USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 536 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 9 SER OG : rot 35:sc= 1.57 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -166:sc= 1.2 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.095 X(o=-0.095,f=-0.12) USER MOD Single : A 4 HIS : no HD1:sc= -0.935 K(o=-0.93,f=-1.6) USER MOD Single : A 5 HIS : no HE2:sc= -0.091 K(o=-0.091,f=-0.83) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0418 X(o=-0.042,f=-0.54) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HE2:sc= -0.513 X(o=-0.51,f=-0.15) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 14 GLN : amide:sc= -0.0782 X(o=-0.078,f=-0.025) USER MOD Single : A 15 HIS : no HD1:sc=-0.00211 X(o=-0.0021,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -3.19 K(o=-3.2,f=-4.9!) USER MOD Single : A 35 THR OG1 : rot -135:sc= 0.964 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 131:sc= 0.556 USER MOD Single : A 48 SER OG : rot 75:sc= 0.705 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 57 THR OG1 : rot -44:sc= 0.855 USER MOD Single : A 58 HIS : no HD1:sc= -0.136 K(o=-0.14,f=-3.9!) USER MOD Single : A 59 GLN : amide:sc= -1.35 K(o=-1.3,f=-5.7!) USER MOD Single : A 66 SER OG : rot 88:sc= 0.736 USER MOD Single : A 67 ASN : amide:sc= -0.343 K(o=-0.34,f=-3.2!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.218 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.202 15.867 -11.665 1.00 43.33 N ATOM 2 CA MET A 1 -9.651 15.515 -13.043 1.00 10.11 C ATOM 3 C MET A 1 -8.455 15.455 -14.006 1.00 5.44 C ATOM 4 O MET A 1 -7.810 16.471 -14.278 1.00 73.04 O ATOM 5 CB MET A 1 -10.683 16.543 -13.544 1.00 15.33 C ATOM 6 CG MET A 1 -11.277 16.213 -14.908 1.00 32.04 C ATOM 7 SD MET A 1 -12.472 17.448 -15.464 1.00 45.44 S ATOM 8 CE MET A 1 -13.001 16.721 -17.016 1.00 24.13 C ATOM 0 H1 MET A 1 -10.025 15.902 -11.030 1.00 43.33 H new ATOM 0 H2 MET A 1 -8.532 15.148 -11.324 1.00 43.33 H new ATOM 0 H3 MET A 1 -8.735 16.796 -11.679 1.00 43.33 H new ATOM 0 HA MET A 1 -10.117 14.530 -13.011 1.00 10.11 H new ATOM 0 HB2 MET A 1 -11.491 16.616 -12.816 1.00 15.33 H new ATOM 0 HB3 MET A 1 -10.209 17.523 -13.593 1.00 15.33 H new ATOM 0 HG2 MET A 1 -10.474 16.135 -15.641 1.00 32.04 H new ATOM 0 HG3 MET A 1 -11.762 15.238 -14.862 1.00 32.04 H new ATOM 0 HE1 MET A 1 -13.743 17.366 -17.486 1.00 24.13 H new ATOM 0 HE2 MET A 1 -12.142 16.613 -17.679 1.00 24.13 H new ATOM 0 HE3 MET A 1 -13.440 15.741 -16.828 1.00 24.13 H new ATOM 20 N GLY A 2 -8.161 14.262 -14.521 1.00 71.31 N ATOM 21 CA GLY A 2 -7.006 14.084 -15.397 1.00 72.40 C ATOM 22 C GLY A 2 -7.311 13.228 -16.622 1.00 32.44 C ATOM 23 O GLY A 2 -7.969 12.193 -16.515 1.00 42.04 O ATOM 0 H GLY A 2 -8.700 13.414 -14.349 1.00 71.31 H new ATOM 0 HA2 GLY A 2 -6.651 15.061 -15.723 1.00 72.40 H new ATOM 0 HA3 GLY A 2 -6.196 13.623 -14.832 1.00 72.40 H new ATOM 27 N HIS A 3 -6.817 13.647 -17.786 1.00 2.25 N ATOM 28 CA HIS A 3 -7.085 12.931 -19.041 1.00 2.15 C ATOM 29 C HIS A 3 -6.256 11.636 -19.163 1.00 4.40 C ATOM 30 O HIS A 3 -6.572 10.766 -19.978 1.00 70.01 O ATOM 31 CB HIS A 3 -6.851 13.849 -20.252 1.00 24.42 C ATOM 32 CG HIS A 3 -5.485 14.471 -20.314 1.00 33.42 C ATOM 33 ND1 HIS A 3 -5.234 15.774 -19.947 1.00 22.31 N ATOM 34 CD2 HIS A 3 -4.297 13.967 -20.724 1.00 3.44 C ATOM 35 CE1 HIS A 3 -3.959 16.044 -20.126 1.00 72.14 C ATOM 36 NE2 HIS A 3 -3.365 14.967 -20.595 1.00 23.24 N ATOM 0 H HIS A 3 -6.231 14.475 -17.891 1.00 2.25 H new ATOM 0 HA HIS A 3 -8.134 12.637 -19.026 1.00 2.15 H new ATOM 0 HB2 HIS A 3 -7.015 13.274 -21.163 1.00 24.42 H new ATOM 0 HB3 HIS A 3 -7.597 14.644 -20.238 1.00 24.42 H new ATOM 0 HD2 HIS A 3 -4.116 12.965 -21.085 1.00 3.44 H new ATOM 0 HE1 HIS A 3 -3.480 16.990 -19.922 1.00 72.14 H new ATOM 0 HE2 HIS A 3 -2.374 14.888 -20.825 1.00 23.24 H new ATOM 45 N HIS A 4 -5.196 11.507 -18.357 1.00 71.54 N ATOM 46 CA HIS A 4 -4.402 10.270 -18.336 1.00 12.43 C ATOM 47 C HIS A 4 -5.222 9.096 -17.752 1.00 35.45 C ATOM 48 O HIS A 4 -5.089 8.734 -16.582 1.00 40.14 O ATOM 49 CB HIS A 4 -3.079 10.470 -17.559 1.00 3.53 C ATOM 50 CG HIS A 4 -3.237 10.727 -16.084 1.00 35.15 C ATOM 51 ND1 HIS A 4 -3.003 9.759 -15.129 1.00 35.44 N ATOM 52 CD2 HIS A 4 -3.592 11.843 -15.400 1.00 73.30 C ATOM 53 CE1 HIS A 4 -3.209 10.264 -13.929 1.00 13.15 C ATOM 54 NE2 HIS A 4 -3.565 11.523 -14.064 1.00 44.53 N ATOM 0 H HIS A 4 -4.870 12.232 -17.718 1.00 71.54 H new ATOM 0 HA HIS A 4 -4.146 10.018 -19.365 1.00 12.43 H new ATOM 0 HB2 HIS A 4 -2.459 9.583 -17.693 1.00 3.53 H new ATOM 0 HB3 HIS A 4 -2.539 11.307 -18.002 1.00 3.53 H new ATOM 0 HD2 HIS A 4 -3.848 12.802 -15.825 1.00 73.30 H new ATOM 0 HE1 HIS A 4 -3.103 9.734 -12.994 1.00 13.15 H new ATOM 0 HE2 HIS A 4 -3.786 12.160 -13.299 1.00 44.53 H new ATOM 63 N HIS A 5 -6.098 8.524 -18.576 1.00 50.34 N ATOM 64 CA HIS A 5 -6.988 7.442 -18.134 1.00 73.45 C ATOM 65 C HIS A 5 -6.240 6.108 -17.971 1.00 24.51 C ATOM 66 O HIS A 5 -5.638 5.593 -18.914 1.00 52.30 O ATOM 67 CB HIS A 5 -8.171 7.290 -19.109 1.00 41.42 C ATOM 68 CG HIS A 5 -7.774 7.190 -20.554 1.00 22.33 C ATOM 69 ND1 HIS A 5 -7.687 8.287 -21.387 1.00 3.41 N ATOM 70 CD2 HIS A 5 -7.444 6.119 -21.317 1.00 4.24 C ATOM 71 CE1 HIS A 5 -7.323 7.897 -22.590 1.00 21.11 C ATOM 72 NE2 HIS A 5 -7.167 6.589 -22.578 1.00 24.32 N ATOM 0 H HIS A 5 -6.214 8.789 -19.554 1.00 50.34 H new ATOM 0 HA HIS A 5 -7.373 7.714 -17.151 1.00 73.45 H new ATOM 0 HB2 HIS A 5 -8.738 6.399 -18.838 1.00 41.42 H new ATOM 0 HB3 HIS A 5 -8.839 8.142 -18.986 1.00 41.42 H new ATOM 0 HD1 HIS A 5 -7.876 9.251 -21.113 1.00 3.41 H new ATOM 0 HD2 HIS A 5 -7.406 5.089 -20.994 1.00 4.24 H new ATOM 0 HE1 HIS A 5 -7.177 8.541 -23.444 1.00 21.11 H new ATOM 81 N HIS A 6 -6.274 5.568 -16.755 1.00 25.13 N ATOM 82 CA HIS A 6 -5.662 4.272 -16.444 1.00 32.34 C ATOM 83 C HIS A 6 -6.753 3.200 -16.274 1.00 12.32 C ATOM 84 O HIS A 6 -7.485 3.205 -15.281 1.00 72.13 O ATOM 85 CB HIS A 6 -4.817 4.403 -15.162 1.00 60.34 C ATOM 86 CG HIS A 6 -4.029 3.181 -14.798 1.00 1.42 C ATOM 87 ND1 HIS A 6 -4.225 2.483 -13.625 1.00 53.13 N ATOM 88 CD2 HIS A 6 -3.009 2.553 -15.435 1.00 11.34 C ATOM 89 CE1 HIS A 6 -3.367 1.486 -13.555 1.00 33.34 C ATOM 90 NE2 HIS A 6 -2.618 1.504 -14.641 1.00 73.44 N ATOM 0 H HIS A 6 -6.725 6.013 -15.956 1.00 25.13 H new ATOM 0 HA HIS A 6 -5.013 3.966 -17.264 1.00 32.34 H new ATOM 0 HB2 HIS A 6 -4.128 5.239 -15.282 1.00 60.34 H new ATOM 0 HB3 HIS A 6 -5.478 4.652 -14.332 1.00 60.34 H new ATOM 0 HD2 HIS A 6 -2.584 2.827 -16.389 1.00 11.34 H new ATOM 0 HE1 HIS A 6 -3.290 0.775 -12.746 1.00 33.34 H new ATOM 0 HE2 HIS A 6 -1.870 0.845 -14.856 1.00 73.44 H new ATOM 99 N HIS A 7 -6.867 2.288 -17.248 1.00 52.35 N ATOM 100 CA HIS A 7 -7.958 1.296 -17.256 1.00 42.35 C ATOM 101 C HIS A 7 -8.016 0.497 -15.941 1.00 51.20 C ATOM 102 O HIS A 7 -7.002 -0.011 -15.464 1.00 33.14 O ATOM 103 CB HIS A 7 -7.832 0.339 -18.457 1.00 74.31 C ATOM 104 CG HIS A 7 -6.663 -0.601 -18.394 1.00 44.14 C ATOM 105 ND1 HIS A 7 -6.716 -1.824 -17.758 1.00 63.41 N ATOM 106 CD2 HIS A 7 -5.413 -0.503 -18.902 1.00 43.30 C ATOM 107 CE1 HIS A 7 -5.553 -2.431 -17.874 1.00 12.32 C ATOM 108 NE2 HIS A 7 -4.745 -1.655 -18.565 1.00 15.32 N ATOM 0 H HIS A 7 -6.224 2.214 -18.036 1.00 52.35 H new ATOM 0 HA HIS A 7 -8.891 1.852 -17.351 1.00 42.35 H new ATOM 0 HB2 HIS A 7 -8.748 -0.247 -18.534 1.00 74.31 H new ATOM 0 HB3 HIS A 7 -7.755 0.931 -19.369 1.00 74.31 H new ATOM 0 HD2 HIS A 7 -5.015 0.327 -19.467 1.00 43.30 H new ATOM 0 HE1 HIS A 7 -5.304 -3.401 -17.470 1.00 12.32 H new ATOM 0 HE2 HIS A 7 -3.779 -1.874 -18.810 1.00 15.32 H new ATOM 117 N HIS A 8 -9.210 0.392 -15.362 1.00 34.04 N ATOM 118 CA HIS A 8 -9.388 -0.260 -14.058 1.00 65.55 C ATOM 119 C HIS A 8 -9.408 -1.798 -14.183 1.00 53.35 C ATOM 120 O HIS A 8 -10.182 -2.361 -14.959 1.00 73.21 O ATOM 121 CB HIS A 8 -10.682 0.233 -13.401 1.00 23.13 C ATOM 122 CG HIS A 8 -10.761 1.727 -13.269 1.00 21.33 C ATOM 123 ND1 HIS A 8 -10.234 2.420 -12.201 1.00 3.41 N ATOM 124 CD2 HIS A 8 -11.312 2.663 -14.083 1.00 12.52 C ATOM 125 CE1 HIS A 8 -10.457 3.709 -12.359 1.00 63.13 C ATOM 126 NE2 HIS A 8 -11.106 3.882 -13.490 1.00 33.33 N ATOM 0 H HIS A 8 -10.073 0.749 -15.773 1.00 34.04 H new ATOM 0 HA HIS A 8 -8.536 0.007 -13.433 1.00 65.55 H new ATOM 0 HB2 HIS A 8 -11.532 -0.117 -13.987 1.00 23.13 H new ATOM 0 HB3 HIS A 8 -10.770 -0.215 -12.411 1.00 23.13 H new ATOM 0 HD2 HIS A 8 -11.817 2.482 -15.020 1.00 12.52 H new ATOM 0 HE1 HIS A 8 -10.158 4.490 -11.676 1.00 63.13 H new ATOM 0 HE2 HIS A 8 -11.408 4.781 -13.866 1.00 33.33 H new ATOM 135 N SER A 9 -8.553 -2.465 -13.407 1.00 52.12 N ATOM 136 CA SER A 9 -8.436 -3.934 -13.435 1.00 70.04 C ATOM 137 C SER A 9 -9.674 -4.628 -12.839 1.00 13.52 C ATOM 138 O SER A 9 -9.949 -4.514 -11.644 1.00 14.41 O ATOM 139 CB SER A 9 -7.185 -4.373 -12.660 1.00 14.12 C ATOM 140 OG SER A 9 -7.241 -3.940 -11.305 1.00 52.25 O ATOM 0 H SER A 9 -7.924 -2.012 -12.744 1.00 52.12 H new ATOM 0 HA SER A 9 -8.357 -4.232 -14.480 1.00 70.04 H new ATOM 0 HB2 SER A 9 -7.095 -5.459 -12.694 1.00 14.12 H new ATOM 0 HB3 SER A 9 -6.295 -3.964 -13.139 1.00 14.12 H new ATOM 0 HG SER A 9 -8.168 -3.976 -10.988 1.00 52.25 H new ATOM 146 N HIS A 10 -10.412 -5.351 -13.681 1.00 1.45 N ATOM 147 CA HIS A 10 -11.596 -6.110 -13.243 1.00 71.41 C ATOM 148 C HIS A 10 -11.510 -7.584 -13.676 1.00 21.22 C ATOM 149 O HIS A 10 -12.499 -8.177 -14.109 1.00 63.24 O ATOM 150 CB HIS A 10 -12.868 -5.466 -13.812 1.00 62.41 C ATOM 151 CG HIS A 10 -13.178 -4.127 -13.218 1.00 23.41 C ATOM 152 ND1 HIS A 10 -12.918 -2.934 -13.856 1.00 14.51 N ATOM 153 CD2 HIS A 10 -13.743 -3.794 -12.031 1.00 55.32 C ATOM 154 CE1 HIS A 10 -13.303 -1.934 -13.092 1.00 61.23 C ATOM 155 NE2 HIS A 10 -13.805 -2.425 -11.982 1.00 74.04 N ATOM 0 H HIS A 10 -10.213 -5.431 -14.678 1.00 1.45 H new ATOM 0 HA HIS A 10 -11.632 -6.083 -12.154 1.00 71.41 H new ATOM 0 HB2 HIS A 10 -12.760 -5.359 -14.891 1.00 62.41 H new ATOM 0 HB3 HIS A 10 -13.712 -6.135 -13.641 1.00 62.41 H new ATOM 0 HD1 HIS A 10 -12.493 -2.840 -14.778 1.00 14.51 H new ATOM 0 HD2 HIS A 10 -14.081 -4.479 -11.267 1.00 55.32 H new ATOM 0 HE1 HIS A 10 -13.220 -0.885 -13.337 1.00 61.23 H new ATOM 164 N MET A 11 -10.325 -8.173 -13.554 1.00 23.11 N ATOM 165 CA MET A 11 -10.113 -9.582 -13.925 1.00 74.44 C ATOM 166 C MET A 11 -9.860 -10.471 -12.695 1.00 5.04 C ATOM 167 O MET A 11 -8.874 -10.278 -11.984 1.00 64.14 O ATOM 168 CB MET A 11 -8.929 -9.713 -14.894 1.00 4.44 C ATOM 169 CG MET A 11 -9.147 -9.039 -16.239 1.00 1.21 C ATOM 170 SD MET A 11 -7.753 -9.280 -17.357 1.00 51.20 S ATOM 171 CE MET A 11 -8.367 -8.471 -18.832 1.00 71.31 C ATOM 0 H MET A 11 -9.491 -7.703 -13.202 1.00 23.11 H new ATOM 0 HA MET A 11 -11.028 -9.922 -14.411 1.00 74.44 H new ATOM 0 HB2 MET A 11 -8.042 -9.286 -14.426 1.00 4.44 H new ATOM 0 HB3 MET A 11 -8.725 -10.771 -15.059 1.00 4.44 H new ATOM 0 HG2 MET A 11 -10.052 -9.435 -16.699 1.00 1.21 H new ATOM 0 HG3 MET A 11 -9.308 -7.972 -16.087 1.00 1.21 H new ATOM 0 HE1 MET A 11 -7.617 -8.534 -19.620 1.00 71.31 H new ATOM 0 HE2 MET A 11 -9.282 -8.962 -19.162 1.00 71.31 H new ATOM 0 HE3 MET A 11 -8.576 -7.424 -18.613 1.00 71.31 H new ATOM 181 N ASN A 12 -10.766 -11.431 -12.457 1.00 40.04 N ATOM 182 CA ASN A 12 -10.597 -12.473 -11.420 1.00 4.21 C ATOM 183 C ASN A 12 -10.588 -11.915 -9.982 1.00 11.05 C ATOM 184 O ASN A 12 -11.505 -12.172 -9.204 1.00 25.31 O ATOM 185 CB ASN A 12 -9.318 -13.289 -11.684 1.00 42.15 C ATOM 186 CG ASN A 12 -9.382 -14.063 -12.990 1.00 20.12 C ATOM 187 OD1 ASN A 12 -10.447 -14.487 -13.425 1.00 13.00 O ATOM 188 ND2 ASN A 12 -8.248 -14.251 -13.633 1.00 51.32 N ATOM 0 H ASN A 12 -11.640 -11.511 -12.977 1.00 40.04 H new ATOM 0 HA ASN A 12 -11.470 -13.121 -11.493 1.00 4.21 H new ATOM 0 HB2 ASN A 12 -8.460 -12.617 -11.705 1.00 42.15 H new ATOM 0 HB3 ASN A 12 -9.158 -13.985 -10.860 1.00 42.15 H new ATOM 0 HD21 ASN A 12 -8.241 -14.761 -14.517 1.00 51.32 H new ATOM 0 HD22 ASN A 12 -7.377 -13.887 -13.247 1.00 51.32 H new ATOM 195 N HIS A 13 -9.546 -11.152 -9.641 1.00 14.13 N ATOM 196 CA HIS A 13 -9.352 -10.616 -8.279 1.00 42.24 C ATOM 197 C HIS A 13 -10.591 -9.888 -7.717 1.00 3.34 C ATOM 198 O HIS A 13 -10.736 -9.762 -6.500 1.00 51.11 O ATOM 199 CB HIS A 13 -8.144 -9.671 -8.256 1.00 12.04 C ATOM 200 CG HIS A 13 -6.835 -10.352 -8.533 1.00 23.44 C ATOM 201 ND1 HIS A 13 -6.113 -10.176 -9.697 1.00 22.34 N ATOM 202 CD2 HIS A 13 -6.111 -11.211 -7.776 1.00 11.34 C ATOM 203 CE1 HIS A 13 -5.008 -10.896 -9.639 1.00 31.43 C ATOM 204 NE2 HIS A 13 -4.983 -11.530 -8.486 1.00 10.23 N ATOM 0 H HIS A 13 -8.811 -10.885 -10.296 1.00 14.13 H new ATOM 0 HA HIS A 13 -9.178 -11.477 -7.634 1.00 42.24 H new ATOM 0 HB2 HIS A 13 -8.296 -8.884 -8.994 1.00 12.04 H new ATOM 0 HB3 HIS A 13 -8.092 -9.187 -7.281 1.00 12.04 H new ATOM 0 HD2 HIS A 13 -6.374 -11.577 -6.794 1.00 11.34 H new ATOM 0 HE1 HIS A 13 -4.252 -10.955 -10.408 1.00 31.43 H new ATOM 0 HE2 HIS A 13 -4.243 -12.158 -8.171 1.00 10.23 H new ATOM 213 N GLN A 14 -11.484 -9.419 -8.594 1.00 34.11 N ATOM 214 CA GLN A 14 -12.697 -8.715 -8.151 1.00 64.14 C ATOM 215 C GLN A 14 -13.642 -9.646 -7.373 1.00 3.14 C ATOM 216 O GLN A 14 -14.611 -9.192 -6.758 1.00 35.20 O ATOM 217 CB GLN A 14 -13.445 -8.096 -9.341 1.00 74.11 C ATOM 218 CG GLN A 14 -14.018 -9.116 -10.323 1.00 63.51 C ATOM 219 CD GLN A 14 -15.026 -8.495 -11.275 1.00 42.33 C ATOM 220 OE1 GLN A 14 -14.680 -8.016 -12.351 1.00 52.21 O ATOM 221 NE2 GLN A 14 -16.284 -8.492 -10.879 1.00 52.13 N ATOM 0 H GLN A 14 -11.394 -9.511 -9.606 1.00 34.11 H new ATOM 0 HA GLN A 14 -12.373 -7.917 -7.483 1.00 64.14 H new ATOM 0 HB2 GLN A 14 -14.259 -7.478 -8.962 1.00 74.11 H new ATOM 0 HB3 GLN A 14 -12.765 -7.434 -9.878 1.00 74.11 H new ATOM 0 HG2 GLN A 14 -13.205 -9.561 -10.897 1.00 63.51 H new ATOM 0 HG3 GLN A 14 -14.495 -9.924 -9.768 1.00 63.51 H new ATOM 0 HE21 GLN A 14 -16.536 -8.899 -9.978 1.00 52.13 H new ATOM 0 HE22 GLN A 14 -17.005 -8.083 -11.473 1.00 52.13 H new ATOM 230 N HIS A 15 -13.370 -10.953 -7.426 1.00 40.22 N ATOM 231 CA HIS A 15 -14.095 -11.935 -6.612 1.00 5.34 C ATOM 232 C HIS A 15 -14.069 -11.531 -5.133 1.00 41.15 C ATOM 233 O HIS A 15 -15.109 -11.477 -4.471 1.00 24.31 O ATOM 234 CB HIS A 15 -13.475 -13.335 -6.792 1.00 31.33 C ATOM 235 CG HIS A 15 -14.006 -14.378 -5.846 1.00 62.45 C ATOM 236 ND1 HIS A 15 -15.160 -15.094 -6.081 1.00 10.31 N ATOM 237 CD2 HIS A 15 -13.530 -14.821 -4.653 1.00 11.45 C ATOM 238 CE1 HIS A 15 -15.373 -15.929 -5.079 1.00 32.44 C ATOM 239 NE2 HIS A 15 -14.401 -15.782 -4.203 1.00 62.50 N ATOM 0 H HIS A 15 -12.651 -11.357 -8.026 1.00 40.22 H new ATOM 0 HA HIS A 15 -15.133 -11.963 -6.945 1.00 5.34 H new ATOM 0 HB2 HIS A 15 -13.650 -13.667 -7.815 1.00 31.33 H new ATOM 0 HB3 HIS A 15 -12.395 -13.260 -6.662 1.00 31.33 H new ATOM 0 HD2 HIS A 15 -12.635 -14.481 -4.153 1.00 11.45 H new ATOM 0 HE1 HIS A 15 -16.203 -16.615 -4.993 1.00 32.44 H new ATOM 0 HE2 HIS A 15 -14.310 -16.300 -3.329 1.00 62.50 H new ATOM 248 N GLU A 16 -12.868 -11.240 -4.631 1.00 23.02 N ATOM 249 CA GLU A 16 -12.678 -10.834 -3.237 1.00 21.01 C ATOM 250 C GLU A 16 -11.216 -10.444 -2.980 1.00 23.45 C ATOM 251 O GLU A 16 -10.344 -11.306 -2.848 1.00 22.14 O ATOM 252 CB GLU A 16 -13.110 -11.958 -2.282 1.00 52.14 C ATOM 253 CG GLU A 16 -12.951 -11.613 -0.808 1.00 21.31 C ATOM 254 CD GLU A 16 -13.570 -12.660 0.101 1.00 43.11 C ATOM 255 OE1 GLU A 16 -12.891 -13.656 0.422 1.00 61.20 O ATOM 256 OE2 GLU A 16 -14.743 -12.490 0.494 1.00 65.34 O ATOM 0 H GLU A 16 -12.005 -11.278 -5.174 1.00 23.02 H new ATOM 0 HA GLU A 16 -13.304 -9.962 -3.048 1.00 21.01 H new ATOM 0 HB2 GLU A 16 -14.154 -12.205 -2.476 1.00 52.14 H new ATOM 0 HB3 GLU A 16 -12.525 -12.851 -2.501 1.00 52.14 H new ATOM 0 HG2 GLU A 16 -11.891 -11.513 -0.573 1.00 21.31 H new ATOM 0 HG3 GLU A 16 -13.414 -10.646 -0.612 1.00 21.31 H new ATOM 263 N ALA A 17 -10.950 -9.144 -2.933 1.00 54.14 N ATOM 264 CA ALA A 17 -9.600 -8.641 -2.672 1.00 52.54 