USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 697 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 7 THR OG1 : rot -47:sc= 0.117! USER MOD Set 1.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 76 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Set 3.1: A 13 ASN : amide:sc= -2.29 K(o=-2.3,f=-5.2!) USER MOD Set 3.2: A 16 HIS : no HD1:sc= 0 X(o=-2.3,f=-2.3) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -150:sc= 0.301 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0585) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc=0.000616 USER MOD Single : A 28 MET CE :methyl -178:sc= 0 (180deg=-0.00644) USER MOD Single : A 36 HIS : no HD1:sc= -0.538 K(o=-0.54,f=-1.8!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -171:sc= -3.79 (180deg=-3.95!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.000576 USER MOD Single : A 56 SER OG : rot 22:sc= 0.969 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.02 K(o=-1,f=-3.1!) USER MOD Single : A 70 THR OG1 : rot 50:sc= -0.455 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 30:sc= -2.12 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 141:sc= 1.61 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 3 0.239 19.536 28.289 1.00 0.00 N ATOM 34 CA LYS A 3 1.191 18.552 28.797 1.00 0.00 C ATOM 35 C LYS A 3 2.593 19.145 28.830 1.00 0.00 C ATOM 36 O LYS A 3 3.201 19.383 27.787 1.00 0.00 O ATOM 37 CB LYS A 3 1.173 17.305 27.918 1.00 0.00 C ATOM 38 CG LYS A 3 0.516 16.132 28.639 1.00 0.00 C ATOM 39 CD LYS A 3 0.443 14.899 27.743 1.00 0.00 C ATOM 40 CE LYS A 3 1.830 14.315 27.491 1.00 0.00 C ATOM 41 NZ LYS A 3 1.981 13.870 26.076 1.00 0.00 N ATOM 0 HA LYS A 3 0.902 18.276 29.811 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.634 17.516 26.994 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.192 17.039 27.639 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.080 15.895 29.541 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.488 16.414 28.956 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.192 14.145 28.208 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.021 15.164 26.793 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.589 15.062 27.723 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.999 13.471 28.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.934 13.478 25.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.271 13.140 25.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.843 14.682 25.440 1.00 0.00 H new ATOM 55 N VAL A 4 3.100 19.386 30.034 1.00 0.00 N ATOM 56 CA VAL A 4 4.432 19.957 30.202 1.00 0.00 C ATOM 57 C VAL A 4 5.357 18.963 30.888 1.00 0.00 C ATOM 58 O VAL A 4 4.913 17.989 31.497 1.00 0.00 O ATOM 59 CB VAL A 4 4.342 21.260 31.008 1.00 0.00 C ATOM 60 CG1 VAL A 4 3.411 21.086 32.205 1.00 0.00 C ATOM 61 CG2 VAL A 4 5.716 21.750 31.468 1.00 0.00 C ATOM 0 H VAL A 4 2.609 19.195 30.908 1.00 0.00 H new ATOM 0 HA VAL A 4 4.847 20.181 29.219 1.00 0.00 H new ATOM 0 HB VAL A 4 3.931 22.021 30.345 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.360 22.020 32.765 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.414 20.817 31.855 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.793 20.296 32.852 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.602 22.674 32.034 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.180 20.992 32.100 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.347 21.933 30.598 1.00 0.00 H new ATOM 71 N THR A 5 6.649 19.232 30.783 1.00 0.00 N ATOM 72 CA THR A 5 7.671 18.383 31.388 1.00 0.00 C ATOM 73 C THR A 5 8.703 19.241 32.109 1.00 0.00 C ATOM 74 O THR A 5 8.974 20.371 31.705 1.00 0.00 O ATOM 75 CB THR A 5 8.353 17.538 30.316 1.00 0.00 C ATOM 76 OG1 THR A 5 8.295 18.202 29.063 1.00 0.00 O ATOM 77 CG2 THR A 5 7.697 16.165 30.211 1.00 0.00 C ATOM 0 H THR A 5 7.020 20.038 30.280 1.00 0.00 H new ATOM 0 HA THR A 5 7.195 17.720 32.110 1.00 0.00 H new ATOM 0 HB THR A 5 9.396 17.400 30.599 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.736 17.653 28.381 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.199 15.580 29.441 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.777 15.650 31.168 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.646 16.283 29.949 1.00 0.00 H new ATOM 85 N PHE A 6 9.274 18.699 33.179 1.00 0.00 N ATOM 86 CA PHE A 6 10.277 19.419 33.957 1.00 0.00 C ATOM 87 C PHE A 6 11.603 18.670 33.936 1.00 0.00 C ATOM 88 O PHE A 6 11.681 17.542 33.449 1.00 0.00 O ATOM 89 CB PHE A 6 9.796 19.593 35.394 1.00 0.00 C ATOM 90 CG PHE A 6 8.735 20.656 35.533 1.00 0.00 C ATOM 91 CD1 PHE A 6 7.472 20.450 35.003 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.022 21.842 36.191 1.00 0.00 C ATOM 93 CE1 PHE A 6 6.498 21.426 35.130 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.047 22.818 36.317 1.00 0.00 C ATOM 95 CZ PHE A 6 6.785 22.610 35.787 1.00 0.00 C ATOM 0 H PHE A 6 9.060 17.765 33.528 1.00 0.00 H new ATOM 0 HA PHE A 6 10.426 20.402 33.511 1.00 0.00 H new ATOM 0 HB2 PHE A 6 9.402 18.644 35.757 1.00 0.00 H new ATOM 0 HB3 PHE A 6 10.645 19.849 36.028 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.247 19.527 34.490 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.006 22.005 36.605 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.514 21.263 34.716 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.272 23.742 36.829 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.025 23.371 35.886 1.00 0.00 H new ATOM 105 N THR A 7 12.645 19.304 34.466 1.00 0.00 N ATOM 106 CA THR A 7 13.972 18.698 34.508 1.00 0.00 C ATOM 107 C THR A 7 14.883 19.503 35.422 1.00 0.00 C ATOM 108 O THR A 7 14.951 20.727 35.323 1.00 0.00 O ATOM 109 CB THR A 7 14.573 18.640 33.105 1.00 0.00 C ATOM 110 OG1 THR A 7 13.562 18.358 32.151 1.00 0.00 O ATOM 111 CG2 THR A 7 15.671 17.583 33.031 1.00 0.00 C ATOM 0 H THR A 7 12.596 20.238 34.873 1.00 0.00 H new ATOM 0 HA THR A 7 13.879 17.684 34.896 1.00 0.00 H new ATOM 0 HB THR A 7 15.013 19.612 32.880 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.009 17.614 32.470 1.00 0.00 H new ATOM 0 HG21 THR A 7 16.085 17.559 32.023 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.460 17.828 33.742 1.00 0.00 H new ATOM 0 HG23 THR A 7 15.253 16.606 33.275 1.00 0.00 H new ATOM 119 N VAL A 8 15.579 18.813 36.314 1.00 0.00 N ATOM 120 CA VAL A 8 16.482 19.469 37.250 1.00 0.00 C ATOM 121 C VAL A 8 17.826 19.749 36.589 1.00 0.00 C ATOM 122 O VAL A 8 18.707 18.890 36.560 1.00 0.00 O ATOM 123 CB VAL A 8 16.664 18.589 38.479 1.00 0.00 C ATOM 124 CG1 VAL A 8 17.490 19.308 39.542 1.00 0.00 C ATOM 125 CG2 VAL A 8 15.301 18.187 39.035 1.00 0.00 C ATOM 0 H VAL A 8 15.536 17.798 36.410 1.00 0.00 H new ATOM 0 HA VAL A 8 16.051 20.423 37.554 1.00 0.00 H new ATOM 0 HB VAL A 8 17.205 17.688 38.188 1.00 0.00 H new ATOM 0 HG11 VAL A 8 17.607 18.661 40.411 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.472 19.552 39.136 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.982 20.225 39.839 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.438 17.557 39.914 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.743 19.081 39.312 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.747 17.635 38.276 1.00 0.00 H new ATOM 135 N GLU A 9 17.973 20.959 36.059 1.00 0.00 N ATOM 136 CA GLU A 9 19.205 21.368 35.392 1.00 0.00 C ATOM 137 C GLU A 9 20.402 21.163 36.310 1.00 0.00 C ATOM 138 O GLU A 9 20.253 20.741 37.456 1.00 0.00 O ATOM 139 CB GLU A 9 19.111 22.835 34.986 1.00 0.00 C ATOM 140 CG GLU A 9 18.322 22.998 33.691 1.00 0.00 C ATOM 141 CD GLU A 9 18.898 24.139 32.863 1.00 0.00 C ATOM 142 OE1 GLU A 9 19.648 24.964 33.425 1.00 0.00 O ATOM 143 OE2 GLU A 9 18.599 24.205 31.652 1.00 0.00 O ATOM 0 H GLU A 9 17.250 21.678 36.079 1.00 0.00 H new ATOM 0 HA GLU A 9 19.339 20.754 34.501 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.632 23.405 35.782 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.113 23.245 34.859 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.354 22.071 33.118 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.274 23.196 33.918 1.00 0.00 H new ATOM 150 N LYS A 10 21.592 21.468 35.798 1.00 0.00 N ATOM 151 CA LYS A 10 22.822 21.320 36.570 1.00 0.00 C ATOM 152 C LYS A 10 23.080 22.566 37.407 1.00 0.00 C ATOM 153 O LYS A 10 24.164 23.147 37.355 1.00 0.00 O ATOM 154 CB LYS A 10 24.000 21.077 35.630 1.00 0.00 C ATOM 155 CG LYS A 10 23.740 19.888 34.709 1.00 0.00 C ATOM 156 CD LYS A 10 23.618 18.590 35.502 1.00 0.00 C ATOM 157 CE LYS A 10 24.750 17.625 35.161 1.00 0.00 C ATOM 158 NZ LYS A 10 25.297 16.977 36.386 1.00 0.00 N ATOM 0 H LYS A 10 21.730 21.820 34.851 1.00 0.00 H new ATOM 0 HA LYS A 10 22.711 20.466 37.238 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.181 21.970 35.032 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.903 20.897 36.214 1.00 0.00 H new ATOM 0 HG2 LYS A 10 22.825 20.058 34.142 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.551 19.801 33.986 1.00 0.00 H new ATOM 0 HD2 LYS A 10 23.634 18.810 36.569 1.00 0.00 H new ATOM 0 HD3 LYS A 10 22.659 18.119 35.288 1.00 0.00 H new ATOM 0 HE2 LYS A 10 24.385 16.861 34.475 1.00 0.00 H new ATOM 0 HE3 LYS A 10 25.546 18.162 34.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 26.065 16.327 36.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 25.667 17.706 37.