -14.643 1.00 55.21 H new ATOM 0 HD3 LYS A 40 -12.103 5.368 -15.096 1.00 55.21 H new ATOM 0 HE2 LYS A 40 -11.999 5.560 -12.349 1.00 71.53 H new ATOM 0 HE3 LYS A 40 -11.094 4.083 -12.615 1.00 71.53 H new ATOM 0 HZ1 LYS A 40 -9.736 6.142 -12.644 1.00 30.42 H new ATOM 0 HZ2 LYS A 40 -9.593 5.217 -14.061 1.00 30.42 H new ATOM 0 HZ3 LYS A 40 -10.541 6.625 -14.059 1.00 30.42 H new ATOM 668 N ASP A 41 -16.886 2.096 -12.757 1.00 62.24 N ATOM 669 CA ASP A 41 -17.826 0.982 -12.710 1.00 15.53 C ATOM 670 C ASP A 41 -18.981 1.204 -13.682 1.00 1.41 C ATOM 671 O ASP A 41 -19.102 2.270 -14.285 1.00 65.34 O ATOM 672 CB ASP A 41 -18.366 0.804 -11.290 1.00 33.51 C ATOM 673 CG ASP A 41 -18.678 2.126 -10.618 1.00 1.30 C ATOM 674 OD1 ASP A 41 -19.757 2.691 -10.893 1.00 31.04 O ATOM 675 OD2 ASP A 41 -17.842 2.597 -9.818 1.00 52.41 O ATOM 0 H ASP A 41 -17.103 2.801 -13.461 1.00 62.24 H new ATOM 0 HA ASP A 41 -17.295 0.077 -13.006 1.00 15.53 H new ATOM 0 HB2 ASP A 41 -19.269 0.194 -11.322 1.00 33.51 H new ATOM 0 HB3 ASP A 41 -17.635 0.260 -10.692 1.00 33.51 H new ATOM 680 N GLY A 42 -19.828 0.190 -13.829 1.00 63.21 N ATOM 681 CA GLY A 42 -20.961 0.294 -14.730 1.00 65.21 C ATOM 682 C GLY A 42 -20.813 -0.592 -15.951 1.00 74.22 C ATOM 683 O GLY A 42 -21.280 -1.731 -15.961 1.00 74.43 O ATOM 0 H GLY A 42 -19.750 -0.702 -13.340 1.00 63.21 H new ATOM 0 HA2 GLY A 42 -21.872 0.023 -14.196 1.00 65.21 H new ATOM 0 HA3 GLY A 42 -21.074 1.330 -15.048 1.00 65.21 H new ATOM 687 N LYS A 43 -20.164 -0.069 -16.985 1.00 42.33 N ATOM 688 CA LYS A 43 -19.956 -0.819 -18.218 1.00 51.32 C ATOM 689 C LYS A 43 -19.128 -0.012 -19.213 1.00 41.20 C ATOM 690 O LYS A 43 -19.165 1.218 -19.213 1.00 72.12 O ATOM 691 CB LYS A 43 -21.301 -1.194 -18.844 1.00 53.41 C ATOM 692 CG LYS A 43 -21.403 -2.658 -19.236 1.00 11.43 C ATOM 693 CD LYS A 43 -22.850 -3.113 -19.319 1.00 73.24 C ATOM 694 CE LYS A 43 -23.137 -4.243 -18.342 1.00 5.32 C ATOM 695 NZ LYS A 43 -23.283 -3.744 -16.946 1.00 74.52 N ATOM 0 H LYS A 43 -19.772 0.873 -16.994 1.00 42.33 H new ATOM 0 HA LYS A 43 -19.410 -1.730 -17.972 1.00 51.32 H new ATOM 0 HB2 LYS A 43 -22.098 -0.959 -18.139 1.00 53.41 H new ATOM 0 HB3 LYS A 43 -21.465 -0.578 -19.728 1.00 53.41 H new ATOM 0 HG2 LYS A 43 -20.916 -2.813 -20.199 1.00 11.43 H new ATOM 0 HG3 LYS A 43 -20.870 -3.269 -18.508 1.00 11.43 H new ATOM 0 HD2 LYS A 43 -23.510 -2.271 -19.107 1.00 73.24 H new ATOM 0 HD3 LYS A 43 -23.071 -3.444 -20.334 1.00 73.24 H new ATOM 0 HE2 LYS A 43 -24.050 -4.759 -18.641 1.00 5.32 H new ATOM 0 HE3 LYS A 43 -22.329 -4.974 -18.384 1.00 5.32 H new ATOM 0 HZ1 LYS A 43 -23.056 -4.509 -16.279 1.00 74.52 H new ATOM 0 HZ2 LYS A 43 -22.633 -2.946 -16.793 1.00 74.52 H new ATOM 0 HZ3 LYS A 43 -24.262 -3.428 -16.791 1.00 74.52 H new ATOM 709 N GLY A 44 -18.381 -0.713 -20.061 1.00 53.11 N ATOM 710 CA GLY A 44 -17.556 -0.045 -21.050 1.00 42.40 C ATOM 711 C GLY A 44 -16.345 -0.867 -21.446 1.00 13.42 C ATOM 712 O GLY A 44 -15.328 -0.857 -20.755 1.00 5.11 O ATOM 0 H GLY A 44 -18.333 -1.732 -20.080 1.00 53.11 H new ATOM 0 HA2 GLY A 44 -18.155 0.164 -21.936 1.00 42.40 H new ATOM 0 HA3 GLY A 44 -17.226 0.915 -20.654 1.00 42.40 H new ATOM 716 N ASN A 45 -16.456 -1.581 -22.561 1.00 32.52 N ATOM 717 CA ASN A 45 -15.362 -2.415 -23.046 1.00 53.13 C ATOM 718 C ASN A 45 -14.105 -1.582 -23.277 1.00 21.20 C ATOM 719 O ASN A 45 -13.970 -0.483 -22.742 1.00 4.55 O ATOM 720 CB ASN A 45 -15.767 -3.119 -24.343 1.00 44.33 C ATOM 721 CG ASN A 45 -17.174 -3.679 -24.282 1.00 74.14 C ATOM 722 OD1 ASN A 45 -17.494 -4.491 -23.414 1.00 72.44 O ATOM 723 ND2 ASN A 45 -18.024 -3.246 -25.207 1.00 63.51 N ATOM 0 H ASN A 45 -17.292 -1.599 -23.146 1.00 32.52 H new ATOM 0 HA ASN A 45 -15.144 -3.165 -22.286 1.00 53.13 H new ATOM 0 HB2 ASN A 45 -15.695 -2.416 -25.173 1.00 44.33 H new ATOM 0 HB3 ASN A 45 -15.066 -3.928 -24.548 1.00 44.33 H new ATOM 0 HD21 ASN A 45 -18.985 -3.587 -25.216 1.00 63.51 H new ATOM 0 HD22 ASN A 45 -17.715 -2.572 -25.908 1.00 63.51 H new ATOM 730 N ALA A 46 -13.188 -2.115 -24.078 1.00 40.42 N ATOM 731 CA ALA A 46 -11.943 -1.420 -24.382 1.00 71.02 C ATOM 732 C ALA A 46 -12.191 0.061 -24.647 1.00 14.25 C ATOM 733 O ALA A 46 -11.363 0.908 -24.313 1.00 44.41 O ATOM 734 CB ALA A 46 -11.258 -2.064 -25.578 1.00 40.04 C ATOM 0 H ALA A 46 -13.284 -3.025 -24.528 1.00 40.42 H new ATOM 0 HA ALA A 46 -11.289 -1.502 -23.514 1.00 71.02 H new ATOM 0 HB1 ALA A 46 -10.330 -1.535 -25.794 1.00 40.04 H new ATOM 0 HB2 ALA A 46 -11.037 -3.107 -25.353 1.00 40.04 H new ATOM 0 HB3 ALA A 46 -11.916 -2.012 -26.446 1.00 40.04 H new ATOM 740 N ASP A 47 -13.336 0.366 -25.248 1.00 10.23 N ATOM 741 CA ASP A 47 -13.693 1.746 -25.557 1.00 34.14 C ATOM 742 C ASP A 47 -13.544 2.635 -24.326 1.00 23.43 C ATOM 743 O ASP A 47 -12.918 3.693 -24.385 1.00 74.35 O ATOM 744 CB ASP A 47 -15.128 1.818 -26.082 1.00 11.23 C ATOM 745 CG ASP A 47 -15.385 0.829 -27.202 1.00 12.33 C ATOM 746 OD1 ASP A 47 -15.382 -0.390 -26.930 1.00 5.22 O ATOM 747 OD2 ASP A 47 -15.591 1.274 -28.350 1.00 10.51 O ATOM 0 H ASP A 47 -14.033 -0.323 -25.531 1.00 10.23 H new ATOM 0 HA ASP A 47 -13.013 2.107 -26.328 1.00 34.14 H new ATOM 0 HB2 ASP A 47 -15.821 1.624 -25.264 1.00 11.23 H new ATOM 0 HB3 ASP A 47 -15.331 2.828 -26.439 1.00 11.23 H new ATOM 752 N GLU A 48 -14.123 2.197 -23.212 1.00 3.00 N ATOM 753 CA GLU A 48 -14.055 2.955 -21.968 1.00 23.31 C ATOM 754 C GLU A 48 -12.762 2.651 -21.216 1.00 32.32 C ATOM 755 O GLU A 48 -12.097 3.556 -20.711 1.00 62.45 O ATOM 756 CB GLU A 48 -15.260 2.633 -21.083 1.00 15.35 C ATOM 757 CG GLU A 48 -16.567 3.213 -21.599 1.00 4.22 C ATOM 758 CD GLU A 48 -16.489 4.710 -21.830 1.00 72.22 C ATOM 759 OE1 GLU A 48 -16.783 5.473 -20.886 1.00 72.34 O ATOM 760 OE2 GLU A 48 -16.134 5.118 -22.956 1.00 31.20 O ATOM 0 H GLU A 48 -14.644 1.322 -23.146 1.00 3.00 H new ATOM 0 HA GLU A 48 -14.069 4.016 -22.217 1.00 23.31 H new ATOM 0 HB2 GLU A 48 -15.360 1.551 -21.000 1.00 15.35 H new ATOM 0 HB3 GLU A 48 -15.075 3.014 -20.079 1.00 15.35 H new ATOM 0 HG2 GLU A 48 -16.836 2.719 -22.532 1.00 4.22 H new ATOM 0 HG3 GLU A 48 -17.362 3.000 -20.884 1.00 4.22 H new ATOM 767 N PHE A 49 -12.413 1.370 -21.144 1.00 52.54 N ATOM 768 CA PHE A 49 -11.202 0.946 -20.453 1.00 24.21 C ATOM 769 C PHE A 49 -9.992 1.741 -20.936 1.00 54.20 C ATOM 770 O PHE A 49 -9.195 2.228 -20.134 1.00 33.32 O ATOM 771 CB PHE A 49 -10.962 -0.550 -20.670 1.00 55.24 C ATOM 772 CG PHE A 49 -9.658 -1.036 -20.108 1.00 24.34 C ATOM 773 CD1 PHE A 49 -9.464 -1.112 -18.738 1.00 1.23 C ATOM 774 CD2 PHE A 49 -8.625 -1.418 -20.949 1.00 5.45 C ATOM 775 CE1 PHE A 49 -8.265 -1.559 -18.217 1.00 25.35 C ATOM 776 CE2 PHE A 49 -7.423 -1.866 -20.433 1.00 72.31 C ATOM 777 CZ PHE A 49 -7.243 -1.936 -19.066 1.00 25.15 C ATOM 0 H PHE A 49 -12.952 0.608 -21.556 1.00 52.54 H new ATOM 0 HA PHE A 49 -11.337 1.135 -19.388 1.00 24.21 H new ATOM 0 HB2 PHE A 49 -11.777 -1.111 -20.212 1.00 55.24 H new ATOM 0 HB3 PHE A 49 -10.990 -0.763 -21.739 1.00 55.24 H new ATOM 0 HD1 PHE A 49 -10.260 -0.818 -18.069 1.00 1.23 H new ATOM 0 HD2 PHE A 49 -8.760 -1.365 -22.019 1.00 5.45 H new ATOM 0 HE1 PHE A 49 -8.127 -1.614 -17.147 1.00 25.35 H new ATOM 0 HE2 PHE A 49 -6.625 -2.161 -21.099 1.00 72.31 H new ATOM 0 HZ PHE A 49 -6.305 -2.285 -18.661 1.00 25.15 H new ATOM 787 N ARG A 50 -9.863 1.868 -22.253 1.00 1.34 N ATOM 788 CA ARG A 50 -8.751 2.603 -22.844 1.00 23.45 C ATOM 789 C ARG A 50 -8.734 4.049 -22.357 1.00 31.32 C ATOM 790 O ARG A 50 -7.684 4.688 -22.314 1.00 21.01 O ATOM 791 CB ARG A 50 -8.843 2.568 -24.370 1.00 42.12 C ATOM 792 CG ARG A 50 -9.966 3.424 -24.932 1.00 42.51 C ATOM 793 CD ARG A 50 -9.433 4.709 -25.547 1.00 4.24 C ATOM 794 NE ARG A 50 -10.485 5.478 -26.206 1.00 44.12 N ATOM 795 CZ ARG A 50 -10.255 6.573 -26.922 1.00 54.05 C ATOM 796 NH1 ARG A 50 -9.018 7.025 -27.071 1.00 62.12 N ATOM 797 NH2 ARG A 50 -11.265 7.218 -27.492 1.00 53.03 N ATOM 0 H ARG A 50 -10.514 1.472 -22.930 1.00 1.34 H new ATOM 0 HA ARG A 50 -7.824 2.122 -22.532 1.00 23.45 H new ATOM 0 HB2 ARG A 50 -7.895 2.905 -24.791 1.00 42.12 H new ATOM 0 HB3 ARG A 50 -8.987 1.537 -24.693 1.00 42.12 H new ATOM 0 HG2 ARG A 50 -10.514 2.858 -25.686 1.00 42.51 H new ATOM 0 HG3 ARG A 50 -10.673 3.665 -24.138 1.00 42.51 H new ATOM 0 HD2 ARG A 50 -8.971 5.318 -24.770 1.00 4.24 H new ATOM 0 HD3 ARG A 50 -8.653 4.469 -26.269 1.00 4.24 H new ATOM 0 HE ARG A 50 -11.449 5.157 -26.111 1.00 44.12 H new ATOM 0 HH11 ARG A 50 -8.239 6.532 -26.635 1.00 62.12 H new ATOM 0 HH12 ARG A 50 -8.845 7.866 -27.622 1.00 62.12 H new ATOM 0 HH21 ARG A 50 -12.218 6.873 -27.380 1.00 53.03 H new ATOM 0 HH22 ARG A 50 -11.088 8.059 -28.042 1.00 53.03 H new ATOM 811 N GLY A 51 -9.907 4.558 -21.991 1.00 44.32 N ATOM 812 CA GLY A 51 -10.005 5.925 -21.513 1.00 43.02 C ATOM 813 C GLY A 51 -10.327 6.000 -20.034 1.00 1.11 C ATOM 814 O GLY A 51 -10.631 7.072 -19.512 1.00 2.23 O ATOM 0 H GLY A 51 -10.790 4.048 -22.017 1.00 44.32 H new ATOM 0 HA2 GLY A 51 -9.064 6.442 -21.704 1.00 43.02 H new ATOM 0 HA3 GLY A 51 -10.777 6.449 -22.077 1.00 43.02 H new ATOM 818 N ALA A 52 -10.262 4.858 -19.357 1.00 51.21 N ATOM 819 CA ALA A 52 -10.549 4.799 -17.929 1.00 51.22 C ATOM 820 C ALA A 52 -9.265 4.671 -17.116 1.00 54.41 C ATOM 821 O ALA A 52 -9.286 4.215 -15.972 1.00 63.12 O ATOM 822 CB ALA A 52 -11.486 3.639 -17.627 1.00 25.14 C ATOM 0 H ALA A 52 -10.013 3.961 -19.775 1.00 51.21 H new ATOM 0 HA ALA A 52 -11.038 5.730 -17.642 1.00 51.22 H new ATOM 0 HB1 ALA A 52 -11.692 3.607 -16.557 1.00 25.14 H new ATOM 0 HB2 ALA A 52 -12.420 3.774 -18.172 1.00 25.14 H new ATOM 0 HB3 ALA A 52 -11.018 2.704 -17.935 1.00 25.14 H new ATOM 828 N LEU A 53 -8.150 5.076 -17.713 1.00 41.30 N ATOM 829 CA LEU A 53 -6.855 5.006 -17.044 1.00 14.50 C ATOM 830 C LEU A 53 -5.981 6.197 -17.424 1.00 40.02 C ATOM 831 O LEU A 53 -5.306 6.199 -18.454 1.00 54.42 O ATOM 832 CB LEU A 53 -6.143 3.701 -17.403 1.00 15.01 C ATOM 833 CG LEU A 53 -7.013 2.443 -17.413 1.00 40.35 C ATOM 834 CD1 LEU A 53 -6.300 1.308 -18.131 1.00 31.51 C ATOM 835 CD2 LEU A 53 -7.377 2.035 -15.994 1.00 21.54 C ATOM 0 H LEU A 53 -8.116 5.456 -18.659 1.00 41.30 H new ATOM 0 HA LEU A 53 -7.028 5.034 -15.968 1.00 14.50 H new ATOM 0 HB2 LEU A 53 -5.693 3.815 -18.389 1.00 15.01 H new ATOM 0 HB3 LEU A 53 -5.327 3.549 -16.696 1.00 15.01 H new ATOM 0 HG LEU A 53 -7.934 2.665 -17.952 1.00 40.35 H new ATOM 0 HD11 LEU A 53 -6.934 0.421 -18.129 1.00 31.51 H new ATOM 0 HD12 LEU A 53 -6.092 1.602 -19.160 1.00 31.51 H new ATOM 0 HD13 LEU A 53 -5.363 1.086 -17.620 1.00 31.51 H new ATOM 0 HD21 LEU A 53 -7.996 1.138 -16.021 1.00 21.54 H new ATOM 0 HD22 LEU A 53 -6.467 1.831 -15.429 1.00 21.54 H new ATOM 0 HD23 LEU A 53 -7.929 2.843 -15.513 1.00 21.54 H new ATOM 847 N PRO A 54 -5.990 7.234 -16.573 1.00 64.31 N ATOM 848 CA PRO A 54 -5.200 8.448 -16.797 1.00 54.52 C ATOM 849 C PRO A 54 -3.703 8.205 -16.639 1.00 34.30 C ATOM 850 O PRO A 54 -3.286 7.288 -15.932 1.00 4.31 O ATOM 851 CB PRO A 54 -5.704 9.404 -15.712 1.00 71.15 C ATOM 852 CG PRO A 54 -6.218 8.515 -14.633 1.00 72.34 C ATOM 853 CD PRO A 54 -6.770 7.299 -15.326 1.00 40.41 C ATOM 0 HA PRO A 54 -5.319 8.830 -17.811 1.00 54.52 H new ATOM 0 HB2 PRO A 54 -4.903 10.047 -15.347 1.00 71.15 H new ATOM 0 HB3 PRO A 54 -6.488 10.058 -16.094 1.00 71.15 H new ATOM 0 HG2 PRO A 54 -5.422 8.242 -13.940 1.00 72.34 H new ATOM 0 HG3 PRO A 54 -6.990 9.016 -14.049 1.00 72.34 H new ATOM 0 HD2 PRO A 54 -6.641 6.400 -14.724 1.00 40.41 H new ATOM 0 HD3 PRO A 54 -7.837 7.399 -15.524 1.00 40.41 H new ATOM 861 N ALA A 55 -2.901 9.031 -17.301 1.00 42.25 N ATOM 862 CA ALA A 55 -1.450 8.906 -17.232 1.00 12.41 C ATOM 863 C ALA A 55 -0.903 9.560 -15.968 1.00 1.24 C ATOM 864 O ALA A 55 0.304 9.556 -15.728 1.00 33.01 O ATOM 865 CB ALA A 55 -0.808 9.521 -18.467 1.00 2.13 C ATOM 0 H ALA A 55 -3.231 9.794 -17.892 1.00 42.25 H new ATOM 0 HA ALA A 55 -1.202 7.845 -17.198 1.00 12.41 H new ATOM 0 HB1 ALA A 55 0.275 9.421 -18.402 1.00 2.13 H new ATOM 0 HB2 ALA A 55 -1.167 9.007 -19.358 1.00 2.13 H new ATOM 0 HB3 ALA A 55 -1.072 10.577 -18.526 1.00 2.13 H new ATOM 871 N ASN A 56 -1.799 10.122 -15.162 1.00 64.02 N ATOM 872 CA ASN A 56 -1.405 10.781 -13.922 1.00 45.24 C ATOM 873 C ASN A 56 -1.237 9.766 -12.796 1.00 64.11 C ATOM 874 O ASN A 56 -0.485 9.994 -11.848 1.00 64.43 O ATOM 875 CB ASN A 56 -2.444 11.832 -13.526 1.00 61.14 C ATOM 876 CG ASN A 56 -2.812 12.745 -14.680 1.00 63.21 C ATOM 877 OD1 ASN A 56 -2.062 12.874 -15.648 1.00 25.14 O ATOM 878 ND2 ASN A 56 -3.972 13.384 -14.582 1.00 63.21 N ATOM 0 H ASN A 56 -2.802 10.134 -15.346 1.00 64.02 H new ATOM 0 HA ASN A 56 -0.447 11.273 -14.090 1.00 45.24 H new ATOM 0 HB2 ASN A 56 -3.341 11.332 -13.161 1.00 61.14 H new ATOM 0 HB3 ASN A 56 -2.055 12.431 -12.702 1.00 61.14 H new ATOM 0 HD21 ASN A 56 -4.273 14.012 -15.327 1.00 63.21 H new ATOM 0 HD22 ASN A 56 -4.562 13.247 -13.761 1.00 63.21 H new ATOM 885 N ASP A 57 -1.941 8.645 -12.907 1.00 55.43 N ATOM 886 CA ASP A 57 -1.870 7.594 -11.899 1.00 63.25 C ATOM 887 C ASP A 57 -2.239 6.240 -12.499 1.00 42.51 C ATOM 888 O ASP A 57 -3.133 6.147 -13.341 1.00 62.40 O ATOM 889 CB ASP A 57 -2.798 7.917 -10.728 1.00 30.33 C ATOM 890 CG ASP A 57 -2.240 7.444 -9.400 1.00 2.54 C ATOM 891 OD1 ASP A 57 -1.403 8.166 -8.818 1.00 13.22 O ATOM 892 OD2 ASP A 57 -2.639 6.353 -8.942 1.00 64.34 O ATOM 0 H ASP A 57 -2.568 8.441 -13.685 1.00 55.43 H new ATOM 0 HA ASP A 57 -0.844 7.543 -11.535 1.00 63.25 H new ATOM 0 HB2 ASP A 57 -2.964 8.993 -10.686 1.00 30.33 H new ATOM 0 HB3 ASP A 57 -3.768 7.451 -10.898 1.00 30.33 H new ATOM 897 N CYS A 58 -1.545 5.196 -12.061 1.00 44.20 N ATOM 898 CA CYS A 58 -1.798 3.848 -12.556 1.00 30.41 C ATOM 899 C CYS A 58 -3.162 3.346 -12.094 1.00 13.33 C ATOM 900 O CYS A 58 -3.738 3.872 -11.141 1.00 41.51 O ATOM 901 CB CYS A 58 -0.702 2.893 -12.080 1.00 32.02 C ATOM 902 SG CYS A 58 -0.251 1.626 -13.288 1.00 31.40 S ATOM 0 H CYS A 58 -0.803 5.257 -11.364 1.00 44.20 H new ATOM 0 HA CYS A 58 -1.793 3.881 -13.645 1.00 30.41 H new ATOM 0 HB2 CYS A 58 0.186 3.473 -11.829 1.00 32.02 H new ATOM 0 HB3 CYS A 58 -1.033 2.405 -11.164 1.00 32.02 H new ATOM 0 HG CYS A 58 0.713 0.896 -12.811 1.00 31.40 H new ATOM 908 N ARG A 59 -3.675 2.327 -12.776 1.00 3.32 N ATOM 909 CA ARG A 59 -4.973 1.757 -12.437 1.00 62.20 C ATOM 910 C ARG A 59 -5.134 0.370 -13.052 1.00 33.41 C ATOM 911 O ARG A 59 -4.241 -0.124 -13.740 1.00 44.32 O ATOM 912 CB ARG A 59 -6.098 2.674 -12.919 1.00 13.01 C ATOM 913 CG ARG A 59 -6.817 3.400 -11.793 1.00 62.31 C ATOM 914 CD ARG A 59 -7.145 4.835 -12.175 1.00 62.42 C ATOM 915 NE ARG A 59 -6.798 5.776 -11.114 1.00 52.42 N ATOM 916 CZ ARG A 59 -7.128 7.063 -11.137 1.00 60.00 C ATOM 917 NH1 ARG A 59 -7.809 7.558 -12.161 1.00 52.10 N ATOM 918 NH2 ARG A 59 -6.777 7.857 -10.134 1.00 5.13 N ATOM 0 H ARG A 59 -3.211 1.879 -13.567 1.00 3.32 H new ATOM 0 HA ARG A 59 -5.029 1.664 -11.352 1.00 62.20 H new ATOM 0 HB2 ARG A 59 -5.685 3.410 -13.609 1.00 13.01 H new ATOM 0 HB3 ARG A 59 -6.822 2.083 -13.479 1.00 13.01 H new ATOM 0 HG2 ARG A 59 -7.736 2.869 -11.545 1.00 62.31 H new ATOM 0 HG3 ARG A 59 -6.194 3.394 -10.899 1.00 62.31 H new ATOM 0 HD2 ARG A 59 -6.607 5.100 -13.085 1.00 62.42 H new ATOM 0 HD3 ARG A 59 -8.209 4.917 -12.399 1.00 62.42 H new ATOM 0 HE ARG A 59 -6.274 5.427 -10.312 1.00 52.42 H new ATOM 0 HH11 ARG A 59 -8.081 6.951 -12.934 1.00 52.10 H new ATOM 0 HH12 ARG A 59 -8.061 8.546 -12.176 1.00 52.10 H new ATOM 0 HH21 ARG A 59 -6.253 7.480 -9.344 1.00 5.13 H new ATOM 0 HH22 ARG A 59 -7.031 8.845 -10.153 1.00 5.13 H new ATOM 932 N PHE A 60 -6.280 -0.255 -12.798 1.00 44.33 N ATOM 933 CA PHE A 60 -6.558 -1.586 -13.325 1.00 41.43 C ATOM 934 C PHE A 60 -7.961 -1.652 -13.922 1.00 44.24 C ATOM 935 O PHE A 60 -8.713 -0.679 -13.877 1.00 61.53 O ATOM 936 CB PHE A 60 -6.411 -2.635 -12.222 1.00 31.33 C ATOM 937 CG PHE A 60 -5.146 -2.494 -11.425 1.00 64.50 C ATOM 938 CD1 PHE A 60 -4.965 -1.418 -10.572 1.00 2.13 C ATOM 939 CD2 PHE A 60 -4.137 -3.439 -11.529 1.00 11.10 C ATOM 940 CE1 PHE A 60 -3.801 -1.286 -9.838 1.00 41.42 C ATOM 941 CE2 PHE A 60 -2.971 -3.312 -10.798 1.00 32.15 C ATOM 942 CZ PHE A 60 -2.803 -2.234 -9.950 1.00 75.52 C ATOM 0 H PHE A 60 -7.030 0.139 -12.231 1.00 44.33 H new ATOM 0 HA PHE A 60 -5.836 -1.795 -14.114 1.00 41.43 H new ATOM 0 HB2 PHE A 60 -7.265 -2.564 -11.548 1.00 31.33 H new ATOM 0 HB3 PHE A 60 -6.440 -3.628 -12.670 1.00 31.33 H new ATOM 0 HD1 PHE A 60 -5.742 -0.674 -10.479 1.00 2.13 H new ATOM 0 HD2 PHE A 60 -4.264 -4.284 -12.189 1.00 11.10 H new ATOM 0 HE1 PHE A 60 -3.672 -0.442 -9.177 1.00 41.42 H new ATOM 0 HE2 PHE A 60 -2.192 -4.054 -10.889 1.00 32.15 H new ATOM 0 HZ PHE A 60 -1.894 -2.133 -9.376 1.00 75.52 H new ATOM 952 N GLY A 61 -8.305 -2.807 -14.483 1.00 20.53 N ATOM 