C ATOM 265 C ALA A 17 -9.305 -8.609 -1.164 1.00 62.21 C ATOM 266 O ALA A 17 -9.923 -7.844 -0.420 1.00 4.21 O ATOM 267 CB ALA A 17 -9.429 -7.255 -3.285 1.00 34.13 C ATOM 0 H ALA A 17 -11.650 -8.415 -3.072 1.00 54.14 H new ATOM 0 HA ALA A 17 -8.884 -9.320 -3.136 1.00 52.54 H new ATOM 0 HB1 ALA A 17 -8.421 -6.890 -3.085 1.00 34.13 H new ATOM 0 HB2 ALA A 17 -9.587 -7.311 -4.362 1.00 34.13 H new ATOM 0 HB3 ALA A 17 -10.156 -6.571 -2.847 1.00 34.13 H new ATOM 273 N ARG A 18 -8.371 -9.447 -0.716 1.00 43.33 N ATOM 274 CA ARG A 18 -8.029 -9.525 0.711 1.00 41.12 C ATOM 275 C ARG A 18 -7.336 -8.239 1.200 1.00 15.44 C ATOM 276 O ARG A 18 -6.914 -7.401 0.402 1.00 62.51 O ATOM 277 CB ARG A 18 -7.149 -10.753 0.987 1.00 4.43 C ATOM 278 CG ARG A 18 -5.782 -10.715 0.309 1.00 45.42 C ATOM 279 CD ARG A 18 -4.989 -11.995 0.562 1.00 0.15 C ATOM 280 NE ARG A 18 -4.908 -12.317 1.985 1.00 51.25 N ATOM 281 CZ ARG A 18 -4.090 -13.195 2.503 1.00 61.55 C ATOM 282 NH1 ARG A 18 -3.242 -13.831 1.763 1.00 50.13 N ATOM 283 NH2 ARG A 18 -4.123 -13.434 3.770 1.00 51.40 N ATOM 0 H ARG A 18 -7.838 -10.079 -1.313 1.00 43.33 H new ATOM 0 HA ARG A 18 -8.959 -9.629 1.269 1.00 41.12 H new ATOM 0 HB2 ARG A 18 -7.005 -10.847 2.063 1.00 4.43 H new ATOM 0 HB3 ARG A 18 -7.680 -11.646 0.658 1.00 4.43 H new ATOM 0 HG2 ARG A 18 -5.912 -10.574 -0.764 1.00 45.42 H new ATOM 0 HG3 ARG A 18 -5.217 -9.858 0.677 1.00 45.42 H new ATOM 0 HD2 ARG A 18 -5.457 -12.823 0.029 1.00 0.15 H new ATOM 0 HD3 ARG A 18 -3.983 -11.884 0.158 1.00 0.15 H new ATOM 0 HE ARG A 18 -5.534 -11.821 2.619 1.00 51.25 H new ATOM 0 HH11 ARG A 18 -3.205 -13.651 0.760 1.00 50.13 H new ATOM 0 HH12 ARG A 18 -2.610 -14.513 2.182 1.00 50.13 H new ATOM 0 HH21 ARG A 18 -4.786 -12.938 4.365 1.00 51.40 H new ATOM 0 HH22 ARG A 18 -3.486 -14.119 4.177 1.00 51.40 H new ATOM 297 N LYS A 19 -7.222 -8.088 2.518 1.00 0.23 N ATOM 298 CA LYS A 19 -6.707 -6.846 3.107 1.00 50.34 C ATOM 299 C LYS A 19 -5.483 -7.084 4.005 1.00 62.32 C ATOM 300 O LYS A 19 -5.392 -8.092 4.707 1.00 13.03 O ATOM 301 CB LYS A 19 -7.821 -6.160 3.907 1.00 33.24 C ATOM 302 CG LYS A 19 -9.026 -5.755 3.058 1.00 55.34 C ATOM 303 CD LYS A 19 -10.178 -5.242 3.915 1.00 24.23 C ATOM 304 CE LYS A 19 -11.361 -4.791 3.065 1.00 34.13 C ATOM 305 NZ LYS A 19 -12.531 -4.404 3.896 1.00 12.21 N ATOM 0 H LYS A 19 -7.477 -8.804 3.198 1.00 0.23 H new ATOM 0 HA LYS A 19 -6.381 -6.203 2.289 1.00 50.34 H new ATOM 0 HB2 LYS A 19 -8.154 -6.831 4.698 1.00 33.24 H new ATOM 0 HB3 LYS A 19 -7.414 -5.273 4.392 1.00 33.24 H new ATOM 0 HG2 LYS A 19 -8.728 -4.982 2.350 1.00 55.34 H new ATOM 0 HG3 LYS A 19 -9.362 -6.611 2.473 1.00 55.34 H new ATOM 0 HD2 LYS A 19 -10.500 -6.028 4.598 1.00 24.23 H new ATOM 0 HD3 LYS A 19 -9.832 -4.409 4.527 1.00 24.23 H new ATOM 0 HE2 LYS A 19 -11.061 -3.945 2.446 1.00 34.13 H new ATOM 0 HE3 LYS A 19 -11.648 -5.596 2.388 1.00 34.13 H new ATOM 0 HZ1 LYS A 19 -13.312 -4.104 3.278 1.00 12.21 H new ATOM 0 HZ2 LYS A 19 -12.835 -5.218 4.468 1.00 12.21 H new ATOM 0 HZ3 LYS A 19 -12.266 -3.619 4.524 1.00 12.21 H new ATOM 319 N VAL A 20 -4.546 -6.140 3.971 1.00 74.30 N ATOM 320 CA VAL A 20 -3.340 -6.187 4.812 1.00 62.14 C ATOM 321 C VAL A 20 -3.207 -4.902 5.647 1.00 0.13 C ATOM 322 O VAL A 20 -3.752 -3.860 5.286 1.00 25.13 O ATOM 323 CB VAL A 20 -2.063 -6.382 3.956 1.00 40.34 C ATOM 324 CG1 VAL A 20 -2.074 -7.749 3.272 1.00 60.35 C ATOM 325 CG2 VAL A 20 -1.922 -5.262 2.925 1.00 62.33 C ATOM 0 H VAL A 20 -4.595 -5.322 3.364 1.00 74.30 H new ATOM 0 HA VAL A 20 -3.444 -7.041 5.481 1.00 62.14 H new ATOM 0 HB VAL A 20 -1.200 -6.340 4.621 1.00 40.34 H new ATOM 0 HG11 VAL A 20 -1.169 -7.865 2.676 1.00 60.35 H new ATOM 0 HG12 VAL A 20 -2.114 -8.534 4.028 1.00 60.35 H new ATOM 0 HG13 VAL A 20 -2.947 -7.824 2.624 1.00 60.35 H new ATOM 0 HG21 VAL A 20 -1.018 -5.421 2.336 1.00 62.33 H new ATOM 0 HG22 VAL A 20 -2.790 -5.263 2.265 1.00 62.33 H new ATOM 0 HG23 VAL A 20 -1.857 -4.302 3.437 1.00 62.33 H new ATOM 335 N ARG A 21 -2.480 -4.974 6.759 1.00 61.21 N ATOM 336 CA ARG A 21 -2.371 -3.839 7.684 1.00 20.12 C ATOM 337 C ARG A 21 -1.049 -3.075 7.502 1.00 44.30 C ATOM 338 O ARG A 21 0.021 -3.676 7.371 1.00 4.31 O ATOM 339 CB ARG A 21 -2.502 -4.334 9.131 1.00 54.03 C ATOM 340 CG ARG A 21 -2.542 -3.220 10.176 1.00 50.02 C ATOM 341 CD ARG A 21 -2.681 -3.782 11.586 1.00 4.51 C ATOM 342 NE ARG A 21 -2.724 -2.734 12.602 1.00 32.00 N ATOM 343 CZ ARG A 21 -2.506 -2.941 13.873 1.00 25.41 C ATOM 344 NH1 ARG A 21 -2.259 -4.133 14.312 1.00 21.43 N ATOM 345 NH2 ARG A 21 -2.548 -1.953 14.703 1.00 43.40 N ATOM 0 H ARG A 21 -1.957 -5.802 7.045 1.00 61.21 H new ATOM 0 HA ARG A 21 -3.182 -3.146 7.459 1.00 20.12 H new ATOM 0 HB2 ARG A 21 -3.410 -4.930 9.218 1.00 54.03 H new ATOM 0 HB3 ARG A 21 -1.664 -4.995 9.354 1.00 54.03 H new ATOM 0 HG2 ARG A 21 -1.632 -2.624 10.109 1.00 50.02 H new ATOM 0 HG3 ARG A 21 -3.377 -2.552 9.965 1.00 50.02 H new ATOM 0 HD2 ARG A 21 -3.590 -4.381 11.647 1.00 4.51 H new ATOM 0 HD3 ARG A 21 -1.844 -4.450 11.792 1.00 4.51 H new ATOM 0 HE ARG A 21 -2.937 -1.783 12.301 1.00 32.00 H new ATOM 0 HH11 ARG A 21 -2.233 -4.920 13.664 1.00 21.43 H new ATOM 0 HH12 ARG A 21 -2.090 -4.285 15.306 1.00 21.43 H new ATOM 0 HH21 ARG A 21 -2.751 -1.012 14.366 1.00 43.40 H new ATOM 0 HH22 ARG A 21 -2.378 -2.113 15.696 1.00 43.40 H new ATOM 359 N ALA A 22 -1.132 -1.744 7.484 1.00 40.11 N ATOM 360 CA ALA A 22 0.051 -0.884 7.388 1.00 15.42 C ATOM 361 C ALA A 22 0.755 -0.741 8.743 1.00 61.31 C ATOM 362 O ALA A 22 0.153 -0.293 9.719 1.00 44.14 O ATOM 363 CB ALA A 22 -0.342 0.491 6.860 1.00 31.34 C ATOM 0 H ALA A 22 -2.014 -1.234 7.535 1.00 40.11 H new ATOM 0 HA ALA A 22 0.748 -1.354 6.694 1.00 15.42 H new ATOM 0 HB1 ALA A 22 0.544 1.122 6.793 1.00 31.34 H new ATOM 0 HB2 ALA A 22 -0.789 0.387 5.871 1.00 31.34 H new ATOM 0 HB3 ALA A 22 -1.062 0.949 7.538 1.00 31.34 H new ATOM 369 N ILE A 23 2.031 -1.115 8.799 1.00 4.44 N ATOM 370 CA ILE A 23 2.817 -1.006 10.040 1.00 12.53 C ATOM 371 C ILE A 23 3.665 0.279 10.076 1.00 4.55 C ATOM 372 O ILE A 23 4.052 0.743 11.148 1.00 35.41 O ATOM 373 CB ILE A 23 3.733 -2.240 10.242 1.00 70.25 C ATOM 374 CG1 ILE A 23 4.576 -2.502 8.982 1.00 41.04 C ATOM 375 CG2 ILE A 23 2.896 -3.466 10.611 1.00 74.52 C ATOM 376 CD1 ILE A 23 5.483 -3.713 9.078 1.00 42.22 C ATOM 0 H ILE A 23 2.547 -1.496 8.006 1.00 4.44 H new ATOM 0 HA ILE A 23 2.096 -0.964 10.857 1.00 12.53 H new ATOM 0 HB ILE A 23 4.419 -2.036 11.064 1.00 70.25 H new ATOM 0 HG12 ILE A 23 3.906 -2.631 8.132 1.00 41.04 H new ATOM 0 HG13 ILE A 23 5.185 -1.622 8.777 1.00 41.04 H new ATOM 0 HG21 ILE A 23 3.552 -4.326 10.750 1.00 74.52 H new ATOM 0 HG22 ILE A 23 2.353 -3.271 11.536 1.00 74.52 H new ATOM 0 HG23 ILE A 23 2.187 -3.676 9.811 1.00 74.52 H new ATOM 0 HD11 ILE A 23 6.041 -3.825 8.148 1.00 42.22 H new ATOM 0 HD12 ILE A 23 6.180 -3.581 9.905 1.00 42.22 H new ATOM 0 HD13 ILE A 23 4.881 -4.606 9.250 1.00 42.22 H new ATOM 388 N TYR A 24 3.953 0.847 8.907 1.00 62.10 N ATOM 389 CA TYR A 24 4.700 2.112 8.823 1.00 51.35 C ATOM 390 C TYR A 24 3.949 3.139 7.959 1.00 61.44 C ATOM 391 O TYR A 24 3.422 2.799 6.901 1.00 0.53 O ATOM 392 CB TYR A 24 6.098 1.879 8.231 1.00 31.24 C ATOM 393 CG TYR A 24 6.946 0.883 9.004 1.00 72.12 C ATOM 394 CD1 TYR A 24 7.306 1.121 10.328 1.00 53.33 C ATOM 395 CD2 TYR A 24 7.385 -0.295 8.408 1.00 75.23 C ATOM 396 CE1 TYR A 24 8.079 0.215 11.030 1.00 32.05 C ATOM 397 CE2 TYR A 24 8.158 -1.202 9.106 1.00 51.31 C ATOM 398 CZ TYR A 24 8.501 -0.944 10.415 1.00 10.33 C ATOM 399 OH TYR A 24 9.273 -1.847 11.111 1.00 14.11 O ATOM 0 H TYR A 24 3.684 0.457 8.004 1.00 62.10 H new ATOM 0 HA TYR A 24 4.798 2.503 9.836 1.00 51.35 H new ATOM 0 HB2 TYR A 24 5.991 1.528 7.205 1.00 31.24 H new ATOM 0 HB3 TYR A 24 6.625 2.832 8.189 1.00 31.24 H new ATOM 0 HD1 TYR A 24 6.976 2.027 10.814 1.00 53.33 H new ATOM 0 HD2 TYR A 24 7.117 -0.504 7.383 1.00 75.23 H new ATOM 0 HE1 TYR A 24 8.351 0.415 12.056 1.00 32.05 H new ATOM 0 HE2 TYR