USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 781 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 37 SER OG : rot 94:sc= 0.643 USER MOD Set 1.2: A 55 ASN : amide:sc= -1.52 K(o=-0.87,f=-5.3!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 162:sc= -2.17 (180deg=-3.04!) USER MOD Single : A 24 ASN : amide:sc= -2.27 K(o=-2.3,f=-9.9!) USER MOD Single : A 26 GLN : amide:sc= -1.24 K(o=-1.2,f=-4.4!) USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0893) USER MOD Single : A 29 LYS NZ :NH3+ 153:sc= -0.051 (180deg=-0.467) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00062 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.498 USER MOD Single : A 40 SER OG : rot 86:sc= 0.879 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.529 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 30:sc= -0.517 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0754 X(o=-0.075,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -2.46! C(o=-2.5!,f=-13!) USER MOD Single : A 85 LYS NZ :NH3+ -126:sc= -3.35 (180deg=-8.99!) USER MOD Single : A 86 SER OG : rot 73:sc= 0.149 USER MOD Single : A 87 GLN : amide:sc= -4.94! C(o=-4.9!,f=-11!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 77:sc= 0.00196 USER MOD Single : A 97 THR OG1 : rot 64:sc= 0.809 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -111:sc= -0.246 (180deg=-3.15!) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.966 USER MOD Single : A 104 SER OG : rot 161:sc= -0.924 USER MOD Single : A 110 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 17 -10.454 -15.485 -15.560 1.00 0.00 N ATOM 2 CA LYS A 17 -9.566 -15.103 -16.652 1.00 0.00 C ATOM 3 C LYS A 17 -9.413 -13.588 -16.723 1.00 0.00 C ATOM 4 O LYS A 17 -10.328 -12.880 -17.143 1.00 0.00 O ATOM 5 CB LYS A 17 -10.099 -15.637 -17.983 1.00 0.00 C ATOM 6 CG LYS A 17 -9.894 -17.131 -18.165 1.00 0.00 C ATOM 7 CD LYS A 17 -10.514 -17.624 -19.464 1.00 0.00 C ATOM 8 CE LYS A 17 -11.156 -18.991 -19.293 1.00 0.00 C ATOM 9 NZ LYS A 17 -12.640 -18.901 -19.213 1.00 0.00 N ATOM 0 HA LYS A 17 -8.586 -15.541 -16.460 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.163 -15.413 -18.054 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.607 -15.109 -18.800 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.828 -17.356 -18.161 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.336 -17.665 -17.324 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.263 -16.909 -19.805 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.748 -17.675 -20.237 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.876 -19.631 -20.130 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.772 -19.462 -18.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.040 -19.854 -19.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.909 -18.311 -18.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.010 -18.475 -20.087 1.00 0.00 H new ATOM 23 N ARG A 18 -8.250 -13.095 -16.309 1.00 0.00 N ATOM 24 CA ARG A 18 -7.977 -11.662 -16.325 1.00 0.00 C ATOM 25 C ARG A 18 -8.977 -10.910 -15.452 1.00 0.00 C ATOM 26 O ARG A 18 -9.915 -10.293 -15.955 1.00 0.00 O ATOM 27 CB ARG A 18 -8.023 -11.129 -17.760 1.00 0.00 C ATOM 28 CG ARG A 18 -6.656 -10.768 -18.318 1.00 0.00 C ATOM 29 CD ARG A 18 -6.661 -10.750 -19.838 1.00 0.00 C ATOM 30 NE ARG A 18 -5.467 -10.109 -20.383 1.00 0.00 N ATOM 31 CZ ARG A 18 -5.046 -10.270 -21.636 1.00 0.00 C ATOM 32 NH1 ARG A 18 -5.719 -11.048 -22.475 1.00 0.00 N ATOM 33 NH2 ARG A 18 -3.949 -9.650 -22.051 1.00 0.00 N ATOM 0 H ARG A 18 -7.481 -13.667 -15.958 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.978 -11.500 -15.920 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.482 -11.880 -18.403 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.663 -10.248 -17.791 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.356 -9.790 -17.943 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.916 -11.486 -17.964 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.726 -11.772 -20.212 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.548 -10.224 -20.191 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.924 -9.503 -19.768 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.563 -11.526 -22.161 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.392 -11.167 -23.434 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.429 -9.051 -21.410 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.626 -9.773 -23.011 1.00 0.00 H new ATOM 47 N VAL A 19 -8.769 -10.965 -14.140 1.00 0.00 N ATOM 48 CA VAL A 19 -9.650 -10.291 -13.197 1.00 0.00 C ATOM 49 C VAL A 19 -8.932 -9.139 -12.502 1.00 0.00 C ATOM 50 O VAL A 19 -7.702 -9.090 -12.468 1.00 0.00 O ATOM 51 CB VAL A 19 -10.184 -11.265 -12.130 1.00 0.00 C ATOM 52 CG1 VAL A 19 -11.294 -10.614 -11.319 1.00 0.00 C ATOM 53 CG2 VAL A 19 -10.674 -12.553 -12.776 1.00 0.00 C ATOM 0 H VAL A 19 -7.996 -11.471 -13.707 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.489 -9.900 -13.773 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.367 -11.513 -11.453 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.658 -11.318 -10.570 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.908 -9.724 -10.823 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.112 -10.333 -11.982 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.047 -13.228 -12.005 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.476 -12.326 -13.478 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.850 -13.030 -13.308 1.00 0.00 H new ATOM 63 N GLY A 20 -9.708 -8.212 -11.950 1.00 0.00 N ATOM 64 CA GLY A 20 -9.130 -7.073 -11.263 1.00 0.00 C ATOM 65 C GLY A 20 -8.310 -6.192 -12.186 1.00 0.00 C ATOM 66 O GLY A 20 -7.868 -6.636 -13.247 1.00 0.00 O ATOM 0 H GLY A 20 -10.728 -8.230 -11.967 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.927 -6.481 -10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.499 -7.427 -10.448 1.00 0.00 H new ATOM 70 N LYS A 21 -8.105 -4.944 -11.781 1.00 0.00 N ATOM 71 CA LYS A 21 -7.331 -3.997 -12.578 1.00 0.00 C ATOM 72 C LYS A 21 -6.360 -3.215 -11.701 1.00 