953 CA GLY A 61 -9.616 -2.980 -15.082 1.00 25.04 C ATOM 954 C GLY A 61 -10.073 -4.425 -15.070 1.00 65.21 C ATOM 955 O GLY A 61 -9.336 -5.320 -15.486 1.00 34.22 O ATOM 0 H GLY A 61 -7.699 -3.626 -14.534 1.00 20.53 H new ATOM 0 HA2 GLY A 61 -10.341 -2.368 -14.545 1.00 25.04 H new ATOM 0 HA3 GLY A 61 -9.593 -2.618 -16.110 1.00 25.04 H new ATOM 959 N VAL A 62 -11.291 -4.655 -14.591 1.00 70.22 N ATOM 960 CA VAL A 62 -11.845 -6.002 -14.526 1.00 73.23 C ATOM 961 C VAL A 62 -13.004 -6.167 -15.503 1.00 61.34 C ATOM 962 O VAL A 62 -13.939 -5.367 -15.514 1.00 53.24 O ATOM 963 CB VAL A 62 -12.334 -6.340 -13.105 1.00 73.14 C ATOM 964 CG1 VAL A 62 -11.646 -7.594 -12.588 1.00 35.21 C ATOM 965 CG2 VAL A 62 -12.097 -5.166 -12.167 1.00 61.25 C ATOM 0 H VAL A 62 -11.913 -3.926 -14.242 1.00 70.22 H new ATOM 0 HA VAL A 62 -11.043 -6.688 -14.799 1.00 73.23 H new ATOM 0 HB VAL A 62 -13.406 -6.533 -13.144 1.00 73.14 H new ATOM 0 HG11 VAL A 62 -12.004 -7.817 -11.583 1.00 35.21 H new ATOM 0 HG12 VAL A 62 -11.872 -8.431 -13.248 1.00 35.21 H new ATOM 0 HG13 VAL A 62 -10.568 -7.433 -12.562 1.00 35.21 H new ATOM 0 HG21 VAL A 62 -12.448 -5.422 -11.167 1.00 61.25 H new ATOM 0 HG22 VAL A 62 -11.032 -4.939 -12.130 1.00 61.25 H new ATOM 0 HG23 VAL A 62 -12.641 -4.294 -12.530 1.00 61.25 H new ATOM 975 N TYR A 63 -12.936 -7.211 -16.322 1.00 45.13 N ATOM 976 CA TYR A 63 -13.978 -7.481 -17.305 1.00 51.33 C ATOM 977 C TYR A 63 -14.064 -8.973 -17.613 1.00 1.51 C ATOM 978 O TYR A 63 -13.099 -9.578 -18.080 1.00 51.02 O ATOM 979 CB TYR A 63 -13.710 -6.698 -18.592 1.00 12.12 C ATOM 980 CG TYR A 63 -12.766 -7.399 -19.542 1.00 22.12 C ATOM 981 CD1 TYR A 63 -11.427 -7.578 -19.216 1.00 71.11 C ATOM 982 CD2 TYR A 63 -13.213 -7.884 -20.765 1.00 2.30 C ATOM 983 CE1 TYR A 63 -10.561 -8.217 -20.081 1.00 62.44 C ATOM 984 CE2 TYR A 63 -12.354 -8.526 -21.636 1.00 1.30 C ATOM 985 CZ TYR A 63 -11.029 -8.690 -21.290 1.00 2.31 C ATOM 986 OH TYR A 63 -10.169 -9.328 -22.154 1.00 73.41 O ATOM 0 H TYR A 63 -12.170 -7.884 -16.324 1.00 45.13 H new ATOM 0 HA TYR A 63 -14.931 -7.160 -16.884 1.00 51.33 H new ATOM 0 HB2 TYR A 63 -14.657 -6.517 -19.101 1.00 12.12 H new ATOM 0 HB3 TYR A 63 -13.296 -5.723 -18.335 1.00 12.12 H new ATOM 0 HD1 TYR A 63 -11.057 -7.211 -18.270 1.00 71.11 H new ATOM 0 HD2 TYR A 63 -14.250 -7.757 -21.039 1.00 2.30 H new ATOM 0 HE1 TYR A 63 -9.523 -8.346 -19.813 1.00 62.44 H new ATOM 0 HE2 TYR A 63 -12.718 -8.897 -22.583 1.00 1.30 H new ATOM 0 HH TYR A 63 -10.473 -10.249 -22.297 1.00 73.41 H new ATOM 996 N ASP A 64 -15.226 -9.558 -17.348 1.00 33.51 N ATOM 997 CA ASP A 64 -15.441 -10.979 -17.597 1.00 61.15 C ATOM 998 C ASP A 64 -15.212 -11.313 -19.068 1.00 64.22 C ATOM 999 O ASP A 64 -16.070 -11.059 -19.914 1.00 32.12 O ATOM 1000 CB ASP A 64 -16.857 -11.383 -17.185 1.00 31.14 C ATOM 1001 CG ASP A 64 -16.907 -12.764 -16.561 1.00 63.12 C ATOM 1002 OD1 ASP A 64 -15.947 -13.128 -15.850 1.00 34.22 O ATOM 1003 OD2 ASP A 64 -17.905 -13.481 -16.785 1.00 65.24 O ATOM 0 H ASP A 64 -16.034 -9.071 -16.961 1.00 33.51 H new ATOM 0 HA ASP A 64 -14.723 -11.540 -16.999 1.00 61.15 H new ATOM 0 HB2 ASP A 64 -17.248 -10.653 -16.476 1.00 31.14 H new ATOM 0 HB3 ASP A 64 -17.507 -11.359 -18.059 1.00 31.14 H new ATOM 1008 N CYS A 65 -14.049 -11.883 -19.366 1.00 0.52 N ATOM 1009 CA CYS A 65 -13.706 -12.250 -20.735 1.00 42.21 C ATOM 1010 C CYS A 65 -14.212 -13.650 -21.066 1.00 23.25 C ATOM 1011 O CYS A 65 -14.164 -14.083 -22.216 1.00 74.01 O ATOM 1012 CB CYS A 65 -12.192 -12.180 -20.940 1.00 2.13 C ATOM 1013 SG CYS A 65 -11.688 -11.997 -22.666 1.00 41.45 S ATOM 0 H CYS A 65 -13.328 -12.101 -18.678 1.00 0.52 H new ATOM 0 HA CYS A 65 -14.189 -11.541 -21.407 1.00 42.21 H new ATOM 0 HB2 CYS A 65 -11.797 -11.341 -20.367 1.00 2.13 H new ATOM 0 HB3 CYS A 65 -11.739 -13.085 -20.535 1.00 2.13 H new ATOM 0 HG CYS A 65 -12.430 -12.756 -23.417 1.00 41.45 H new ATOM 1019 N GLY A 66 -14.695 -14.355 -20.047 1.00 22.12 N ATOM 1020 CA GLY A 66 -15.201 -15.700 -20.249 1.00 62.12 C ATOM 1021 C GLY A 66 -14.169 -16.763 -19.925 1.00 14.51 C ATOM 1022 O GLY A 66 -14.517 -17.872 -19.522 1.00 2.54 O ATOM 0 H GLY A 66 -14.745 -14.018 -19.085 1.00 22.12 H new ATOM 0 HA2 GLY A 66 -16.082 -15.851 -19.625 1.00 62.12 H new ATOM 0 HA3 GLY A 66 -15.521 -15.813 -21.285 1.00 62.12 H new ATOM 1026 N ASN A 67 -12.897 -16.423 -20.103 1.00 63.41 N ATOM 1027 CA ASN A 67 -11.811 -17.358 -19.829 1.00 11.14 C ATOM 1028 C ASN A 67 -10.901 -16.826 -18.725 1.00 53.15 C ATOM 1029 O ASN A 67 -10.267 -17.595 -18.003 1.00 73.30 O ATOM 1030 CB ASN A 67 -10.996 -17.613 -21.098 1.00 54.34 C ATOM 1031 CG ASN A 67 -10.168 -18.880 -21.009 1.00 74.14 C ATOM 1032 OD1 ASN A 67 -10.445 -19.865 -21.694 1.00 34.10 O ATOM 1033 ND2 ASN A 67 -9.146 -18.860 -20.162 1.00 62.35 N ATOM 0 H ASN A 67 -12.592 -15.508 -20.435 1.00 63.41 H new ATOM 0 HA ASN A 67 -12.250 -18.297 -19.493 1.00 11.14 H new ATOM 0 HB2 ASN A 67 -11.670 -17.682 -21.952 1.00 54.34 H new ATOM 0 HB3 ASN A 67 -10.337 -16.764 -21.280 1.00 54.34 H new ATOM 0 HD21 ASN A 67 -8.553 -19.683 -20.059 1.00 62.35 H new ATOM 0 HD22 ASN A 67 -8.954 -18.021 -19.614 1.00 62.35 H new ATOM 1040 N LYS A 68 -10.842 -15.504 -18.601 1.00 33.43 N ATOM 1041 CA LYS A 68 -10.012 -14.868 -17.585 1.00 54.51 C ATOM 1042 C LYS A 68 -10.237 -13.359 -17.566 1.00 51.03 C ATOM 1043 O LYS A 68 -10.950 -12.818 -18.412 1.00 11.10 O ATOM 1044 CB LYS A 68 -8.534 -15.171 -17.841 1.00 54.42 C ATOM 1045 CG LYS A 68 -7.979 -14.486 -19.078 1.00 63.53 C ATOM 1046 CD LYS A 68 -8.387 -15.214 -20.348 1.00 44.15 C ATOM 1047 CE LYS A 68 -9.350 -14.383 -21.182 1.00 35.14 C ATOM 1048 NZ LYS A 68 -9.126 -14.572 -22.642 1.00 12.54 N ATOM 0 H LYS A 68 -11.359 -14.853 -19.192 1.00 33.43 H new ATOM 0 HA LYS A 68 -10.296 -15.273 -16.614 1.00 54.51 H new ATOM 0 HB2 LYS A 68 -7.952 -14.862 -16.973 1.00 54.42 H new ATOM 0 HB3 LYS A 68 -8.405 -16.248 -17.944 1.00 54.42 H new ATOM 0 HG2 LYS A 68 -8.336 -13.457 -19.117 1.00 63.53 H new ATOM 0 HG3 LYS A 68 -6.892 -14.444 -19.015 1.00 63.53 H new ATOM 0 HD2 LYS A 68 -7.500 -15.445 -20.937 1.00 44.15 H new ATOM 0 HD3 LYS A 68 -8.854 -16.164 -20.090 1.00 44.15 H new ATOM 0 HE2 LYS A 68 -10.375 -14.657 -20.934 1.00 35.14 H new ATOM 0 HE3 LYS A 68 -9.232 -13.329 -20.930 1.00 35.14 H new ATOM 0 HZ1 LYS A 68 -9.767 -13.951 -23.175 1.00 12.54 H new ATOM 0 HZ2 LYS A 68 -8.141 -14.335 -22.876 1.00 12.54 H new ATOM 0 HZ3 LYS A 68 -9.313 -15.563 -22.897 1.00 12.54 H new ATOM 1062 N ILE A 69 -9.624 -12.686 -16.599 1.00 23.03 N ATOM 1063 CA ILE A 69 -9.755 -11.240 -16.473 1.00 14.23 C ATOM 1064 C ILE A 69 -8.453 -10.535 -16.836 1.00 63.55 C ATOM 1065 O ILE A 69 -7.565 -10.382 -15.999 1.00 3.44 O ATOM 1066 CB ILE A 69 -10.164 -10.834 -15.044 1.00 63.03 C ATOM 1067 CG1 ILE A 69 -11.295 -11.732 -14.540 1.00 14.45 C ATOM 1068 CG2 ILE A 69 -10.584 -9.372 -15.009 1.00 22.24 C ATOM 1069 CD1 ILE A 69 -12.457 -11.839 -15.502 1.00 50.45 C ATOM 0 H ILE A 69 -9.031 -13.119 -15.891 1.00 23.03 H new ATOM 0 HA ILE A 69 -10.537 -10.933 -17.168 1.00 14.23 H new ATOM 0 HB ILE A 69 -9.305 -10.960 -14.385 1.00 63.03 H new ATOM 0 HG12 ILE A 69 -10.899 -12.729 -14.350 1.00 14.45 H new ATOM 0 HG13 ILE A 69 -11.657 -11.346 -13.587 1.00 14.45 H new ATOM 0 HG21 ILE A 69 -10.870 -9.100 -13.993 1.00 22.24 H new ATOM 0 HG22 ILE A 69 -9.752 -8.746 -15.331 1.00 22.24 H new ATOM 0 HG23 ILE A 69 -11.432 -9.221 -15.677 1.00 22.24 H new ATOM 0 HD11 ILE A 69 -13.221 -12.491 -15.079 1.00 50.45 H new ATOM 0 HD12 ILE A 69 -12.880 -10.849 -15.674 1.00 50.45 H new ATOM 0 HD13 ILE A 69 -12.109 -12.254 -16.448 1.00 50.45 H new ATOM 1081 N GLN A 70 -8.348 -10.109 -18.091 1.00 5.53 N ATOM 1082 CA GLN A 70 -7.153 -9.419 -18.565 1.00 34.02 C ATOM 1083 C GLN A 70 -7.190 -7.943 -18.184 1.00 50.41 C ATOM 1084 O GLN A 70 -7.934 -7.158 -18.772 1.00 52.41 O ATOM 1085 CB GLN A 70 -7.024 -9.564 -20.082 1.00 41.41 C ATOM 1086 CG GLN A 70 -5.687 -9.087 -20.627 1.00 30.13 C ATOM 1087 CD GLN A 70 -5.774 -7.718 -21.272 1.00 73.34 C ATOM 1088 OE1 GLN A 70 -6.112 -6.731 -20.619 1.00 31.15 O ATOM 1089 NE2 GLN A 70 -5.469 -7.652 -22.563 1.00 53.31 N ATOM 0 H GLN A 70 -9.074 -10.229 -18.797 1.00 5.53 H new ATOM 0 HA GLN A 70 -6.286 -9.876 -18.088 1.00 34.02 H new ATOM 0 HB2 GLN A 70 -7.164 -10.611 -20.352 1.00 41.41 H new ATOM 0 HB3 GLN A 70 -7.824 -9.001 -20.562 1.00 41.41 H new ATOM 0 