A 24 8.492 -2.110 8.627 1.00 51.31 H new ATOM 0 HH TYR A 24 9.484 -2.610 10.534 1.00 14.11 H new ATOM 409 N ASP A 25 3.898 4.391 8.417 1.00 25.23 N ATOM 410 CA ASP A 25 3.290 5.468 7.631 1.00 62.04 C ATOM 411 C ASP A 25 4.241 5.923 6.511 1.00 1.34 C ATOM 412 O ASP A 25 5.458 6.008 6.710 1.00 0.21 O ATOM 413 CB ASP A 25 2.903 6.645 8.538 1.00 52.30 C ATOM 414 CG ASP A 25 4.070 7.180 9.346 1.00 54.21 C ATOM 415 OD1 ASP A 25 4.341 6.632 10.438 1.00 13.33 O ATOM 416 OD2 ASP A 25 4.717 8.151 8.903 1.00 44.15 O ATOM 0 H ASP A 25 4.267 4.684 9.322 1.00 25.23 H new ATOM 0 HA ASP A 25 2.381 5.087 7.167 1.00 62.04 H new ATOM 0 HB2 ASP A 25 2.493 7.449 7.926 1.00 52.30 H new ATOM 0 HB3 ASP A 25 2.113 6.328 9.218 1.00 52.30 H new ATOM 421 N PHE A 26 3.689 6.205 5.336 1.00 24.05 N ATOM 422 CA PHE A 26 4.507 6.535 4.166 1.00 50.23 C ATOM 423 C PHE A 26 3.825 7.578 3.265 1.00 2.40 C ATOM 424 O PHE A 26 2.596 7.611 3.141 1.00 43.24 O ATOM 425 CB PHE A 26 4.797 5.251 3.367 1.00 60.34 C ATOM 426 CG PHE A 26 5.750 5.433 2.208 1.00 2.12 C ATOM 427 CD1 PHE A 26 7.122 5.341 2.399 1.00 51.13 C ATOM 428 CD2 PHE A 26 5.276 5.690 0.928 1.00 71.43 C ATOM 429 CE1 PHE A 26 7.997 5.502 1.342 1.00 2.04 C ATOM 430 CE2 PHE A 26 6.147 5.853 -0.131 1.00 3.10 C ATOM 431 CZ PHE A 26 7.510 5.758 0.076 1.00 71.41 C ATOM 0 H PHE A 26 2.684 6.213 5.165 1.00 24.05 H new ATOM 0 HA PHE A 26 5.441 6.972 4.518 1.00 50.23 H new ATOM 0 HB2 PHE A 26 5.208 4.502 4.044 1.00 60.34 H new ATOM 0 HB3 PHE A 26 3.855 4.855 2.987 1.00 60.34 H new ATOM 0 HD1 PHE A 26 7.510 5.141 3.387 1.00 51.13 H new ATOM 0 HD2 PHE A 26 4.212 5.763 0.759 1.00 71.43 H new ATOM 0 HE1 PHE A 26 9.062 5.428 1.506 1.00 2.04 H new ATOM 0 HE2 PHE A 26 5.763 6.055 -1.120 1.00 3.10 H new ATOM 0 HZ PHE A 26 8.193 5.884 -0.751 1.00 71.41 H new ATOM 441 N GLU A 27 4.635 8.439 2.650 1.00 42.25 N ATOM 442 CA GLU A 27 4.150 9.415 1.670 1.00 2.21 C ATOM 443 C GLU A 27 4.783 9.163 0.295 1.00 42.43 C ATOM 444 O GLU A 27 6.009 9.161 0.157 1.00 74.23 O ATOM 445 CB GLU A 27 4.452 10.845 2.130 1.00 23.22 C ATOM 446 CG GLU A 27 3.761 11.235 3.431 1.00 31.12 C ATOM 447 CD GLU A 27 3.905 12.713 3.747 1.00 30.11 C ATOM 448 OE1 GLU A 27 3.085 13.513 3.246 1.00 21.24 O ATOM 449 OE2 GLU A 27 4.845 13.086 4.485 1.00 52.23 O ATOM 0 H GLU A 27 5.641 8.481 2.814 1.00 42.25 H new ATOM 0 HA GLU A 27 3.070 9.297 1.586 1.00 2.21 H new ATOM 0 HB2 GLU A 27 5.529 10.956 2.255 1.00 23.22 H new ATOM 0 HB3 GLU A 27 4.149 11.540 1.347 1.00 23.22 H new ATOM 0 HG2 GLU A 27 2.703 10.982 3.366 1.00 31.12 H new ATOM 0 HG3 GLU A 27 4.179 10.650 4.250 1.00 31.12 H new ATOM 456 N ALA A 28 3.942 8.955 -0.713 1.00 11.33 N ATOM 457 CA ALA A 28 4.396 8.616 -2.067 1.00 63.14 C ATOM 458 C ALA A 28 5.443 9.603 -2.607 1.00 4.20 C ATOM 459 O ALA A 28 5.135 10.760 -2.902 1.00 41.31 O ATOM 460 CB ALA A 28 3.202 8.555 -3.014 1.00 74.42 C ATOM 0 H ALA A 28 2.928 9.015 -0.620 1.00 11.33 H new ATOM 0 HA ALA A 28 4.877 7.640 -2.009 1.00 63.14 H new ATOM 0 HB1 ALA A 28 3.546 8.303 -4.017 1.00 74.42 H new ATOM 0 HB2 ALA A 28 2.502 7.794 -2.668 1.00 74.42 H new ATOM 0 HB3 ALA A 28 2.704 9.524 -3.034 1.00 74.42 H new ATOM 466 N ALA A 29 6.684 9.137 -2.725 1.00 51.10 N ATOM 467 CA ALA A 29 7.756 9.933 -3.334 1.00 5.24 C ATOM 468 C ALA A 29 7.613 9.975 -4.865 1.00 64.15 C ATOM 469 O ALA A 29 8.061 10.917 -5.520 1.00 13.41 O ATOM 470 CB ALA A 29 9.118 9.367 -2.943 1.00 32.42 C ATOM 0 H ALA A 29 6.976 8.213 -2.408 1.00 51.10 H new ATOM 0 HA ALA A 29 7.676 10.954 -2.961 1.00 5.24 H new ATOM 0 HB1 ALA A 29 9.906 9.966 -3.401 1.00 32.42 H new ATOM 0 HB2 ALA A 29 9.225 9.394 -1.859 1.00 32.42 H new ATOM 0 HB3 ALA A 29 9.197 8.337 -3.290 1.00 32.42 H new ATOM 476 N GLU A 30 6.975 8.946 -5.423 1.00 50.54 N ATOM 477 CA GLU A 30 6.773 8.835 -6.872 1.00 53.24 C ATOM 478 C GLU A 30 5.276 8.733 -7.219 1.00 12.44 C ATOM 479 O GLU A 30 4.466 8.324 -6.386 1.00 24.20 O ATOM 480 CB GLU A 30 7.514 7.600 -7.407 1.00 21.44 C ATOM 481 CG GLU A 30 9.016 7.614 -7.138 1.00 53.00 C ATOM 482 CD GLU A 30 9.723 6.376 -7.664 1.00 4.41 C ATOM 483 OE1 GLU A 30 9.677 5.328 -6.990 1.00 75.41 O ATOM 484 OE2 GLU A 30 10.341 6.450 -8.751 1.00 11.01 O ATOM 0 H GLU A 30 6.585 8.169 -4.889 1.00 50.54 H new ATOM 0 HA GLU A 30 7.172 9.735 -7.341 1.00 53.24 H new ATOM 0 HB2 GLU A 30 7.083 6.706 -6.956 1.00 21.44 H new ATOM 0 HB3 GLU A 30 7.348 7.527 -8.482 1.00 21.44 H new ATOM 0 HG2 GLU A 30 9.454 8.500 -7.598 1.00 53.00 H new ATOM 0 HG3 GLU A 30 9.187 7.695 -6.065 1.00 53.00 H new ATOM 491 N ASP A 31 4.924 9.092 -8.456 1.00 42.43 N ATOM 492 CA ASP A 31 3.529 9.032 -8.931 1.00 4.54 C ATOM 493 C ASP A 31 2.974 7.590 -8.902 1.00 52.12 C ATOM 494 O ASP A 31 1.760 7.375 -8.855 1.00 73.21 O ATOM 495 CB ASP A 31 3.440 9.595 -10.358 1.00 52.33 C ATOM 496 CG ASP A 31 3.884 11.047 -10.452 1.00 42.10 C ATOM 497 OD1 ASP A 31 5.101 11.312 -10.333 1.00 31.22 O ATOM 498 OD2 ASP A 31 3.023 11.932 -10.649 1.00 63.32 O ATOM 0 H ASP A 31 5.586 9.430 -9.154 1.00 42.43 H new ATOM 0 HA ASP A 31 2.922 9.636 -8.256 1.00 4.54 H new ATOM 0 HB2 ASP A 31 4.057 8.988 -11.021 1.00 52.33 H new ATOM 0 HB3 ASP A 31 2.413 9.511 -10.713 1.00 52.33 H new ATOM 503 N ASN A 32 3.874 6.614 -8.943 1.00 21.11 N ATOM 504 CA ASN A 32 3.497 5.196 -8.937 1.00 21.15 C ATOM 505 C ASN A 32 3.126 4.690 -7.527 1.00 61.12 C ATOM 506 O ASN A 32 2.388 3.712 -7.384 1.00 54.13 O ATOM 507 CB ASN A 32 4.651 4.363 -9.513 1.00 30.32 C ATOM 508 CG ASN A 32 4.335 2.882 -9.579 1.00 65.00 C ATOM 509 OD1 ASN A 32 3.746 2.406 -10.546 1.00 2.03 O ATOM 510 ND2 ASN A 32 4.725 2.141 -8.561 1.00 44.12 N ATOM 0 H ASN A 32 4.880 6.776 -8.981 1.00 21.11 H new ATOM 0 HA ASN A 32 2.607 5.085 -9.556 1.00 21.15 H new ATOM 0 HB2 ASN A 32 4.888 4.724 -10.514 1.00 30.32 H new ATOM 0 HB3 ASN A 32 5.541 4.512 -8.901 1.00 30.32 H new ATOM 0 HD21 ASN A 32 4.540 1.138 -8.560 1.00 44.12 H new ATOM 0 HD22 ASN A 32 5.212 2.571 -7.774 1.00 44.12 H new ATOM 517 N GLU A 33 3.612 5.373 -6.493 1.00 13.05 N ATOM 518 CA GLU A 33 3.474 4.891 -5.110 1.00 30.51 C ATOM 519 C GLU A 33 2.177 5.402 -4.447 1.00 75.41 C ATOM 520 O GLU A 33 1.558 6.356 -4.919 1.00 62.42 O ATOM 521 CB GLU A 33 4.696 5.329 -4.280 1.00 4.44 C ATOM 522 CG GLU A 33 5.137 4.317 -3.216 1.00 1.40 C ATOM 523 CD GLU A 33 6.010 3.192 -3.770 1.00 4.41 C ATOM 524 OE1 GLU A 33 6.168 3.098 -5.009 1.00 20.55 O ATOM 525 OE2 GLU A 33 6.563 2.406 -2.966 1.00 3.23 O ATOM 0 H GLU A 33 4.105 6.262 -6.581 1.00 13.05 H new ATOM 0 HA GLU A 33 3.420 3.803 -5.142 1.00 30.51 H new ATOM 0 HB2 GLU A 33 5.531 5.514 -4.956 1.00 4.44 H new ATOM 0 HB3 GLU A 33 4.467 6.275 -3.790 1.00 4.44 H new ATOM 0 HG2 GLU A 33 5.686 4.841 -2.433 1.00 1.40 H new ATOM 0 HG3 GLU A 33 4.252 3.884 -2.749 1.00 1.40 H new ATOM 532 N LEU A 34 1.777 4.760 -3.345 1.00 43.20 N ATOM 533 CA LEU A 34 0.550 5.133 -2.614 1.00 60.24 C ATOM 534 C LEU A 34 0.885 5.814 -1.265 1.00 4.42 C ATOM 535 O LEU A 34 1.801 5.391 -0.557 1.00 42.22 O ATOM 536 CB LEU A 34 -0.307 3.872 -2.365 1.00 31.21 C ATOM 537 CG LEU A 34 -1.835 4.037 -2.516 1.00 63.44 C ATOM 538 CD1 LEU A 34 -2.544 2.717 -2.231 1.00 34.01 C ATOM 539 CD2 LEU A 34 -2.376 5.143 -1.611 1.00 61.35 C ATOM 0 H LEU A 34 2.284 3.976 -2.934 1.00 43.20 H new ATOM 0 HA LEU A 34 -0.008 5.845 -3.222 1.00 60.24 H new ATOM 0 HB2 LEU A 34 0.022 3.094 -3.054 1.00 31.21 H new ATOM 0 HB3 LEU A 34 -0.101 3.513 -1.357 1.00 31.21 H new ATOM 0 HG LEU A 34 -2.035 4.329 -3.547 1.00 63.44 H new ATOM 0 HD11 LEU A 34 -3.620 2.851 -2.342 1.00 34.01 H new ATOM 0 HD12 LEU A 34 -2.198 1.959 -2.934 1.00 34.01 H new ATOM 0 HD13 LEU A 34 -2.321 2.397 -1.213 1.00 34.01 H new ATOM 0 HD21 LEU A 34 -3.454 5.229 -1.746 1.00 61.35 H new ATOM 0 HD22 LEU A 34 -2.158 4.901 -0.571 1.00 61.35 H new ATOM 0 HD23 LEU A 34 -1.902 6.090 -1.870 1.00 61.35 H new ATOM 551 N THR A 35 0.131 6.862 -0.913 1.00 51.03 N ATOM 552 CA THR A 35 0.325 7.582 0.364 1.00 53.12 C ATOM 553 C THR A 35 -0.724 7.183 1.417 