0.00 C ATOM 73 O LYS A 21 -6.667 -2.896 -10.552 1.00 0.00 O ATOM 74 CB LYS A 21 -8.264 -3.033 -13.317 1.00 0.00 C ATOM 75 CG LYS A 21 -9.458 -2.581 -12.492 1.00 0.00 C ATOM 76 CD LYS A 21 -9.058 -1.546 -11.452 1.00 0.00 C ATOM 77 CE LYS A 21 -10.212 -0.615 -11.121 1.00 0.00 C ATOM 78 NZ LYS A 21 -10.390 -0.454 -9.650 1.00 0.00 N ATOM 0 H LYS A 21 -8.464 -4.563 -10.905 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.755 -4.563 -13.310 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.695 -2.156 -13.626 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.624 -3.515 -14.226 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.218 -2.161 -13.151 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.906 -3.442 -11.996 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.724 -2.050 -10.545 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.214 -0.964 -11.822 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.034 0.360 -11.574 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.131 -1.006 -11.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.960 0.395 -9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.875 -1.290 -9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.459 -0.354 -9.197 1.00 0.00 H new ATOM 92 N ARG A 22 -5.188 -2.910 -12.247 1.00 0.00 N ATOM 93 CA ARG A 22 -4.173 -2.167 -11.509 1.00 0.00 C ATOM 94 C ARG A 22 -4.198 -0.688 -11.874 1.00 0.00 C ATOM 95 O ARG A 22 -4.397 -0.327 -13.034 1.00 0.00 O ATOM 96 CB ARG A 22 -2.783 -2.748 -11.779 1.00 0.00 C ATOM 97 CG ARG A 22 -2.515 -3.029 -13.248 1.00 0.00 C ATOM 98 CD ARG A 22 -1.025 -3.050 -13.546 1.00 0.00 C ATOM 99 NE ARG A 22 -0.661 -4.153 -14.433 1.00 0.00 N ATOM 100 CZ ARG A 22 0.580 -4.614 -14.570 1.00 0.00 C ATOM 101 NH1 ARG A 22 1.578 -4.069 -13.887 1.00 0.00 N ATOM 102 NH2 ARG A 22 0.824 -5.622 -15.398 1.00 0.00 N ATOM 0 H ARG A 22 -4.917 -3.165 -13.197 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.399 -2.261 -10.447 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.030 -2.053 -11.407 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.669 -3.673 -11.214 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.956 -3.987 -13.523 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.999 -2.268 -13.860 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.733 -2.105 -14.004 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.469 -3.137 -12.612 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.401 -4.595 -14.979 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.397 -3.292 -13.252 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.527 -4.427 -13.997 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.061 -6.042 -15.928 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.775 -5.976 -15.504 1.00 0.00 H new ATOM 116 N LEU A 23 -3.997 0.165 -10.874 1.00 0.00 N ATOM 117 CA LEU A 23 -4.000 1.610 -11.089 1.00 0.00 C ATOM 118 C LEU A 23 -2.667 2.232 -10.681 1.00 0.00 C ATOM 119 O LEU A 23 -1.941 1.686 -9.850 1.00 0.00 O ATOM 120 CB LEU A 23 -5.136 2.269 -10.300 1.00 0.00 C ATOM 121 CG LEU A 23 -6.348 1.378 -10.035 1.00 0.00 C ATOM 122 CD1 LEU A 23 -7.184 1.938 -8.894 1.00 0.00 C ATOM 123 CD2 LEU A 23 -7.189 1.233 -11.295 1.00 0.00 C ATOM 0 H LEU A 23 -3.830 -0.118 -9.908 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.153 1.784 -12.154 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.741 2.611 -9.343 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.468 3.154 -10.843 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.992 0.390 -9.745 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.043 1.290 -8.720 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.578 1.988 -7.989 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.531 2.938 -9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.048 0.595 -11.088 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.536 2.215 -11.616 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.586 0.785 -12.085 1.00 0.00 H new ATOM 135 N ASN A 24 -2.361 3.386 -11.267 1.00 0.00 N ATOM 136 CA ASN A 24 -1.125 4.102 -10.964 1.00 0.00 C ATOM 137 C ASN A 24 -1.432 5.366 -10.171 1.00 0.00 C ATOM 138 O ASN A 24 -2.315 6.139 -10.544 1.00 0.00 O ATOM 139 CB ASN A 24 -0.381 4.461 -12.252 1.00 0.00 C ATOM 140 CG ASN A 24 -0.404 3.339 -13.274 1.00 0.00 C ATOM 141 OD1 ASN A 24 -0.814 2.219 -12.975 1.00 0.00 O ATOM 142 ND2 ASN A 24 0.040 3.638 -14.490 1.00 0.00 N ATOM 0 H ASN A 24 -2.954 3.847 -11.957 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.488 3.451 -10.365 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.829 5.354 -12.689 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.653 4.708 -12.013 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.050 2.925 -15.219 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.371 4.581 -14.694 1.00 0.00 H new ATOM 149 N ILE A 25 -0.714 5.572 -9.071 1.00 0.00 N ATOM 150 CA ILE A 25 -0.943 6.744 -8.235 1.00 0.00 C ATOM 151 C ILE A 25 0.364 7.374 -7.758 1.00 0.00 C ATOM 152 O ILE A 25 1.206 6.707 -7.158 1.00 0.00 O ATOM 153 CB ILE A 25 -1.805 6.385 -7.009 1.00 0.00 C ATOM 154 CG1 ILE A 25 -3.114 5.734 -7.463 1.00 0.00 C ATOM 155 CG2 ILE A 25 -2.085 7.622 -6.169 1.00 0.00 C ATOM 156 CD1 ILE A 25 -3.182 4.249 -7.181 1.00 0.00 C ATOM 0 H ILE A 25 0.024 4.950 -8.741 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.470 7.469 -8.855 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.256 5.675 -6.391 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.948 6.228 -6.965 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.240 5.898 -8.533 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.695 7.347 -5.308 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.143 8.049 -5.825 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.618 8.358 -6.771 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.137 3.856 -7.529 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.369 3.742 -7.701 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.089 4.078 -6.109 1.00 0.00 H new ATOM 168 N GLN A 26 0.510 8.669 -8.016 1.00 0.00 N ATOM 169 CA GLN A 26 1.697 9.410 -7.601 1.00 0.00 C ATOM 170 C GLN A 26 1.305 10.502 -6.613 1.00 0.00 C ATOM 171 O GLN A 26 0.448 11.336 -6.908 1.00 0.00 O ATOM 172 CB GLN A 26 2.400 10.031 -8.812 1.00 0.00 C ATOM 173 CG GLN A 26 2.427 9.128 -10.033 1.00 0.00 C ATOM 174 CD GLN A 26 1.458 9.578 -11.107 1.00 0.00 C ATOM 175 OE1 GLN A 26 0.321 9.112 -11.170 1.00 0.00 O ATOM 176 NE2 GLN A 26 1.907 10.491 -11.961 1.00 0.00 N ATOM 0 H GLN A 26 -0.182 9.230 -8.513 1.00 0.00 H new ATOM 0 HA GLN A 26 2.387 8.717 -7.120 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.900 10.964 -9.072 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.424 10.284 -8.536 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.436 9.108 -10.444 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.184 8.109 -9.733 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.858 10.850 -11.871 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.301 10.833 -12.707 1.00 0.00 H new ATOM 185 N LEU A 27 1.918 10.487 -5.437 1.00 0.00 N ATOM 186 CA LEU A 27 1.605 11.473 -4.410 1.00 0.00 C ATOM 187 C LEU A 27 2.788 12.378 -4.109 1.00 0.00 C ATOM 188 O LEU A 27 3.906 11.913 -3.887 1.00 0.00 O ATOM 189 CB LEU A 27 1.151 10.773 -3.132 1.00 0.00 C ATOM 190 CG LEU A 27 0.149 9.644 -3.351 1.00 0.00 C ATOM 191 CD1 LEU A 27 -0.021 8.824 -2.082 1.00 0.00 C ATOM 192 CD2 LEU A 27 -1.186 10.205 -3.815 1.00 0.00 C ATOM 0 H LEU A 27 2.631 9.808 -5.171 1.00 0.00 H new ATOM 0 HA LEU A 27 0.799 12.098 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.027 10.371 -2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.706 11.512 -2.466 1.00 0.00 H new ATOM 0 HG LEU A 27 0.534 8.985 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.740 8.024 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.938 8.393 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.384 9.466 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.891 9.388 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.577 10.886 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.048 10.744 -4.752 1.00 0.00 H new ATOM 204 N LYS A 28 2.523 13.676 -4.093 1.00 0.00 N ATOM 205 CA LYS A 28 3.547 14.670 -3.808 1.00 0.00 C ATOM 206 C LYS A 28 3.700 14.857 -2.304 1.00 0.00 C ATOM 207 O LYS A 28 2.796 15.359 -1.636 1.00 0.00 O ATOM 208 CB LYS A 28 3.187 16.004 -4.465 1.00 0.00 C ATOM 209 CG LYS A 28 4.348 16.980 -4.530 1.00 0.00 C ATOM 210 CD LYS A 28 5.570 16.345 -5.170 1.00 0.00 C ATOM 211 CE LYS A 28 6.378 17.362 -5.958 1.00 0.00 C ATOM 212 NZ LYS A 28 5.699 17.749 -7.225 1.00 0.00 N ATOM 0 H LYS A 28 1.599 14.068 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 28 4.494 14.318 -4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.824 15.816 -5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.367 16.463 -3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.053 17.861 -5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.597 17.319 -3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.197 15.901 -4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.257 15.537 -5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.539 18.250 -5.347 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.361 16.948 -6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.380 18.220 -7.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.326 16.898 -7.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.915 18.400 -7.014 1.00 0.00 H new ATOM 226 N LYS A 29 4.847 14.444 -1.774 1.00 0.00 N ATOM 227 CA LYS A 29 5.114 14.562 -0.344 1.00 0.00 C ATOM 228 C LYS A 29 4.820 15.971 0.165 1.00 0.00 C ATOM 229 O LYS A 29 5.495 16.930 -0.207 1.00 0.00 O ATOM 230 CB LYS A 29 6.568 14.191 -0.046 1.00 0.00 C ATOM 231 CG LYS A 29 6.737 12.784 0.498 1.00 0.00 C ATOM 232 CD LYS A 29 6.935 12.789 2.005 1.00 0.00 C ATOM 233 CE LYS A 29 5.640 13.089 2.743 1.00 0.00 C ATOM 234 NZ LYS A 29 5.128 11.897 3.475 1.00 0.00 N ATOM 0 H LYS A 29 5.606 14.025 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 29 4.451 13.871 0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.154 14.291 -0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.975 14.901 0.674 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.859 12.188 0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.593 12.308 0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.320 11.820 2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.686 13.533 2.271 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.804 13.904 3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.887 13.429 2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.560 12.207 4.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.536 11.326 2.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.929 11.324 3.809 1.00 0.00 H new ATOM 248 N GLY A 30 3.809 16.081 1.020 1.00 0.00 N ATOM 249 CA GLY A 30 3.439 17.372 1.573 1.00 0.00 C ATOM 250 C GLY A 30 3.016 17.274 3.025 1.00 0.00 C ATOM 251 O GLY A 30 1.861 17.539 3.358 1.00 0.00 O ATOM 0 H GLY A 30 3.238 15.299 1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.283 18.057 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.624 17.796 0.987 1.00 0.00 H new ATOM 255 N THR A 31 3.953 16.884 3.886 1.00 0.00 N ATOM 256 CA THR A 31 3.690 16.740 5.317 1.00 0.00 C ATOM 257 C THR A 31 2.423 15.924 5.569 1.00 0.00 C ATOM 258 O THR A 31 1.783 15.445 4.633 1.00 0.00 O ATOM 259 CB THR A 31 3.580 18.114 5.988 1.00 0.00 C ATOM 260 OG1 THR A 31 3.569 17.982 7.398 1.00 0.00 O ATOM 261 CG2 THR A 31 2.340 18.889 5.593 1.00 0.00 C ATOM 0 H THR A 31 4.910 16.660 3.615 1.00 0.00 H new ATOM 0 HA THR A 31 4.531 16.203 5.756 1.00 0.00 H new ATOM 0 HB THR A 31 4.454 18.667 5.644 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.500 18.869 7.809 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.332 19.850 6.108 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.342 19.054 4.516 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.452 18.321 5.871 1.00 0.00 H new ATOM 269 N GLU A 32 2.069 15.763 6.842 1.00 0.00 N ATOM 270 CA GLU A 32 