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 24.542 16.445 36.864 1.00 0.00 H new ATOM 172 N GLY A 11 22.079 22.973 38.181 1.00 0.00 N ATOM 173 CA GLY A 11 22.199 24.152 39.031 1.00 0.00 C ATOM 174 C GLY A 11 21.544 23.913 40.386 1.00 0.00 C ATOM 175 O GLY A 11 21.150 24.857 41.070 1.00 0.00 O ATOM 0 H GLY A 11 21.175 22.503 38.237 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.251 24.400 39.170 1.00 0.00 H new ATOM 0 HA3 GLY A 11 21.732 25.007 38.542 1.00 0.00 H new ATOM 179 N SER A 12 21.431 22.645 40.770 1.00 0.00 N ATOM 180 CA SER A 12 20.825 22.280 42.044 1.00 0.00 C ATOM 181 C SER A 12 21.887 21.751 42.998 1.00 0.00 C ATOM 182 O SER A 12 22.644 20.842 42.655 1.00 0.00 O ATOM 183 CB SER A 12 19.751 21.220 41.821 1.00 0.00 C ATOM 184 OG SER A 12 18.580 21.805 41.274 1.00 0.00 O ATOM 0 H SER A 12 21.752 21.852 40.215 1.00 0.00 H new ATOM 0 HA SER A 12 20.367 23.166 42.484 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.127 20.449 41.149 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.513 20.731 42.766 1.00 0.00 H new ATOM 0 HG SER A 12 17.794 21.296 41.563 1.00 0.00 H new ATOM 190 N ASN A 13 21.943 22.324 44.195 1.00 0.00 N ATOM 191 CA ASN A 13 22.921 21.907 45.199 1.00 0.00 C ATOM 192 C ASN A 13 22.216 21.451 46.474 1.00 0.00 C ATOM 193 O ASN A 13 21.932 20.265 46.640 1.00 0.00 O ATOM 194 CB ASN A 13 23.907 23.043 45.512 1.00 0.00 C ATOM 195 CG ASN A 13 23.262 24.414 45.318 1.00 0.00 C ATOM 196 OD1 ASN A 13 22.790 25.030 46.274 1.00 0.00 O ATOM 197 ND2 ASN A 13 23.242 24.888 44.078 1.00 0.00 N ATOM 0 H ASN A 13 21.325 23.078 44.496 1.00 0.00 H new ATOM 0 HA ASN A 13 23.486 21.068 44.792 1.00 0.00 H new ATOM 0 HB2 ASN A 13 24.259 22.948 46.539 1.00 0.00 H new ATOM 0 HB3 ASN A 13 24.781 22.956 44.866 1.00 0.00 H new ATOM 0 HD21 ASN A 13 22.823 25.798 43.887 1.00 0.00 H new ATOM 0 HD22 ASN A 13 23.645 24.342 43.317 1.00 0.00 H new ATOM 204 N GLU A 14 21.937 22.391 47.374 1.00 0.00 N ATOM 205 CA GLU A 14 21.272 22.074 48.627 1.00 0.00 C ATOM 206 C GLU A 14 19.927 22.792 48.704 1.00 0.00 C ATOM 207 O GLU A 14 18.876 22.156 48.781 1.00 0.00 O ATOM 208 CB GLU A 14 22.173 22.488 49.792 1.00 0.00 C ATOM 209 CG GLU A 14 21.448 22.400 51.130 1.00 0.00 C ATOM 210 CD GLU A 14 21.198 20.945 51.502 1.00 0.00 C ATOM 211 OE1 GLU A 14 21.929 20.067 50.996 1.00 0.00 O ATOM 212 OE2 GLU A 14 20.271 20.684 52.298 1.00 0.00 O ATOM 0 H GLU A 14 22.163 23.378 47.255 1.00 0.00 H new ATOM 0 HA GLU A 14 21.087 21.001 48.683 1.00 0.00 H new ATOM 0 HB2 GLU A 14 23.055 21.848 49.814 1.00 0.00 H new ATOM 0 HB3 GLU A 14 22.523 23.508 49.635 1.00 0.00 H new ATOM 0 HG2 GLU A 14 22.042 22.884 51.905 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.500 22.936 51.074 1.00 0.00 H new ATOM 219 N LYS A 15 19.970 24.120 48.685 1.00 0.00 N ATOM 220 CA LYS A 15 18.754 24.928 48.756 1.00 0.00 C ATOM 221 C LYS A 15 18.330 25.389 47.366 1.00 0.00 C ATOM 222 O LYS A 15 17.166 25.726 47.146 1.00 0.00 O ATOM 223 CB LYS A 15 18.975 26.139 49.662 1.00 0.00 C ATOM 224 CG LYS A 15 20.325 26.802 49.395 1.00 0.00 C ATOM 225 CD LYS A 15 20.458 28.119 50.154 1.00 0.00 C ATOM 226 CE LYS A 15 20.183 27.932 51.643 1.00 0.00 C ATOM 227 NZ LYS A 15 21.158 28.694 52.473 1.00 0.00 N ATOM 0 H LYS A 15 20.832 24.661 48.621 1.00 0.00 H new ATOM 0 HA LYS A 15 17.959 24.311 49.174 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.176 26.863 49.504 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.922 25.828 50.705 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.128 26.127 49.691 1.00 0.00 H new ATOM 0 HG3 LYS A 15 20.438 26.983 48.326 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.462 28.521 50.015 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.762 28.850 49.743 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.170 28.263 51.872 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.237 26.873 51.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.946 28.547 53.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 22.122 28.360 52.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.088 29.707 52.248 1.00 0.00 H new ATOM 241 N HIS A 16 19.273 25.403 46.429 1.00 0.00 N ATOM 242 CA HIS A 16 18.983 25.824 45.062 1.00 0.00 C ATOM 243 C HIS A 16 18.185 24.748 44.336 1.00 0.00 C ATOM 244 O HIS A 16 18.498 23.561 44.427 1.00 0.00 O ATOM 245 CB HIS A 16 20.283 26.102 44.314 1.00 0.00 C ATOM 246 CG HIS A 16 20.675 27.546 44.349 1.00 0.00 C ATOM 247 ND1 HIS A 16 21.272 28.138 45.432 1.00 0.00 N ATOM 248 CD2 HIS A 16 20.559 28.538 43.428 1.00 0.00 C ATOM 249 CE1 HIS A 16 21.511 29.409 45.202 1.00 0.00 C ATOM 250 NE2 HIS A 16 21.086 29.691 43.981 1.00 0.00 N ATOM 0 H HIS A 16 20.242 25.129 46.590 1.00 0.00 H new ATOM 0 HA HIS A 16 18.390 26.738 45.096 1.00 0.00 H new ATOM 0 HB2 HIS A 16 21.083 25.503 44.749 1.00 0.00 H new ATOM 0 HB3 HIS A 16 20.175 25.785 43.277 1.00 0.00 H new ATOM 0 HD2 HIS A 16 20.132 28.443 42.441 1.00 0.00 H new ATOM 0 HE1 HIS A 16 21.973 30.102 45.889 1.00 0.00 H new ATOM 0 HE2 HIS A 16 21.138 30.602 43.526 1.00 0.00 H new ATOM 258 N LEU A 17 17.150 25.171 43.617 1.00 0.00 N ATOM 259 CA LEU A 17 16.302 24.245 42.873 1.00 0.00 C ATOM 260 C LEU A 17 16.066 24.765 41.461 1.00 0.00 C ATOM 261 O LEU A 17 15.228 25.640 41.244 1.00 0.00 O ATOM 262 CB LEU A 17 14.967 24.067 43.595 1.00 0.00 C ATOM 263 CG LEU A 17 14.521 22.607 43.600 1.00 0.00 C ATOM 264 CD1 LEU A 17 14.186 22.142 42.186 1.00 0.00 C ATOM 265 CD2 LEU A 17 15.599 21.718 44.214 1.00 0.00 C ATOM 0 H LEU A 17 16.878 26.150 43.534 1.00 0.00 H new ATOM 0 HA LEU A 17 16.805 23.280 42.811 1.00 0.00 H new ATOM 0 HB2 LEU A 17 15.057 24.424 44.621 1.00 0.00 H new ATOM 0 HB3 LEU A 17 14.206 24.679 43.110 1.00 0.00 H new ATOM 0 HG LEU A 17 13.621 22.527 44.210 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.870 21.099 42.211 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.380 22.755 41.783 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.068 22.239 41.553 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.262 20.681 44.209 1.00 0.00 H new ATOM 0 HD22 LEU A 17 16.517 21.805 43.632 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.789 22.032 45.240 1.00 0.00 H new ATOM 277 N ALA A 18 16.811 24.222 40.502 1.00 0.00 N ATOM 278 CA ALA A 18 16.684 24.632 39.108 1.00 0.00 C ATOM 279 C ALA A 18 15.777 23.670 38.353 1.00 0.00 C ATOM 280 O ALA A 18 15.768 22.468 38.623 1.00 0.00 O ATOM 281 CB ALA A 18 18.060 24.673 38.449 1.00 0.00 C ATOM 0 H ALA A 18 17.509 23.497 40.666 1.00 0.00 H new ATOM 0 HA ALA A 18 16.242 25.628 39.076 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.956 24.980 37.408 1.00 0.00 H new ATOM 0 HB2 ALA A 18 18.695 25.386 38.976 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.513 23.683 38.492 1.00 0.00 H new ATOM 287 N VAL A 19 15.012 24.204 37.407 1.00 0.00 N ATOM 288 CA VAL A 19 14.096 23.392 36.612 1.00 0.00 C ATOM 289 C VAL A 19 14.110 23.839 35.157 1.00 0.00 C ATOM 290 O VAL A 19 14.046 25.030 34.862 1.00 0.00 O ATOM 291 CB VAL A 19 12.685 23.513 37.167 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.570 22.795 38.508 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.302 24.982 37.308 1.00 0.00 C ATOM 0 H VAL A 19 15.008 25.196 37.171 1.00 0.00 H new ATOM 0 HA VAL A 19 14.421 22.353 36.664 1.00 0.00 H new ATOM 0 HB VAL A 19 11.994 23.038 36.470 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.553 22.894 38.888 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.808 21.739 38.377 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.267 23.238 39.219 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.290 25.058 37.706 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.997 25.476 37.987 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.345 25.464 36.332 1.00 0.00 H new ATOM 303 N LEU A 20 14.187 22.875 34.249 1.00 0.00 N ATOM 304 CA LEU A 20 14.206 23.169 32.821 1.00 0.00 C ATOM 305 C LEU A 20 12.789 23.361 32.299 1.00 0.00 C ATOM 306 O LEU A 20 12.313 22.591 31.465 1.00 0.00 O ATOM 307 CB LEU A 20 14.893 22.036 32.065 1.00 0.00 C ATOM 308 CG LEU A 20 15.690 22.566 30.876 1.00 0.00 C ATOM 309 CD1 LEU A 20 16.511 21.449 30.239 1.00 0.00 C ATOM 310 CD2 LEU A 20 14.758 23.198 29.846 1.00 0.00 C ATOM 0 H LEU A 20 14.237 21.882 34.476 1.00 0.00 H new ATOM 0 HA LEU A 20 14.763 24.092 32.662 1.00 0.00 H new ATOM 0 HB2 LEU A 20 15.558 21.496 32.740 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.146 21.323 31.716 1.00 0.00 H new ATOM 0 HG LEU A 20 16.375 23.333 31.237 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.072 21.847 29.393 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.204 21.042 30.975 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.844 20.659 29.893 1.00 0.00 H new ATOM 0 HD21 LEU A 20 15.344 23.570 29.005 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.048 22.451 29.491 1.00 0.00 H new ATOM 0 HD23 LEU A 20 14.216 24.025 30.305 1.00 0.00 H new ATOM 322 N VAL A 21 12.117 24.396 32.795 1.00 0.00 N ATOM 323 CA VAL A 21 10.751 24.691 32.379 1.00 0.00 C ATOM 324 C VAL A 21 10.743 25.284 30.976 1.00 0.00 C ATOM 325 O VAL A 21 10.771 26.503 30.807 1.00 0.00 O ATOM 326 CB VAL A 21 10.105 25.669 33.356 1.00 0.00 C ATOM 327 CG1 VAL A 21 8.612 25.799 33.071 1.00 0.00 C ATOM 328 CG2 VAL A 21 10.340 25.224 34.796 1.00 0.00 C ATOM 0 H VAL A 21 12.497 25.044 33.485 1.00 0.00 H new ATOM 0 HA VAL A 21 10.181 23.762 32.374 1.00 0.00 H new ATOM 0 HB VAL A 21 10.568 26.647 33.221 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.167 26.500 33.777 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.466 26.165 32.055 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.135 24.825 33.178 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.872 25.934 35.477 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.905 24.236 34.947 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.411 25.183 34.994 1.00 0.00 H new ATOM 338 N LYS A 22 10.704 24.416 29.971 1.00 0.00 N ATOM 339 CA LYS A 22 10.693 24.856 28.580 1.00 0.00 C ATOM 340 C LYS A 22 10.562 23.659 27.645 1.00 0.00 C ATOM 341 O LYS A 22 11.402 22.759 27.650 1.00 0.00 O ATOM 342 CB LYS A 22 11.975 25.623 28.269 1.00 0.00 C ATOM 343 CG LYS A 22 11.692 26.844 27.399 1.00 0.00 C ATOM 344 CD LYS A 22 12.985 27.454 26.864 1.00 0.00 C ATOM 345 CE LYS A 22 12.764 28.120 25.509 1.00 0.00 C ATOM 346 NZ LYS A 22 11.770 29.226 25.606 1.00 0.00 N ATOM 0 H LYS A 22 10.679 23.404 30.093 1.00 0.00 H new ATOM 0 HA LYS A 22 9.837 25.513 28.427 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.448 25.938 29.199 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.680 24.966 27.760 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.050 26.559 26.566 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.149 27.589 27.980 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.365 28.188 27.575 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.745 26.678 26.771 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.710 28.510 25.134 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.418 27.379 24.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.691 29.703 24.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.844 28.838 25.