1.00 42.32 C ATOM 554 O THR A 35 -1.926 7.328 1.192 1.00 54.31 O ATOM 555 CB THR A 35 0.234 9.118 0.162 1.00 45.50 C ATOM 556 OG1 THR A 35 1.239 9.563 -0.759 1.00 33.43 O ATOM 557 CG2 THR A 35 0.390 9.867 1.485 1.00 63.02 C ATOM 0 H THR A 35 -0.622 7.235 -1.491 1.00 51.03 H new ATOM 0 HA THR A 35 1.318 7.304 0.717 1.00 53.12 H new ATOM 0 HB THR A 35 -0.754 9.335 -0.244 1.00 45.50 H new ATOM 0 HG1 THR A 35 1.670 10.370 -0.408 1.00 33.43 H new ATOM 0 HG21 THR A 35 0.321 10.940 1.306 1.00 63.02 H new ATOM 0 HG22 THR A 35 -0.400 9.562 2.171 1.00 63.02 H new ATOM 0 HG23 THR A 35 1.361 9.634 1.923 1.00 63.02 H new ATOM 565 N PHE A 36 -0.272 6.700 2.577 1.00 31.44 N ATOM 566 CA PHE A 36 -1.182 6.385 3.690 1.00 63.43 C ATOM 567 C PHE A 36 -0.431 6.204 5.017 1.00 21.33 C ATOM 568 O PHE A 36 0.772 5.929 5.036 1.00 41.42 O ATOM 569 CB PHE A 36 -2.046 5.148 3.381 1.00 30.44 C ATOM 570 CG PHE A 36 -1.279 3.910 2.980 1.00 24.30 C ATOM 571 CD1 PHE A 36 -0.847 3.000 3.932 1.00 11.22 C ATOM 572 CD2 PHE A 36 -1.012 3.648 1.642 1.00 25.04 C ATOM 573 CE1 PHE A 36 -0.164 1.858 3.559 1.00 63.04 C ATOM 574 CE2 PHE A 36 -0.330 2.510 1.266 1.00 23.43 C ATOM 575 CZ PHE A 36 0.092 1.613 2.225 1.00 2.34 C ATOM 0 H PHE A 36 0.712 6.518 2.773 1.00 31.44 H new ATOM 0 HA PHE A 36 -1.845 7.243 3.802 1.00 63.43 H new ATOM 0 HB2 PHE A 36 -2.646 4.915 4.261 1.00 30.44 H new ATOM 0 HB3 PHE A 36 -2.740 5.401 2.580 1.00 30.44 H new ATOM 0 HD1 PHE A 36 -1.046 3.185 4.977 1.00 11.22 H new ATOM 0 HD2 PHE A 36 -1.343 4.345 0.886 1.00 25.04 H new ATOM 0 HE1 PHE A 36 0.169 1.158 4.311 1.00 63.04 H new ATOM 0 HE2 PHE A 36 -0.127 2.321 0.222 1.00 23.43 H new ATOM 0 HZ PHE A 36 0.623 0.719 1.932 1.00 2.34 H new ATOM 585 N LYS A 37 -1.153 6.369 6.128 1.00 2.50 N ATOM 586 CA LYS A 37 -0.546 6.305 7.467 1.00 15.40 C ATOM 587 C LYS A 37 -0.562 4.882 8.052 1.00 13.33 C ATOM 588 O LYS A 37 -1.183 3.968 7.504 1.00 21.51 O ATOM 589 CB LYS A 37 -1.260 7.265 8.435 1.00 52.52 C ATOM 590 CG LYS A 37 -1.070 8.750 8.116 1.00 12.24 C ATOM 591 CD LYS A 37 -1.908 9.206 6.921 1.00 10.44 C ATOM 592 CE LYS A 37 -1.710 10.690 6.625 1.00 64.50 C ATOM 593 NZ LYS A 37 -2.632 11.171 5.563 1.00 35.41 N ATOM 0 H LYS A 37 -2.157 6.548 6.131 1.00 2.50 H new ATOM 0 HA LYS A 37 0.495 6.607 7.350 1.00 15.40 H new ATOM 0 HB2 LYS A 37 -2.326 7.039 8.429 1.00 52.52 H new ATOM 0 HB3 LYS A 37 -0.900 7.075 9.446 1.00 52.52 H new ATOM 0 HG2 LYS A 37 -1.338 9.343 8.990 1.00 12.24 H new ATOM 0 HG3 LYS A 37 -0.017 8.942 7.911 1.00 12.24 H new ATOM 0 HD2 LYS A 37 -1.637 8.621 6.042 1.00 10.44 H new ATOM 0 HD3 LYS A 37 -2.962 9.012 7.121 1.00 10.44 H new ATOM 0 HE2 LYS A 37 -1.873 11.267 7.536 1.00 64.50 H new ATOM 0 HE3 LYS A 37 -0.679 10.864 6.317 1.00 64.50 H new ATOM 0 HZ1 LYS A 37 -2.466 12.183 5.391 1.00 35.41 H new ATOM 0 HZ2 LYS A 37 -2.460 10.638 4.686 1.00 35.41 H new ATOM 0 HZ3 LYS A 37 -3.616 11.028 5.867 1.00 35.41 H new ATOM 607 N ALA A 38 0.120 4.713 9.189 1.00 2.23 N ATOM 608 CA ALA A 38 0.197 3.414 9.864 1.00 64.40 C ATOM 609 C ALA A 38 -1.138 3.045 10.526 1.00 4.25 C ATOM 610 O ALA A 38 -1.738 3.851 11.240 1.00 34.31 O ATOM 611 CB ALA A 38 1.324 3.418 10.895 1.00 12.02 C ATOM 0 H ALA A 38 0.627 5.461 9.662 1.00 2.23 H new ATOM 0 HA ALA A 38 0.412 2.657 9.110 1.00 64.40 H new ATOM 0 HB1 ALA A 38 1.369 2.447 11.388 1.00 12.02 H new ATOM 0 HB2 ALA A 38 2.273 3.616 10.396 1.00 12.02 H new ATOM 0 HB3 ALA A 38 1.135 4.194 11.637 1.00 12.02 H new ATOM 617 N GLY A 39 -1.591 1.818 10.297 1.00 63.15 N ATOM 618 CA GLY A 39 -2.893 1.389 10.803 1.00 71.42 C ATOM 619 C GLY A 39 -3.918 1.185 9.694 1.00 24.33 C ATOM 620 O GLY A 39 -4.929 0.507 9.892 1.00 22.24 O ATOM 0 H GLY A 39 -1.083 1.108 9.770 1.00 63.15 H new ATOM 0 HA2 GLY A 39 -2.774 0.458 11.357 1.00 71.42 H new ATOM 0 HA3 GLY A 39 -3.268 2.133 11.506 1.00 71.42 H new ATOM 624 N GLU A 40 -3.662 1.777 8.528 1.00 4.13 N ATOM 625 CA GLU A 40 -4.535 1.611 7.364 1.00 73.54 C ATOM 626 C GLU A 40 -4.682 0.137 6.962 1.00 11.14 C ATOM 627 O GLU A 40 -3.718 -0.633 6.999 1.00 55.14 O ATOM 628 CB GLU A 40 -3.993 2.420 6.173 1.00 25.12 C ATOM 629 CG GLU A 40 -4.504 3.856 6.103 1.00 22.41 C ATOM 630 CD GLU A 40 -5.975 3.938 5.713 1.00 34.41 C ATOM 631 OE1 GLU A 40 -6.275 4.008 4.498 1.00 63.13 O ATOM 632 OE2 GLU A 40 -6.838 3.928 6.612 1.00 33.21 O ATOM 0 H GLU A 40 -2.855 2.378 8.363 1.00 4.13 H new ATOM 0 HA GLU A 40 -5.521 1.982 7.643 1.00 73.54 H new ATOM 0 HB2 GLU A 40 -2.904 2.437 6.226 1.00 25.12 H new ATOM 0 HB3 GLU A 40 -4.260 1.907 5.249 1.00 25.12 H new ATOM 0 HG2 GLU A 40 -4.362 4.336 7.071 1.00 22.41 H new ATOM 0 HG3 GLU A 40 -3.909 4.414 5.380 1.00 22.41 H new ATOM 639 N ILE A 41 -5.896 -0.247 6.589 1.00 11.32 N ATOM 640 CA ILE A 41 -6.174 -1.594 6.093 1.00 62.21 C ATOM 641 C ILE A 41 -6.252 -1.586 4.557 1.00 34.03 C ATOM 642 O ILE A 41 -7.278 -1.228 3.973 1.00 1.15 O ATOM 643 CB ILE A 41 -7.493 -2.147 6.695 1.00 61.15 C ATOM 644 CG1 ILE A 41 -7.463 -2.056 8.233 1.00 45.24 C ATOM 645 CG2 ILE A 41 -7.736 -3.588 6.250 1.00 21.44 C ATOM 646 CD1 ILE A 41 -6.325 -2.827 8.877 1.00 14.54 C ATOM 0 H ILE A 41 -6.714 0.361 6.620 1.00 11.32 H new ATOM 0 HA ILE A 41 -5.359 -2.248 6.404 1.00 62.21 H new ATOM 0 HB ILE A 41 -8.316 -1.535 6.326 1.00 61.15 H new ATOM 0 HG12 ILE A 41 -7.387 -1.008 8.523 1.00 45.24 H new ATOM 0 HG13 ILE A 41 -8.409 -2.428 8.627 1.00 45.24 H new ATOM 0 HG21 ILE A 41 -8.667 -3.951 6.686 1.00 21.44 H new ATOM 0 HG22 ILE A 41 -7.805 -3.626 5.163 1.00 21.44 H new ATOM 0 HG23 ILE A 41 -6.910 -4.216 6.583 1.00 21.44 H new ATOM 0 HD11 ILE A 41 -6.375 -2.712 9.960 1.00 14.54 H new ATOM 0 HD12 ILE A 41 -6.410 -3.883 8.620 1.00 14.54 H new ATOM 0 HD13 ILE A 41 -5.373 -2.440 8.514 1.00 14.54 H new ATOM 658 N ILE A 42 -5.152 -1.966 3.914 1.00 14.24 N ATOM 659 CA ILE A 42 -5.018 -1.876 2.455 1.00 0.22 C ATOM 660 C ILE A 42 -5.673 -3.070 1.746 1.00 33.42 C ATOM 661 O ILE A 42 -5.308 -4.223 1.979 1.00 30.52 O ATOM 662 CB ILE A 42 -3.526 -1.794 2.015 1.00 51.53 C ATOM 663 CG1 ILE A 42 -2.821 -0.565 2.625 1.00 23.42 C ATOM 664 CG2 ILE A 42 -3.418 -1.762 0.491 1.00 2.00 C ATOM 665 CD1 ILE A 42 -2.502 -0.697 4.101 1.00 22.21 C ATOM 0 H ILE A 42 -4.329 -2.344 4.383 1.00 14.24 H new ATOM 0 HA ILE A 42 -5.531 -0.959 2.164 1.00 0.22 H new ATOM 0 HB ILE A 42 -3.024 -2.687 2.388 1.00 51.53 H new ATOM 0 HG12 ILE A 42 -1.895 -0.385 2.080 1.00 23.42 H new ATOM 0 HG13 ILE A 42 -3.453 0.311 2.479 1.00 23.42 H new ATOM 0 HG21 ILE A 42 -2.369 -1.705 0.202 1.00 2.00 H new ATOM 0 HG22 ILE A 42 -3.860 -2.668 0.076 1.00 2.00 H new ATOM 0 HG23 ILE A 42 -3.948 -0.891 0.107 1.00 2.00 H new ATOM 0 HD11 ILE A 42 -2.008 0.210 4.449 1.00 22.21 H new ATOM 0 HD12 ILE A 42 -3.425 -0.845 4.661 1.00 22.21 H new ATOM 0 HD13 ILE A 42 -1.843 -1.551 4.256 1.00 22.21 H new ATOM 677 N THR A 43 -6.637 -2.781 0.875 1.00 4.13 N ATOM 678 CA THR A 43 -7.281 -3.816 0.060 1.00 21.41 C ATOM 679 C THR A 43 -6.441 -4.103 -1.193 1.00 21.32 C ATOM 680 O THR A 43 -6.370 -3.270 -2.097 1.00 13.41 O ATOM 681 CB THR A 43 -8.700 -3.376 -0.385 1.00 12.10 C ATOM 682 OG1 THR A 43 -9.426 -2.811 0.717 1.00 25.44 O ATOM 683 CG2 THR A 43 -9.487 -4.551 -0.957 1.00 3.21 C ATOM 0 H THR A 43 -6.992 -1.839 0.713 1.00 4.13 H new ATOM 0 HA THR A 43 -7.361 -4.714 0.672 1.00 21.41 H new ATOM 0 HB THR A 43 -8.578 -2.621 -1.162 1.00 12.10 H new ATOM 0 HG1 THR A 43 -9.819 -1.956 0.445 1.00 25.44 H new ATOM 0 HG21 THR A 43 -10.478 -4.212 -1.260 1.00 3.21 H new ATOM 0 HG22 THR A 43 -8.961 -4.955 -1.822 1.00 3.21 H new ATOM 0 HG23 THR A 43 -9.586 -5.327 -0.198 1.00 3.21 H new ATOM 691 N VAL A 44 -5.795 -5.266 -1.251 1.00 14.52 N ATOM 692 CA VAL A 44 -4.933 -5.595 -2.396 1.00 74.11 C ATOM 693 C VAL A 44 -5.758 -6.031 -3.625 1.00 11.21 C ATOM 694 O VAL A 44 -6.228 -7.169 -3.719 1.00 35.04 O ATOM 695 CB VAL A 44 -3.867 -6.670 -2.038 1.00 24.42 C ATOM 696 CG1 VAL A 44 -4.507 -7.944 -1.491 1.00 23.32 C ATOM 697 CG2 VAL A 44 -2.978 -6.980 -3.245 1.00 