0.882 15.002 7.216 1.00 0.00 C ATOM 271 C GLU A 32 0.928 13.593 6.630 1.00 0.00 C ATOM 272 O GLU A 32 -0.102 13.032 6.255 1.00 0.00 O ATOM 273 CB GLU A 32 -0.381 15.721 6.740 1.00 0.00 C ATOM 274 CG GLU A 32 -0.527 17.128 7.298 1.00 0.00 C ATOM 275 CD GLU A 32 -1.956 17.457 7.684 1.00 0.00 C ATOM 276 OE1 GLU A 32 -2.878 17.067 6.937 1.00 0.00 O ATOM 277 OE2 GLU A 32 -2.152 18.104 8.734 1.00 0.00 O ATOM 0 H GLU A 32 2.588 16.150 7.631 1.00 0.00 H new ATOM 0 HA GLU A 32 0.861 14.923 8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.373 15.770 5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.253 15.133 7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.116 17.237 8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.180 17.847 6.556 1.00 0.00 H new ATOM 284 N GLY A 33 2.129 13.028 6.553 1.00 0.00 N ATOM 285 CA GLY A 33 2.285 11.691 6.010 1.00 0.00 C ATOM 286 C GLY A 33 1.951 11.626 4.531 1.00 0.00 C ATOM 287 O GLY A 33 2.156 12.595 3.800 1.00 0.00 O ATOM 0 H GLY A 33 2.996 13.472 6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.311 11.357 6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.640 11.002 6.556 1.00 0.00 H new ATOM 291 N LEU A 34 1.430 10.486 4.091 1.00 0.00 N ATOM 292 CA LEU A 34 1.064 10.303 2.692 1.00 0.00 C ATOM 293 C LEU A 34 -0.450 10.283 2.532 1.00 0.00 C ATOM 294 O LEU A 34 -0.983 10.715 1.509 1.00 0.00 O ATOM 295 CB LEU A 34 1.669 9.007 2.147 1.00 0.00 C ATOM 296 CG LEU A 34 3.056 9.154 1.521 1.00 0.00 C ATOM 297 CD1 LEU A 34 3.521 7.830 0.935 1.00 0.00 C ATOM 298 CD2 LEU A 34 3.048 10.237 0.453 1.00 0.00 C ATOM 0 H LEU A 34 1.252 9.675 4.683 1.00 0.00 H new ATOM 0 HA LEU A 34 1.462 11.143 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.728 8.282 2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.992 8.594 1.400 1.00 0.00 H new ATOM 0 HG LEU A 34 3.756 9.448 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.510 7.955 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.567 7.079 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.819 7.506 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.044 10.327 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.334 9.973 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.760 11.188 0.901 1.00 0.00 H new ATOM 310 N GLY A 35 -1.140 9.785 3.553 1.00 0.00 N ATOM 311 CA GLY A 35 -2.588 9.724 3.510 1.00 0.00 C ATOM 312 C GLY A 35 -3.120 8.309 3.429 1.00 0.00 C ATOM 313 O GLY A 35 -4.307 8.103 3.174 1.00 0.00 O ATOM 0 H GLY A 35 -0.721 9.423 4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.993 10.208 4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.944 10.290 2.649 1.00 0.00 H new ATOM 317 N PHE A 36 -2.250 7.327 3.642 1.00 0.00 N ATOM 318 CA PHE A 36 -2.663 5.932 3.586 1.00 0.00 C ATOM 319 C PHE A 36 -1.655 5.021 4.277 1.00 0.00 C ATOM 320 O PHE A 36 -0.448 5.137 4.065 1.00 0.00 O ATOM 321 CB PHE A 36 -2.851 5.494 2.130 1.00 0.00 C ATOM 322 CG PHE A 36 -1.568 5.423 1.351 1.00 0.00 C ATOM 323 CD1 PHE A 36 -0.947 6.580 0.905 1.00 0.00 C ATOM 324 CD2 PHE A 36 -0.984 4.201 1.063 1.00 0.00 C ATOM 325 CE1 PHE A 36 0.233 6.515 0.188 1.00 0.00 C ATOM 326 CE2 PHE A 36 0.195 4.131 0.345 1.00 0.00 C ATOM 327 CZ PHE A 36 0.804 5.289 -0.093 1.00 0.00 C ATOM 0 H PHE A 36 -1.263 7.471 3.853 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.612 5.846 4.115 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.331 4.515 2.113 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.528 6.190 1.635 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.390 7.541 1.120 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.456 3.291 1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.709 7.423 -0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.639 3.171 0.127 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.725 5.237 -0.654 1.00 0.00 H new ATOM 337 N SER A 37 -2.164 4.104 5.091 1.00 0.00 N ATOM 338 CA SER A 37 -1.320 3.155 5.802 1.00 0.00 C ATOM 339 C SER A 37 -1.455 1.775 5.173 1.00 0.00 C ATOM 340 O SER A 37 -2.562 1.331 4.868 1.00 0.00 O ATOM 341 CB SER A 37 -1.704 3.100 7.282 1.00 0.00 C ATOM 342 OG SER A 37 -2.139 4.368 7.744 1.00 0.00 O ATOM 0 H SER A 37 -3.162 3.998 5.275 1.00 0.00 H new ATOM 0 HA SER A 37 -0.283 3.482 5.728 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.496 2.365 7.428 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.849 2.769 7.871 1.00 0.00 H new ATOM 0 HG SER A 37 -3.115 4.423 7.678 1.00 0.00 H new ATOM 348 N ILE A 38 -0.330 1.103 4.962 1.00 0.00 N ATOM 349 CA ILE A 38 -0.345 -0.217 4.349 1.00 0.00 C ATOM 350 C ILE A 38 -0.233 -1.329 5.378 1.00 0.00 C ATOM 351 O ILE A 38 0.532 -1.237 6.338 1.00 0.00 O ATOM 352 CB ILE A 38 0.795 -0.384 3.331 1.00 0.00 C ATOM 353 CG1 ILE A 38 2.127 0.006 3.967 1.00 0.00 C ATOM 354 CG2 ILE A 38 0.522 0.450 2.090 1.00 0.00 C ATOM 355 CD1 ILE A 38 3.331 -0.334 3.114 1.00 0.00 C ATOM 0 H ILE A 38 0.598 1.449 5.205 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.306 -0.294 3.841 1.00 0.00 H new ATOM 0 HB ILE A 38 0.851 -1.430 3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.125 1.078 4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.221 -0.497 4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.338 0.321 1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.413 0.126 1.633 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.445 1.501 2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.241 -0.028 3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.359 -1.409 2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.261 0.190 2.161 1.00 0.00 H new ATOM 367 N THR A 39 -0.993 -2.388 5.148 1.00 0.00 N ATOM 368 CA THR A 39 -0.983 -3.551 6.030 1.00 0.00 C ATOM 369 C THR A 39 -0.227 -4.704 5.376 1.00 0.00 C ATOM 370 O THR A 39 0.064 -4.666 4.180 1.00 0.00 O ATOM 371 CB THR A 39 -2.412 -3.990 6.370 1.00 0.00 C ATOM 372 OG1 THR A 39 -2.432 -5.335 6.815 1.00 0.00 O ATOM 373 CG2 THR A 39 -3.372 -3.880 5.204 1.00 0.00 C ATOM 0 H THR A 39 -1.629 -2.469 4.354 1.00 0.00 H new ATOM 0 HA THR A 39 -0.477 -3.272 6.954 1.00 0.00 H new