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.081 29.910 26.325 1.00 0.00 H new ATOM 360 N TYR A 23 9.502 23.657 26.843 1.00 0.00 N ATOM 361 CA TYR A 23 9.255 22.573 25.899 1.00 0.00 C ATOM 362 C TYR A 23 8.957 23.135 24.516 1.00 0.00 C ATOM 363 O TYR A 23 8.232 22.526 23.729 1.00 0.00 O ATOM 364 CB TYR A 23 8.082 21.721 26.376 1.00 0.00 C ATOM 365 CG TYR A 23 6.874 22.544 26.747 1.00 0.00 C ATOM 366 CD1 TYR A 23 5.964 22.919 25.774 1.00 0.00 C ATOM 367 CD2 TYR A 23 6.673 22.926 28.063 1.00 0.00 C ATOM 368 CE1 TYR A 23 4.854 23.674 26.116 1.00 0.00 C ATOM 369 CE2 TYR A 23 5.563 23.681 28.403 1.00 0.00 C ATOM 370 CZ TYR A 23 4.659 24.051 27.429 1.00 0.00 C ATOM 371 OH TYR A 23 3.557 24.801 27.768 1.00 0.00 O ATOM 0 H TYR A 23 8.799 24.396 26.828 1.00 0.00 H new ATOM 0 HA TYR A 23 10.148 21.951 25.841 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.808 21.016 25.591 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.394 21.132 27.239 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.119 22.623 24.747 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.382 22.635 28.824 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.143 23.967 25.357 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.405 23.980 29.429 1.00 0.00 H new ATOM 0 HH TYR A 23 3.568 24.981 28.731 1.00 0.00 H new ATOM 381 N GLU A 24 9.520 24.303 24.225 1.00 0.00 N ATOM 382 CA GLU A 24 9.314 24.953 22.935 1.00 0.00 C ATOM 383 C GLU A 24 7.826 25.101 22.649 1.00 0.00 C ATOM 384 O GLU A 24 6.986 24.745 23.476 1.00 0.00 O ATOM 385 CB GLU A 24 9.979 24.137 21.832 1.00 0.00 C ATOM 386 CG GLU A 24 10.875 25.011 20.960 1.00 0.00 C ATOM 387 CD GLU A 24 10.235 25.225 19.594 1.00 0.00 C ATOM 388 OE1 GLU A 24 10.227 24.274 18.785 1.00 0.00 O ATOM 389 OE2 GLU A 24 9.743 26.344 19.336 1.00 0.00 O ATOM 0 H GLU A 24 10.123 24.820 24.865 1.00 0.00 H new ATOM 0 HA GLU A 24 9.763 25.946 22.966 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.570 23.335 22.275 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.215 23.666 21.214 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.041 25.972 21.446 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.851 24.540 20.842 1.00 0.00 H new ATOM 396 N GLY A 25 7.504 25.628 21.472 1.00 0.00 N ATOM 397 CA GLY A 25 6.115 25.825 21.075 1.00 0.00 C ATOM 398 C GLY A 25 5.525 27.047 21.767 1.00 0.00 C ATOM 399 O GLY A 25 5.199 28.042 21.119 1.00 0.00 O ATOM 0 H GLY A 25 8.187 25.927 20.776 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.055 25.949 19.994 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.530 24.940 21.328 1.00 0.00 H new ATOM 403 N ASP A 26 5.394 26.969 23.087 1.00 0.00 N ATOM 404 CA ASP A 26 4.844 28.071 23.871 1.00 0.00 C ATOM 405 C ASP A 26 5.936 29.079 24.205 1.00 0.00 C ATOM 406 O ASP A 26 7.097 28.896 23.836 1.00 0.00 O ATOM 407 CB ASP A 26 4.221 27.535 25.157 1.00 0.00 C ATOM 408 CG ASP A 26 2.991 28.352 25.529 1.00 0.00 C ATOM 409 OD1 ASP A 26 3.123 29.581 25.706 1.00 0.00 O ATOM 410 OD2 ASP A 26 1.896 27.761 25.642 1.00 0.00 O ATOM 0 H ASP A 26 5.661 26.153 23.638 1.00 0.00 H new ATOM 0 HA ASP A 26 4.075 28.570 23.282 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.945 26.489 25.027 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.950 27.574 25.966 1.00 0.00 H new ATOM 415 N THR A 27 5.559 30.143 24.907 1.00 0.00 N ATOM 416 CA THR A 27 6.508 31.182 25.294 1.00 0.00 C ATOM 417 C THR A 27 6.648 31.231 26.811 1.00 0.00 C ATOM 418 O THR A 27 5.894 30.580 27.534 1.00 0.00 O ATOM 419 CB THR A 27 6.043 32.537 24.766 1.00 0.00 C ATOM 420 OG1 THR A 27 4.713 32.440 24.280 1.00 0.00 O ATOM 421 CG2 THR A 27 6.969 33.035 23.659 1.00 0.00 C ATOM 0 H THR A 27 4.602 30.309 25.220 1.00 0.00 H new ATOM 0 HA THR A 27 7.481 30.948 24.861 1.00 0.00 H new ATOM 0 HB THR A 27 6.073 33.253 25.587 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.423 33.314 23.945 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.618 34.002 23.298 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.981 33.139 24.051 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.970 32.320 22.837 1.00 0.00 H new ATOM 429 N MET A 28 7.620 32.002 27.288 1.00 0.00 N ATOM 430 CA MET A 28 7.865 32.132 28.722 1.00 0.00 C ATOM 431 C MET A 28 7.563 33.546 29.194 1.00 0.00 C ATOM 432 O MET A 28 8.082 34.519 28.647 1.00 0.00 O ATOM 433 CB MET A 28 9.314 31.792 29.030 1.00 0.00 C ATOM 434 CG MET A 28 9.528 30.282 29.089 1.00 0.00 C ATOM 435 SD MET A 28 8.739 29.535 30.525 1.00 0.00 S ATOM 436 CE MET A 28 7.936 28.112 29.772 1.00 0.00 C ATOM 0 H MET A 28 8.252 32.547 26.702 1.00 0.00 H new ATOM 0 HA MET A 28 7.207 31.440 29.248 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.961 32.224 28.267 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.601 32.240 29.982 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.133 29.826 28.182 1.00 0.00 H new ATOM 0 HG3 MET A 28 10.597 30.069 29.113 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.375 27.567 30.531 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.256 28.450 28.990 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.691 27.456 29.338 1.00 0.00 H new ATOM 446 N ALA A 29 6.716 33.653 30.210 1.00 0.00 N ATOM 447 CA ALA A 29 6.334 34.947 30.761 1.00 0.00 C ATOM 448 C ALA A 29 6.813 35.068 32.200 1.00 0.00 C ATOM 449 O ALA A 29 7.609 35.947 32.532 1.00 0.00 O ATOM 450 CB ALA A 29 4.818 35.094 30.706 1.00 0.00 C ATOM 0 H ALA A 29 6.279 32.855 30.671 1.00 0.00 H new ATOM 0 HA ALA A 29 6.798 35.737 30.171 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.531 36.062 31.118 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.483 35.027 29.671 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.354 34.299 31.290 1.00 0.00 H new ATOM 456 N GLU A 30 6.324 34.173 33.047 1.00 0.00 N ATOM 457 CA GLU A 30 6.692 34.157 34.456 1.00 0.00 C ATOM 458 C GLU A 30 6.436 32.774 35.033 1.00 0.00 C ATOM 459 O GLU A 30 5.691 31.983 34.453 1.00 0.00 O ATOM 460 CB GLU A 30 5.886 35.200 35.221 1.00 0.00 C ATOM 461 CG GLU A 30 6.802 36.152 35.985 1.00 0.00 C ATOM 462 CD GLU A 30 7.239 37.300 35.085 1.00 0.00 C ATOM 463 OE1 GLU A 30 6.555 37.556 34.072 1.00 0.00 O ATOM 464 OE2 GLU A 30 8.266 37.941 35.393 1.00 0.00 O ATOM 0 H GLU A 30 5.665 33.442 32.779 1.00 0.00 H new ATOM 0 HA GLU A 30 7.751 34.396 34.552 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.266 35.767 34.526 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.211 34.703 35.918 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.283 36.544 36.860 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.677 35.613 36.349 1.00 0.00 H new ATOM 471 N VAL A 31 7.053 32.474 36.170 1.00 0.00 N ATOM 472 CA VAL A 31 6.873 31.171 36.794 1.00 0.00 C ATOM 473 C VAL A 31 6.683 31.297 38.296 1.00 0.00 C ATOM 474 O VAL A 31 7.300 32.138 38.951 1.00 0.00 O ATOM 475 CB VAL A 31 8.067 30.270 36.489 1.00 0.00 C ATOM 476 CG1 VAL A 31 7.764 28.828 36.887 1.00 0.00 C ATOM 477 CG2 VAL A 31 8.436 30.348 35.010 1.00 0.00 C ATOM 0 H VAL A 31 7.675 33.107 36.673 1.00 0.00 H new ATOM 0 HA VAL A 31 5.971 30.723 36.378 1.00 0.00 H new ATOM 0 HB VAL A 31 8.918 30.619 37.074 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.626 28.200 36.663 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.550 28.783 37.955 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.899 28.470 36.328 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.289 29.699 34.813 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.588 30.026 34.406 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.695 31.375 34.753 1.00 0.00 H new ATOM 487 N GLU A 32 5.814 30.446 38.827 1.00 0.00 N ATOM 488 CA GLU A 32 5.503 30.421 40.234 1.00 0.00 C ATOM 489 C GLU A 32 5.434 28.971 40.699 1.00 0.00 C ATOM 490 O GLU A 32 4.669 28.176 40.154 1.00 0.00 O ATOM 491 CB GLU A 32 4.167 31.116 40.445 1.00 0.00 C ATOM 492 CG GLU A 32 3.733 31.023 41.896 1.00 0.00 C ATOM 493 CD GLU A 32 3.908 32.364 42.601 1.00 0.00 C ATOM 494 OE1 GLU A 32 3.981 33.400 41.908 1.00 0.00 O ATOM 495 OE2 GLU A 32 3.969 32.375 43.848 1.00 0.00 O ATOM 0 H GLU A 32 5.305 29.751 38.280 1.00 0.00 H new ATOM 0 HA GLU A 32 6.270 30.938 40.811 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.246 32.163 40.151 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.411 30.662 39.805 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.689 30.713 41.949 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.319 30.259 42.407 1.00 0.00 H new ATOM 502 N LEU A 33 6.245 28.622 41.691 1.00 0.00 N ATOM 503 CA LEU A 33 6.272 27.254 42.196 1.00 0.00 C ATOM 504 C LEU A 33 5.689 27.166 43.601 1.00 0.00 C ATOM 505 O LEU A 33 5.283 28.169 44.188 1.00 0.00 O ATOM 506 CB LEU A 33 7.709 26.718 42.178 1.00 0.00 C ATOM 507 CG LEU A 33 8.563 27.303 43.304 1.00 0.00 C ATOM 508 CD1 LEU A 33 8.341 26.531 44.601 1.00 0.00 C ATOM 509 CD2 LEU A 33 10.040 27.279 42.923 1.00 0.00 C ATOM 0 H LEU A 33 6.888 29.261 42.159 1.00 0.00 H new ATOM 0 HA LEU A 33 5.652 26.640 41.543 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.690 25.632 42.267 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.169 26.951 41.218 1.00 0.00 H new ATOM 0 HG LEU A 33 8.260 28.339 43.459 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.957 26.962 45.391 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.291 26.592 44.886 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.617 25.487 44.455 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.632 27.699 43.736 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.352 26.251 42.740 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.192 27.870 42.020 1.00 0.00 H new ATOM 521 N ARG A 34 5.668 25.948 44.129 1.00 0.00 N ATOM 522 CA ARG A 34 5.157 25.682 45.467 1.00 0.00 C ATOM 523 C ARG A 34 5.913 24.503 46.065 1.00 0.00 C ATOM 524 O ARG A 34 6.676 23.833 45.368 1.00 0.00 O ATOM 525 CB ARG A 34 3.662 25.372 45.406 1.00 0.00 C ATOM 526 CG ARG A 34 3.014 25.493 46.783 1.00 0.00 C ATOM 527 CD ARG A 34 1.524 25.808 46.670 1.00 0.00 C ATOM 528 NE ARG A 34 0.816 25.341 47.858 1.00 0.00 N ATOM 529 CZ ARG A 34 -0.446 24.927 47.802 1.00 0.00 C ATOM 530 NH1 ARG A 34 -0.743 23.772 47.222 1.00 0.00 N ATOM 531 NH2 ARG A 34 -1.412 25.670 48.325 1.00 0.00 N ATOM 0 H ARG A 34 6.005 25.118 43.641 1.00 0.00 H new ATOM 0 HA ARG A 34 5.302 26.562 46.094 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.175 26.056 44.711 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.513 24.364 45.019 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.150 24.563 47.334 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.511 26.277 47.354 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.380 26.882 46.551 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.111 25.331 45.781 1.00 0.00 H new ATOM 0 HE ARG A 34 1.302 25.332 48.755 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.002 23.199 46.818 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.712 23.457 47.180 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.187 26.560 48.770 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.380 25.352 48.282 1.00 0.00 H new ATOM 545 N GLU A 35 5.704 24.246 47.349 1.00 0.00 N ATOM 546 CA GLU A 35 6.375 23.141 48.017 1.00 0.00 C ATOM 547 C GLU A 35 5.344 22.168 48.559 1.00 0.00 C ATOM 548 O GLU A 35 5.029 21.165 47.918 1.00 0.00 O ATOM 549 CB GLU A 35 7.255 23.665 49.148 1.00 0.00 C ATOM 550 CG GLU A 35 8.509 24.341 48.602 1.00 0.00 C ATOM 551 CD GLU A 35 8.707 25.699 49.262 1.00 0.00 C ATOM 552 OE1 GLU A 35 8.130 25.925 50.347 1.00 0.00 O ATOM 553 OE2 GLU A 35 9.440 26.536 48.694 1.00 0.00 O ATOM 0 H GLU A 35 5.078 24.786 47.946 1.00 0.00 H new ATOM 0 HA GLU A 35 7.009 22.622 47.298 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.690 24.374 49.753 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.538 22.841 49.803 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.379 23.710 48.784 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.424 24.463 47.522 1.00 0.00 H new ATOM 560 N HIS A 36 