HG2 GLN A 70 -4.959 -9.057 -19.817 1.00 30.13 H new ATOM 0 HG3 GLN A 70 -5.320 -9.806 -21.359 1.00 30.13 H new ATOM 0 HE21 GLN A 70 -5.194 -8.496 -23.066 1.00 53.31 H new ATOM 0 HE22 GLN A 70 -5.510 -6.758 -23.052 1.00 53.31 H new ATOM 1098 N PHE A 71 -6.382 -7.571 -17.197 1.00 32.15 N ATOM 1099 CA PHE A 71 -6.323 -6.189 -16.736 1.00 52.31 C ATOM 1100 C PHE A 71 -4.980 -5.556 -17.087 1.00 1.53 C ATOM 1101 O PHE A 71 -3.925 -6.051 -16.690 1.00 1.41 O ATOM 1102 CB PHE A 71 -6.552 -6.122 -15.225 1.00 32.13 C ATOM 1103 CG PHE A 71 -5.519 -6.867 -14.428 1.00 73.15 C ATOM 1104 CD1 PHE A 71 -5.623 -8.236 -14.243 1.00 71.21 C ATOM 1105 CD2 PHE A 71 -4.445 -6.198 -13.865 1.00 23.11 C ATOM 1106 CE1 PHE A 71 -4.674 -8.925 -13.511 1.00 52.02 C ATOM 1107 CE2 PHE A 71 -3.493 -6.882 -13.133 1.00 5.55 C ATOM 1108 CZ PHE A 71 -3.608 -8.246 -12.954 1.00 60.34 C ATOM 0 H PHE A 71 -5.759 -8.208 -16.701 1.00 32.15 H new ATOM 0 HA PHE A 71 -7.111 -5.630 -17.240 1.00 52.31 H new ATOM 0 HB2 PHE A 71 -6.557 -5.078 -14.912 1.00 32.13 H new ATOM 0 HB3 PHE A 71 -7.538 -6.528 -14.997 1.00 32.13 H new ATOM 0 HD1 PHE A 71 -6.455 -8.771 -14.676 1.00 71.21 H new ATOM 0 HD2 PHE A 71 -4.350 -5.131 -13.999 1.00 23.11 H new ATOM 0 HE1 PHE A 71 -4.766 -9.992 -13.375 1.00 52.02 H new ATOM 0 HE2 PHE A 71 -2.659 -6.349 -12.701 1.00 5.55 H new ATOM 0 HZ PHE A 71 -2.866 -8.781 -12.380 1.00 60.34 H new ATOM 1118 N VAL A 72 -5.027 -4.457 -17.834 1.00 72.32 N ATOM 1119 CA VAL A 72 -3.815 -3.755 -18.239 1.00 31.13 C ATOM 1120 C VAL A 72 -3.489 -2.621 -17.274 1.00 0.05 C ATOM 1121 O VAL A 72 -4.383 -2.040 -16.656 1.00 24.32 O ATOM 1122 CB VAL A 72 -3.947 -3.181 -19.662 1.00 34.31 C ATOM 1123 CG1 VAL A 72 -2.580 -2.821 -20.222 1.00 2.01 C ATOM 1124 CG2 VAL A 72 -4.661 -4.171 -20.571 1.00 1.23 C ATOM 0 H VAL A 72 -5.892 -4.034 -18.171 1.00 72.32 H new ATOM 0 HA VAL A 72 -3.006 -4.486 -18.224 1.00 31.13 H new ATOM 0 HB VAL A 72 -4.544 -2.270 -19.614 1.00 34.31 H new ATOM 0 HG11 VAL A 72 -2.694 -2.417 -21.228 1.00 2.01 H new ATOM 0 HG12 VAL A 72 -2.110 -2.074 -19.582 1.00 2.01 H new ATOM 0 HG13 VAL A 72 -1.955 -3.713 -20.258 1.00 2.01 H new ATOM 0 HG21 VAL A 72 -4.746 -3.749 -21.573 1.00 1.23 H new ATOM 0 HG22 VAL A 72 -4.092 -5.100 -20.615 1.00 1.23 H new ATOM 0 HG23 VAL A 72 -5.657 -4.374 -20.177 1.00 1.23 H new ATOM 1134 N LEU A 73 -2.204 -2.309 -17.148 1.00 63.44 N ATOM 1135 CA LEU A 73 -1.758 -1.243 -16.258 1.00 71.11 C ATOM 1136 C LEU A 73 -1.017 -0.159 -17.035 1.00 34.23 C ATOM 1137 O LEU A 73 -0.357 -0.440 -18.035 1.00 21.22 O ATOM 1138 CB LEU A 73 -0.853 -1.811 -15.163 1.00 51.23 C ATOM 1139 CG LEU A 73 -1.533 -2.138 -13.833 1.00 41.22 C ATOM 1140 CD1 LEU A 73 -1.989 -3.588 -13.809 1.00 72.33 C ATOM 1141 CD2 LEU A 73 -0.594 -1.853 -12.670 1.00 42.01 C ATOM 0 H LEU A 73 -1.452 -2.780 -17.651 1.00 63.44 H new ATOM 0 HA LEU A 73 -2.639 -0.796 -15.797 1.00 71.11 H new ATOM 0 HB2 LEU A 73 -0.385 -2.719 -15.542 1.00 51.23 H new ATOM 0 HB3 LEU A 73 -0.053 -1.095 -14.973 1.00 51.23 H new ATOM 0 HG LEU A 73 -2.411 -1.501 -13.730 1.00 41.22 H new ATOM 0 HD11 LEU A 73 -2.471 -3.802 -12.855 1.00 72.33 H new ATOM 0 HD12 LEU A 73 -2.697 -3.760 -14.620 1.00 72.33 H new ATOM 0 HD13 LEU A 73 -1.127 -4.243 -13.935 1.00 72.33 H new ATOM 0 HD21 LEU A 73 -1.094 -2.091 -11.731 1.00 42.01 H new ATOM 0 HD22 LEU A 73 0.303 -2.464 -12.768 1.00 42.01 H new ATOM 0 HD23 LEU A 73 -0.317 -0.799 -12.676 1.00 42.01 H new ATOM 1153 N TRP A 74 -1.131 1.078 -16.567 1.00 4.44 N ATOM 1154 CA TRP A 74 -0.469 2.205 -17.216 1.00 75.54 C ATOM 1155 C TRP A 74 0.343 3.013 -16.211 1.00 14.13 C ATOM 1156 O TRP A 74 -0.210 3.808 -15.449 1.00 43.22 O ATOM 1157 CB TRP A 74 -1.502 3.104 -17.898 1.00 44.11 C ATOM 1158 CG TRP A 74 -0.887 4.195 -18.722 1.00 1.35 C ATOM 1159 CD1 TRP A 74 0.443 4.486 -18.835 1.00 55.41 C ATOM 1160 CD2 TRP A 74 -1.579 5.141 -19.544 1.00 45.22 C ATOM 1161 NE1 TRP A 74 0.619 5.556 -19.679 1.00 1.41 N ATOM 1162 CE2 TRP A 74 -0.605 5.976 -20.128 1.00 33.32 C ATOM 1163 CE3 TRP A 74 -2.925 5.363 -19.846 1.00 43.14 C ATOM 1164 CZ2 TRP A 74 -0.938 7.014 -20.994 1.00 1.14 C ATOM 1165 CZ3 TRP A 74 -3.253 6.394 -20.706 1.00 12.34 C ATOM 1166 CH2 TRP A 74 -2.264 7.209 -21.272 1.00 24.12 C ATOM 0 H TRP A 74 -1.675 1.327 -15.741 1.00 4.44 H new ATOM 0 HA TRP A 74 0.213 1.810 -17.969 1.00 75.54 H new ATOM 0 HB2 TRP A 74 -2.141 2.493 -18.536 1.00 44.11 H new ATOM 0 HB3 TRP A 74 -2.144 3.550 -17.138 1.00 44.11 H new ATOM 0 HD1 TRP A 74 1.239 3.954 -18.335 1.00 55.41 H new ATOM 0 HE1 TRP A 74 1.516 5.971 -19.931 1.00 1.41 H new ATOM 0 HE3 TRP A 74 -3.695 4.740 -19.415 1.00 43.14 H new ATOM 0 HZ2 TRP A 74 -0.177 7.643 -21.431 1.00 1.14 H new ATOM 0 HZ3 TRP A 74 -4.290 6.575 -20.946 1.00 12.34 H new ATOM 0 HH2 TRP A 74 -2.553 8.006 -21.940 1.00 24.12 H new ATOM 1177 N CYS A 75 1.655 2.806 -16.213 1.00 74.40 N ATOM 1178 CA CYS A 75 2.543 3.516 -15.299 1.00 74.24 C ATOM 1179 C CYS A 75 2.489 5.020 -15.548 1.00 61.44 C ATOM 1180 O CYS A 75 2.817 5.507 -16.630 1.00 62.35 O ATOM 1181 CB CYS A 75 3.978 3.012 -15.455 1.00 60.44 C ATOM 1182 SG CYS A 75 4.745 2.478 -13.908 1.00 3.25 S ATOM 0 H CYS A 75 2.128 2.152 -16.837 1.00 74.40 H new ATOM 0 HA CYS A 75 2.207 3.322 -14.280 1.00 74.24 H new ATOM 0 HB2 CYS A 75 3.985 2.179 -16.158 1.00 60.44 H new ATOM 0 HB3 CYS A 75 4.584 3.804 -15.894 1.00 60.44 H new ATOM 0 HG CYS A 75 5.956 2.067 -14.143 1.00 3.25 H new ATOM 1188 N PRO A 76 2.064 5.774 -14.524 1.00 40.43 N ATOM 1189 CA PRO A 76 1.956 7.234 -14.608 1.00 61.10 C ATOM 1190 C PRO A 76 3.320 7.913 -14.671 1.00 13.44 C ATOM 1191 O PRO A 76 4.241 7.545 -13.942 1.00 65.15 O ATOM 1192 CB PRO A 76 1.230 7.611 -13.314 1.00 72.43 C ATOM 1193 CG PRO A 76 1.544 6.504 -12.367 1.00 44.44 C ATOM 1194 CD PRO A 76 1.657 5.261 -13.206 1.00 14.14 C ATOM 0 HA PRO A 76 1.438 7.553 -15.512 1.00 61.10 H new ATOM 0 HB2 PRO A 76 1.577 8.570 -12.930 1.00 72.43 H new ATOM 0 HB3 PRO A 76 0.156 7.702 -13.475 1.00 72.43 H new ATOM 0 HG2 PRO A 76 2.473 6.700 -11.832 1.00 44.44 H new ATOM 0 HG3 PRO A 76 0.761 6.398 -11.617 1.00 44.44 H new ATOM 0 HD2 PRO A 76 2.394 4.568 -12.800 1.00 14.14 H new ATOM 0 HD3 PRO A 76 0.710 4.725 -13.259 1.00 14.14 H new ATOM 1202 N ASP A 77 3.441 8.907 -15.544 1.00 72.10 N ATOM 1203 CA ASP A 77 4.692 9.639 -15.700 1.00 41.34 C ATOM 1204 C ASP A 77 4.754 10.821 -14.737 1.00 64.32 C ATOM 1205 O ASP A 77 5.722 11.580 -14.733 1.00 40.20 O ATOM 1206 CB ASP A 77 4.844 10.131 -17.141 1.00 15.13 C ATOM 1207 CG ASP A 77 4.545 9.047 -18.157 1.00 62.51 C ATOM 1208 OD1 ASP A 77 5.333 8.082 -18.243 1.00 61.31 O ATOM 1209 OD2 ASP A 77 3.524 9.163 -18.867 1.00 63.03 O ATOM 0 H ASP A 77 2.688 9.224 -16.154 1.00 72.10 H new ATOM 0 HA ASP A 77 5.513 8.960 -15.467 1.00 41.34 H new ATOM 0 HB2 ASP A 77 4.174 10.975 -17.306 1.00 15.13 H new ATOM 0 HB3 ASP A 77 5.860 10.496 -17.292 1.00 15.13 H new ATOM 1214 N ASN A 78 3.714 10.969 -13.923 1.00 4.20 N ATOM 1215 CA ASN A 78 3.650 12.059 -12.956 1.00 42.33 C ATOM 1216 C ASN A 78 4.275 11.645 -11.627 1.00 53.33 C ATOM 1217 O ASN A 78 4.812 12.477 -10.896 1.00 51.05 O ATOM 1218 CB ASN A 78 2.198 12.490 -12.738 1.00 44.31 C ATOM 1219 CG ASN A 78 2.086 13.713 -11.848 1.00 51.11 C ATOM 1220 OD1 ASN A 78 1.760 13.606 -10.666 1.00 3.13 O ATOM 1221 ND2 ASN A 78 2.355 14.884 -12.414 1.00 63.44 N ATOM 0 H ASN A 78 2.905 10.348 -13.914 1.00 4.20 H new ATOM 0 HA ASN A 78 4.216 12.900 -13.356 1.00 42.33 H new ATOM 0 HB2 ASN A 78 1.736 12.702 -13.702 1.00 44.31 H new ATOM 0 HB3 ASN A 78 1.640 11.667 -12.292 1.00 44.31 H new ATOM 0 HD21 ASN A 78 2.295 15.742 -11.865 1.00 63.44 H new ATOM 0 HD22 ASN A 78 2.622 14.926 -13.398 1.00 63.44 H new ATOM 1228 N ALA A 79 4.200 10.354 -11.322 1.00 3.15 N ATOM 1229 CA ALA A 79 4.760 9.829 -10.083 1.00 24.05 C ATOM 1230 C ALA A 79 4.566 8.319 -9.989 1.00 5.31 C ATOM 1231 O ALA A 79 3.782 7.819 -9.183 1.00 32.21 O ATOM 1232 CB ALA A 79 4.128 10.520 -8.883 1.00 62.42 C ATOM 0 H ALA A 79 3.757 9.653 -11.916 1.00 3.15 H new ATOM 0 HA ALA A 79 5.831 10.032 -10.083 1.00 24.05 H new ATOM 0 HB1 ALA A 79 4.556 10.118 -7.965 1.00 62.42 H new ATOM 0 HB2 ALA A 79 4.323 11.591 -8.936 1.00 62.42 H new ATOM 0 HB3 ALA A 79 3.052 10.347 -8.888 1.00 62.42 H new ATOM 1238 N PRO A 80 5.297 7.575 -10.832 1.00 73.33 N ATOM 1239 CA PRO A 80 5.222 6.111 -10.864 1.00 11.03 C ATOM 1240 C