ATOM 0 HB THR A 39 -2.740 -3.307 7.154 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.352 -5.595 7.028 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.364 -4.207 5.517 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.421 -2.844 4.869 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.024 -4.510 4.385 1.00 0.00 H new ATOM 381 N SER A 40 0.088 -5.725 6.164 1.00 0.00 N ATOM 382 CA SER A 40 0.812 -6.884 5.652 1.00 0.00 C ATOM 383 C SER A 40 0.007 -8.163 5.857 1.00 0.00 C ATOM 384 O SER A 40 -0.388 -8.488 6.977 1.00 0.00 O ATOM 385 CB SER A 40 2.173 -7.006 6.339 1.00 0.00 C ATOM 386 OG SER A 40 2.041 -6.935 7.748 1.00 0.00 O ATOM 0 H SER A 40 -0.145 -5.775 7.156 1.00 0.00 H new ATOM 0 HA SER A 40 0.966 -6.742 4.582 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.641 -7.951 6.062 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.832 -6.210 5.992 1.00 0.00 H new ATOM 0 HG SER A 40 1.848 -7.827 8.104 1.00 0.00 H new ATOM 392 N ARG A 41 -0.232 -8.885 4.766 1.00 0.00 N ATOM 393 CA ARG A 41 -0.990 -10.130 4.825 1.00 0.00 C ATOM 394 C ARG A 41 -0.334 -11.126 5.778 1.00 0.00 C ATOM 395 O ARG A 41 -1.002 -11.998 6.333 1.00 0.00 O ATOM 396 CB ARG A 41 -1.105 -10.745 3.429 1.00 0.00 C ATOM 397 CG ARG A 41 -2.377 -11.552 3.223 1.00 0.00 C ATOM 398 CD ARG A 41 -2.148 -13.031 3.493 1.00 0.00 C ATOM 399 NE ARG A 41 -2.929 -13.879 2.595 1.00 0.00 N ATOM 400 CZ ARG A 41 -2.967 -15.207 2.676 1.00 0.00 C ATOM 401 NH1 ARG A 41 -2.271 -15.843 3.611 1.00 0.00 N ATOM 402 NH2 ARG A 41 -3.704 -15.902 1.819 1.00 0.00 N ATOM 0 H ARG A 41 0.088 -8.629 3.832 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.987 -9.901 5.200 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.065 -9.949 2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.243 -11.389 3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.158 -11.177 3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.733 -11.418 2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.089 -13.261 3.378 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.413 -13.256 4.526 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.477 -13.427 1.863 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.703 -15.314 4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.304 -16.861 3.668 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.241 -15.419 1.099 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.734 -16.920 1.880 1.00 0.00 H new ATOM 416 N ASP A 42 0.975 -10.990 5.963 1.00 0.00 N ATOM 417 CA ASP A 42 1.719 -11.879 6.849 1.00 0.00 C ATOM 418 C ASP A 42 1.651 -13.321 6.354 1.00 0.00 C ATOM 419 O ASP A 42 1.046 -14.182 6.996 1.00 0.00 O ATOM 420 CB ASP A 42 1.173 -11.789 8.275 1.00 0.00 C ATOM 421 CG ASP A 42 1.835 -10.684 9.078 1.00 0.00 C ATOM 422 OD1 ASP A 42 1.480 -9.506 8.870 1.00 0.00 O ATOM 423 OD2 ASP A 42 2.708 -11.001 9.913 1.00 0.00 O ATOM 0 H ASP A 42 1.543 -10.273 5.511 1.00 0.00 H new ATOM 0 HA ASP A 42 2.762 -11.562 6.848 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.098 -11.615 8.239 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.325 -12.743 8.780 1.00 0.00 H new ATOM 428 N VAL A 43 2.275 -13.577 5.209 1.00 0.00 N ATOM 429 CA VAL A 43 2.286 -14.913 4.628 1.00 0.00 C ATOM 430 C VAL A 43 3.539 -15.675 5.040 1.00 0.00 C ATOM 431 O VAL A 43 3.473 -16.840 5.434 1.00 0.00 O ATOM 432 CB VAL A 43 2.192 -14.853 3.086 1.00 0.00 C ATOM 433 CG1 VAL A 43 3.544 -14.548 2.450 1.00 0.00 C ATOM 434 CG2 VAL A 43 1.616 -16.149 2.538 1.00 0.00 C ATOM 0 H VAL A 43 2.779 -12.876 4.666 1.00 0.00 H new ATOM 0 HA VAL A 43 1.412 -15.441 5.008 1.00 0.00 H new ATOM 0 HB VAL A 43 1.520 -14.036 2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.437 -14.514 1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.906 -13.585 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.257 -15.327 2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.557 -16.090 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.260 -16.982 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.618 -16.306 2.948 1.00 0.00 H new ATOM 444 N THR A 44 4.676 -15.004 4.946 1.00 0.00 N ATOM 445 CA THR A 44 5.955 -15.604 5.307 1.00 0.00 C ATOM 446 C THR A 44 6.688 -14.749 6.337 1.00 0.00 C ATOM 447 O THR A 44 6.300 -13.612 6.605 1.00 0.00 O ATOM 448 CB THR A 44 6.830 -15.789 4.065 1.00 0.00 C ATOM 449 OG1 THR A 44 8.180 -16.012 4.432 1.00 0.00 O ATOM 450 CG2 THR A 44 6.801 -14.598 3.129 1.00 0.00 C ATOM 0 H THR A 44 4.741 -14.039 4.621 1.00 0.00 H new ATOM 0 HA THR A 44 5.754 -16.580 5.748 1.00 0.00 H new ATOM 0 HB THR A 44 6.413 -16.651 3.544 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.723 -16.130 3.625 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.442 -14.795 2.270 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.780 -14.428 2.788 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.160 -13.713 3.655 1.00 0.00 H new ATOM 458 N ILE A 45 7.749 -15.307 6.910 1.00 0.00 N ATOM 459 CA ILE A 45 8.539 -14.600 7.911 1.00 0.00 C ATOM 460 C ILE A 45 9.116 -13.307 7.349 1.00 0.00 C ATOM 461 O ILE A 45 8.745 -12.212 7.771 1.00 0.00 O ATOM 462 CB ILE A 45 9.688 -15.478 8.438 1.00 0.00 C ATOM 463 CG1 ILE A 45 9.180 -16.885 8.745 1.00 0.00 C ATOM 464 CG2 ILE A 45 10.314 -14.849 9.674 1.00 0.00 C ATOM 465 CD1 ILE A 45 9.745 -17.946 7.826 1.00 0.00 C ATOM 0 H ILE A 45 8.082 -16.248 6.698 1.00 0.00 H new ATOM 0 HA ILE A 45 7.865 -14.362 8.734 1.00 0.00 H new ATOM 0 HB ILE A 45 10.455 -15.550 7.667 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.432 -17.137 9.775 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.093 -16.894 8.672 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.125 -15.483 10.034 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.708 -13.864 9.421 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.559 -14.749 10.453 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.341 -18.920 8.103 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.471 -17.719 6.796 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.831 -17.965 7.917 1.00 0.00 