4.808 22.477 49.734 1.00 0.00 N ATOM 561 CA HIS A 36 3.798 21.634 50.357 1.00 0.00 C ATOM 562 C HIS A 36 3.394 22.205 51.710 1.00 0.00 C ATOM 563 O HIS A 36 2.220 22.480 51.953 1.00 0.00 O ATOM 564 CB HIS A 36 4.331 20.214 50.527 1.00 0.00 C ATOM 565 CG HIS A 36 3.331 19.290 51.149 1.00 0.00 C ATOM 566 ND1 HIS A 36 2.024 19.637 51.375 1.00 0.00 N ATOM 567 CD2 HIS A 36 3.437 18.013 51.599 1.00 0.00 C ATOM 568 CE1 HIS A 36 1.362 18.646 51.926 1.00 0.00 C ATOM 569 NE2 HIS A 36 2.197 17.631 52.079 1.00 0.00 N ATOM 0 H HIS A 36 5.057 23.306 50.274 1.00 0.00 H new ATOM 0 HA HIS A 36 2.920 21.607 49.712 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.625 19.822 49.553 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.229 20.239 51.144 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.329 17.405 51.585 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.319 18.657 52.205 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.966 16.723 52.482 1.00 0.00 H new ATOM 577 N GLY A 37 4.376 22.380 52.589 1.00 0.00 N ATOM 578 CA GLY A 37 4.125 22.920 53.921 1.00 0.00 C ATOM 579 C GLY A 37 3.659 24.367 53.836 1.00 0.00 C ATOM 580 O GLY A 37 2.931 24.847 54.705 1.00 0.00 O ATOM 0 H GLY A 37 5.353 22.156 52.403 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.369 22.318 54.426 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.033 22.860 54.520 1.00 0.00 H new ATOM 584 N SER A 38 4.083 25.060 52.784 1.00 0.00 N ATOM 585 CA SER A 38 3.708 26.456 52.583 1.00 0.00 C ATOM 586 C SER A 38 2.197 26.584 52.443 1.00 0.00 C ATOM 587 O SER A 38 1.495 25.589 52.261 1.00 0.00 O ATOM 588 CB SER A 38 4.395 27.006 51.336 1.00 0.00 C ATOM 589 OG SER A 38 4.844 28.333 51.559 1.00 0.00 O ATOM 0 H SER A 38 4.687 24.678 52.057 1.00 0.00 H new ATOM 0 HA SER A 38 4.029 27.032 53.451 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.239 26.370 51.069 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.703 26.987 50.494 1.00 0.00 H new ATOM 0 HG SER A 38 5.284 28.670 50.750 1.00 0.00 H new ATOM 595 N ASP A 39 1.700 27.813 52.528 1.00 0.00 N ATOM 596 CA ASP A 39 0.269 28.071 52.411 1.00 0.00 C ATOM 597 C ASP A 39 -0.008 29.027 51.257 1.00 0.00 C ATOM 598 O ASP A 39 -1.016 29.733 51.253 1.00 0.00 O ATOM 599 CB ASP A 39 -0.262 28.663 53.713 1.00 0.00 C ATOM 600 CG ASP A 39 -0.864 27.567 54.582 1.00 0.00 C ATOM 601 OD1 ASP A 39 -1.599 26.715 54.041 1.00 0.00 O ATOM 602 OD2 ASP A 39 -0.599 27.562 55.803 1.00 0.00 O ATOM 0 H ASP A 39 2.267 28.647 52.678 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.239 27.127 52.212 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.545 29.161 54.250 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.015 29.420 53.496 1.00 0.00 H new ATOM 607 N GLU A 40 0.891 29.044 50.278 1.00 0.00 N ATOM 608 CA GLU A 40 0.743 29.914 49.116 1.00 0.00 C ATOM 609 C GLU A 40 1.908 29.715 48.156 1.00 0.00 C ATOM 610 O GLU A 40 3.023 29.400 48.574 1.00 0.00 O ATOM 611 CB GLU A 40 0.676 31.372 49.562 1.00 0.00 C ATOM 612 CG GLU A 40 1.999 31.828 50.172 1.00 0.00 C ATOM 613 CD GLU A 40 1.943 33.315 50.502 1.00 0.00 C ATOM 614 OE1 GLU A 40 1.365 34.081 49.702 1.00 0.00 O ATOM 615 OE2 GLU A 40 2.478 33.710 51.559 1.00 0.00 O ATOM 0 H GLU A 40 1.730 28.465 50.266 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.182 29.657 48.601 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.430 32.004 48.709 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.125 31.495 50.292 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.207 31.255 51.076 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.815 31.633 49.476 1.00 0.00 H new ATOM 622 N TRP A 41 1.645 29.899 46.866 1.00 0.00 N ATOM 623 CA TRP A 41 2.674 29.739 45.843 1.00 0.00 C ATOM 624 C TRP A 41 3.766 30.787 46.016 1.00 0.00 C ATOM 625 O TRP A 41 3.557 31.814 46.662 1.00 0.00 O ATOM 626 CB TRP A 41 2.052 29.866 44.456 1.00 0.00 C ATOM 627 CG TRP A 41 0.941 28.889 44.228 1.00 0.00 C ATOM 628 CD1 TRP A 41 -0.346 28.990 44.677 1.00 0.00 C ATOM 629 CD2 TRP A 41 1.018 27.653 43.488 1.00 0.00 C ATOM 630 NE1 TRP A 41 -1.047 27.895 44.254 1.00 0.00 N ATOM 631 CE2 TRP A 41 -0.251 27.062 43.529 1.00 0.00 C ATOM 632 CE3 TRP A 41 2.035 26.994 42.796 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.520 25.853 42.909 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.773 25.783 42.173 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.506 25.217 42.228 1.00 0.00 C ATOM 0 H TRP A 41 0.728 30.159 46.504 1.00 0.00 H new ATOM 0 HA TRP A 41 3.119 28.750 45.950 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.672 30.879 44.324 1.00 0.00 H new ATOM 0 HB3 TRP A 41 2.824 29.715 43.701 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.744 29.801 45.269 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.033 27.725 44.454 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.024 27.426 42.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.507 25.416 42.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.563 25.275 41.639 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.319 24.274 41.736 1.00 0.00 H new ATOM 646 N VAL A 42 4.932 30.524 45.432 1.00 0.00 N ATOM 647 CA VAL A 42 6.059 31.447 45.517 1.00 0.00 C ATOM 648 C VAL A 42 6.635 31.702 44.130 1.00 0.00 C ATOM 649 O VAL A 42 7.248 30.820 43.529 1.00 0.00 O ATOM 650 CB VAL A 42 7.135 30.875 46.436 1.00 0.00 C ATOM 651 CG1 VAL A 42 6.619 30.782 47.870 1.00 0.00 C ATOM 652 CG2 VAL A 42 7.589 29.505 45.943 1.00 0.00 C ATOM 0 H VAL A 42 5.121 29.678 44.894 1.00 0.00 H new ATOM 0 HA VAL A 42 5.709 32.393 45.930 1.00 0.00 H new ATOM 0 HB VAL A 42 7.993 31.548 46.420 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.399 30.372 48.512 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.344 31.776 48.223 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.745 30.131 47.901 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.356 29.114 46.611 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.739 28.823 45.928 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.997 29.597 44.937 1.00 0.00 H new ATOM 662 N ALA A 43 6.429 32.915 43.623 1.00 0.00 N ATOM 663 CA ALA A 43 6.920 33.292 42.300 1.00 0.00 C ATOM 664 C ALA A 43 8.389 32.920 42.144 1.00 0.00 C ATOM 665 O ALA A 43 9.232 33.327 42.944 1.00 0.00 O ATOM 666 CB ALA A 43 6.740 34.792 42.085 1.00 0.00 C ATOM 0 H ALA A 43 5.924 33.656 44.110 1.00 0.00 H new ATOM 0 HA ALA A 43 6.343 32.749 41.551 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.109 35.065 41.096 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.683 35.046 42.161 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.300 35.338 42.844 1.00 0.00 H new ATOM 672 N MET A 44 8.689 32.148 41.105 1.00 0.00 N ATOM 673 CA MET A 44 10.058 31.722 40.836 1.00 0.00 C ATOM 674 C MET A 44 10.965 32.936 40.690 1.00 0.00 C ATOM 675 O MET A 44 10.551 34.065 40.957 1.00 0.00 O ATOM 676 CB MET A 44 10.103 30.884 39.561 1.00 0.00 C ATOM 677 CG MET A 44 10.359 29.412 39.873 1.00 0.00 C ATOM 678 SD MET A 44 12.105 29.057 40.128 1.00 0.00 S ATOM 679 CE MET A 44 12.142 27.288 39.797 1.00 0.00 C ATOM 0 H MET A 44 8.002 31.804 40.434 1.00 0.00 H new ATOM 0 HA MET A 44 10.409 31.117 41.672 1.00 0.00 H new ATOM 0 HB2 MET A 44 9.160 30.985 39.023 1.00 0.00 H new ATOM 0 HB3 MET A 44 10.887 31.260 38.904 1.00 0.00 H new ATOM 0 HG2 MET A 44 9.800 29.130 40.765 1.00 0.00 H new ATOM 0 HG3 MET A 44 9.982 28.799 39.054 1.00 0.00 H new ATOM 0 HE1 MET A 44 13.119 26.888 40.068 1.00 0.00 H new ATOM 0 HE2 MET A 44 11.371 26.791 40.386 1.00 0.00 H new ATOM 0 HE3 MET A 44 11.959 27.112 38.737 1.00 0.00 H new ATOM 689 N THR A 45 12.202 32.702 40.267 1.00 0.00 N ATOM 690 CA THR A 45 13.165 33.782 40.089 1.00 0.00 C ATOM 691 C THR A 45 14.183 33.420 39.016 1.00 0.00 C ATOM 692 O THR A 45 14.919 32.443 39.150 1.00 0.00 O ATOM 693 CB THR A 45 13.880 34.058 41.407 1.00 0.00 C ATOM 694 OG1 THR A 45 12.930 34.274 42.439 1.00 0.00 O ATOM 695 CG2 THR A 45 14.801 35.267 41.281 1.00 0.00 C ATOM 0 H THR A 45 12.561 31.775 40.041 1.00 0.00 H new ATOM 0 HA THR A 45 12.630 34.677 39.773 1.00 0.00 H new ATOM 0 HB THR A 45 14.488 33.189 41.657 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.397 34.449 43.282 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.300 35.445 42.233 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.547 35.077 40.510 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.214 36.145 41.010 1.00 0.00 H new ATOM 703 N LYS A 46 14.226 34.217 37.953 1.00 0.00 N ATOM 704 CA LYS A 46 15.161 33.983 36.858 1.00 0.00 C ATOM 705 C LYS A 46 16.567 34.389 37.276 1.00 0.00 C ATOM 706 O LYS A 46 17.127 35.355 36.757 1.00 0.00 O ATOM 707 CB LYS A 46 14.733 34.776 35.626 1.00 0.00 C ATOM 708 CG LYS A 46 14.521 36.249 35.964 1.00 0.00 C ATOM 709 CD LYS A 46 14.672 37.130 34.726 1.00 0.00 C ATOM 710 CE LYS A 46 13.639 36.774 33.661 1.00 0.00 C ATOM 711 NZ LYS A 46 13.491 37.870 32.662 1.00 0.00 N ATOM 0 H LYS A 46 13.624 35.031 37.827 1.00 0.00 H new ATOM 0 HA LYS A 46 15.158 32.921 36.613 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.492 34.684 34.849 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.811 34.357 35.222 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.528 36.387 36.392 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.241 36.557 36.722 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.561 38.177 35.007 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.675 37.015 34.315 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.937 35.856 33.155 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.677 36.579 34.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.782 37.598 31.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.183 38.739 33.