61.12 C ATOM 0 H VAL A 44 -5.847 -5.989 -0.534 1.00 14.52 H new ATOM 0 HA VAL A 44 -4.401 -4.680 -2.655 1.00 74.11 H new ATOM 0 HB VAL A 44 -3.241 -6.256 -1.248 1.00 24.42 H new ATOM 0 HG11 VAL A 44 -3.729 -8.669 -1.253 1.00 23.32 H new ATOM 0 HG12 VAL A 44 -5.072 -7.709 -0.589 1.00 23.32 H new ATOM 0 HG13 VAL A 44 -5.178 -8.365 -2.240 1.00 23.32 H new ATOM 0 HG21 VAL A 44 -2.241 -7.734 -2.970 1.00 61.12 H new ATOM 0 HG22 VAL A 44 -3.593 -7.355 -4.063 1.00 61.12 H new ATOM 0 HG23 VAL A 44 -2.466 -6.072 -3.563 1.00 61.12 H new ATOM 707 N LEU A 45 -5.920 -5.106 -4.568 1.00 3.34 N ATOM 708 CA LEU A 45 -6.751 -5.331 -5.758 1.00 71.52 C ATOM 709 C LEU A 45 -6.053 -6.234 -6.784 1.00 61.43 C ATOM 710 O LEU A 45 -6.710 -6.955 -7.537 1.00 34.00 O ATOM 711 CB LEU A 45 -7.099 -3.985 -6.411 1.00 3.02 C ATOM 712 CG LEU A 45 -7.803 -2.968 -5.497 1.00 20.23 C ATOM 713 CD1 LEU A 45 -8.078 -1.668 -6.249 1.00 71.03 C ATOM 714 CD2 LEU A 45 -9.098 -3.552 -4.927 1.00 63.34 C ATOM 0 H LEU A 45 -5.484 -4.184 -4.534 1.00 3.34 H new ATOM 0 HA LEU A 45 -7.661 -5.836 -5.433 1.00 71.52 H new ATOM 0 HB2 LEU A 45 -6.180 -3.535 -6.786 1.00 3.02 H new ATOM 0 HB3 LEU A 45 -7.737 -4.174 -7.274 1.00 3.02 H new ATOM 0 HG LEU A 45 -7.139 -2.744 -4.662 1.00 20.23 H new ATOM 0 HD11 LEU A 45 -8.576 -0.962 -5.585 1.00 71.03 H new ATOM 0 HD12 LEU A 45 -7.136 -1.240 -6.593 1.00 71.03 H new ATOM 0 HD13 LEU A 45 -8.718 -1.873 -7.107 1.00 71.03 H new ATOM 0 HD21 LEU A 45 -9.578 -2.814 -4.284 1.00 63.34 H new ATOM 0 HD22 LEU A 45 -9.770 -3.813 -5.744 1.00 63.34 H new ATOM 0 HD23 LEU A 45 -8.869 -4.446 -4.346 1.00 63.34 H new ATOM 726 N ASP A 46 -4.726 -6.184 -6.819 1.00 23.33 N ATOM 727 CA ASP A 46 -3.951 -7.004 -7.754 1.00 43.44 C ATOM 728 C ASP A 46 -2.589 -7.392 -7.164 1.00 3.21 C ATOM 729 O ASP A 46 -1.929 -6.591 -6.498 1.00 1.34 O ATOM 730 CB ASP A 46 -3.761 -6.265 -9.084 1.00 11.33 C ATOM 731 CG ASP A 46 -2.988 -7.094 -10.096 1.00 51.10 C ATOM 732 OD1 ASP A 46 -3.477 -8.179 -10.470 1.00 55.41 O ATOM 733 OD2 ASP A 46 -1.887 -6.676 -10.510 1.00 14.03 O ATOM 0 H ASP A 46 -4.162 -5.587 -6.214 1.00 23.33 H new ATOM 0 HA ASP A 46 -4.512 -7.921 -7.934 1.00 43.44 H new ATOM 0 HB2 ASP A 46 -4.736 -6.007 -9.497 1.00 11.33 H new ATOM 0 HB3 ASP A 46 -3.233 -5.328 -8.905 1.00 11.33 H new ATOM 738 N ASP A 47 -2.184 -8.630 -7.424 1.00 72.41 N ATOM 739 CA ASP A 47 -0.916 -9.167 -6.933 1.00 24.31 C ATOM 740 C ASP A 47 -0.170 -9.928 -8.049 1.00 54.03 C ATOM 741 O ASP A 47 -0.214 -11.157 -8.129 1.00 1.33 O ATOM 742 CB ASP A 47 -1.169 -10.061 -5.703 1.00 53.53 C ATOM 743 CG ASP A 47 -2.350 -11.012 -5.890 1.00 44.45 C ATOM 744 OD1 ASP A 47 -3.503 -10.533 -5.974 1.00 30.32 O ATOM 745 OD2 ASP A 47 -2.140 -12.243 -5.941 1.00 24.42 O ATOM 0 H ASP A 47 -2.724 -9.292 -7.981 1.00 72.41 H new ATOM 0 HA ASP A 47 -0.274 -8.341 -6.627 1.00 24.31 H new ATOM 0 HB2 ASP A 47 -0.271 -10.642 -5.492 1.00 53.53 H new ATOM 0 HB3 ASP A 47 -1.352 -9.430 -4.833 1.00 53.53 H new ATOM 750 N SER A 48 0.488 -9.175 -8.932 1.00 51.31 N ATOM 751 CA SER A 48 1.231 -9.763 -10.064 1.00 42.21 C ATOM 752 C SER A 48 2.648 -10.181 -9.651 1.00 20.50 C ATOM 753 O SER A 48 3.098 -11.289 -9.957 1.00 71.32 O ATOM 754 CB SER A 48 1.306 -8.764 -11.230 1.00 31.43 C ATOM 755 OG SER A 48 0.009 -8.430 -11.707 1.00 23.31 O ATOM 0 H SER A 48 0.526 -8.157 -8.891 1.00 51.31 H new ATOM 0 HA SER A 48 0.692 -10.655 -10.383 1.00 42.21 H new ATOM 0 HB2 SER A 48 1.820 -7.860 -10.905 1.00 31.43 H new ATOM 0 HB3 SER A 48 1.895 -9.192 -12.041 1.00 31.43 H new ATOM 0 HG SER A 48 -0.423 -7.815 -11.078 1.00 23.31 H new ATOM 761 N ASP A 49 3.350 -9.280 -8.966 1.00 2.12 N ATOM 762 CA ASP A 49 4.701 -9.554 -8.463 1.00 43.12 C ATOM 763 C ASP A 49 4.710 -9.556 -6.926 1.00 50.44 C ATOM 764 O ASP A 49 4.082 -8.703 -6.305 1.00 74.34 O ATOM 765 CB ASP A 49 5.689 -8.497 -8.983 1.00 4.13 C ATOM 766 CG ASP A 49 5.749 -8.458 -10.498 1.00 51.44 C ATOM 767 OD1 ASP A 49 4.916 -7.766 -11.111 1.00 55.14 O ATOM 768 OD2 ASP A 49 6.628 -9.122 -11.087 1.00 51.55 O ATOM 0 H ASP A 49 3.005 -8.346 -8.744 1.00 2.12 H new ATOM 0 HA ASP A 49 5.007 -10.537 -8.822 1.00 43.12 H new ATOM 0 HB2 ASP A 49 5.398 -7.516 -8.608 1.00 4.13 H new ATOM 0 HB3 ASP A 49 6.683 -8.707 -8.588 1.00 4.13 H new ATOM 773 N PRO A 50 5.446 -10.488 -6.287 1.00 35.35 N ATOM 774 CA PRO A 50 5.512 -10.570 -4.812 1.00 22.41 C ATOM 775 C PRO A 50 6.015 -9.265 -4.163 1.00 61.05 C ATOM 776 O PRO A 50 5.806 -9.025 -2.972 1.00 54.23 O ATOM 777 CB PRO A 50 6.501 -11.723 -4.555 1.00 35.13 C ATOM 778 CG PRO A 50 7.242 -11.897 -5.843 1.00 5.01 C ATOM 779 CD PRO A 50 6.272 -11.528 -6.930 1.00 22.31 C ATOM 0 HA PRO A 50 4.527 -10.734 -4.375 1.00 22.41 H new ATOM 0 HB2 PRO A 50 7.182 -11.483 -3.738 1.00 35.13 H new ATOM 0 HB3 PRO A 50 5.977 -12.637 -4.275 1.00 35.13 H new ATOM 0 HG2 PRO A 50 8.125 -11.259 -5.875 1.00 5.01 H new ATOM 0 HG3 PRO A 50 7.587 -12.924 -5.959 1.00 5.01 H new ATOM 0 HD2 PRO A 50 6.781 -11.150 -7.816 1.00 22.31 H new ATOM 0 HD3 PRO A 50 5.674 -12.382 -7.246 1.00 22.31 H new ATOM 787 N ASN A 51 6.686 -8.436 -4.962 1.00 63.22 N ATOM 788 CA ASN A 51 7.183 -7.136 -4.502 1.00 14.11 C ATOM 789 C ASN A 51 6.220 -5.997 -4.886 1.00 21.21 C ATOM 790 O ASN A 51 6.090 -5.011 -4.163 1.00 34.43 O ATOM 791 CB ASN A 51 8.564 -6.870 -5.112 1.00 43.55 C ATOM 792 CG ASN A 51 9.525 -8.022 -4.892 1.00 74.34 C ATOM 793 OD1 ASN A 51 9.570 -8.962 -5.676 1.00 52.30 O ATOM 794 ND2 ASN A 51 10.304 -7.964 -3.832 1.00 1.24 N ATOM 0 H ASN A 51 6.900 -8.642 -5.938 1.00 63.22 H new ATOM 0 HA ASN A 51 7.255 -7.166 -3.415 1.00 14.11 H new ATOM 0 HB2 ASN A 51 8.457 -6.689 -6.182 1.00 43.55 H new ATOM 0 HB3 ASN A 51 8.982 -5.963 -4.676 1.00 43.55 H new ATOM 0 HD21 ASN A 51 10.968 -8.715 -3.646 1.00 1.24 H new ATOM 0 HD22 ASN A 51 10.243 -7.168 -3.197 1.00 1.24 H new ATOM 801 N TRP A 52 5.536 -6.142 -6.024 1.00 23.50 N ATOM 802 CA TRP A 52 4.658 -5.085 -6.550 1.00 3.44 C ATOM 803 C TRP A 52 3.175 -5.418 -6.336 1.00 42.22 C ATOM 804 O TRP A 52 2.550 -6.090 -7.160 1.00 13.23 O ATOM 805 CB TRP A 52 4.925 -4.859 -8.046 1.00 33.33 C ATOM 806 CG TRP A 52 6.299 -4.328 -8.342 1.00 31.32 C ATOM 807 CD1 TRP A 52 7.465 -5.033 -8.341 1.00 70.33 C ATOM 808 CD2 TRP A 52 6.645 -2.980 -8.688 1.00 70.44 C ATOM 809 NE1 TRP A 52 8.514 -4.207 -8.656 1.00 51.22 N ATOM 810 CE2 TRP A 52 8.037 -2.942 -8.873 1.00 63.33 C ATOM 811 CE3 TRP A 52 5.911 -1.803 -8.855 1.00 12.43 C ATOM 812 CZ2 TRP A 52 8.713 -1.772 -9.216 1.00 62.43 C ATOM 813 CZ3 TRP A 52 6.580 -0.642 -9.197 1.00 12.04 C ATOM 814 CH2 TRP A 52 7.969 -0.633 -9.373 1.00 41.11 C ATOM 0 H TRP A 52 5.571 -6.982 -6.602 1.00 23.50 H new ATOM 0 HA TRP A 52 4.884 -4.173 -5.998 1.00 3.44 H new ATOM 0 HB2 TRP A 52 4.787 -5.801 -8.577 1.00 33.33 H new ATOM 0 HB3 TRP A 52 4.184 -4.162 -8.437 1.00 33.33 H new ATOM 0 HD1 TRP A 52 7.551 -6.087 -8.124 1.00 70.33 H new ATOM 0 HE1 TRP A 52 9.492 -4.490 -8.719 1.00 51.22 H new ATOM 0 HE3 TRP A 52 4.840 -1.800 -8.719 1.00 12.43 H new ATOM 0 HZ2 TRP A 52 9.784 -1.764 -9.353 1.00 62.43 H new ATOM 0 HZ3 TRP A 52 6.022 0.273 -9.331 1.00 12.04 H new ATOM 0 HH2 TRP A 52 8.463 0.290 -9.638 1.00 41.11 H new ATOM 825 N TRP A 53 2.625 -4.955 -5.219 1.00 72.53 N ATOM 826 CA TRP A 53 1.201 -5.141 -4.915 1.00 45.31 C ATOM 827 C TRP A 53 0.388 -3.872 -5.211 1.00 13.02 C ATOM 828 O TRP A 53 0.856 -2.749 -5.001 1.00 60.04 O ATOM 829 CB TRP A 53 1.017 -5.552 -3.448 1.00 72.20 C ATOM 830 CG TRP A 53 1.323 -6.997 -3.179 1.00 22.11 C ATOM 831 CD1 TRP A 53 2.083 -7.838 -3.945 1.00 73.14 C ATOM 832 CD2 TRP A 53 0.869 -7.772 -2.062 1.00 72.44 C ATOM 833 NE1 TRP A 53 2.120 -9.085 -3.376 1.00 71.52 N ATOM 834 CE2 TRP A 53 1.386 -9.070 -2.220 1.00 73.11 C ATOM 835 CE3 TRP A 53 0.073 -7.492 -0.944 1.00 45.20 C ATOM 836 CZ2 TRP A 53 1.136 -10.087 -1.304 1.00 4.30 C ATOM 837 CZ3 TRP A 53 -0.175 -8.505 -0.035 1.00 41.02 C ATOM 838 CH2 TRP A 53 0.356 -9.787 -0.220 1.00 61.01 C ATOM 0 H TRP A 53 3.142 -4.445 -4.503 1.00 72.53 H new ATOM 0 HA TRP A 53 0.829 -5.936 -5.561 1.00 45.31 H new ATOM 0 HB2 TRP A 53 1.660 -4.932 -2.824 1.00 72.20 H new ATOM 0 HB3 TRP A 53 -0.011 -5.347 -3.149 1.00 72.20 H new ATOM 0 HD1 TRP A 53 2.580 -7.561 -4.863 1.00 73.14 H new ATOM 0 HE1 TRP A 53 2.615 -9.894 -3.753 1.00 71.52 H new ATOM 0 HE3 TRP A 53 -0.339 -6.505 -0.795 1.00 45.20 H new ATOM 0 HZ2 TRP A 53 1.543 -11.078 -1.443 1.00 4.30 H new ATOM 0 HZ3 TRP A 53 -0.788 -8.304 0.831 1.00 41.02 H new ATOM 0 HH2 TRP A 53 0.146 -10.556 0.508 1.00 61.01 H new ATOM 849 N LYS A 54 -0.833 -4.071 -5.701 1.00 50.10 N ATOM 850 CA LYS A 54 -1.748 -2.968 -6.022 1.00 41.43 C ATOM 851 C LYS A 54 -2.779 -2.787 -4.897 1.00 45.32 C ATOM 852 O LYS A 54 -3.616 -3.661 -4.668 1.00 14.10 O ATOM 853 CB LYS A 54 -2.452 -3.283 -7.348 1.00 72.34 C ATOM 854 CG LYS A 54 -3.388 -2.190 -7.861 1.00 11.24 C ATOM 855 CD LYS A 54 -4.031 -2.610 -9.181 1.00 40.21 C ATOM 856 CE LYS A 54 -4.894 -1.511 -9.789 1.00 13.01 C ATOM 857 NZ LYS A 54 -5.484 -1.942 -11.082 1.00 31.11 N ATOM 0 H LYS A 54 -1.219 -4.996 -5.888 1.00 50.10 H new ATOM 0 HA LYS A 54 -1.186 -2.039 -6.118 1.00 41.43 H new ATOM 0 HB2 LYS A 54 -1.694 -3.476 -8.107 1.00 72.34 H new ATOM 0 HB3 LYS A 54 -3.024 -4.203 -7.228 1.00 72.34 H new ATOM 0 HG2 LYS A 54 -4.162 -1.990 -7.120 1.00 11.24 H new ATOM 0 HG3 LYS A 54 -2.832 -1.263 -8.000 1.00 11.24 H new ATOM 0 HD2 LYS A 54 -3.250 -2.887 -9.889 1.00 40.21 H new ATOM 0 HD3 LYS A 54 -4.642 -3.498 -9.017 1.00 40.21 H new ATOM 0 HE2 LYS A 54 -5.690 -1.245 -9.094 1.00 13.01 H new ATOM 0 HE3 LYS A 54 -4.292 -0.615 -9.942 1.00 13.01 H new ATOM 0 HZ1 LYS A 54 -5.863 -1.114 -11.584 1.00 31.11 H new ATOM 0 HZ2 LYS A 54 -4.751 -2.394 -11.665 1.00 31.11 H new ATOM 0 HZ3 LYS A 54 -6.252 -2.621 -10.904 1.00 31.11 H new ATOM 871 N GLY A 55 -2.732 -1.643 -4.217 1.00 53.25 N ATOM 872 CA GLY A 55 -3.539 -1.458 -3.013 1.00 32.12 C ATOM 873 C GLY A 55 -4.614 -0.381 -3.122 1.00 24.04 C ATOM 874 O GLY A 55 -4.449 0.619 -3.826 1.00 44.14 O ATOM 0 H GLY A 55 -2.154 -0.843 -4.473 1.00 53.25 H new ATOM 0 HA2 GLY A 55 -4.018 -2.405 -2.764 1.00 32.12 H new ATOM 0 HA3 GLY A 55 -2.877 -1.208 -2.184 1.00 32.12 H new ATOM 878 N GLU A 56 -5.720 -0.605 -2.418 1.00 71.34 N ATOM 879 CA GLU A 56 -6.807 0.370 -2.294 1.00 15.45 C ATOM 880 C GLU A 56 -6.896 0.874 -0.846 1.00 64.31 C ATOM 881 O GLU A 56 -6.954 0.080 0.095 1.00 53.24 O ATOM 882 CB GLU A 56 -8.132 -0.277 -2.741 1.00 62.22 C ATOM 883 CG GLU A 56 -9.359 0.637 -2.681 1.00 13.53 C ATOM 884 CD GLU A 56 -10.046 0.658 -1.317 1.00 74.01 C ATOM 885 OE1 GLU A 56 -10.277 -0.424 -0.738 1.00 20.43 O ATOM 886 OE2 GLU A 56 -10.391 1.755 -0.830 1.00 74.02 O ATOM 0 H GLU A 56 -5.891 -1.474 -1.912 1.00 71.34 H new ATOM 0 HA GLU A 56 -6.608 1.227 -2.937 1.00 15.45 H new ATOM 0 HB2 GLU A 56 -8.016 -0.635 -3.764 1.00 62.22 H new ATOM 0 HB3 GLU A 56 -8.319 -1.151 -2.117 1.00 62.22 H new ATOM 0 HG2 GLU A 56 -9.058 1.652 -2.941 1.00 13.53 H new ATOM 0 HG3 GLU A 56 -10.078 0.315 -3.434 1.00 13.53 H new ATOM 893 N THR A 57 -6.886 2.193 -0.672 1.00 65.24 N ATOM 894 CA THR A 57 -6.879 2.808 0.669 1.00 24.25 C ATOM 895 C THR A 57 -7.926 3.918 0.788 1.00 60.23 C ATOM 896 O THR A 57 -8.563 4.296 -0.196 1.00 12.44 O ATOM 897 CB THR A 57 -5.497 3.416 1.012 1.00 73.50 C ATOM 898 OG1 THR A 57 -5.189 4.484 0.101 1.00 64.25 O ATOM 899 CG2 THR A 57 -4.396 2.362 0.957 1.00 52.13 C ATOM 0 H THR A 57 -6.882 2.865 -1.439 1.00 65.24 H new ATOM 0 HA THR A 57 -7.113 2.005 1.368 1.00 24.25 H new ATOM 0 HB THR A 57 -5.547 3.805 2.029 1.00 73.50 H new ATOM 0 HG1 THR A 57 -5.418 4.211 -0.812 1.00 64.25 H new ATOM 0 HG21 THR A 57 -3.439 2.822 1.203 1.00 52.13 H new ATOM 0 HG22 THR A 57 -4.613 1.571 1.675 1.00 52.13 H new ATOM 0 HG23 THR A 57 -4.348 1.938 -0.046 1.00 52.13 H new ATOM 907 N HIS A 58 -8.071 4.470 1.993 1.00 32.04 N ATOM 908 CA HIS A 58 -9.048 5.534 2.241 1.00 53.34 C ATOM 909 C HIS A 58 -8.620 6.873 1.617 1.00 50.33 C ATOM 910 O HIS A 58 -9.305 7.883 1.778 1.00 75.34 O ATOM 911 CB HIS A 58 -9.288 5.691 3.746 1.00 62.10 C ATOM 912 CG HIS A 58 -9.897 4.473 4.366 1.00 64.43 C ATOM 913 ND1 HIS A 58 -9.165 3.522 5.037 1.00 45.15 N ATOM 914 CD2 HIS A 58 -11.179 4.041 4.389 1.00 15.55 C ATOM 915 CE1 HIS A 58 -9.967 2.560 5.445 1.00 40.21 C ATOM 916 NE2 HIS A 58 -11.193 2.849 5.065 1.00 70.02 N ATOM 0 H HIS A 58 -7.526 4.200 2.812 1.00 32.04 H new ATOM 0 HA HIS A 58 -9.981 5.242 1.759 1.00 53.34 H new ATOM 0 HB2 HIS A 58 -8.341 5.909 4.239 1.00 62.10 H new ATOM 0 HB3 HIS A 58 -9.942 6.546 3.918 1.00 62.10 H new ATOM 0 HD2 HIS A 58 -12.032 4.542 3.956 1.00 15.55 H new ATOM 0 HE1 HIS A 58 -9.668 1.682 5.998 1.00 40.21 H new ATOM 0 HE2 HIS A 58 -12.019 2.279 5.244 1.00 70.02 H new ATOM 925 N GLN A 59 -7.487 6.881 0.915 1.00 1.01 N ATOM 926 CA GLN A 59 -7.054 8.062 0.154 1.00 11.25 C ATOM 927 C GLN A 59 -7.154 7.814 -1.363 1.00 74.34 C ATOM 928 O GLN A 59 -7.715 8.626 -2.105 1.00 50.31 O ATOM 929 CB GLN A 59 -5.609 8.436 0.515 1.00 71.11 C ATOM 930 CG GLN A 59 -5.126 9.715 -0.163 1.00 21.04 C ATOM 931 CD GLN A 59 -3.635 9.953 -0.006 1.00 44.51 C ATOM 932 OE1 GLN A 59 -2.838 9.529 -0.836 1.00 63.12 O ATOM 933 NE2 GLN A 59 -3.245 10.631 1.055 1.00 52.34 N ATOM 0 H GLN A 59 -6.850 6.086 0.855 1.00 1.01 H new ATOM 0 HA GLN A 59 -7.718 8.885 0.419 1.00 11.25 H new ATOM 0 HB2 GLN A 59 -5.532 8.555 1.596 1.00 71.11 H new ATOM 0 HB3 GLN A 59 -4.949 7.615 0.237 1.00 71.11 H new ATOM 0 HG2 GLN A 59 -5.370 9.669 -1.224 1.00 21.04 H new ATOM 0 HG3 GLN A 59 -5.668 10.565 0.252 1.00 21.04 H new ATOM 0 HE21 GLN A 59 -3.935 10.969 1.726 1.00 52.34 H new ATOM 0 HE22 GLN A 59 -2.253 10.817 1.205 1.00 52.34 H new ATOM 942 N GLY A 60 -6.606 6.687 -1.818 1.00 73.30 N ATOM 943 CA GLY A 60 -6.617 6.368 -3.243 1.00 43.21 C ATOM 944 C GLY A 60 -6.018 4.998 -3.569 1.00 52.41 C ATOM 945 O GLY A 60 -5.830 4.162 -2.681 1.00 65.43 O ATOM 0 H GLY A 60 -6.154 5.988 -1.228 1.00 73.30 H new ATOM 0 HA2 GLY A 60 -7.644 6.402 -3.606 1.00 43.21 H new ATOM 0 HA3 GLY A 60 -6.062 7.135 -3.783 1.00 43.21 H new ATOM 949 N ILE A 61 -5.716 4.776 -4.851 1.00 55.35 N ATOM 950 CA ILE A 61 -5.163 3.495 -5.320 1.00 25.02 C ATOM 951 C ILE A 61 -3.770 3.677 -5.949 1.00 10.31 C ATOM 952 O ILE A 61 -3.556 4.574 -6.771 1.00 52.21 O ATOM 953 CB ILE A 61 -6.110 2.827 -6.353 1.00 24.30 C ATOM 954 CG1 ILE A 61 -7.504 2.606 -5.735 1.00 1.24 C ATOM 955 CG2 ILE A 61 -5.527 1.505 -6.855 1.00 24.43 C ATOM 956 CD1 ILE A 61 -8.512 2.004 -6.691 1.00 11.31 C ATOM 0 H ILE A 61 -5.845 5.468 -5.589 1.00 55.35 H new ATOM 0 HA ILE A 61 -5.070 2.850 -4.447 1.00 25.02 H new ATOM 0 HB ILE A 61 -6.210 3.496 -7.208 1.00 24.30 H new ATOM 0 HG12 ILE A 61 -7.406 1.953 -4.867 1.00 1.24 H new ATOM 0 HG13 ILE A 61 -7.886 3.561 -5.374 1.00 1.24 H new ATOM 0 HG21 ILE A 61 -6.210 1.057 -7.577 1.00 24.43 H new ATOM 0 HG22 ILE A 61 -4.564 1.690 -7.332 1.00 24.43 H new ATOM 0 HG23 ILE A 61 -5.391 0.825 -6.014 1.00 24.43 H new ATOM 0 HD11 ILE A 61 -9.467 1.880 -6.181 1.00 11.31 H new ATOM 0 HD12 ILE A 61 -8.641 2.665 -7.548 1.00 11.31 H new ATOM 0 HD13 ILE A 61 -8.154 1.033 -7.033 1.00 11.31 H new ATOM 968 N GLY A 62 -2.833 2.811 -5.569 1.00 11.30 N ATOM 969 CA GLY A 62 -1.458 2.909 -6.055 1.00 74.43 C ATOM 970 C GLY A 62 -0.642 1.662 -5.752 1.00 73.44 C ATOM 971 O GLY A 62 -1.168 0.684 -5.220 1.00 22.34 O ATOM 0 H GLY A 62 -3.000 2.035 -4.928 1.00 11.30 H new ATOM 0 HA2 GLY A 62 -1.468 3.080 -7.131 1.00 74.43 H new ATOM 0 HA3 GLY A 62 -0.976 3.774 -5.599 1.00 74.43 H new ATOM 975 N LEU A 63 0.641 1.691 -6.093 1.00 72.43 N ATOM 976 CA LEU A 63 1.539 0.570 -5.809 1.00 31.11 C ATOM 977 C LEU A 63 2.442 0.898 -4.616 1.00 34.52 C ATOM 978 O LEU A 63 2.638 2.064 -4.275 1.00 13.15 O ATOM 979 CB LEU A 63 2.393 0.239 -7.043 1.00 51.54 C ATOM 980 CG LEU A 63 1.606 -0.136 -8.311 1.00 43.42 C ATOM 981 CD1 LEU A 63 2.552 -0.430 -9.473 1.00 34.12 C ATOM 982 CD2 LEU A 63 0.692 -1.329 -8.051 1.00 74.42 C ATOM 0 