H new ATOM 477 N GLY A 46 10.025 -13.445 6.393 1.00 0.00 N ATOM 478 CA GLY A 46 10.644 -12.281 5.785 1.00 0.00 C ATOM 479 C GLY A 46 10.974 -12.499 4.322 1.00 0.00 C ATOM 480 O GLY A 46 12.095 -12.234 3.885 1.00 0.00 O ATOM 0 H GLY A 46 10.346 -14.341 6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.975 -11.426 5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.557 -12.033 6.327 1.00 0.00 H new ATOM 484 N GLY A 47 9.997 -12.984 3.563 1.00 0.00 N ATOM 485 CA GLY A 47 10.209 -13.230 2.148 1.00 0.00 C ATOM 486 C GLY A 47 9.375 -12.317 1.271 1.00 0.00 C ATOM 487 O GLY A 47 9.704 -11.146 1.091 1.00 0.00 O ATOM 0 H GLY A 47 9.062 -13.211 3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.264 -13.091 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.965 -14.268 1.922 1.00 0.00 H new ATOM 491 N SER A 48 8.290 -12.856 0.723 1.00 0.00 N ATOM 492 CA SER A 48 7.406 -12.083 -0.141 1.00 0.00 C ATOM 493 C SER A 48 5.963 -12.163 0.348 1.00 0.00 C ATOM 494 O SER A 48 5.299 -13.186 0.184 1.00 0.00 O ATOM 495 CB SER A 48 7.497 -12.589 -1.581 1.00 0.00 C ATOM 496 OG SER A 48 8.715 -13.277 -1.805 1.00 0.00 O ATOM 0 H SER A 48 8.002 -13.825 0.862 1.00 0.00 H new ATOM 0 HA SER A 48 7.725 -11.041 -0.108 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.658 -13.252 -1.790 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.419 -11.748 -2.271 1.00 0.00 H new ATOM 0 HG SER A 48 8.747 -13.592 -2.733 1.00 0.00 H new ATOM 502 N ALA A 49 5.484 -11.078 0.947 1.00 0.00 N ATOM 503 CA ALA A 49 4.122 -11.029 1.458 1.00 0.00 C ATOM 504 C ALA A 49 3.313 -9.933 0.767 1.00 0.00 C ATOM 505 O ALA A 49 3.821 -8.839 0.524 1.00 0.00 O ATOM 506 CB ALA A 49 4.126 -10.812 2.962 1.00 0.00 C ATOM 0 H ALA A 49 6.020 -10.222 1.090 1.00 0.00 H new ATOM 0 HA ALA A 49 3.648 -11.987 1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.100 -10.778 3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.657 -11.632 3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.625 -9.871 3.192 1.00 0.00 H new ATOM 512 N PRO A 50 2.039 -10.212 0.436 1.00 0.00 N ATOM 513 CA PRO A 50 1.164 -9.242 -0.233 1.00 0.00 C ATOM 514 C PRO A 50 0.853 -8.033 0.645 1.00 0.00 C ATOM 515 O PRO A 50 0.302 -8.173 1.737 1.00 0.00 O ATOM 516 CB PRO A 50 -0.120 -10.035 -0.516 1.00 0.00 C ATOM 517 CG PRO A 50 0.250 -11.470 -0.338 1.00 0.00 C ATOM 518 CD PRO A 50 1.349 -11.488 0.681 1.00 0.00 C ATOM 0 HA PRO A 50 1.633 -8.835 -1.128 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.918 -9.748 0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.484 -9.846 -1.526 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.605 -12.055 -0.000 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.583 -11.907 -1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.958 -11.548 1.697 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.014 -12.341 0.544 1.00 0.00 H new ATOM 526 N ILE A 51 1.203 -6.848 0.155 1.00 0.00 N ATOM 527 CA ILE A 51 0.955 -5.613 0.888 1.00 0.00 C ATOM 528 C ILE A 51 -0.293 -4.910 0.362 1.00 0.00 C ATOM 529 O ILE A 51 -0.484 -4.792 -0.850 1.00 0.00 O ATOM 530 CB ILE A 51 2.154 -4.651 0.787 1.00 0.00 C ATOM 531 CG1 ILE A 51 3.450 -5.374 1.176 1.00 0.00 C ATOM 532 CG2 ILE A 51 1.927 -3.419 1.657 1.00 0.00 C ATOM 533 CD1 ILE A 51 3.759 -5.341 2.659 1.00 0.00 C ATOM 0 H ILE A 51 1.660 -6.718 -0.748 1.00 0.00 H new ATOM 0 HA ILE A 51 0.806 -5.885 1.933 1.00 0.00 H new ATOM 0 HB ILE A 51 2.250 -4.317 -0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.384 -6.413 0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.281 -4.924 0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.784 -2.751 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.028 -2.899 1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.806 -3.725 2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.691 -5.874 2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.860 -4.306 2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.949 -5.819 3.210 1.00 0.00 H new ATOM 545 N TYR A 52 -1.141 -4.447 1.275 1.00 0.00 N ATOM 546 CA TYR A 52 -2.369 -3.758 0.896 1.00 0.00 C ATOM 547 C TYR A 52 -2.533 -2.459 1.677 1.00 0.00 C ATOM 548 O TYR A 52 -1.752 -2.164 2.581 1.00 0.00 O ATOM 549 CB TYR A 52 -3.580 -4.662 1.134 1.00 0.00 C ATOM 550 CG TYR A 52 -3.422 -6.054 0.568 1.00 0.00 C ATOM 551 CD1 TYR A 52 -3.682 -6.314 -0.772 1.00 0.00 C ATOM 552 CD2 TYR A 52 -3.013 -7.109 1.373 1.00 0.00 C ATOM 553 CE1 TYR A 52 -3.539 -7.584 -1.292 1.00 0.00 C ATOM 554 CE2 TYR A 52 -2.868 -8.383 0.860 1.00 0.00 C ATOM 555 CZ TYR A 52 -3.133 -8.616 -0.474 1.00 0.00 C ATOM 556 OH TYR A 52 -2.989 -9.884 -0.989 1.00 0.00 O ATOM 0 H TYR A 52 -1.000 -4.536 2.281 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.304 -3.516 -0.165 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.763 -4.734 2.206 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.461 -4.198 0.691 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.001 -5.509 -1.417 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.805 -6.930 2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.744 -7.769 -2.336 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.549 -9.193 1.500 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.739 -9.826 -1.935 1.00 0.00 H new ATOM 566 N VAL A 53 -3.557 -1.689 1.323 1.00 0.00 N ATOM 567 CA VAL A 53 -3.830 -0.423 1.993 1.00 0.00 C ATOM 568 C VAL A 53 -4.709 -0.636 3.220 1.00 0.00 C ATOM 569 O VAL A 53 -5.929 -0.763 3.108 1.00 0.00 O ATOM 570 CB VAL A 53 -4.518 0.580 1.048 1.00 0.00 C ATOM 571 CG1 VAL A 53 -4.650 1.941 1.715 1.00 0.00 C ATOM 572 CG2 VAL A 53 -3.749 0.693 -0.261 1.00 0.00 C ATOM 0 H VAL A 53 -4.212 -1.920 0.576 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.868 -0.013 2.301 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.520 0.212 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.138 2.635 1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.246 1.845 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.660 2.319 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.249 1.406 -0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.734 1.036 -0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.712 -0.282 -0.747 1.00 0.00 H new ATOM 582 N LYS A 54 -4.079 -0.680 4.388 1.00 0.00 N ATOM 583 CA LYS A 54 -4.796 -0.882 5.640 1.00 0.00 C ATOM 584 C LYS A 54 -5.865 0.186 5.837 1.00 0.00 C ATOM 585 O LYS A 54 -6.914 -0.075 6.425 1.00 0.00 O ATOM 586 CB LYS A 54 -3.823 -0.862 6.817 1.00 0.00 C ATOM 587 CG LYS A 54 -4.461 -1.242 8.144 1.00 0.00 C ATOM 588 CD LYS A 54 -5.235 -2.548 8.041 1.00 0.00 C ATOM 589 CE LYS A 54 -5.302 -3.265 9.380 1.00 0.00 C ATOM 590 NZ LYS A 54 -6.654 -3.166 9.997 1.00 0.00 N ATOM 0 H LYS A 54 -3.070 -0.578 4.494 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.284 -1.855 5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.001 -1.548 6.609 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.392 0.135 6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.688 -1.336 8.906 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.132 -0.446 8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.245 -2.346 7.685 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.761 -3.196 7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.042 -4.315 9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.562 -2.839 10.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.657 -3.668 10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.893 -2.166 10.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.357 -3.596 9.363 1.00 0.00 H new ATOM 604 N ASN A 55 -5.594 1.391 5.348 1.00 0.00 N ATOM 605 CA ASN A 55 -6.545 2.492 5.486 1.00 0.00 C ATOM 606 C ASN A 55 -6.064 3.757 4.782 1.00 0.00 C ATOM 607 O ASN A 55 -4.864 3.999 4.659 1.00 0.00 O ATOM 608 CB ASN A 55 -6.794 2.791 6.965 1.00 0.00 C ATOM 609 CG ASN A 55 -5.538 3.237 7.686 1.00 0.00 C ATOM 610 OD1 ASN A 55 -5.051 4.349 7.481 1.00 0.00 O ATOM 611 ND2 ASN A 55 -5.004 2.367 8.537 1.00 0.00 N ATOM 0 H ASN A 55 -4.733 1.631 4.857 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.474 2.178 5.010 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.554 3.567 7.053 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.191 1.900 7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.157 2.610 9.051 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.441 1.456 8.676 1.00 0.00 H new ATOM 618 N ILE A 56 -7.022 4.567 4.336 1.00 0.00 N ATOM 619 CA ILE A 56 -6.721 5.823 3.658 1.00 0.00 C ATOM 620 C ILE A 56 -7.019 7.003 4.579 1.00 0.00 C ATOM 621 O ILE A 56 -8.174 7.398 4.745 1.00 0.00 O ATOM 622 CB ILE A 56 -7.536 5.973 2.357 1.00 0.00 C ATOM 623 CG1 ILE A 56 -7.297 4.775 1.435 1.00 0.00 C ATOM 624 CG2 ILE A 56 -7.175 7.272 1.648 1.00 0.00 C ATOM 625 CD1 ILE A 56 -5.878 4.682 0.919 1.00 0.00 C ATOM 0 H ILE A 56 -8.019 4.373 4.434 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.662 5.812 3.402 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.595 6.004 2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.540 3.859 1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.980 4.837 0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.759 7.361 0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.394 8.116 2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.113 7.269 1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.782 3.810 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.637 5.582 0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.191 4.588 1.760 1.00 0.00 H new ATOM 637 N LEU A 57 -5.974 7.548 5.189 1.00 0.00 N ATOM 638 CA LEU A 57 -6.120 8.670 6.109 1.00 0.00 C ATOM 639 C LEU A 57 -6.847 9.843 5.450 1.00 0.00 C ATOM 640 O LEU A 57 -6.661 10.113 4.264 1.00 0.00 O ATOM 641 CB LEU A 57 -4.749 9.108 6.622 1.00 0.00 C ATOM 642 CG LEU A 57 -3.844 7.960 7.071 1.00 0.00 C ATOM 643 CD1 LEU A 57 -2.569 8.496 7.704 1.00 0.00 C ATOM 644 CD2 LEU A 57 -4.580 7.045 8.041 1.00 0.00 C ATOM 0 H LEU A 57 -5.013 7.230 5.063 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.726 8.340 6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.242 9.667 5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.890 9.792 7.459 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.570 7.378 6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.940 7.663 8.016 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.031 9.105 6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.822 9.105 8.572 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.919 6.234 8.349 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.887 7.616 8.917 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.461 6.629 7.552 1.00 0.00 H new ATOM 656 N PRO A 58 -7.697 10.554 6.218 1.00 0.00 N ATOM 657 CA PRO A 58 -8.466 11.695 5.707 1.00 0.00 C ATOM 658 C PRO A 58 -7.625 12.953 5.517 1.00 0.00 C ATOM 659 O PRO A 58 -8.017 13.865 4.789 1.00 0.00 O ATOM 660 CB PRO A 58 -9.517 11.919 6.795 1.00 0.00 C ATOM 661 CG PRO A 58 -8.868 11.441 8.046 1.00 0.00 C ATOM 662 CD PRO A 58 -7.984 10.291 7.644 1.00 0.00 C ATOM 0 HA PRO A 58 -8.876 11.490 4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.794 12.971 6.869 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.431 11.363 6.585 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.286 12.236 8.511 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.613 11.123 8.775 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.070 10.261 8.238 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.485 9.333 7.782 1.00 0.00 H new ATOM 670 N ARG A 59 -6.471 13.005 6.175 1.00 0.00 N ATOM 671 CA ARG A 59 -5.590 14.159 6.073 1.00 0.00 C ATOM 672 C ARG A 59 -4.261 13.777 5.435 1.00 0.00 C ATOM 673 O ARG A 59 -3.230 13.722 6.105 1.00 0.00 O ATOM 674 CB ARG A 59 -5.353 14.774 7.453 1.00 0.00 C ATOM 675 CG ARG A 59 -6.622 15.276 8.123 1.00 0.00 C ATOM 676 CD ARG A 59 -7.069 14.349 9.241 1.00 0.00 C ATOM 677 NE ARG A 59 -6.657 14.834 10.555 1.00 0.00 N ATOM 678 CZ ARG A 59 -7.011 14.261 11.703 1.00 0.00 C ATOM 679 NH1 ARG A 59 -7.781 13.181 11.703 1.00 0.00 N ATOM 680 NH2 ARG A 59 -6.593 14.766 12.854 1.00 0.00 N ATOM 0 H ARG A 