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.404 38.038 32.193 1.00 0.00 H new ATOM 725 N GLY A 47 17.131 33.645 38.222 1.00 0.00 N ATOM 726 CA GLY A 47 18.473 33.925 38.721 1.00 0.00 C ATOM 727 C GLY A 47 19.509 33.031 38.049 1.00 0.00 C ATOM 728 O GLY A 47 20.700 33.342 38.050 1.00 0.00 O ATOM 0 H GLY A 47 16.679 32.842 38.659 1.00 0.00 H new ATOM 0 HA2 GLY A 47 18.720 34.971 38.541 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.502 33.772 39.800 1.00 0.00 H new ATOM 732 N GLU A 48 19.057 31.917 37.475 1.00 0.00 N ATOM 733 CA GLU A 48 19.958 30.986 36.805 1.00 0.00 C ATOM 734 C GLU A 48 20.342 31.516 35.430 1.00 0.00 C ATOM 735 O GLU A 48 21.511 31.482 35.046 1.00 0.00 O ATOM 736 CB GLU A 48 19.292 29.621 36.669 1.00 0.00 C ATOM 737 CG GLU A 48 20.226 28.617 35.999 1.00 0.00 C ATOM 738 CD GLU A 48 21.524 28.495 36.787 1.00 0.00 C ATOM 739 OE1 GLU A 48 21.468 28.520 38.035 1.00 0.00 O ATOM 740 OE2 GLU A 48 22.595 28.374 36.156 1.00 0.00 O ATOM 0 H GLU A 48 18.076 31.640 37.461 1.00 0.00 H new ATOM 0 HA GLU A 48 20.862 30.883 37.405 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.005 29.254 37.654 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.377 29.716 36.085 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.739 27.644 35.934 1.00 0.00 H new ATOM 0 HG3 GLU A 48 20.441 28.934 34.979 1.00 0.00 H new ATOM 747 N GLY A 49 19.352 32.005 34.691 1.00 0.00 N ATOM 748 CA GLY A 49 19.585 32.544 33.356 1.00 0.00 C ATOM 749 C GLY A 49 18.833 31.733 32.309 1.00 0.00 C ATOM 750 O GLY A 49 17.943 32.249 31.633 1.00 0.00 O ATOM 0 H GLY A 49 18.379 32.039 34.995 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.263 33.585 33.317 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.652 32.532 33.135 1.00 0.00 H new ATOM 754 N GLY A 50 19.195 30.461 32.179 1.00 0.00 N ATOM 755 CA GLY A 50 18.553 29.577 31.213 1.00 0.00 C ATOM 756 C GLY A 50 17.277 28.981 31.793 1.00 0.00 C ATOM 757 O GLY A 50 16.330 28.687 31.064 1.00 0.00 O ATOM 0 H GLY A 50 19.930 30.019 32.731 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.321 30.131 30.304 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.239 28.778 30.932 1.00 0.00 H new ATOM 761 N VAL A 51 17.257 28.807 33.111 1.00 0.00 N ATOM 762 CA VAL A 51 16.095 28.246 33.793 1.00 0.00 C ATOM 763 C VAL A 51 15.734 29.088 35.007 1.00 0.00 C ATOM 764 O VAL A 51 16.380 30.097 35.291 1.00 0.00 O ATOM 765 CB VAL A 51 16.384 26.817 34.236 1.00 0.00 C ATOM 766 CG1 VAL A 51 16.367 25.870 33.038 1.00 0.00 C ATOM 767 CG2 VAL A 51 17.724 26.744 34.960 1.00 0.00 C ATOM 0 H VAL A 51 18.033 29.047 33.729 1.00 0.00 H new ATOM 0 HA VAL A 51 15.257 28.246 33.097 1.00 0.00 H new ATOM 0 HB VAL A 51 15.602 26.506 34.929 1.00 0.00 H new ATOM 0 HG11 VAL A 51 16.575 24.854 33.374 1.00 0.00 H new ATOM 0 HG12 VAL A 51 15.386 25.901 32.563 1.00 0.00 H new ATOM 0 HG13 VAL A 51 17.127 26.178 32.320 1.00 0.00 H new ATOM 0 HG21 VAL A 51 17.915 25.716 35.270 1.00 0.00 H new ATOM 0 HG22 VAL A 51 18.518 27.075 34.290 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.699 27.389 35.838 1.00 0.00 H new ATOM 777 N TRP A 52 14.695 28.667 35.717 1.00 0.00 N ATOM 778 CA TRP A 52 14.234 29.378 36.904 1.00 0.00 C ATOM 779 C TRP A 52 14.671 28.639 38.162 1.00 0.00 C ATOM 780 O TRP A 52 14.399 27.449 38.319 1.00 0.00 O ATOM 781 CB TRP A 52 12.713 29.502 36.873 1.00 0.00 C ATOM 782 CG TRP A 52 12.182 29.716 35.487 1.00 0.00 C ATOM 783 CD1 TRP A 52 11.143 29.055 34.898 1.00 0.00 C ATOM 784 CD2 TRP A 52 12.681 30.648 34.507 1.00 0.00 C ATOM 785 NE1 TRP A 52 10.973 29.542 33.632 1.00 0.00 N ATOM 786 CE2 TRP A 52 11.890 30.510 33.360 1.00 0.00 C ATOM 787 CE3 TRP A 52 13.713 31.588 34.492 1.00 0.00 C ATOM 788 CZ2 TRP A 52 12.103 31.272 32.223 1.00 0.00 C ATOM 789 CZ3 TRP A 52 13.933 32.354 33.356 1.00 0.00 C ATOM 790 CH2 TRP A 52 13.132 32.197 32.232 1.00 0.00 C ATOM 0 H TRP A 52 14.153 27.833 35.491 1.00 0.00 H new ATOM 0 HA TRP A 52 14.674 30.375 36.913 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.270 28.599 37.293 1.00 0.00 H new ATOM 0 HB3 TRP A 52 12.406 30.333 37.508 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.553 28.276 35.357 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.256 29.223 32.980 1.00 0.00 H new ATOM 0 HE3 TRP A 52 14.339 31.719 35.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.480 31.147 31.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 14.734 33.078 33.346 1.00 0.00 H new ATOM 0 HH2 TRP A 52 13.314 32.803 31.357 1.00 0.00 H new ATOM 801 N THR A 53 15.350 29.350 39.055 1.00 0.00 N ATOM 802 CA THR A 53 15.826 28.758 40.301 1.00 0.00 C ATOM 803 C THR A 53 15.188 29.453 41.497 1.00 0.00 C ATOM 804 O THR A 53 14.685 30.571 41.382 1.00 0.00 O ATOM 805 CB THR A 53 17.346 28.873 40.384 1.00 0.00 C ATOM 806 OG1 THR A 53 17.778 30.064 39.745 1.00 0.00 O ATOM 807 CG2 THR A 53 18.017 27.662 39.742 1.00 0.00 C ATOM 0 H THR A 53 15.583 30.336 38.940 1.00 0.00 H new ATOM 0 HA THR A 53 15.544 27.705 40.317 1.00 0.00 H new ATOM 0 HB THR A 53 17.632 28.907 41.435 1.00 0.00 H new ATOM 0 HG1 THR A 53 18.754 30.131 39.804 1.00 0.00 H new ATOM 0 HG21 THR A 53 19.100 27.766 39.813 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.705 26.756 40.261 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.727 27.598 38.693 1.00 0.00 H new ATOM 815 N PHE A 54 15.211 28.784 42.645 1.00 0.00 N ATOM 816 CA PHE A 54 14.633 29.337 43.867 1.00 0.00 C ATOM 817 C PHE A 54 15.541 29.058 45.058 1.00 0.00 C ATOM 818 O PHE A 54 15.938 27.917 45.294 1.00 0.00 O ATOM 819 CB PHE A 54 13.254 28.729 44.110 1.00 0.00 C ATOM 820 CG PHE A 54 12.419 29.535 45.073 1.00 0.00 C ATOM 821 CD1 PHE A 54 11.748 30.664 44.632 1.00 0.00 C ATOM 822 CD2 PHE A 54 12.320 29.146 46.399 1.00 0.00 C ATOM 823 CE1 PHE A 54 10.980 31.403 45.516 1.00 0.00 C ATOM 824 CE2 PHE A 54 11.552 29.886 47.283 1.00 0.00 C ATOM 825 CZ PHE A 54 10.882 31.014 46.841 1.00 0.00 C ATOM 0 H PHE A 54 15.624 27.858 42.756 1.00 0.00 H new ATOM 0 HA PHE A 54 14.534 30.416 43.750 1.00 0.00 H new ATOM 0 HB2 PHE A 54 12.726 28.647 43.160 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.372 27.717 44.498 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.824 30.968 43.598 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.842 28.265 46.744 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.457 32.283 45.172 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.476 29.583 48.317 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.283 31.591 47.530 1.00 0.00 H new ATOM 835 N ASP A 55 15.866 30.107 45.806 1.00 0.00 N ATOM 836 CA ASP A 55 16.729 29.976 46.976 1.00 0.00 C ATOM 837 C ASP A 55 15.900 30.000 48.254 1.00 0.00 C ATOM 838 O ASP A 55 15.261 31.003 48.573 1.00 0.00 O ATOM 839 CB ASP A 55 17.752 31.108 46.998 1.00 0.00 C ATOM 840 CG ASP A 55 17.048 32.452 47.137 1.00 0.00 C ATOM 841 OD1 ASP A 55 16.008 32.650 46.474 1.00 0.00 O ATOM 842 OD2 ASP A 55 17.538 33.303 47.908 1.00 0.00 O ATOM 0 H ASP A 55 15.545 31.058 45.623 1.00 0.00 H new ATOM 0 HA ASP A 55 17.253 29.022 46.918 1.00 0.00 H new ATOM 0 HB2 ASP A 55 18.445 30.965 47.827 1.00 0.00 H new ATOM 0 HB3 ASP A 55 18.343 31.092 46.082 1.00 0.00 H new ATOM 847 N SER A 56 15.917 28.889 48.983 1.00 0.00 N ATOM 848 CA SER A 56 15.168 28.778 50.231 1.00 0.00 C ATOM 849 C SER A 56 15.553 27.498 50.964 1.00 0.00 C ATOM 850 O SER A 56 16.111 26.576 50.370 1.00 0.00 O ATOM 851 CB SER A 56 13.670 28.783 49.942 1.00 0.00 C ATOM 852 OG SER A 56 13.197 30.112 49.788 1.00 0.00 O ATOM 0 H SER A 56 16.442 28.051 48.731 1.00 0.00 H new ATOM 0 HA SER A 56 15.411 29.632 50.864 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.467 28.211 49.036 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.135 28.293 50.755 1.00 0.00 H new ATOM 0 HG SER A 56 13.944 30.699 49.548 1.00 0.00 H new ATOM 858 N GLU A 57 15.253 27.448 52.259 1.00 0.00 N ATOM 859 CA GLU A 57 15.571 26.279 53.073 1.00 0.00 C ATOM 860 C GLU A 57 14.363 25.859 53.900 1.00 0.00 C ATOM 861 O GLU A 57 14.505 25.250 54.960 1.00 0.00 O ATOM 862 CB GLU A 57 16.747 26.588 53.993 1.00 0.00 C ATOM 863 CG GLU A 57 18.045 26.005 53.443 1.00 0.00 C ATOM 864 CD GLU A 57 19.120 26.000 54.521 1.00 0.00 C ATOM 865 OE1 GLU A 57 18.763 25.982 55.718 1.00 0.00 O ATOM 866 OE2 GLU A 57 20.318 26.014 54.168 1.00 0.00 O ATOM 0 H GLU A 57 14.791 28.202 52.767 1.00 0.00 H new ATOM 0 HA GLU A 57 15.841 25.458 52.409 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.849 27.667 54.107 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.553 26.180 54.985 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.873 24.989 53.086 1.00 0.00 H new ATOM 0 HG3 GLU A 57 18.381 26.591 52.587 1.00 0.00 H new ATOM 873 N GLU A 58 13.172 26.186 53.409 1.00 0.00 N ATOM 874 CA GLU A 58 11.938 25.839 54.104 1.00 0.00 C ATOM 875 C GLU A 58 11.840 24.329 54.286 1.00 0.00 C ATOM 876 O GLU A 58 12.455 23.565 53.541 1.00 0.00 O ATOM 877 CB GLU A 58 10.735 26.349 53.315 1.00 0.00 C ATOM 878 CG GLU A 58 10.852 25.997 51.834 1.00 0.00 C ATOM 879 CD GLU A 58 10.707 27.251 50.981 1.00 0.00 C ATOM 880 OE1 GLU A 58 9.925 28.146 51.366 1.00 0.00 O ATOM 881 OE2 GLU A 58 11.375 27.336 49.929 1.00 0.00 O ATOM 0 H GLU A 58 13.035 26.690 52.533 1.00 0.00 H new ATOM 0 HA GLU A 58 11.945 26.310 55.087 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.821 25.917 53.722 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.655 27.430 53.429 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.816 25.526 51.640 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.083 25.273 51.563 1.00 0.00 H new ATOM 888 N PRO A 59 11.064 23.877 55.285 1.00 0.00 N ATOM 889 CA PRO A 59 10.887 22.444 55.566 1.00 0.00 C ATOM 890 C PRO A 59 10.021 21.755 54.518 1.00 0.00 C ATOM 891 O PRO A 59 8.893 21.350 54.799 1.00 0.00 O ATOM 892 CB PRO A 59 10.209 22.420 56.929 1.00 0.00 C ATOM 893 CG PRO A 59 9.510 23.731 57.047 1.00 0.00 C ATOM 894 CD PRO A 59 10.297 24.717 56.222 1.00 0.00 C ATOM 0 HA PRO A 59 11.835 21.907 55.548 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.505 21.591 57.003 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.939 22.290 57.728 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.484 23.656 56.686 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.460 24.050 58.088 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.640 25.406 55.692 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.956 25.321 56.846 1.00 0.00 H new ATOM 902 N LEU A 60 10.557 21.623 53.309 1.00 0.00 N ATOM 903 CA LEU A 60 9.837 20.981 52.215 1.00 0.00 C ATOM 904 C LEU A 60 9.953 19.466 52.321 1.00 0.00 C ATOM 905 O LEU A 60 11.054 18.924 52.427 1.00 0.00 O ATOM 906 CB LEU A 60 10.396 21.453 50.876 1.00 0.00 C ATOM 907 CG LEU A 60 11.848 21.016 50.698 1.00 0.00 C ATOM 908 CD1 LEU A 60 11.944 19.880 49.683 1.00 0.00 C ATOM 909 CD2 LEU A 60 12.715 22.195 50.266 1.00 0.00 C ATOM 0 H LEU A 60 11.490 21.953 53.062 1.00 0.00 H new ATOM 0 HA LEU A 60 8.784 21.257 52.280 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.790 21.050 50.064 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.330 22.539 50.814 1.00 0.00 H new ATOM 0 HG LEU A 60 12.217 20.653 51.657 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.986 19.581 49.569 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.359 19.029 50.033 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.556 20.217 48.722 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.746 21.863 50.144 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.347 22.590 49.319 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.672 22.976 51.026 1.00 0.00 H new ATOM 921 N GLN A 61 8.812 18.786 52.292 1.00 0.00 N ATOM 922 CA GLN A 61 8.785 17.330 52.385 1.00 0.00 C ATOM 923 C GLN A 61 7.883 16.744 51.307 1.00 0.00 C ATOM 924 O GLN A 61 7.248 15.709 51.511 1.00 0.00 O ATOM 925 CB GLN A 61 8.288 16.908 53.764 1.00 0.00 C ATOM 926 CG GLN A 61 8.557 15.428 54.020 1.00 0.00 C ATOM 927 CD GLN A 61 