H LEU A 63 1.086 2.477 -6.567 1.00 72.43 H new ATOM 0 HA LEU A 63 0.933 -0.301 -5.560 1.00 31.11 H new ATOM 0 HB2 LEU A 63 3.023 1.099 -7.269 1.00 51.54 H new ATOM 0 HB3 LEU A 63 3.059 -0.587 -6.792 1.00 51.54 H new ATOM 0 HG LEU A 63 0.985 0.717 -8.584 1.00 43.42 H new ATOM 0 HD11 LEU A 63 1.971 -0.693 -10.357 1.00 34.12 H new ATOM 0 HD12 LEU A 63 3.155 0.453 -9.684 1.00 34.12 H new ATOM 0 HD13 LEU A 63 3.206 -1.261 -9.208 1.00 34.12 H new ATOM 0 HD21 LEU A 63 0.147 -1.575 -8.962 1.00 74.42 H new ATOM 0 HD22 LEU A 63 1.291 -2.186 -7.744 1.00 74.42 H new ATOM 0 HD23 LEU A 63 -0.016 -1.080 -7.260 1.00 74.42 H new ATOM 994 N PHE A 64 2.977 -0.130 -3.972 1.00 71.12 N ATOM 995 CA PHE A 64 3.896 0.070 -2.846 1.00 64.43 C ATOM 996 C PHE A 64 4.977 -1.026 -2.783 1.00 30.15 C ATOM 997 O PHE A 64 5.044 -1.802 -1.827 1.00 21.13 O ATOM 998 CB PHE A 64 3.113 0.171 -1.520 1.00 24.52 C ATOM 999 CG PHE A 64 2.123 -0.951 -1.285 1.00 62.11 C ATOM 1000 CD1 PHE A 64 0.901 -0.967 -1.947 1.00 34.35 C ATOM 1001 CD2 PHE A 64 2.409 -1.980 -0.399 1.00 63.42 C ATOM 1002 CE1 PHE A 64 -0.009 -1.984 -1.733 1.00 13.13 C ATOM 1003 CE2 PHE A 64 1.501 -2.999 -0.181 1.00 65.54 C ATOM 1004 CZ PHE A 64 0.292 -3.002 -0.848 1.00 42.24 C ATOM 0 H PHE A 64 2.796 -1.107 -4.203 1.00 71.12 H new ATOM 0 HA PHE A 64 4.417 1.014 -3.006 1.00 64.43 H new ATOM 0 HB2 PHE A 64 3.824 0.189 -0.694 1.00 24.52 H new ATOM 0 HB3 PHE A 64 2.578 1.120 -1.501 1.00 24.52 H new ATOM 0 HD1 PHE A 64 0.660 -0.173 -2.638 1.00 34.35 H new ATOM 0 HD2 PHE A 64 3.352 -1.985 0.127 1.00 63.42 H new ATOM 0 HE1 PHE A 64 -0.954 -1.984 -2.256 1.00 13.13 H new ATOM 0 HE2 PHE A 64 1.737 -3.793 0.511 1.00 65.54 H new ATOM 0 HZ PHE A 64 -0.417 -3.799 -0.678 1.00 42.24 H new ATOM 1014 N PRO A 65 5.861 -1.091 -3.806 1.00 15.33 N ATOM 1015 CA PRO A 65 6.962 -2.075 -3.853 1.00 14.11 C ATOM 1016 C PRO A 65 7.931 -1.937 -2.668 1.00 55.15 C ATOM 1017 O PRO A 65 8.703 -2.852 -2.371 1.00 32.05 O ATOM 1018 CB PRO A 65 7.672 -1.767 -5.184 1.00 64.11 C ATOM 1019 CG PRO A 65 7.261 -0.375 -5.528 1.00 23.24 C ATOM 1020 CD PRO A 65 5.865 -0.216 -4.993 1.00 64.43 C ATOM 0 HA PRO A 65 6.591 -3.098 -3.787 1.00 14.11 H new ATOM 0 HB2 PRO A 65 8.754 -1.845 -5.081 1.00 64.11 H new ATOM 0 HB3 PRO A 65 7.374 -2.470 -5.962 1.00 64.11 H new ATOM 0 HG2 PRO A 65 7.937 0.354 -5.081 1.00 23.24 H new ATOM 0 HG3 PRO A 65 7.287 -0.215 -6.606 1.00 23.24 H new ATOM 0 HD2 PRO A 65 5.649 0.820 -4.731 1.00 64.43 H new ATOM 0 HD3 PRO A 65 5.116 -0.523 -5.723 1.00 64.43 H new ATOM 1028 N SER A 66 7.889 -0.784 -1.998 1.00 63.23 N ATOM 1029 CA SER A 66 8.670 -0.564 -0.772 1.00 62.12 C ATOM 1030 C SER A 66 8.261 -1.560 0.327 1.00 2.51 C ATOM 1031 O SER A 66 9.075 -1.942 1.170 1.00 41.42 O ATOM 1032 CB SER A 66 8.475 0.871 -0.267 1.00 60.35 C ATOM 1033 OG SER A 66 8.839 1.821 -1.256 1.00 21.42 O ATOM 0 H SER A 66 7.322 0.015 -2.282 1.00 63.23 H new ATOM 0 HA SER A 66 9.722 -0.722 -1.011 1.00 62.12 H new ATOM 0 HB2 SER A 66 7.433 1.020 0.017 1.00 60.35 H new ATOM 0 HB3 SER A 66 9.075 1.028 0.629 1.00 60.35 H new ATOM 0 HG SER A 66 8.066 2.010 -1.828 1.00 21.42 H new ATOM 1039 N ASN A 67 6.993 -1.976 0.291 1.00 13.41 N ATOM 1040 CA ASN A 67 6.434 -2.969 1.223 1.00 11.00 C ATOM 1041 C ASN A 67 6.633 -2.570 2.703 1.00 21.45 C ATOM 1042 O ASN A 67 7.526 -3.070 3.394 1.00 44.11 O ATOM 1043 CB ASN A 67 7.011 -4.368 0.944 1.00 0.23 C ATOM 1044 CG ASN A 67 6.209 -5.476 1.609 1.00 22.32 C ATOM 1045 OD1 ASN A 67 5.607 -5.284 2.659 1.00 32.23 O ATOM 1046 ND2 ASN A 67 6.190 -6.647 1.004 1.00 1.54 N ATOM 0 H ASN A 67 6.316 -1.633 -0.390 1.00 13.41 H new ATOM 0 HA ASN A 67 5.358 -2.998 1.049 1.00 11.00 H new ATOM 0 HB2 ASN A 67 7.036 -4.539 -0.132 1.00 0.23 H new ATOM 0 HB3 ASN A 67 8.041 -4.409 1.297 1.00 0.23 H new ATOM 0 HD21 ASN A 67 5.665 -7.422 1.409 1.00 1.54 H new ATOM 0 HD22 ASN A 67 6.700 -6.778 0.131 1.00 1.54 H new ATOM 1053 N PHE A 68 5.797 -1.643 3.167 1.00 40.41 N ATOM 1054 CA PHE A 68 5.800 -1.191 4.567 1.00 64.22 C ATOM 1055 C PHE A 68 4.521 -1.649 5.295 1.00 45.02 C ATOM 1056 O PHE A 68 4.098 -1.061 6.293 1.00 5.12 O ATOM 1057 CB PHE A 68 5.949 0.341 4.610 1.00 40.53 C ATOM 1058 CG PHE A 68 5.295 1.042 3.443 1.00 30.30 C ATOM 1059 CD1 PHE A 68 3.934 1.288 3.433 1.00 25.40 C ATOM 1060 CD2 PHE A 68 6.050 1.435 2.344 1.00 72.23 C ATOM 1061 CE1 PHE A 68 3.340 1.916 2.356 1.00 10.43 C ATOM 1062 CE2 PHE A 68 5.460 2.063 1.268 1.00 2.20 C ATOM 1063 CZ PHE A 68 4.102 2.303 1.273 1.00 53.12 C ATOM 0 H PHE A 68 5.097 -1.181 2.587 1.00 40.41 H new ATOM 0 HA PHE A 68 6.646 -1.641 5.087 1.00 64.22 H new ATOM 0 HB2 PHE A 68 5.515 0.715 5.538 1.00 40.53 H new ATOM 0 HB3 PHE A 68 7.009 0.595 4.629 1.00 40.53 H new ATOM 0 HD1 PHE A 68 3.330 0.986 4.276 1.00 25.40 H new ATOM 0 HD2 PHE A 68 7.113 1.246 2.333 1.00 72.23 H new ATOM 0 HE1 PHE A 68 2.277 2.105 2.362 1.00 10.43 H new ATOM 0 HE2 PHE A 68 6.060 2.366 0.423 1.00 2.20 H new ATOM 0 HZ PHE A 68 3.636 2.793 0.431 1.00 53.12 H new ATOM 1073 N VAL A 69 3.925 -2.724 4.782 1.00 0.52 N ATOM 1074 CA VAL A 69 2.720 -3.326 5.372 1.00 22.42 C ATOM 1075 C VAL A 69 2.991 -4.786 5.769 1.00 62.12 C ATOM 1076 O VAL A 69 4.118 -5.264 5.651 1.00 31.11 O ATOM 1077 CB VAL A 69 1.526 -3.278 4.380 1.00 3.12 C ATOM 1078 CG1 VAL A 69 1.194 -1.837 4.000 1.00 4.35 C ATOM 1079 CG2 VAL A 69 1.822 -4.105 3.129 1.00 71.15 C ATOM 0 H VAL A 69 4.259 -3.205 3.947 1.00 0.52 H new ATOM 0 HA VAL A 69 2.462 -2.748 6.259 1.00 22.42 H new ATOM 0 HB VAL A 69 0.659 -3.711 4.879 1.00 3.12 H new ATOM 0 HG11 VAL A 69 0.355 -1.828 3.305 1.00 4.35 H new ATOM 0 HG12 VAL A 69 0.928 -1.276 4.896 1.00 4.35 H new ATOM 0 HG13 VAL A 69 2.062 -1.376 3.528 1.00 4.35 H new ATOM 0 HG21 VAL A 69 0.971 -4.055 2.450 1.00 71.15 H new ATOM 0 HG22 VAL A 69 2.707 -3.708 2.631 1.00 71.15 H new ATOM 0 HG23 VAL A 69 2.000 -5.142 3.412 1.00 71.15 H new ATOM 1089 N THR A 70 1.971 -5.496 6.248 1.00 30.12 N ATOM 1090 CA THR A 70 2.132 -6.922 6.578 1.00 62.25 C ATOM 1091 C THR A 70 0.790 -7.657 6.683 1.00 24.42 C ATOM 1092 O THR A 70 -0.273 -7.041 6.789 1.00 51.02 O ATOM 1093 CB THR A 70 2.917 -7.122 7.899 1.00 72.13 C ATOM 1094 OG1 THR A 70 3.177 -8.518 8.113 1.00 0.11 O ATOM 1095 CG2 THR A 70 2.148 -6.561 9.093 1.00 22.43 C ATOM 0 H THR A 70 1.037 -5.121 6.416 1.00 30.12 H new ATOM 0 HA THR A 70 2.699 -7.349 5.751 1.00 62.25 H new ATOM 0 HB THR A 70 3.859 -6.581 7.810 1.00 72.13 H new ATOM 0 HG1 THR A 70 3.675 -8.634 8.949 1.00 0.11 H new ATOM 0 HG21 THR A 70 2.726 -6.717 10.004 1.00 22.43 H new ATOM 0 HG22 THR A 70 1.980 -5.494 8.949 1.00 22.43 H new ATOM 0 HG23 THR A 70 1.189 -7.071 9.180 1.00 22.43 H new ATOM 1103 N ALA A 71 0.858 -8.988 6.651 1.00 63.53 N ATOM 1104 CA ALA A 71 -0.330 -9.837 6.769 1.00 62.10 C ATOM 1105 C ALA A 71 -0.820 -9.912 8.222 1.00 55.04 C ATOM 1106 O ALA A 71 -0.206 -10.577 9.062 1.00 73.31 O ATOM 1107 CB ALA A 71 -0.023 -11.233 6.235 1.00 30.21 C ATOM 0 H ALA A 71 1.730 -9.506 6.543 1.00 63.53 H new ATOM 0 HA ALA A 71 -1.129 -9.394 6.174 1.00 62.10 H new ATOM 0 HB1 ALA A 71 -0.910 -11.860 6.325 1.00 30.21 H new ATOM 0 HB2 ALA A 71 0.269 -11.166 5.187 1.00 30.21 H new ATOM 0 HB3 ALA A 71 0.792 -11.672 6.811 1.00 30.21 H new ATOM 1113 N ASP A 72 -1.917 -9.224 8.518 1.00 41.41 N ATOM 1114 CA ASP A 72 -2.472 -9.199 9.875 1.00 23.11 C ATOM 1115 C ASP A 72 -3.444 -10.378 10.097 1.00 31.22 C ATOM 1116 O ASP A 72 -4.542 -10.379 9.493 1.00 37.06 O ATOM 1117 CB ASP A 72 -3.175 -7.860 10.134 1.00 64.14 C ATOM 1118 CG ASP A 72 -3.500 -7.648 11.605 1.00 61.30 C ATOM 1119 OD1 ASP A 72 -4.517 -8.188 12.083 1.00 50.24 O ATOM 1120 OD2 ASP A 72 -2.727 -6.954 12.300 1.00 51.41 O ATOM 1121 OXT ASP A 72 -3.101 -11.302 10.870 1.00 37.06 O ATOM 0 H ASP A 72 -2.443 -8.674 7.839 1.00 41.41 H new ATOM 0 HA ASP A 72 -1.651 -9.306 10.584 1.00 23.11 H new ATOM 0 HB2 ASP A 72 -2.540 -7.046 9.785 1.00 64.14 H new ATOM 0 HB3 ASP A 72 -4.096 -7.818 9.552 1.00 64.14 H new TER 1126 ASP A 72