PRO A 80 5.829 5.473 -9.619 1.00 62.31 C ATOM 1241 O PRO A 80 5.451 4.369 -9.228 1.00 34.52 O ATOM 1242 CB PRO A 80 6.036 5.741 -12.106 1.00 21.21 C ATOM 1243 CG PRO A 80 6.982 6.877 -12.292 1.00 33.15 C ATOM 1244 CD PRO A 80 6.252 8.104 -11.820 1.00 1.22 C ATOM 0 HA PRO A 80 4.192 5.756 -10.892 1.00 11.03 H new ATOM 0 HB2 PRO A 80 6.569 4.801 -11.964 1.00 21.21 H new ATOM 0 HB3 PRO A 80 5.393 5.614 -12.977 1.00 21.21 H new ATOM 0 HG2 PRO A 80 7.896 6.722 -11.719 1.00 33.15 H new ATOM 0 HG3 PRO A 80 7.274 6.975 -13.338 1.00 33.15 H new ATOM 0 HD2 PRO A 80 6.932 8.829 -11.373 1.00 1.22 H new ATOM 0 HD3 PRO A 80 5.743 8.609 -12.641 1.00 1.22 H new ATOM 1252 N VAL A 81 6.773 6.175 -9.000 1.00 61.31 N ATOM 1253 CA VAL A 81 7.432 5.677 -7.798 1.00 72.04 C ATOM 1254 C VAL A 81 6.412 5.202 -6.770 1.00 21.54 C ATOM 1255 O VAL A 81 6.710 4.352 -5.930 1.00 61.30 O ATOM 1256 CB VAL A 81 8.324 6.757 -7.159 1.00 42.40 C ATOM 1257 CG1 VAL A 81 7.516 8.012 -6.865 1.00 43.20 C ATOM 1258 CG2 VAL A 81 8.979 6.226 -5.893 1.00 1.20 C ATOM 0 H VAL A 81 7.099 7.090 -9.311 1.00 61.31 H new ATOM 0 HA VAL A 81 8.055 4.836 -8.103 1.00 72.04 H new ATOM 0 HB VAL A 81 9.111 7.018 -7.866 1.00 42.40 H new ATOM 0 HG11 VAL A 81 8.163 8.764 -6.414 1.00 43.20 H new ATOM 0 HG12 VAL A 81 7.099 8.402 -7.793 1.00 43.20 H new ATOM 0 HG13 VAL A 81 6.706 7.770 -6.177 1.00 43.20 H new ATOM 0 HG21 VAL A 81 9.606 7.002 -5.454 1.00 1.20 H new ATOM 0 HG22 VAL A 81 8.208 5.935 -5.179 1.00 1.20 H new ATOM 0 HG23 VAL A 81 9.593 5.359 -6.137 1.00 1.20 H new ATOM 1268 N LYS A 82 5.206 5.755 -6.841 1.00 2.05 N ATOM 1269 CA LYS A 82 4.140 5.387 -5.917 1.00 15.30 C ATOM 1270 C LYS A 82 3.498 4.065 -6.326 1.00 15.52 C ATOM 1271 O LYS A 82 3.582 3.062 -5.618 1.00 33.31 O ATOM 1272 CB LYS A 82 3.078 6.488 -5.867 1.00 52.44 C ATOM 1273 CG LYS A 82 3.109 7.307 -4.588 1.00 65.41 C ATOM 1274 CD LYS A 82 4.370 8.149 -4.496 1.00 44.53 C ATOM 1275 CE LYS A 82 5.303 7.641 -3.407 1.00 54.12 C ATOM 1276 NZ LYS A 82 4.954 8.202 -2.072 1.00 71.44 N ATOM 0 H LYS A 82 4.942 6.460 -7.529 1.00 2.05 H new ATOM 0 HA LYS A 82 4.577 5.267 -4.926 1.00 15.30 H new ATOM 0 HB2 LYS A 82 3.217 7.154 -6.718 1.00 52.44 H new ATOM 0 HB3 LYS A 82 2.092 6.035 -5.975 1.00 52.44 H new ATOM 0 HG2 LYS A 82 2.234 7.955 -4.549 1.00 65.41 H new ATOM 0 HG3 LYS A 82 3.051 6.641 -3.727 1.00 65.41 H new ATOM 0 HD2 LYS A 82 4.888 8.136 -5.455 1.00 44.53 H new ATOM 0 HD3 LYS A 82 4.102 9.186 -4.292 1.00 44.53 H new ATOM 0 HE2 LYS A 82 5.256 6.553 -3.367 1.00 54.12 H new ATOM 0 HE3 LYS A 82 6.330 7.907 -3.656 1.00 54.12 H new ATOM 0 HZ1 LYS A 82 5.612 7.832 -1.357 1.00 71.44 H new ATOM 0 HZ2 LYS A 82 5.023 9.239 -2.102 1.00 71.44 H new ATOM 0 HZ3 LYS A 82 3.982 7.927 -1.823 1.00 71.44 H new ATOM 1290 N PRO A 83 2.841 4.062 -7.496 1.00 3.13 N ATOM 1291 CA PRO A 83 2.174 2.869 -8.026 1.00 2.33 C ATOM 1292 C PRO A 83 3.166 1.798 -8.467 1.00 11.30 C ATOM 1293 O PRO A 83 3.083 0.647 -8.038 1.00 12.42 O ATOM 1294 CB PRO A 83 1.394 3.404 -9.229 1.00 43.32 C ATOM 1295 CG PRO A 83 2.138 4.624 -9.651 1.00 65.00 C ATOM 1296 CD PRO A 83 2.701 5.222 -8.391 1.00 54.53 C ATOM 0 HA PRO A 83 1.548 2.385 -7.276 1.00 2.33 H new ATOM 0 HB2 PRO A 83 1.352 2.668 -10.032 1.00 43.32 H new ATOM 0 HB3 PRO A 83 0.365 3.641 -8.960 1.00 43.32 H new ATOM 0 HG2 PRO A 83 2.933 4.373 -10.353 1.00 65.00 H new ATOM 0 HG3 PRO A 83 1.478 5.329 -10.156 1.00 65.00 H new ATOM 0 HD2 PRO A 83 3.660 5.709 -8.571 1.00 54.53 H new ATOM 0 HD3 PRO A 83 2.035 5.975 -7.971 1.00 54.53 H new ATOM 1304 N ARG A 84 4.104 2.185 -9.326 1.00 33.41 N ATOM 1305 CA ARG A 84 5.111 1.257 -9.826 1.00 20.34 C ATOM 1306 C ARG A 84 5.708 0.437 -8.686 1.00 23.05 C ATOM 1307 O ARG A 84 6.088 -0.719 -8.872 1.00 3.42 O ATOM 1308 CB ARG A 84 6.219 2.018 -10.555 1.00 41.15 C ATOM 1309 CG ARG A 84 7.195 1.115 -11.292 1.00 41.21 C ATOM 1310 CD ARG A 84 8.634 1.560 -11.080 1.00 32.40 C ATOM 1311 NE ARG A 84 9.456 1.336 -12.266 1.00 2.20 N ATOM 1312 CZ ARG A 84 10.643 1.903 -12.455 1.00 74.00 C ATOM 1313 NH1 ARG A 84 11.143 2.722 -11.540 1.00 50.14 N ATOM 1314 NH2 ARG A 84 11.331 1.650 -13.561 1.00 4.24 N ATOM 0 H ARG A 84 4.187 3.134 -9.690 1.00 33.41 H new ATOM 0 HA ARG A 84 4.626 0.576 -10.526 1.00 20.34 H new ATOM 0 HB2 ARG A 84 5.766 2.708 -11.267 1.00 41.15 H new ATOM 0 HB3 ARG A 84 6.769 2.621 -9.833 1.00 41.15 H new ATOM 0 HG2 ARG A 84 7.076 0.089 -10.945 1.00 41.21 H new ATOM 0 HG3 ARG A 84 6.964 1.121 -12.357 1.00 41.21 H new ATOM 0 HD2 ARG A 84 8.652 2.619 -10.821 1.00 32.40 H new ATOM 0 HD3 ARG A 84 9.060 1.018 -10.236 1.00 32.40 H new ATOM 0 HE ARG A 84 9.100 0.710 -12.989 1.00 2.20 H new ATOM 0 HH11 ARG A 84 10.616 2.918 -10.689 1.00 50.14 H new ATOM 0 HH12 ARG A 84 12.054 3.156 -11.687 1.00 50.14 H new ATOM 0 HH21 ARG A 84 10.949 1.020 -14.266 1.00 4.24 H new ATOM 0 HH22 ARG A 84 12.242 2.085 -13.706 1.00 4.24 H new ATOM 1328 N MET A 85 5.788 1.044 -7.506 1.00 30.21 N ATOM 1329 CA MET A 85 6.338 0.370 -6.336 1.00 24.43 C ATOM 1330 C MET A 85 5.250 -0.389 -5.583 1.00 71.45 C ATOM 1331 O MET A 85 5.361 -1.595 -5.358 1.00 5.15 O ATOM 1332 CB MET A 85 7.007 1.383 -5.404 1.00 72.43 C ATOM 1333 CG MET A 85 8.311 1.942 -5.950 1.00 55.01 C ATOM 1334 SD MET A 85 9.632 0.716 -5.985 1.00 21.12 S ATOM 1335 CE MET A 85 10.990 1.662 -5.301 1.00 1.33 C ATOM 0 H MET A 85 5.479 2.001 -7.335 1.00 30.21 H new ATOM 0 HA MET A 85 7.085 -0.346 -6.679 1.00 24.43 H new ATOM 0 HB2 MET A 85 6.317 2.206 -5.220 1.00 72.43 H new ATOM 0 HB3 MET A 85 7.199 0.908 -4.442 1.00 72.43 H new ATOM 0 HG2 MET A 85 8.145 2.321 -6.959 1.00 55.01 H new ATOM 0 HG3 MET A 85 8.623 2.789 -5.339 1.00 55.01 H new ATOM 0 HE1 MET A 85 11.883 1.038 -5.258 1.00 1.33 H new ATOM 0 HE2 MET A 85 11.184 2.529 -5.932 1.00 1.33 H new ATOM 0 HE3 MET A 85 10.731 1.995 -4.296 1.00 1.33 H new ATOM 1345 N THR A 86 4.197 0.324 -5.197 1.00 35.31 N ATOM 1346 CA THR A 86 3.089 -0.282 -4.469 1.00 31.21 C ATOM 1347 C THR A 86 2.473 -1.430 -5.260 1.00 61.25 C ATOM 1348 O THR A 86 2.490 -2.580 -4.820 1.00 53.10 O ATOM 1349 CB THR A 86 1.993 0.752 -4.150 1.00 41.53 C ATOM 1350 OG1 THR A 86 2.568 1.888 -3.494 1.00 54.33 O ATOM 1351 CG2 THR A 86 0.914 0.143 -3.268 1.00 54.34 C ATOM 0 H THR A 86 4.088 1.322 -5.376 1.00 35.31 H new ATOM 0 HA THR A 86 3.499 -0.666 -3.535 1.00 31.21 H new ATOM 0 HB THR A 86 1.537 1.067 -5.089 1.00 41.53 H new ATOM 0 HG1 THR A 86 2.765 2.583 -4.156 1.00 54.33 H new ATOM 0 HG21 THR A 86 0.151 0.892 -3.056 1.00 54.34 H new ATOM 0 HG22 THR A 86 0.458 -0.703 -3.782 1.00 54.34 H new ATOM 0 HG23 THR A 86 1.358 -0.197 -2.332 1.00 54.34 H new ATOM 1359 N TYR A 87 1.931 -1.112 -6.431 1.00 2.14 N ATOM 1360 CA TYR A 87 1.308 -2.117 -7.283 1.00 63.33 C ATOM 1361 C TYR A 87 2.233 -3.315 -7.478 1.00 32.33 C ATOM 1362 O TYR A 87 1.776 -4.442 -7.669 1.00 54.43 O ATOM 1363 CB TYR A 87 0.947 -1.512 -8.641 1.00 30.22 C ATOM 1364 CG TYR A 87 1.670 -2.156 -9.802 1.00 43.43 C ATOM 1365 CD1 TYR A 87 1.207 -3.338 -10.366 1.00 35.14 C ATOM 1366 CD2 TYR A 87 2.818 -1.582 -10.336 1.00 14.21 C ATOM 1367 CE1 TYR A 87 1.864 -3.930 -11.427 1.00 24.15 C ATOM 1368 CE2 TYR A 87 3.481 -2.166 -11.397 1.00 50.25 C ATOM 1369 CZ TYR A 87 3.001 -3.340 -11.939 1.00 53.12 C ATOM 1370 OH TYR A 87 3.660 -3.926 -12.996 1.00 15.42 O ATOM 0 H TYR A 87 1.911 -0.166 -6.811 1.00 2.14 H new ATOM 0 HA TYR A 87 0.398 -2.459 -6.791 1.00 63.33 H new ATOM 0 HB2 TYR A 87 -0.128 -1.605 -8.797 1.00 30.22 H new ATOM 0 HB3 TYR A 87 1.176 -0.446 -8.627 1.00 30.22 H new ATOM 0 HD1 TYR A 87 0.317 -3.803 -9.968 1.00 35.14 H new ATOM 0 HD2 TYR A 87 3.198 -0.663 -9.914 1.00 14.21 H new ATOM 0 HE1 TYR A 87 1.490 -4.849 -11.853 1.00 24.15 H new ATOM 0 HE2 TYR A 87 4.371 -1.706 -11.800 1.00 50.25 H new ATOM 0 HH TYR A 87 4.440 -3.384 -13.236 1.00 15.42 H new ATOM 1380 N ALA A 88 3.537 -3.063 -7.426 1.00 55.31 N ATOM 1381 CA ALA A 88 4.527 -4.119 -7.594 1.00 34.35 C ATOM 1382 C ALA A 88 4.352 -5.207 -6.539 1.00 4.10 C ATOM 1383 O ALA A 88 4.112 -6.369 -6.866 1.00 21.00 O ATOM 1384 CB ALA A 88 5.932 -3.540 -7.530 1.00 62.31 C ATOM 0 H ALA A 88 3.932 -2.136 -7.269 1.00 55.31 H new ATOM 0 HA ALA A 88 4.377 -4.572 -8.574 1.00 34.35 H new ATOM 0 HB1 ALA A 88 6.661 -4.340 -7.657 1.00 62.31 H new ATOM 0 HB2 ALA A 88 6.059 -2.804 -8.324 1.00 62.31 H new ATOM 0 HB3 ALA A 88 6.084 -3.060 -6.563 1.00 62.31 H new