7.356 14.784 54.700 1.00 0.00 C ATOM 928 OE1 GLN A 61 6.768 13.838 54.177 1.00 0.00 O ATOM 929 NE2 GLN A 61 6.991 15.300 55.868 1.00 0.00 N ATOM 0 H GLN A 61 7.893 19.220 52.205 1.00 0.00 H new ATOM 0 HA GLN A 61 9.796 16.952 52.236 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.781 17.507 54.530 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.219 17.105 53.844 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.766 14.921 53.078 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.442 15.315 54.646 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.509 16.085 56.263 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.193 14.911 56.370 1.00 0.00 H new ATOM 938 N GLY A 62 7.830 17.410 50.158 1.00 0.00 N ATOM 939 CA GLY A 62 7.003 16.952 49.047 1.00 0.00 C ATOM 940 C GLY A 62 7.530 17.488 47.721 1.00 0.00 C ATOM 941 O GLY A 62 8.622 18.052 47.660 1.00 0.00 O ATOM 0 H GLY A 62 8.349 18.268 49.972 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.989 15.862 49.024 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.974 17.281 49.194 1.00 0.00 H new ATOM 945 N PRO A 63 6.756 17.314 46.635 1.00 0.00 N ATOM 946 CA PRO A 63 7.147 17.781 45.298 1.00 0.00 C ATOM 947 C PRO A 63 6.928 19.280 45.129 1.00 0.00 C ATOM 948 O PRO A 63 6.242 19.911 45.933 1.00 0.00 O ATOM 949 CB PRO A 63 6.245 16.995 44.357 1.00 0.00 C ATOM 950 CG PRO A 63 5.038 16.631 45.163 1.00 0.00 C ATOM 951 CD PRO A 63 5.441 16.651 46.620 1.00 0.00 C ATOM 0 HA PRO A 63 8.208 17.623 45.106 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.970 17.593 43.488 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.750 16.104 43.984 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.228 17.337 44.980 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.672 15.644 44.880 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.716 17.196 47.224 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.501 15.642 47.028 1.00 0.00 H new ATOM 959 N PHE A 64 7.515 19.845 44.078 1.00 0.00 N ATOM 960 CA PHE A 64 7.382 21.273 43.804 1.00 0.00 C ATOM 961 C PHE A 64 6.302 21.516 42.761 1.00 0.00 C ATOM 962 O PHE A 64 6.513 21.279 41.571 1.00 0.00 O ATOM 963 CB PHE A 64 8.705 21.842 43.294 1.00 0.00 C ATOM 964 CG PHE A 64 9.823 21.768 44.301 1.00 0.00 C ATOM 965 CD1 PHE A 64 9.898 22.696 45.326 1.00 0.00 C ATOM 966 CD2 PHE A 64 10.782 20.774 44.196 1.00 0.00 C ATOM 967 CE1 PHE A 64 10.930 22.628 46.247 1.00 0.00 C ATOM 968 CE2 PHE A 64 11.814 20.707 45.115 1.00 0.00 C ATOM 969 CZ PHE A 64 11.889 21.634 46.142 1.00 0.00 C ATOM 0 H PHE A 64 8.087 19.337 43.403 1.00 0.00 H new ATOM 0 HA PHE A 64 7.106 21.771 44.733 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.001 21.301 42.395 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.556 22.882 43.005 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.152 23.473 45.407 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.724 20.051 43.396 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.987 23.351 47.048 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.561 19.932 45.032 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.694 21.582 46.860 1.00 0.00 H new ATOM 979 N ASN A 65 5.150 22.006 43.204 1.00 0.00 N ATOM 980 CA ASN A 65 4.050 22.295 42.294 1.00 0.00 C ATOM 981 C ASN A 65 4.325 23.602 41.562 1.00 0.00 C ATOM 982 O ASN A 65 4.845 24.551 42.149 1.00 0.00 O ATOM 983 CB ASN A 65 2.736 22.387 43.064 1.00 0.00 C ATOM 984 CG ASN A 65 2.613 21.229 44.045 1.00 0.00 C ATOM 985 OD1 ASN A 65 2.416 20.082 43.646 1.00 0.00 O ATOM 986 ND2 ASN A 65 2.727 21.530 45.334 1.00 0.00 N ATOM 0 H ASN A 65 4.954 22.211 44.184 1.00 0.00 H new ATOM 0 HA ASN A 65 3.966 21.488 41.566 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.688 23.334 43.602 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.897 22.373 42.368 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.651 20.796 46.038 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.890 22.495 45.620 1.00 0.00 H new ATOM 993 N PHE A 66 3.990 23.647 40.277 1.00 0.00 N ATOM 994 CA PHE A 66 4.223 24.843 39.473 1.00 0.00 C ATOM 995 C PHE A 66 2.924 25.369 38.877 1.00 0.00 C ATOM 996 O PHE A 66 1.848 24.820 39.111 1.00 0.00 O ATOM 997 CB PHE A 66 5.210 24.527 38.354 1.00 0.00 C ATOM 998 CG PHE A 66 6.646 24.562 38.811 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.361 25.747 38.762 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.252 23.408 39.279 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.681 25.778 39.180 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.572 23.439 39.698 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.286 24.624 39.648 1.00 0.00 C ATOM 0 H PHE A 66 3.558 22.874 39.771 1.00 0.00 H new ATOM 0 HA PHE A 66 4.637 25.614 40.123 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.987 23.540 37.948 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.074 25.243 37.544 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.889 26.647 38.398 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.695 22.483 39.317 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.238 26.702 39.141 1.00 0.00 H new ATOM 0 HE2 PHE A 66 9.044 22.539 40.064 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.315 24.648 39.974 1.00 0.00 H new ATOM 1013 N ARG A 67 3.043 26.443 38.102 1.00 0.00 N ATOM 1014 CA ARG A 67 1.894 27.068 37.456 1.00 0.00 C ATOM 1015 C ARG A 67 2.329 28.353 36.765 1.00 0.00 C ATOM 1016 O ARG A 67 1.834 29.436 37.079 1.00 0.00 O ATOM 1017 CB ARG A 67 0.816 27.376 38.490 1.00 0.00 C ATOM 1018 CG ARG A 67 1.396 28.127 39.685 1.00 0.00 C ATOM 1019 CD ARG A 67 0.748 29.499 39.849 1.00 0.00 C ATOM 1020 NE ARG A 67 -0.647 29.357 40.256 1.00 0.00 N ATOM 1021 CZ ARG A 67 -1.298 30.337 40.875 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -0.994 31.602 40.620 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -2.252 30.052 41.750 1.00 0.00 N ATOM 0 H ARG A 67 3.932 26.902 37.905 1.00 0.00 H new ATOM 0 HA ARG A 67 1.486 26.381 36.714 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.027 27.972 38.031 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.357 26.447 38.829 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.246 27.541 40.592 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.472 28.244 39.555 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.293 30.079 40.593 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.805 30.050 38.910 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.135 28.483 40.060 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.260 31.825 39.948 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.494 32.353 41.096 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.487 29.080 41.949 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.751 30.805 42.224 1.00 0.00 H new ATOM 1037 N PHE A 68 3.267 28.231 35.831 1.00 0.00 N ATOM 1038 CA PHE A 68 3.778 29.389 35.108 1.00 0.00 C ATOM 1039 C PHE A 68 2.644 30.220 34.539 1.00 0.00 C ATOM 1040 O PHE A 68 1.500 29.771 34.462 1.00 0.00 O ATOM 1041 CB PHE A 68 4.704 28.954 33.977 1.00 0.00 C ATOM 1042 CG PHE A 68 4.241 27.696 33.285 1.00 0.00 C ATOM 1043 CD1 PHE A 68 3.058 27.698 32.564 1.00 0.00 C ATOM 1044 CD2 PHE A 68 4.998 26.538 33.366 1.00 0.00 C ATOM 1045 CE1 PHE A 68 2.631 26.545 31.926 1.00 0.00 C ATOM 1046 CE2 PHE A 68 4.572 25.385 32.728 1.00 0.00 C ATOM 1047 CZ PHE A 68 3.389 25.388 32.008 1.00 0.00 C ATOM 0 H PHE A 68 3.688 27.343 35.558 1.00 0.00 H new ATOM 0 HA PHE A 68 4.339 29.997 35.818 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.777 29.758 33.245 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.706 28.795 34.376 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.468 28.600 32.499 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.921 26.535 33.927 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.708 26.548 31.365 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.163 24.483 32.792 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.057 24.489 31.510 1.00 0.00 H new ATOM 1057 N LEU A 69 2.979 31.436 34.135 1.00 0.00 N ATOM 1058 CA LEU A 69 2.007 32.354 33.559 1.00 0.00 C ATOM 1059 C LEU A 69 2.385 32.637 32.113 1.00 0.00 C ATOM 1060 O LEU A 69 2.709 33.770 31.760 1.00 0.00 O ATOM 1061 CB LEU A 69 1.966 33.665 34.355 1.00 0.00 C ATOM 1062 CG LEU A 69 2.323 33.456 35.830 1.00 0.00 C ATOM 1063 CD1 LEU A 69 2.441 34.799 36.546 1.00 0.00 C ATOM 1064 CD2 LEU A 69 1.280 32.577 36.514 1.00 0.00 C ATOM 0 H LEU A 69 3.925 31.813 34.196 1.00 0.00 H new ATOM 0 HA LEU A 69 1.018 31.898 33.599 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.660 34.379 33.912 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.970 34.102 34.282 1.00 0.00 H new ATOM 0 HG LEU A 69 3.287 32.950 35.882 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.695 34.632 37.593 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.221 35.396 36.074 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.491 35.329 36.483 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.550 32.439 37.561 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.303 33.056 36.451 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.241 31.607 36.019 1.00 0.00 H new ATOM 1076 N THR A 70 2.358 31.581 31.291 1.00 0.00 N ATOM 1077 CA THR A 70 2.712 31.653 29.863 1.00 0.00 C ATOM 1078 C THR A 70 2.405 33.018 29.254 1.00 0.00 C ATOM 1079 O THR A 70 1.364 33.614 29.527 1.00 0.00 O ATOM 1080 CB THR A 70 1.959 30.571 29.097 1.00 0.00 C ATOM 1081 OG1 THR A 70 0.601 30.542 29.508 1.00 0.00 O ATOM 1082 CG2 THR A 70 2.601 29.205 29.318 1.00 0.00 C ATOM 0 H THR A 70 2.089 30.646 31.597 1.00 0.00 H new ATOM 0 HA THR A 70 3.788 31.497 29.785 1.00 0.00 H new ATOM 0 HB THR A 70 2.007 30.805 28.034 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.231 31.449 29.480 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.047 28.448 28.762 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.634 29.228 28.970 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.582 28.961 30.380 1.00 0.00 H new ATOM 1090 N GLU A 71 3.327 33.505 28.427 1.00 0.00 N ATOM 1091 CA GLU A 71 3.167 34.800 27.773 1.00 0.00 C ATOM 1092 C GLU A 71 1.824 34.871 27.060 1.00 0.00 C ATOM 1093 O GLU A 71 1.188 35.924 27.018 1.00 0.00 O ATOM 1094 CB GLU A 71 4.295 35.024 26.768 1.00 0.00 C ATOM 1095 CG GLU A 71 5.668 34.850 27.412 1.00 0.00 C ATOM 1096 CD GLU A 71 6.719 35.620 26.624 1.00 0.00 C ATOM 1097 OE1 GLU A 71 6.672 36.868 26.632 1.00 0.00 O ATOM 1098 OE2 GLU A 71 7.586 34.974 25.999 1.00 0.00 O ATOM 0 H GLU A 71 4.194 33.021 28.194 1.00 0.00 H new ATOM 0 HA GLU A 71 3.205 35.579 28.534 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.190 34.322 25.940 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.214 36.027 26.348 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.642 35.205 28.442 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.931 33.793 27.446 1.00 0.00 H new ATOM 1105 N LYS A 72 1.399 33.746 26.495 1.00 0.00 N ATOM 1106 CA LYS A 72 0.130 33.681 25.778 1.00 0.00 C ATOM 1107 C LYS A 72 -0.503 32.306 25.938 1.00 0.00 C ATOM 1108 O LYS A 72 -0.640 31.558 24.969 1.00 0.00 O ATOM 1109 CB LYS A 72 0.355 33.979 24.299 1.00 0.00 C ATOM 1110 CG LYS A 72 -0.817 34.757 23.706 1.00 0.00 C ATOM 1111 CD LYS A 72 -2.122 33.978 23.836 1.00 0.00 C ATOM 1112 CE LYS A 72 -3.263 34.685 23.109 1.00 0.00 C ATOM 1113 NZ LYS A 72 -3.426 34.164 21.722 1.00 0.00 N ATOM 0 H LYS A 72 1.915 32.866 26.520 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.546 34.426 26.197 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.274 34.552 24.177 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.487 33.045 23.753 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.912 35.717 24.213 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.621 34.969 22.655 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.992 32.976 23.427 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.376 33.862 24.890 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.191 34.547 23.663 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.068 35.757 23.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.209 34.663 21.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.547 34.318 21.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.636 33.146 21.756 1.00 0.00 H new ATOM 1127 N GLY A 73 -0.889 31.976 27.165 1.00 0.00 N ATOM 1128 CA GLY A 73 -1.510 30.688 27.453 1.00 0.00 C ATOM 1129 C GLY A 73 -2.454 30.803 28.641 1.00 0.00 C ATOM 1130 O GLY A 73 -3.537 31.378 28.534 1.00 0.00 O ATOM 0 H GLY A 73 -0.783 32.583 27.978 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.058 30.339 26.578 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.740 29.946 27.664 1.00 0.00 H new ATOM 1134 N MET A 74 -2.034 30.254 29.774 1.00 0.00 N ATOM 1135 CA MET A 74 -2.837 30.292 30.991 1.00 0.00 C ATOM 1136 C MET A 74 -2.059 29.690 32.153 1.00 0.00 C ATOM 1137 O MET A 74 -0.947 29.194 31.977 1.00 0.00 O ATOM 1138 CB MET A 74 -4.139 29.524 30.783 1.00 0.00 C ATOM 1139 CG MET A 74 -3.877 28.137 30.203 1.00 0.00 C ATOM 1140 SD MET A 74 -5.385 27.331 29.644 1.00 0.00 S ATOM 1141 CE MET A 74 -4.764 25.692 29.235 1.00 0.00 C ATOM 0 H MET A 74 -1.139 29.776 29.876 1.00 0.00 H new ATOM 0 HA MET A 74 -3.071 31.331 31.224 1.00 0.00 H new ATOM 0 HB2 MET A 74 -4.664 29.430 31.733 1.00 0.00 H new ATOM 0 HB3 MET A 74 -4.791 30.084 30.113 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.182 28.221 29.367 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.395 27.516 30.958 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.584 25.072 28.872 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.001 25.775 28.461 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.330 25.235 30.124 1.00 0.00 H new ATOM 1151 N LYS A 75 -2.651 29.736 33.341 1.00 0.00 N ATOM 1152 CA LYS A 75 -2.014 29.193 34.535 1.00 0.00 C ATOM 1153 C LYS A 75 -2.482 27.762 34.775 1.00 0.00 C ATOM 1154 O LYS A 75 -3.676 27.509 34.934 1.00 0.00 O ATOM 1155 CB LYS A 75 -2.350 30.063 35.743 1.00 0.00 C ATOM 1156 CG LYS A 75 -1.645 31.415 35.666 1.00 0.00 C ATOM 1157 CD LYS A 75 -2.116 32.219 34.456 1.00 0.00 C ATOM 1158 CE LYS A 75 -2.028 33.719 34.720 1.00 0.00 C ATOM 1159 NZ LYS A 75 -3.302 34.408 34.368 1.00 0.00 N ATOM 0 H LYS A 75 -3.572 30.144 33.503 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.934 29.189 34.389 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.428 30.215 35.796 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.056 29.548 36.658 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.837 31.980 36.578 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.567 31.263 35.607 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.508 31.964 33.588 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.144 31.949 34.215 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.797 33.892 35.771 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.210 34.145 34.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.210 35.426 34.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.508 34.262 33.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.078 34.017 34.940 1.00 0.00 H new ATOM 1173 N ASN A 76 -1.537 26.826 34.793 1.00 0.00 N ATOM 1174 CA ASN A 76 -1.859 25.417 35.005 1.00 0.00 C ATOM 1175 C ASN A 76 -1.321 24.937 36.347 1.00 0.00 C ATOM 1176 O ASN A 76 -0.534 25.626 36.994 1.00 0.00 O ATOM 1177 CB ASN A 76 -1.266 24.572 33.882 1.00 0.00 C ATOM 1178 CG ASN A 76 -1.904 24.943 32.550 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -3.012 24.508 32.239 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -1.202 25.748 31.760 1.00 0.00 N ATOM 0 H ASN A 76 -0.543 27.017 34.664 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.944 25.309 35.005 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.188 24.726 33.832 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.428 23.514 34.089 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.578 26.029 30.855 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.287 26.085 32.059 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.748 23.747 36.756 1.00 0.00 N ATOM 1188 CA VAL A 77 -1.307 23.164 38.019 1.00 0.00 C ATOM 1189 C VAL A 77 -0.613 21.831 37.765 1.00 0.00 C ATOM 1190 O VAL A 77 -0.889 21.156 36.772 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.502 22.965 38.949 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -2.071 22.284 40.246 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.173 24.303 39.249 1.00 0.00 C ATOM 0 H VAL A 77 -2.401 23.166 36.230 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.600 23.844 38.494 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.222 22.319 38.446 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.938 22.152 40.893 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.637 21.310 40.019 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.330 22.902 40.753 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.023 24.143 39.913 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.457 24.969 39.730 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.519 24.753 38.319 1.00 0.00 H new ATOM 1203 N PHE A 78 0.290 21.458 38.664 1.00 0.00 N ATOM 1204 CA PHE A 78 1.026 20.206 38.533 1.00 0.00 C ATOM 1205 C PHE A 78 1.453 19.691 39.900 1.00 0.00 C ATOM 1206 O PHE A 78 2.019 20.431 40.706 1.00 0.00 O ATOM 1207 CB PHE A 78 2.251 20.416 37.648 1.00 0.00 C ATOM 1208 CG PHE A 78 1.918 21.092 36.342 1.00 0.00 C ATOM 1209 CD1 PHE A 78 1.481 20.341 35.264 1.00 0.00 C ATOM 1210 CD2 PHE A 78 2.045 22.467 36.220 1.00 0.00 C ATOM 1211 CE1 PHE A 78 1.170 20.962 34.066 1.00 0.00 C ATOM 1212 CE2 PHE A 78 1.736 23.088 35.022 1.00 0.00 C ATOM 1213 CZ PHE A 78 1.298 22.336 33.945 1.00 0.00 C ATOM 0 H PHE A 78 0.530 22.004 39.491 1.00 0.00 H new ATOM 0 HA PHE A 78 0.373 19.464 38.073 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.984 21.017 38.186 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.717 19.452 37.445 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.383 19.270 35.358 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.385 23.054 37.060 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.828 20.375 33.226 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.837 24.159 34.927 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.056 22.821 33.011 1.00 0.00 H new ATOM 1223 N ASP A 79 1.180 18.416 40.155 1.00 0.00 N ATOM 1224 CA ASP A 79 1.537 17.794 41.425 1.00 0.00 C ATOM 1225 C ASP A 79 2.507 16.643 41.192 1.00 0.00 C ATOM 1226 O ASP A 79 2.471 15.990 40.148 1.00 0.00 O ATOM 1227 CB ASP A 79 0.281 17.282 42.126 1.00 0.00 C ATOM 1228 CG ASP A 79 -0.524 18.448 42.685 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -0.192 19.609 42.365 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -1.485 18.198 43.442 1.00 0.00 O ATOM 0 H ASP A 79 0.712 17.792 39.498 1.00 0.00 H new ATOM 0 HA ASP A 79 2.020 18.539 42.058 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.329 16.713 41.424 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.557 16.602 42.932 1.00 0.00 H new ATOM 1235 N ASP A 80 3.375 16.397 42.168 1.00 0.00 N ATOM 1236 CA ASP A 80 4.357 15.321 42.068 1.00 0.00 C ATOM 1237 C ASP A 80 5.331 15.594 40.929 1.00 0.00 C ATOM 1238 O ASP A 80 5.675 14.692 40.164 1.00 0.00 O ATOM 1239 CB ASP A 80 3.648 13.989 41.840 1.00 0.00 C ATOM 1240 CG ASP A 80 4.585 12.831 42.162 1.00 0.00 C ATOM 1241 OD1 ASP A 80 5.816 13.040 42.152 1.00 0.00 O ATOM 1242 OD2 ASP A 80 4.085 11.716 42.422 1.00 0.00 O ATOM 0 H ASP A 80 3.419 16.928 43.038 1.00 0.00 H new ATOM 0 HA ASP A 80 4.918 15.272 43.001 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.758 13.931 42.466 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.314 13.919 40.805 1.00 0.00 H new ATOM 1247 N VAL A 81 5.775 16.842 40.823 1.00 0.00 N ATOM 1248 CA VAL A 81 6.715 17.236 39.778 1.00 0.00 C ATOM 1249 C VAL A 81 8.159 16.983 40.214 1.00 0.00 C ATOM 1250 O VAL A 81 9.085 17.142 39.420 1.00 0.00 O ATOM 1251 CB VAL A 81 6.527 18.713 39.440 1.00 0.00 C ATOM 1252 CG1 VAL A 81 7.516 19.146 38.361 1.00 0.00 C ATOM 1253 CG2 VAL A 81 5.093 18.979 38.992 1.00 0.00 C ATOM 0 H VAL A 81 5.499 17.599 41.448 1.00 0.00 H new ATOM 0 HA VAL A 81 6.514 16.632 38.893 1.00 0.00 H new ATOM 0 HB VAL A 81 6.722 19.300 40.338 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.367 20.201 38.133 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.534 18.992 38.718 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.354 18.554 37.460 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.976 20.036 38.755 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.872 18.382 38.107 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.405 18.709 39.793 1.00 0.00 H new ATOM 1263 N VAL A 82 8.352 16.587 41.473 1.00 0.00 N ATOM 1264 CA VAL A 82 9.688 16.314 41.990 1.00 0.00 C ATOM 1265 C VAL A 82 9.610 15.347 43.170 1.00 0.00 C ATOM 1266 O VAL A 82 9.052 15.681 44.215 1.00 0.00 O ATOM 1267 CB VAL A 82 10.355 17.614 42.433 1.00 0.00 C ATOM 1268 CG1 VAL A 82 11.739 17.333 43.015 1.00 0.00 C ATOM 1269 CG2 VAL A 82 10.456 18.591 41.266 1.00 0.00 C ATOM 0 H VAL A 82 7.601 16.449 42.149 1.00 0.00 H new ATOM 0 HA VAL A 82 10.282 15.860 41.197 1.00 0.00 H new ATOM 0 HB VAL A 82 9.739 18.068 43.209 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.200 18.270 43.326 1.00 0.00 H new ATOM 0 HG12 VAL A 82 11.644 16.672 43.877 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.362 16.855 42.259 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.934 19.511 41.602 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.049 18.144 40.468 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.457 