ATOM 1390 N SER A 89 4.476 -4.822 -5.273 1.00 32.23 N ATOM 1391 CA SER A 89 4.336 -5.766 -4.170 1.00 24.10 C ATOM 1392 C SER A 89 2.875 -5.901 -3.751 1.00 45.35 C ATOM 1393 O SER A 89 2.558 -6.579 -2.774 1.00 41.43 O ATOM 1394 CB SER A 89 5.181 -5.317 -2.976 1.00 43.23 C ATOM 1395 OG SER A 89 5.086 -6.242 -1.907 1.00 12.31 O ATOM 0 H SER A 89 4.673 -3.863 -4.985 1.00 32.23 H new ATOM 0 HA SER A 89 4.689 -6.739 -4.511 1.00 24.10 H new ATOM 0 HB2 SER A 89 6.222 -5.215 -3.281 1.00 43.23 H new ATOM 0 HB3 SER A 89 4.849 -4.334 -2.641 1.00 43.23 H new ATOM 0 HG SER A 89 4.191 -6.642 -1.899 1.00 12.31 H new ATOM 1401 N SER A 90 1.990 -5.250 -4.499 1.00 10.41 N ATOM 1402 CA SER A 90 0.562 -5.292 -4.204 1.00 65.45 C ATOM 1403 C SER A 90 -0.169 -6.197 -5.192 1.00 21.14 C ATOM 1404 O SER A 90 -1.269 -6.677 -4.915 1.00 42.34 O ATOM 1405 CB SER A 90 -0.032 -3.883 -4.250 1.00 23.41 C ATOM 1406 OG SER A 90 -1.323 -3.855 -3.667 1.00 71.41 O ATOM 0 H SER A 90 2.236 -4.687 -5.313 1.00 10.41 H new ATOM 0 HA SER A 90 0.435 -5.699 -3.201 1.00 65.45 H new ATOM 0 HB2 SER A 90 0.624 -3.191 -3.722 1.00 23.41 H new ATOM 0 HB3 SER A 90 -0.089 -3.542 -5.284 1.00 23.41 H new ATOM 0 HG SER A 90 -1.680 -2.943 -3.707 1.00 71.41 H new ATOM 1412 N LYS A 91 0.450 -6.426 -6.345 1.00 21.33 N ATOM 1413 CA LYS A 91 -0.139 -7.274 -7.375 1.00 1.14 C ATOM 1414 C LYS A 91 -0.456 -8.660 -6.823 1.00 31.14 C ATOM 1415 O LYS A 91 -1.275 -9.389 -7.383 1.00 25.30 O ATOM 1416 CB LYS A 91 0.810 -7.394 -8.569 1.00 53.15 C ATOM 1417 CG LYS A 91 1.553 -8.717 -8.626 1.00 32.44 C ATOM 1418 CD LYS A 91 2.544 -8.849 -7.482 1.00 22.23 C ATOM 1419 CE LYS A 91 3.967 -9.018 -7.993 1.00 54.34 C ATOM 1420 NZ LYS A 91 4.921 -9.317 -6.890 1.00 41.13 N ATOM 0 H LYS A 91 1.360 -6.036 -6.590 1.00 21.33 H new ATOM 0 HA LYS A 91 -1.070 -6.811 -7.703 1.00 1.14 H new ATOM 0 HB2 LYS A 91 0.240 -7.267 -9.489 1.00 53.15 H new ATOM 0 HB3 LYS A 91 1.535 -6.581 -8.529 1.00 53.15 H new ATOM 0 HG2 LYS A 91 0.838 -9.539 -8.586 1.00 32.44 H new ATOM 0 HG3 LYS A 91 2.080 -8.799 -9.577 1.00 32.44 H new ATOM 0 HD2 LYS A 91 2.487 -7.965 -6.846 1.00 22.23 H new ATOM 0 HD3 LYS A 91 2.275 -9.705 -6.863 1.00 22.23 H new ATOM 0 HE2 LYS A 91 3.996 -9.824 -8.727 1.00 54.34 H new ATOM 0 HE3 LYS A 91 4.279 -8.108 -8.506 1.00 54.34 H new ATOM 0 HZ1 LYS A 91 5.819 -9.656 -7.290 1.00 41.13 H new ATOM 0 HZ2 LYS A 91 5.093 -8.454 -6.336 1.00 41.13 H new ATOM 0 HZ3 LYS A 91 4.519 -10.050 -6.272 1.00 41.13 H new ATOM 1434 N ASP A 92 0.195 -9.016 -5.721 1.00 65.42 N ATOM 1435 CA ASP A 92 -0.019 -10.314 -5.092 1.00 32.40 C ATOM 1436 C ASP A 92 -1.402 -10.386 -4.452 1.00 11.10 C ATOM 1437 O ASP A 92 -1.933 -11.471 -4.219 1.00 35.14 O ATOM 1438 CB ASP A 92 1.058 -10.579 -4.039 1.00 20.00 C ATOM 1439 CG ASP A 92 1.767 -11.901 -4.256 1.00 22.31 C ATOM 1440 OD1 ASP A 92 1.211 -12.946 -3.856 1.00 51.15 O ATOM 1441 OD2 ASP A 92 2.878 -11.892 -4.826 1.00 1.32 O ATOM 0 H ASP A 92 0.875 -8.424 -5.245 1.00 65.42 H new ATOM 0 HA ASP A 92 0.044 -11.079 -5.865 1.00 32.40 H new ATOM 0 HB2 ASP A 92 1.789 -9.771 -4.060 1.00 20.00 H new ATOM 0 HB3 ASP A 92 0.603 -10.572 -3.049 1.00 20.00 H new ATOM 1446 N ALA A 93 -1.979 -9.222 -4.170 1.00 22.33 N ATOM 1447 CA ALA A 93 -3.300 -9.153 -3.558 1.00 21.04 C ATOM 1448 C ALA A 93 -4.387 -8.997 -4.615 1.00 54.21 C ATOM 1449 O ALA A 93 -5.383 -9.722 -4.608 1.00 52.22 O ATOM 1450 CB ALA A 93 -3.361 -8.004 -2.562 1.00 25.33 C ATOM 0 H ALA A 93 -1.552 -8.314 -4.356 1.00 22.33 H new ATOM 0 HA ALA A 93 -3.477 -10.089 -3.028 1.00 21.04 H new ATOM 0 HB1 ALA A 93 -4.353 -7.964 -2.113 1.00 25.33 H new ATOM 0 HB2 ALA A 93 -2.615 -8.159 -1.782 1.00 25.33 H new ATOM 0 HB3 ALA A 93 -3.158 -7.065 -3.077 1.00 25.33 H new ATOM 1456 N LEU A 94 -4.191 -8.047 -5.523 1.00 14.45 N ATOM 1457 CA LEU A 94 -5.156 -7.795 -6.587 1.00 55.41 C ATOM 1458 C LEU A 94 -5.413 -9.059 -7.400 1.00 60.42 C ATOM 1459 O LEU A 94 -6.553 -9.508 -7.528 1.00 12.21 O ATOM 1460 CB LEU A 94 -4.654 -6.678 -7.504 1.00 61.32 C ATOM 1461 CG LEU A 94 -4.627 -5.274 -6.900 1.00 12.03 C ATOM 1462 CD1 LEU A 94 -5.897 -5.010 -6.106 1.00 32.43 C ATOM 1463 CD2 LEU A 94 -3.399 -5.096 -6.019 1.00 41.53 C ATOM 0 H LEU A 94 -3.372 -7.439 -5.543 1.00 14.45 H new ATOM 0 HA LEU A 94 -6.094 -7.485 -6.127 1.00 55.41 H new ATOM 0 HB2 LEU A 94 -3.645 -6.930 -7.832 1.00 61.32 H new ATOM 0 HB3 LEU A 94 -5.282 -6.657 -8.394 1.00 61.32 H new ATOM 0 HG LEU A 94 -4.574 -4.550 -7.713 1.00 12.03 H new ATOM 0 HD11 LEU A 94 -5.860 -4.006 -5.684 1.00 32.43 H new ATOM 0 HD12 LEU A 94 -6.762 -5.095 -6.764 1.00 32.43 H new ATOM 0 HD13 LEU A 94 -5.981 -5.740 -5.301 1.00 32.43 H new ATOM 0 HD21 LEU A 94 -3.396 -4.091 -5.597 1.00 41.53 H new ATOM 0 HD22 LEU A 94 -3.421 -5.828 -5.212 1.00 41.53 H new ATOM 0 HD23 LEU A 94 -2.499 -5.242 -6.616 1.00 41.53 H new ATOM 1475 N LEU A 95 -4.346 -9.632 -7.947 1.00 1.35 N ATOM 1476 CA LEU A 95 -4.455 -10.847 -8.746 1.00 24.32 C ATOM 1477 C LEU A 95 -5.078 -11.979 -7.934 1.00 45.33 C ATOM 1478 O LEU A 95 -5.624 -12.930 -8.493 1.00 32.12 O ATOM 1479 CB LEU A 95 -3.076 -11.270 -9.257 1.00 12.00 C ATOM 1480 CG LEU A 95 -2.603 -10.597 -10.546 1.00 3.44 C ATOM 1481 CD1 LEU A 95 -1.089 -10.675 -10.663 1.00 45.54 C ATOM 1482 CD2 LEU A 95 -3.267 -11.235 -11.756 1.00 73.34 C ATOM 0 H LEU A 95 -3.396 -9.274 -7.851 1.00 1.35 H new ATOM 0 HA LEU A 95 -5.103 -10.636 -9.597 1.00 24.32 H new ATOM 0 HB2 LEU A 95 -2.343 -11.068 -8.475 1.00 12.00 H new ATOM 0 HB3 LEU A 95 -3.084 -12.348 -9.416 1.00 12.00 H new ATOM 0 HG LEU A 95 -2.891 -9.546 -10.512 1.00 3.44 H new ATOM 0 HD11 LEU A 95 -0.770 -10.191 -11.586 1.00 45.54 H new ATOM 0 HD12 LEU A 95 -0.632 -10.170 -9.812 1.00 45.54 H new ATOM 0 HD13 LEU A 95 -0.778 -11.720 -10.675 1.00 45.54 H new ATOM 0 HD21 LEU A 95 -2.918 -10.743 -12.664 1.00 73.34 H new ATOM 0 HD22 LEU A 95 -3.011 -12.294 -11.796 1.00 73.34 H new ATOM 0 HD23 LEU A 95 -4.349 -11.126 -11.677 1.00 73.34 H new ATOM 1494 N LYS A 96 -4.993 -11.868 -6.613 1.00 32.01 N ATOM 1495 CA LYS A 96 -5.551 -12.879 -5.723 1.00 33.12 C ATOM 1496 C LYS A 96 -7.036 -12.629 -5.478 1.00 50.04 C ATOM 1497 O LYS A 96 -7.841 -13.560 -5.476 1.00 72.45 O ATOM 1498 CB LYS A 96 -4.798 -12.887 -4.390 1.00 54.35 C ATOM 1499 CG LYS A 96 -3.730 -13.963 -4.302 1.00 1.51 C ATOM 1500 CD LYS A 96 -2.759 -13.882 -5.468 1.00 52.21 C ATOM 1501 CE LYS A 96 -3.155 -14.831 -6.589 1.00 42.42 C ATOM 1502 NZ LYS A 96 -1.965 -15.410 -7.271 1.00 44.15 N ATOM 0 H LYS A 96 -4.543 -11.088 -6.135 1.00 32.01 H new ATOM 0 HA LYS A 96 -5.438 -13.851 -6.203 1.00 33.12 H new ATOM 0 HB2 LYS A 96 -4.334 -11.913 -4.239 1.00 54.35 H new ATOM 0 HB3 LYS A 96 -5.513 -13.029 -3.579 1.00 54.35 H new ATOM 0 HG2 LYS A 96 -3.184 -13.859 -3.365 1.00 1.51 H new ATOM 0 HG3 LYS A 96 -4.202 -14.945 -4.288 1.00 1.51 H new ATOM 0 HD2 LYS A 96 -2.729 -12.861 -5.848 1.00 52.21 H new ATOM 0 HD3 LYS A 96 -1.754 -14.124 -5.123 1.00 52.21 H new ATOM 0 HE2 LYS A 96 -3.769 -15.636 -6.184 1.00 42.42 H new ATOM 0 HE3 LYS A 96 -3.767 -14.298 -7.317 1.00 42.42 H new ATOM 0 HZ1 LYS A 96 -2.277 -16.051 -8.028 1.00 44.15 H new ATOM 0 HZ2 LYS A 96 -1.392 -14.644 -7.680 1.00 44.15 H new ATOM 0 HZ3 LYS A 96 -1.394 -15.940 -6.582 1.00 44.15 H new ATOM 1516 N LYS A 97 -7.393 -11.366 -5.274 1.00 3.53 N ATOM 1517 CA LYS A 97 -8.781 -10.992 -5.031 1.00 41.41 C ATOM 1518 C LYS A 97 -9.620 -11.166 -6.293 1.00 21.11 C ATOM 1519 O LYS A 97 -10.773 -11.595 -6.230 1.00 23.52 O ATOM 1520 CB LYS A 97 -8.863 -9.542 -4.548 1.00 11.14 C ATOM 1521 CG LYS A 97 -8.228 -9.318 -3.186 1.00 51.11 C ATOM 1522 CD LYS A 97 -8.835 -10.228 -2.131 1.00 64.14 C ATOM 1523 CE LYS A 97 -7.879 -11.346 -1.744 1.00 2.15 C ATOM 1524 NZ LYS A 97 -8.314 -12.041 -0.500 1.00 64.04 N ATOM 0 H LYS A 97 -6.739 -10.583 -5.272 1.00 3.53 H new ATOM 0 HA LYS A 97 -9.178 -11.649 -4.258 1.00 41.41 H new ATOM 0 HB2 LYS A 97 -8.375 -8.896 -5.278 1.00 11.14 H new ATOM 0 HB3 LYS A 97 -9.910 -9.240 -4.506 1.00 11.14 H new ATOM 0 HG2 LYS A 97 -7.155 -9.499 -3.250 1.00 51.11 H new ATOM 0 HG3 LYS A 97 -8.359 -8.277 -2.889 1.00 51.11 H new ATOM 0 HD2 LYS A 97 -9.090 -9.643 -1.247 1.00 64.14 H new ATOM 0 HD3 LYS A 97 -9.764 -10.656 -2.509 1.00 64.14 H new ATOM 0 HE2 LYS A 97 -7.814 -12.067 -2.559 1.00 2.15 H new ATOM 0 HE3 LYS A 97 -6.879 -10.936 -1.601 1.00 2.15 H new ATOM 0 HZ1 LYS A 97 -7.637 -12.796 -0.269 1.00 64.04 H new ATOM 0 HZ2 LYS A 97 -8.352 -11.359 0.284 1.00 64.04 H new ATOM 0 HZ3 LYS A 97 -9.257 -12.454 -0.645 1.00 64.04 H new ATOM 1538 N LEU A 98 -9.035 -10.832 -7.438 1.00 23.23 N ATOM 1539 CA LEU A 98 -9.728 -10.954 -8.715 1.00 52.44 C ATOM 1540 C LEU A 98 -10.287 -12.361 -8.900 1.00 44.03 C ATOM 1541 O LEU A 98 -10.035 -13.251 -8.088 1.00 14.03 O ATOM 1542 CB LEU A 98 -8.780 -10.613 -9.867 1.00 34.41 C ATOM 1543 CG LEU A 98 -8.260 -9.176 -9.905 1.00 61.14 C ATOM 1544 CD1 LEU A 98 -6.857 -9.132 -10.490 1.00 42.03 C ATOM 1545 CD2 LEU A 98 -9.202 -8.289 -10.707 1.00 22.14 C ATOM 0 H LEU A 98 -8.082 -10.475 -7.508 1.00 23.23 H new ATOM 0 HA LEU A 98 -10.560 -10.250 -8.717 1.00 52.44 H new ATOM 0 HB2 LEU A 98 -7.924 -11.287 -9.819 1.00 34.41 H new ATOM 0 HB3 LEU A 98 -9.294 -10.817 -10.806 1.00 34.41 H new ATOM 0 HG LEU A 98 -8.218 -8.798 -8.884 1.00 61.14 H new ATOM 0 HD11 LEU A 98 -6.503 -8.101 -10.509 1.00 42.03 H new ATOM 0 HD12 LEU A 98 -6.188 -9.734 -9.876 1.00 42.03 H new ATOM 0 HD13 LEU A 98 -6.873 -9.529 -11.505 1.00 42.03 H new ATOM 0 HD21 LEU A 98 -8.816 -7.270 -10.723 1.00 22.14 H new ATOM 0 HD22 LEU A 98 -9.276 -8.666 -11.727 1.00 22.14 H new ATOM 0 HD23 LEU A 98 -10.189 -8.296 -10.245 1.00 22.14 H new ATOM 1557 N ASP A 99 -11.043 -12.555 -9.975 1.00 31.11 N ATOM 1558 CA ASP A 99 -11.635 -13.855 -10.269 1.00 24.32 C ATOM 1559 C ASP A 99 -11.351 -14.268 -11.710 1.00 14.20 C ATOM 1560 O ASP A 99 -11.986 -13.777 -12.643 1.00 31.42 O ATOM 1561 CB ASP A 99 -13.144 -13.820 -10.022 1.00 64.33 C ATOM 1562 CG ASP A 99 -13.511 -14.262 -8.619 1.00 55.24 C ATOM 1563 OD1 ASP A 99 -13.403 -13.435 -7.689 1.00 61.23 O ATOM 1564 OD2 ASP A 99 -13.909 -15.434 -8.452 1.00 2.54 O ATOM 0 H ASP A 99 -11.260 -11.829 -10.657 1.00 31.11 H new ATOM 0 HA ASP A 99 -11.184 -14.591 -9.604 1.00 24.32 H new ATOM 0 HB2 ASP A 99 -13.513 -12.808 -10.189 1.00 64.33 H new ATOM 0 HB3 ASP A 99 -13.643 -14.465 -10.745 1.00 64.33 H new ATOM 1569 N GLY A 100 -10.393 -15.172 -11.884 1.00 25.40 N ATOM 1570 CA GLY A 100 -10.041 -15.635 -13.214 1.00 52.50 C ATOM 1571 C GLY A 100 -8.832 -14.915 -13.777 1.00 63.11 C ATOM 1572 O GLY A 100 -8.248 -15.351 -14.769 1.00 22.13 O ATOM 0 H GLY A 100 -9.854 -15.593 -11.127 1.00 25.40 H new ATOM 0 HA2 GLY A 100 -9.840 -16.706 -13.181 1.00 52.50 H new ATOM 0 HA3 GLY A 100 -10.890 -15.491 -13.882 1.00 52.50 H new ATOM 1576 N ALA A 101 -8.455 -13.809 -13.144 1.00 55.32 N ATOM 1577 CA ALA A 101 -7.308 -13.028 -13.588 1.00 3.51 C ATOM 1578 C ALA A 101 -6.057 -13.895 -13.683 1.00 0.22 C ATOM 1579 O ALA A 101 -5.729 -14.634 -12.754 1.00 43.10 O ATOM 1580 CB ALA A 101 -7.070 -11.857 -12.646 1.00 11.33 C ATOM 0 H ALA A 101 -8.928 -13.434 -12.322 1.00 55.32 H new ATOM 0 HA ALA A 101 -7.527 -12.641 -14.583 1.00 3.51 H new ATOM 0 HB1 ALA A 101 -6.210 -11.282 -12.990 1.00 11.33 H new ATOM 0 HB2 ALA A 101 -7.952 -11.217 -12.631 1.00 11.33 H new ATOM 0 HB3 ALA A 101 -6.877 -12.232 -11.641 1.00 11.33 H new ATOM 1586 N THR A 102 -5.361 -13.801 -14.812 1.00 15.10 N ATOM 1587 CA THR A 102 -4.148 -14.578 -15.029 1.00 61.20 C ATOM 1588 C THR A 102 -3.016 -13.698 -15.547 1.00 12.35 C ATOM 1589 O THR A 102 -3.073 -12.473 -15.442 1.00 3.11 O ATOM 1590 CB THR A 102 -4.387 -15.727 -16.027 1.00 53.54 C ATOM 1591 OG1 THR A 102 -4.336 -15.228 -17.369 1.00 21.12 O ATOM 1592 CG2 THR A 102 -5.734 -16.388 -15.778 1.00 72.32 C ATOM 0 H THR A 102 -5.617 -13.194 -15.590 1.00 15.10 H new ATOM 0 HA THR A 102 -3.866 -14.998 -14.064 1.00 61.20 H new ATOM 0 HB THR A 102 -3.603 -16.471 -15.886 1.00 53.54 H new ATOM 0 HG1 THR A 102 -4.487 -15.964 -17.998 1.00 21.12 H new ATOM 0 HG21 THR A 102 -5.881 -17.196 -16.495 1.00 72.32 H new ATOM 0 HG22 THR A 102 -5.760 -16.791 -14.766 1.00 72.32 H new ATOM 0 HG23 THR A 102 -6.528 -15.651 -15.895 1.00 72.32 H new ATOM 1600 N ALA A 103 -1.989 -14.330 -16.106 1.00 15.34 N ATOM 1601 CA ALA A 103 -0.846 -13.603 -16.642 1.00 45.11 C ATOM 1602 C ALA A 103 -1.269 -12.670 -17.772 1.00 25.11 C ATOM 1603 O ALA A 103 -0.508 -11.795 -18.185 1.00 51.34 O ATOM 1604 CB ALA A 103 0.217 -14.577 -17.129 1.00 43.40 C ATOM 0 H ALA A 103 -1.926 -15.344 -16.199 1.00 15.34 H new ATOM 0 HA ALA A 103 -0.426 -12.994 -15.842 1.00 45.11 H new ATOM 0 HB1 ALA A 103 1.065 -14.020 -17.527 1.00 43.40 H new ATOM 0 HB2 ALA A 103 0.549 -15.199 -16.298 1.00 43.40 H new ATOM 0 HB3 ALA A 103 -0.201 -15.210 -17.912 1.00 43.40 H new ATOM 1610 N VAL A 104 -2.486 -12.864 -18.268 1.00 54.43 N ATOM 1611 CA VAL A 104 -3.011 -12.039 -19.351 1.00 23.24 C ATOM 1612 C VAL A 104 -2.782 -10.558 -19.073 1.00 40.31 C ATOM 1613 O VAL A 104 -2.655 -9.755 -19.997 1.00 72.13 O ATOM 1614 CB VAL A 104 -4.516 -12.284 -19.564 1.00 14.14 C ATOM 1615 CG1 VAL A 104 -4.748 -13.619 -20.254 1.00 71.14 C ATOM 1616 CG2 VAL A 104 -5.258 -12.225 -18.237 1.00 13.11 C ATOM 0 H VAL A 104 -3.128 -13.585 -17.938 1.00 54.43 H new ATOM 0 HA VAL A 104 -2.473 -12.323 -20.255 1.00 23.24 H new ATOM 0 HB VAL A 104 -4.907 -11.497 -20.209 1.00 14.14 H new ATOM 0 HG11 VAL A 104 -5.818 -13.774 -20.396 1.00 71.14 H new ATOM 0 HG12 VAL A 104 -4.250 -13.619 -21.223 1.00 71.14 H new ATOM 0 HG13 VAL A 104 -4.343 -14.422 -19.638 1.00 71.14 H new ATOM 0 HG21 VAL A 104 -6.320 -12.400 -18.406 1.00 13.11 H new ATOM 0 HG22 VAL A 104 -4.866 -12.990 -17.567 1.00 13.11 H new ATOM 0 HG23 VAL A 104 -5.120 -11.242 -17.786 1.00 13.11 H new ATOM 1626 N ALA A 105 -2.730 -10.202 -17.794 1.00 22.13 N ATOM 1627 CA ALA A 105 -2.514 -8.817 -17.394 1.00 23.11 C ATOM 1628 C ALA A 105 -1.201 -8.282 -17.956 1.00 52.13 C ATOM 1629 O ALA A 105 -0.216 -9.013 -18.064 1.00 61.20 O ATOM 1630 CB ALA A 105 -2.528 -8.697 -15.877 1.00 72.22 C ATOM 0 H ALA A 105 -2.835 -10.854 -17.017 1.00 22.13 H new ATOM 0 HA ALA A 105 -3.326 -8.216 -17.803 1.00 23.11 H new ATOM 0 HB1 ALA A 105 -2.365 -7.657 -15.593 1.00 72.22 H new ATOM 0 HB2 ALA A 105 -3.492 -9.031 -15.494 1.00 72.22 H new ATOM 0 HB3 ALA A 105 -1.736 -9.316 -15.456 1.00 72.22 H new ATOM 1636 N LEU A 106 -1.194 -7.003 -18.314 1.00 54.41 N ATOM 1637 CA LEU A 106 -0.002 -6.369 -18.867 1.00 31.04 C ATOM 1638 C LEU A 106 0.175 -4.961 -18.308 1.00 11.14 C ATOM 1639 O LEU A 106 -0.674 -4.093 -18.507 1.00 35.15 O ATOM 1640 CB LEU A 106 -0.089 -6.317 -20.393 1.00 10.11 C ATOM 1641 CG LEU A 106 1.238 -6.421 -21.145 1.00 5.43 C ATOM 1642 CD1 LEU A 106 2.214 -5.363 -20.654 1.00 1.55 C ATOM 1643 CD2 LEU A 106 1.834 -7.812 -20.986 1.00 73.15 C ATOM 0 H LEU A 106 -2.001 -6.384 -18.231 1.00 54.41 H new ATOM 0 HA LEU A 106 0.863 -6.966 -18.579 1.00 31.04 H new ATOM 0 HB2 LEU A 106 -0.738 -7.127 -20.728 1.00 10.11 H new ATOM 0 HB3 LEU A 106 -0.573 -5.383 -20.678 1.00 10.11 H new ATOM 0 HG LEU A 106 1.047 -6.248 -22.204 1.00 5.43 H new ATOM 0 HD11 LEU A 106 3.153 -5.452 -21.201 1.00 1.55 H new ATOM 0 HD12 LEU A 106 1.791 -4.372 -20.820 1.00 1.55 H new ATOM 0 HD13 LEU A 106 2.399 -5.505 -19.589 1.00 1.55 H new ATOM 0 HD21 LEU A 106 2.778 -7.867 -21.528 1.00 73.15 H new ATOM 0 HD22 LEU A 106 2.010 -8.014 -19.929 1.00 73.15 H new ATOM 0 HD23 LEU A 106 1.142 -8.552 -21.387 1.00 73.15 H new ATOM 1655 N GLU A 107 1.285 -4.742 -17.610 1.00 11.15 N ATOM 1656 CA GLU A 107 1.573 -3.438 -17.023 1.00 61.24 C ATOM 1657 C GLU A 107 2.640 -2.703 -17.830 1.00 55.21 C ATOM 1658 O GLU A 107 3.830 -2.990 -17.712 1.00 23.12 O ATOM 1659 CB GLU A 107 2.034 -3.597 -15.573 1.00 43.01 C ATOM 1660 CG GLU A 107 1.213 -4.599 -14.780 1.00 21.44 C ATOM 1661 CD GLU A 107 1.973 -5.880 -14.493 1.00 5.42 C ATOM 1662 OE1 GLU A 107 2.846 -6.247 -15.307 1.00 31.31 O ATOM 1663 OE2 GLU A 107 1.696 -6.514 -13.453 1.00 53.42 O ATOM 0 H GLU A 107 1.999 -5.450 -17.437 1.00 11.15 H new ATOM 0 HA GLU A 107 0.656 -2.849 -17.042 1.00 61.24 H new ATOM 0 HB2 GLU A 107 3.079 -3.908 -15.565 1.00 43.01 H new ATOM 0 HB3 GLU A 107 1.986 -2.628 -15.077 1.00 43.01 H new ATOM 0 HG2 GLU A 107 0.904 -4.146 -13.838 1.00 21.44 H new ATOM 0 HG3 GLU A 107 0.304 -4.836 -15.333 1.00 21.44 H new ATOM 1670 N ALA A 108 2.202 -1.753 -18.651 1.00 23.15 N ATOM 1671 CA ALA A 108 3.118 -0.975 -19.476 1.00 21.42 C ATOM 1672 C ALA A 108 2.633 0.462 -19.630 1.00 33.05 C ATOM 1673 O ALA A 108 1.431 0.729 -19.599 1.00 31.33 O ATOM 1674 CB ALA A 108 3.282 -1.628 -20.840 1.00 45.14 C ATOM 0 H ALA A 108 1.219 -1.504 -18.762 1.00 23.15 H new ATOM 0 HA ALA A 108 4.087 -0.951 -18.977 1.00 21.42 H new ATOM 0 HB1 ALA A 108 3.969 -1.037 -21.446 1.00 45.14 H new ATOM 0 HB2 ALA A 108 3.682 -2.634 -20.716 1.00 45.14 H new ATOM 0 HB3 ALA A 108 2.313 -1.681 -21.337 1.00 45.14 H new ATOM 1680 N HIS A 109 3.575 1.385 -19.795 1.00 14.45 N ATOM 1681 CA HIS A 109 3.242 2.797 -19.953 1.00 21.30 C ATOM 1682 C HIS A 109 3.543 3.270 -21.372 1.00 71.30 C ATOM 1683 O HIS A 109 4.694 3.537 -21.716 1.00 13.24 O ATOM 1684 CB HIS A 109 4.021 3.642 -18.945 1.00 43.22 C ATOM 1685 CG HIS A 109 5.471 3.278 -18.852 1.00 1.11 C ATOM 1686 ND1 HIS A 109 5.939 2.246 -18.066 1.00 72.13 N ATOM 1687 CD2 HIS A 109 6.559 3.814 -19.453 1.00 0.32 C ATOM 1688 CE1 HIS A 109 7.252 2.164 -18.187 1.00 11.14 C ATOM 1689 NE2 HIS A 109 7.653 3.105 -19.023 1.00 21.52 N ATOM 0 H HIS A 109 4.574 1.181 -19.823 1.00 14.45 H new ATOM 0 HA HIS A 109 2.175 2.917 -19.768 1.00 21.30 H new ATOM 0 HB2 HIS A 109 3.936 4.693 -19.221 1.00 43.22 H new ATOM 0 HB3 HIS A 109 3.564 3.533 -17.962 1.00 43.22 H new ATOM 0 HD2 HIS A 109 6.565 4.645 -20.143 1.00 0.32 H new ATOM 0 HE1 HIS A 109 7.889 1.449 -17.687 1.00 11.14 H new ATOM 0 HE2 HIS A 109 8.619 3.277 -19.303 1.00 21.52 H new ATOM 1697 N GLU A 110 2.500 3.369 -22.191 1.00 5.30 N ATOM 1698 CA GLU A 110 2.655 3.808 -23.573 1.00 12.41 C ATOM 1699 C GLU A 110 1.314 4.240 -24.160 1.00 32.52 C ATOM 1700 O GLU A 110 0.255 3.835 -23.680 1.00 25.25 O ATOM 1701 CB GLU A 110 3.260 2.689 -24.423 1.00 34.24 C ATOM 1702 CG GLU A 110 2.775 1.302 -24.036 1.00 31.42 C ATOM 1703 CD GLU A 110 2.604 0.388 -25.234 1.00 2.10 C ATOM 1704 OE1 GLU A 110 2.158 0.877 -26.293 1.00 43.22 O ATOM 1705 OE2 GLU A 110 2.916 -0.815 -25.113 1.00 12.12 O ATOM 0 H GLU A 110 1.540 3.152 -21.922 1.00 5.30 H new ATOM 0 HA GLU A 110 3.329 4.665 -23.582 1.00 12.41 H new ATOM 0 HB2 GLU A 110 3.020 2.870 -25.471 1.00 34.24 H new ATOM 0 HB3 GLU A 110 4.346 2.723 -24.334 1.00 34.24 H new ATOM 0 HG2 GLU A 110 3.485 0.854 -23.340 1.00 31.42 H new ATOM 0 HG3 GLU A 110 1.824 1.387 -23.510 1.00 31.42 H new ATOM 1712 N MET A 111 1.368 5.064 -25.201 1.00 32.30 N ATOM 1713 CA MET A 111 0.158 5.549 -25.854 1.00 52.51 C ATOM 1714 C MET A 111 -0.363 4.529 -26.862 1.00 12.54 C ATOM 1715 O MET A 111 -1.571 4.387 -27.047 1.00 20.32 O ATOM 1716 CB MET A 111 0.431 6.882 -26.554 1.00 55.05 C ATOM 1717 CG MET A 111 -0.696 7.328 -27.473 1.00 22.41 C ATOM 1718 SD MET A 111 -1.122 9.066 -27.256 1.00 35.10 S ATOM 1719 CE MET A 111 -2.207 9.326 -28.658 1.00 23.13 C ATOM 0 H MET A 111 2.236 5.410 -25.610 1.00 32.30 H new ATOM 0 HA MET A 111 -0.604 5.698 -25.089 1.00 52.51 H new ATOM 0 HB2 MET A 111 0.600 7.651 -25.800 1.00 55.05 H new ATOM 0 HB3 MET A 111 1.350 6.797 -27.134 1.00 55.05 H new ATOM 0 HG2 MET A 111 -0.404 7.156 -28.509 1.00 22.41 H new ATOM 0 HG3 MET A 111 -1.578 6.715 -27.284 1.00 22.41 H new ATOM 0 HE1 MET A 111 -2.555 10.359 -28.662 1.00 23.13 H new ATOM 0 HE2 MET A 111 -1.664 9.122 -29.581 1.00 23.13 H new ATOM 0 HE3 MET A 111 -3.063 8.655 -28.585 1.00 23.13 H new ATOM 1729 N GLY A 112 0.557 3.822 -27.511 1.00 13.12 N ATOM 1730 CA GLY A 112 0.170 2.825 -28.492 1.00 30.13 C ATOM 1731 C GLY A 112 -0.600 1.674 -27.875 1.00 64.45 C ATOM 1732 O GLY A 112 -1.213 0.877 -28.586 1.00 62.02 O ATOM 0 H GLY A 112 1.563 3.922 -27.375 1.00 13.12 H new ATOM 0 HA2 GLY A 112 -0.441 3.296 -29.262 1.00 30.13 H new ATOM 0 HA3 GLY A 112 1.062 2.439 -28.985 1.00 30.13 H new ATOM 1736 N ASP A 113 -0.567 1.584 -26.550 1.00 42.15 N ATOM 1737 CA ASP A 113 -1.266 0.521 -25.838 1.00 72.14 C ATOM 1738 C ASP A 113 -2.777 0.710 -25.928 1.00 33.14 C ATOM 1739 O ASP A 113 -3.534 -0.261 -25.972 1.00 63.24 O ATOM 1740 CB ASP A 113 -0.830 0.487 -24.373 1.00 23.41 C ATOM 1741 CG ASP A 113 -0.113 -0.800 -24.012 1.00 51.23 C ATOM 1742 OD1 ASP A 113 -0.475 -1.857 -24.570 1.00 50.53 O ATOM 1743 OD2 ASP A 113 0.809 -0.750 -23.171 1.00 60.13 O ATOM 0 H ASP A 113 -0.063 2.235 -25.947 1.00 42.15 H new ATOM 0 HA ASP A 113 -1.008 -0.428 -26.307 1.00 72.14 H new ATOM 0 HB2 ASP A 113 -0.174 1.334 -24.173 1.00 23.41 H new ATOM 0 HB3 ASP A 113 -1.705 0.604 -23.734 1.00 23.41 H new ATOM 1748 N LEU A 114 -3.211 1.965 -25.952 1.00 2.40 N ATOM 1749 CA LEU A 114 -4.632 2.283 -26.035 1.00 33.53 C ATOM 1750 C LEU A 114 -5.035 2.607 -27.470 1.00 32.03 C ATOM 1751 O LEU A 114 -6.163 3.026 -27.729 1.00 1.15 O ATOM 1752 CB LEU A 114 -4.966 3.462 -25.120 1.00 41.41 C ATOM 1753 CG LEU A 114 -4.361 3.416 -23.717 1.00 30.45 C ATOM 1754 CD1 LEU A 114 -4.747 4.657 -22.927 1.00 70.22 C ATOM 1755 CD2 LEU A 114 -4.806 2.157 -22.986 1.00 22.01 C ATOM 0 H LEU A 114 -2.599 2.780 -25.915 1.00 2.40 H new ATOM 0 HA LEU A 114 -5.194 1.408 -25.709 1.00 33.53 H new ATOM 0 HB2 LEU A 114 -4.634 4.379 -25.607 1.00 41.41 H new ATOM 0 HB3 LEU A 114 -6.050 3.526 -25.024 1.00 41.41 H new ATOM 0 HG LEU A 114 -3.275 3.394 -23.811 1.00 30.45 H new ATOM 0 HD11 LEU A 114 -4.307 4.606 -21.931 1.00 70.22 H new ATOM 0 HD12 LEU A 114 -4.379 5.545 -23.441 1.00 70.22 H new ATOM 0 HD13 LEU A 114 -5.832 4.711 -22.842 1.00 70.22 H new ATOM 0 HD21 LEU A 114 -4.366 2.140 -21.989 1.00 22.01 H new ATOM 0 HD22 LEU A 114 -5.893 2.149 -22.903 1.00 22.01 H new ATOM 0 HD23 LEU A 114 -4.478 1.279 -23.542 1.00 22.01 H new ATOM 1767 N ALA A 115 -4.106 2.408 -28.399 1.00 12.10 N ATOM 1768 CA ALA A 115 -4.366 2.675 -29.808 1.00 41.32 C ATOM 1769 C ALA A 115 -5.316 1.638 -30.398 1.00 12.55 C ATOM 1770 O ALA A 115 -6.414 1.957 -30.856 1.00 22.43 O ATOM 1771 CB ALA A 115 -3.061 2.702 -30.590 1.00 4.25 C ATOM 0 H ALA A 115 -3.167 2.063 -28.201 1.00 12.10 H new ATOM 0 HA ALA A 115 -4.843 3.652 -29.884 1.00 41.32 H new ATOM 0 HB1 ALA A 115 -3.271 2.902 -31.641 1.00 4.25 H new ATOM 0 HB2 ALA A 115 -2.415 3.485 -30.193 1.00 4.25 H new ATOM 0 HB3 ALA A 115 -2.561 1.738 -30.497 1.00 4.25 H new ATOM 1777 N PRO A 116 -4.887 0.368 -30.388 1.00 22.25 N ATOM 1778 CA PRO A 116 -5.685 -0.742 -30.918 1.00 2.42 C ATOM 1779 C PRO A 116 -6.904 -1.044 -30.053 1.00 51.34 C ATOM 1780 O PRO A 116 -7.863 -1.666 -30.511 1.00 35.30 O ATOM 1781 CB PRO A 116 -4.710 -1.921 -30.898 1.00 24.31 C ATOM 1782 CG PRO A 116 -3.725 -1.581 -29.833 1.00 34.25 C ATOM 1783 CD PRO A 116 -3.589 -0.084 -29.857 1.00 55.21 C ATOM 0 HA PRO A 116 -6.086 -0.520 -31.907 1.00 2.42 H new ATOM 0 HB2 PRO A 116 -5.224 -2.856 -30.677 1.00 24.31 H new ATOM 0 HB3 PRO A 116 -4.221 -2.047 -31.864 1.00 24.31 H new ATOM 0 HG2 PRO A 116 -4.070 -1.926 -28.858 1.00 34.25 H new ATOM 0 HG3 PRO A 116 -2.766 -2.063 -30.021 1.00 34.25 H new ATOM 0 HD2 PRO A 116 -3.400 0.318 -28.862 1.00 55.21 H new ATOM 0 HD3 PRO A 116 -2.762 0.234 -30.492 1.00 55.21 H new ATOM 1791 N LEU A 117 -6.861 -0.599 -28.802 1.00 73.14 N ATOM 1792 CA LEU A 117 -7.964 -0.822 -27.873 1.00 43.42 C ATOM 1793 C LEU A 117 -9.291 -0.390 -28.489 1.00 63.13 C ATOM 1794 O LEU A 117 -10.085 -1.224 -28.923 1.00 12.21 O ATOM 1795 CB LEU A 117 -7.721 -0.057 -26.570 1.00 62.45 C ATOM 1796 CG LEU A 117 -7.263 -0.895 -25.376 1.00 61.32 C ATOM 1797 CD1 LEU A 117 -6.060 -1.747 -25.751 1.00 41.34 C ATOM 1798 CD2 LEU A 117 -6.936 0.000 -24.190 1.00 44.54 C ATOM 0 H LEU A 117 -6.075 -0.082 -28.408 1.00 73.14 H new ATOM 0 HA LEU A 117 -8.015 -1.889 -27.657 1.00 43.42 H new ATOM 0 HB2 LEU A 117 -6.972 0.712 -26.758 1.00 62.45 H new ATOM 0 HB3 LEU A 117 -8.643 0.456 -26.296 1.00 62.45 H new ATOM 0 HG LEU A 117 -8.078 -1.560 -25.090 1.00 61.32 H new ATOM 0 HD11 LEU A 117 -5.748 -2.336 -24.889 1.00 41.34 H new ATOM 0 HD12 LEU A 117 -6.328 -2.415 -26.569 1.00 41.34 H new ATOM 0 HD13 LEU A 117 -5.240 -1.101 -26.064 1.00 41.34 H new ATOM 0 HD21 LEU A 117 -6.612 -0.614 -23.350 1.00 44.54 H new ATOM 0 HD22 LEU A 117 -6.138 0.690 -24.464 1.00 44.54 H new ATOM 0 HD23 LEU A 117 -7.823 0.566 -23.905 1.00 44.54 H new ATOM 1810 N ALA A 118 -9.522 0.918 -28.526 1.00 54.02 N ATOM 1811 CA ALA A 118 -10.751 1.461 -29.093 1.00 62.52 C ATOM 1812 C ALA A 118 -10.754 2.984 -29.038 1.00 55.45 C ATOM 1813 O ALA A 118 -10.721 3.652 -30.073 1.00 1.31 O ATOM 1814 CB ALA A 118 -11.962 0.901 -28.361 1.00 41.33 C ATOM 0 H ALA A 118 -8.875 1.621 -28.170 1.00 54.02 H new ATOM 0 HA ALA A 118 -10.803 1.162 -30.140 1.00 62.52 H new ATOM 0 HB1 ALA A 118 -12.873 1.315 -28.794 1.00 41.33 H new ATOM 0 HB2 ALA A 118 -11.975 -0.185 -28.457 1.00 41.33 H new ATOM 0 HB3 ALA A 118 -11.907 1.171 -27.307 1.00 41.33 H new TER 1820 ALA A 118