18.817 40.893 1.00 0.00 H new ATOM 1279 N PRO A 83 10.172 14.132 43.024 1.00 0.00 N ATOM 1280 CA PRO A 83 10.159 13.123 44.095 1.00 0.00 C ATOM 1281 C PRO A 83 11.128 13.471 45.220 1.00 0.00 C ATOM 1282 O PRO A 83 11.688 14.567 45.253 1.00 0.00 O ATOM 1283 CB PRO A 83 10.589 11.840 43.397 1.00 0.00 C ATOM 1284 CG PRO A 83 11.383 12.283 42.212 1.00 0.00 C ATOM 1285 CD PRO A 83 10.862 13.643 41.817 1.00 0.00 C ATOM 0 HA PRO A 83 9.180 13.048 44.569 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.187 11.213 44.059 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.725 11.249 43.093 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.444 12.332 42.455 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.277 11.575 41.390 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.673 14.310 41.524 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.181 13.577 40.968 1.00 0.00 H new ATOM 1293 N GLU A 84 11.324 12.530 46.138 1.00 0.00 N ATOM 1294 CA GLU A 84 12.230 12.734 47.265 1.00 0.00 C ATOM 1295 C GLU A 84 13.633 12.263 46.903 1.00 0.00 C ATOM 1296 O GLU A 84 13.826 11.122 46.482 1.00 0.00 O ATOM 1297 CB GLU A 84 11.723 11.972 48.486 1.00 0.00 C ATOM 1298 CG GLU A 84 11.673 12.872 49.717 1.00 0.00 C ATOM 1299 CD GLU A 84 12.057 12.085 50.963 1.00 0.00 C ATOM 1300 OE1 GLU A 84 13.267 11.859 51.175 1.00 0.00 O ATOM 1301 OE2 GLU A 84 11.148 11.693 51.724 1.00 0.00 O ATOM 0 H GLU A 84 10.868 11.618 46.124 1.00 0.00 H new ATOM 0 HA GLU A 84 12.266 13.798 47.500 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.729 11.574 48.283 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.373 11.120 48.682 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.352 13.715 49.587 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.671 13.285 49.834 1.00 0.00 H new ATOM 1308 N LYS A 85 14.611 13.149 47.064 1.00 0.00 N ATOM 1309 CA LYS A 85 15.998 12.824 46.749 1.00 0.00 C ATOM 1310 C LYS A 85 16.148 12.562 45.256 1.00 0.00 C ATOM 1311 O LYS A 85 16.829 11.624 44.843 1.00 0.00 O ATOM 1312 CB LYS A 85 16.440 11.597 47.541 1.00 0.00 C ATOM 1313 CG LYS A 85 17.833 11.792 48.132 1.00 0.00 C ATOM 1314 CD LYS A 85 17.770 11.983 49.645 1.00 0.00 C ATOM 1315 CE LYS A 85 19.147 11.812 50.280 1.00 0.00 C ATOM 1316 NZ LYS A 85 19.089 10.914 51.468 1.00 0.00 N ATOM 0 H LYS A 85 14.469 14.098 47.411 1.00 0.00 H new ATOM 0 HA LYS A 85 16.629 13.669 47.024 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.727 11.402 48.342 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.437 10.722 46.891 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.454 10.928 47.898 1.00 0.00 H new ATOM 0 HG3 LYS A 85 18.307 12.659 47.673 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.382 12.976 49.873 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.075 11.262 50.077 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.840 11.402 49.545 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.536 12.786 50.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.040 10.818 51.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 18.446 11.319 52.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 18.740 9.978 51.179 1.00 0.00 H new ATOM 1330 N TYR A 86 15.500 13.398 44.451 1.00 0.00 N ATOM 1331 CA TYR A 86 15.549 13.265 42.999 1.00 0.00 C ATOM 1332 C TYR A 86 16.989 13.154 42.515 1.00 0.00 C ATOM 1333 O TYR A 86 17.931 13.232 43.304 1.00 0.00 O ATOM 1334 CB TYR A 86 14.879 14.469 42.346 1.00 0.00 C ATOM 1335 CG TYR A 86 15.453 15.783 42.815 1.00 0.00 C ATOM 1336 CD1 TYR A 86 16.650 16.243 42.293 1.00 0.00 C ATOM 1337 CD2 TYR A 86 14.785 16.530 43.770 1.00 0.00 C ATOM 1338 CE1 TYR A 86 17.177 17.449 42.725 1.00 0.00 C ATOM 1339 CE2 TYR A 86 15.314 17.736 44.201 1.00 0.00 C ATOM 1340 CZ TYR A 86 16.507 18.189 43.676 1.00 0.00 C ATOM 1341 OH TYR A 86 17.032 19.386 44.106 1.00 0.00 O ATOM 0 H TYR A 86 14.932 14.178 44.782 1.00 0.00 H new ATOM 0 HA TYR A 86 15.017 12.356 42.718 1.00 0.00 H new ATOM 0 HB2 TYR A 86 14.987 14.396 41.264 1.00 0.00 H new ATOM 0 HB3 TYR A 86 13.811 14.446 42.562 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.173 15.661 41.549 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.852 16.173 44.179 1.00 0.00 H new ATOM 0 HE1 TYR A 86 18.110 17.809 42.318 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.794 18.320 44.946 1.00 0.00 H new ATOM 0 HH TYR A 86 17.550 19.795 43.382 1.00 0.00 H new ATOM 1351 N THR A 87 17.148 12.977 41.208 1.00 0.00 N ATOM 1352 CA THR A 87 18.467 12.860 40.597 1.00 0.00 C ATOM 1353 C THR A 87 18.556 13.766 39.376 1.00 0.00 C ATOM 1354 O THR A 87 17.917 13.513 38.355 1.00 0.00 O ATOM 1355 CB THR A 87 18.726 11.411 40.191 1.00 0.00 C ATOM 1356 OG1 THR A 87 18.596 10.561 41.320 1.00 0.00 O ATOM 1357 CG2 THR A 87 20.116 11.258 39.579 1.00 0.00 C ATOM 0 H THR A 87 16.374 12.911 40.547 1.00 0.00 H new ATOM 0 HA THR A 87 19.222 13.166 41.321 1.00 0.00 H new ATOM 0 HB THR A 87 17.988 11.127 39.441 1.00 0.00 H new ATOM 0 HG1 THR A 87 18.762 9.633 41.052 1.00 0.00 H new ATOM 0 HG21 THR A 87 20.277 10.217 39.298 1.00 0.00 H new ATOM 0 HG22 THR A 87 20.195 11.889 38.694 1.00 0.00 H new ATOM 0 HG23 THR A 87 20.869 11.558 40.308 1.00 0.00 H new ATOM 1365 N ILE A 88 19.349 14.829 39.489 1.00 0.00 N ATOM 1366 CA ILE A 88 19.523 15.786 38.396 1.00 0.00 C ATOM 1367 C ILE A 88 19.758 15.059 37.073 1.00 0.00 C ATOM 1368 O ILE A 88 20.675 14.246 36.953 1.00 0.00 O ATOM 1369 CB ILE A 88 20.698 16.713 38.707 1.00 0.00 C ATOM 1370 CG1 ILE A 88 20.417 17.519 39.974 1.00 0.00 C ATOM 1371 CG2 ILE A 88 20.980 17.652 37.537 1.00 0.00 C ATOM 1372 CD1 ILE A 88 21.259 17.023 41.145 1.00 0.00 C ATOM 0 H ILE A 88 19.883 15.051 40.329 1.00 0.00 H new ATOM 0 HA ILE A 88 18.613 16.379 38.300 1.00 0.00 H new ATOM 0 HB ILE A 88 21.582 16.096 38.869 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.629 18.573 39.792 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.359 17.446 40.227 1.00 0.00 H new ATOM 0 HG21 ILE A 88 21.820 18.300 37.785 1.00 0.00 H new ATOM 0 HG22 ILE A 88 21.223 17.066 36.651 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.098 18.261 37.339 1.00 0.00 H new ATOM 0 HD11 ILE A 88 21.036 17.617 42.031 1.00 0.00 H new ATOM 0 HD12 ILE A 88 21.027 15.976 41.342 1.00 0.00 H new ATOM 0 HD13 ILE A 88 22.317 17.121 40.900 1.00 0.00 H new ATOM 1384 N GLY A 89 18.923 15.361 36.083 1.00 0.00 N ATOM 1385 CA GLY A 89 19.035 14.741 34.767 1.00 0.00 C ATOM 1386 C GLY A 89 17.919 13.727 34.549 1.00 0.00 C ATOM 1387 O GLY A 89 18.177 12.561 34.253 1.00 0.00 O ATOM 0 H GLY A 89 18.160 16.033 36.168 1.00 0.00 H new ATOM 0 HA2 GLY A 89 18.991 15.508 33.994 1.00 0.00 H new ATOM 0 HA3 GLY A 89 20.003 14.249 34.673 1.00 0.00 H new ATOM 1391 N ALA A 90 16.676 14.178 34.695 1.00 0.00 N ATOM 1392 CA ALA A 90 15.520 13.307 34.513 1.00 0.00 C ATOM 1393 C ALA A 90 14.226 14.082 34.730 1.00 0.00 C ATOM 1394 O ALA A 90 14.139 14.927 35.621 1.00 0.00 O ATOM 1395 CB ALA A 90 15.593 12.138 35.490 1.00 0.00 C ATOM 0 H ALA A 90 16.444 15.141 34.939 1.00 0.00 H new ATOM 0 HA ALA A 90 15.530 12.925 33.492 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.727 11.491 35.349 1.00 0.00 H new ATOM 0 HB2 ALA A 90 16.504 11.568 35.308 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.600 12.518 36.512 1.00 0.00 H new ATOM 1401 N THR A 91 13.220 13.786 33.912 1.00 0.00 N ATOM 1402 CA THR A 91 11.925 14.451 34.017 1.00 0.00 C ATOM 1403 C THR A 91 11.072 13.768 35.078 1.00 0.00 C ATOM 1404 O THR A 91 10.949 12.543 35.094 1.00 0.00 O ATOM 1405 CB THR A 91 11.208 14.418 32.670 1.00 0.00 C ATOM 1406 OG1 THR A 91 12.107 14.782 31.633 1.00 0.00 O ATOM 1407 CG2 THR A 91 10.005 15.357 32.673 1.00 0.00 C ATOM 0 H THR A 91 13.277 13.090 33.169 1.00 0.00 H new ATOM 0 HA THR A 91 12.085 15.490 34.306 1.00 0.00 H new ATOM 0 HB THR A 91 10.851 13.403 32.495 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.640 14.757 30.772 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.510 15.317 31.703 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.306 15.050 33.451 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.339 16.376 32.868 1.00 0.00 H new ATOM 1415 N TYR A 92 10.493 14.563 35.971 1.00 0.00 N ATOM 1416 CA TYR A 92 9.664 14.034 37.044 1.00 0.00 C ATOM 1417 C TYR A 92 8.209 14.459 36.869 1.00 0.00 C ATOM 1418 O TYR A 92 7.299 13.808 37.383 1.00 0.00 O ATOM 1419 CB TYR A 92 10.201 14.526 38.380 1.00 0.00 C ATOM 1420 CG TYR A 92 11.593 14.022 38.661 1.00 0.00 C ATOM 1421 CD1 TYR A 92 11.823 12.664 38.792 1.00 0.00 C ATOM 1422 CD2 TYR A 92 12.644 14.915 38.780 1.00 0.00 C ATOM 1423 CE1 TYR A 92 13.103 12.199 39.043 1.00 0.00 C ATOM 1424 CE2 TYR A 92 13.923 14.449 39.030 1.00 0.00 C ATOM 1425 CZ TYR A 92 14.146 13.094 39.160 1.00 0.00 C ATOM 1426 OH TYR A 92 15.417 12.631 39.407 1.00 0.00 O ATOM 0 H TYR A 92 10.584 15.579 35.972 1.00 0.00 H new ATOM 0 HA TYR A 92 9.699 12.945 37.015 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.204 15.616 38.388 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.533 14.203 39.178 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.004 11.966 38.698 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.466 15.975 38.678 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.284 11.139 39.147 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.744 15.144 39.123 1.00 0.00 H new ATOM 0 HH TYR A 92 16.063 13.161 38.896 1.00 0.00 H new ATOM 1436 N ALA A 93 7.993 15.550 36.140 1.00 0.00 N ATOM 1437 CA ALA A 93 6.645 16.056 35.897 1.00 0.00 C ATOM 1438 C ALA A 93 5.745 14.939 35.380 1.00 0.00 C ATOM 1439 O ALA A 93 6.183 13.799 35.227 1.00 0.00 O ATOM 1440 CB ALA A 93 6.694 17.195 34.884 1.00 0.00 C ATOM 0 H ALA A 93 8.734 16.101 35.707 1.00 0.00 H new ATOM 0 HA ALA A 93 6.235 16.429 36.836 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.685 17.568 34.707 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.316 18.001 35.273 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.116 16.831 33.947 1.00 0.00 H new ATOM 1446 N PRO A 94 4.467 15.252 35.105 1.00 0.00 N ATOM 1447 CA PRO A 94 3.502 14.266 34.605 1.00 0.00 C ATOM 1448 C PRO A 94 3.662 14.015 33.109 1.00 0.00 C ATOM 1449 O PRO A 94 4.357 14.811 32.444 1.00 0.00 O ATOM 1450 CB PRO A 94 2.149 14.893 34.908 1.00 0.00 C ATOM 1451 CG PRO A 94 2.390 16.369 34.966 1.00 0.00 C ATOM 1452 CD PRO A 94 3.859 16.584 35.259 1.00 0.00 C ATOM 0 HA PRO A 94 3.636 13.291 35.073 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.421 14.645 34.136 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.749 14.524 35.853 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.116 16.839 34.021 1.00 0.00 H new ATOM 0 HG3 PRO A 94 1.775 16.827 35.740 1.00 0.00 H new ATOM 0 HD2 PRO A 94 4.300 17.303 34.569 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.010 16.975 36.265 1.00 0.00 H new