59 -6.126 12.262 6.783 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.076 14.898 5.436 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.882 14.031 8.097 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.651 15.602 7.356 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.451 16.275 8.524 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.416 15.362 7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.154 14.249 9.216 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.653 13.355 9.075 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.062 15.662 10.596 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.105 12.786 10.820 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.049 12.746 12.586 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.999 15.595 12.861 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.865 14.326 13.733 1.00 0.00 H new ATOM 694 N GLY A 60 -4.293 13.514 4.134 1.00 0.00 N ATOM 695 CA GLY A 60 -3.086 13.142 3.425 1.00 0.00 C ATOM 696 C GLY A 60 -3.132 13.519 1.958 1.00 0.00 C ATOM 697 O GLY A 60 -4.123 14.076 1.485 1.00 0.00 O ATOM 0 H GLY A 60 -5.134 13.552 3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.230 13.626 3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.933 12.067 3.515 1.00 0.00 H new ATOM 701 N ALA A 61 -2.055 13.221 1.240 1.00 0.00 N ATOM 702 CA ALA A 61 -1.975 13.538 -0.180 1.00 0.00 C ATOM 703 C ALA A 61 -2.811 12.579 -1.017 1.00 0.00 C ATOM 704 O ALA A 61 -3.465 12.987 -1.972 1.00 0.00 O ATOM 705 CB ALA A 61 -0.525 13.520 -0.643 1.00 0.00 C ATOM 0 H ALA A 61 -1.227 12.761 1.618 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.381 14.540 -0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.479 13.758 -1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.046 14.259 -0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.102 12.530 -0.475 1.00 0.00 H new ATOM 711 N ALA A 62 -2.780 11.302 -0.663 1.00 0.00 N ATOM 712 CA ALA A 62 -3.535 10.295 -1.396 1.00 0.00 C ATOM 713 C ALA A 62 -5.018 10.640 -1.463 1.00 0.00 C ATOM 714 O ALA A 62 -5.597 10.704 -2.547 1.00 0.00 O ATOM 715 CB ALA A 62 -3.335 8.921 -0.770 1.00 0.00 C ATOM 0 H ALA A 62 -2.242 10.939 0.124 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.155 10.277 -2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.906 8.180 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.277 8.660 -0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.679 8.939 0.264 1.00 0.00 H new ATOM 721 N ILE A 63 -5.633 10.851 -0.305 1.00 0.00 N ATOM 722 CA ILE A 63 -7.047 11.176 -0.251 1.00 0.00 C ATOM 723 C ILE A 63 -7.362 12.485 -0.972 1.00 0.00 C ATOM 724 O ILE A 63 -8.364 12.579 -1.682 1.00 0.00 O ATOM 725 CB ILE A 63 -7.551 11.230 1.203 1.00 0.00 C ATOM 726 CG1 ILE A 63 -8.986 10.721 1.251 1.00 0.00 C ATOM 727 CG2 ILE A 63 -7.444 12.635 1.789 1.00 0.00 C ATOM 728 CD1 ILE A 63 -9.475 10.445 2.649 1.00 0.00 C ATOM 0 H ILE A 63 -5.174 10.802 0.604 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.574 10.376 -0.772 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.918 10.589 1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.641 11.456 0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.060 9.808 0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.810 12.630 2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.402 12.956 1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.043 13.324 1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.503 10.086 2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.843 9.687 3.113 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.433 11.362 3.237 1.00 0.00 H new ATOM 740 N GLN A 64 -6.512 13.495 -0.797 1.00 0.00 N ATOM 741 CA GLN A 64 -6.737 14.779 -1.449 1.00 0.00 C ATOM 742 C GLN A 64 -6.476 14.678 -2.951 1.00 0.00 C ATOM 743 O GLN A 64 -7.103 15.380 -3.745 1.00 0.00 O ATOM 744 CB GLN A 64 -5.873 15.876 -0.817 1.00 0.00 C ATOM 745 CG GLN A 64 -4.407 15.820 -1.208 1.00 0.00 C ATOM 746 CD GLN A 64 -3.936 17.086 -1.896 1.00 0.00 C ATOM 747 OE1 GLN A 64 -3.346 17.965 -1.269 1.00 0.00 O ATOM 748 NE2 GLN A 64 -4.196 17.185 -3.195 1.00 0.00 N ATOM 0 H GLN A 64 -5.674 13.449 -0.218 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.782 15.051 -1.304 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.276 16.848 -1.101 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.951 15.803 0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.804 15.650 -0.316 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.244 14.970 -1.870 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.688 16.432 -3.675 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.904 18.014 -3.712 1.00 0.00 H new ATOM 757 N ASP A 65 -5.555 13.798 -3.336 1.00 0.00 N ATOM 758 CA ASP A 65 -5.229 13.607 -4.744 1.00 0.00 C ATOM 759 C ASP A 65 -6.361 12.887 -5.469 1.00 0.00 C ATOM 760 O ASP A 65 -6.619 13.138 -6.645 1.00 0.00 O ATOM 761 CB ASP A 65 -3.927 12.816 -4.894 1.00 0.00 C ATOM 762 CG ASP A 65 -3.295 12.999 -6.261 1.00 0.00 C ATOM 763 OD1 ASP A 65 -3.338 14.130 -6.788 1.00 0.00 O ATOM 764 OD2 ASP A 65 -2.757 12.011 -6.802 1.00 0.00 O ATOM 0 H ASP A 65 -5.024 13.209 -2.695 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.097 14.591 -5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.222 13.132 -4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.127 11.757 -4.727 1.00 0.00 H new ATOM 769 N GLY A 66 -7.028 11.985 -4.755 1.00 0.00 N ATOM 770 CA GLY A 66 -8.121 11.236 -5.346 1.00 0.00 C ATOM 771 C GLY A 66 -7.641 10.257 -6.398 1.00 0.00 C ATOM 772 O GLY A 66 -7.998 10.371 -7.571 1.00 0.00 O ATOM 0 H GLY A 66 -6.831 11.760 -3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.653 10.694 -4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.833 11.929 -5.795 1.00 0.00 H new ATOM 776 N ARG A 67 -6.822 9.297 -5.980 1.00 0.00 N ATOM 777 CA ARG A 67 -6.285 8.300 -6.897 1.00 0.00 C ATOM 778 C ARG A 67 -6.281 6.913 -6.266 1.00 0.00 C ATOM 779 O ARG A 67 -7.008 6.019 -6.699 1.00 0.00 O ATOM 780 CB ARG A 67 -4.868 8.687 -7.323 1.00 0.00 C ATOM 781 CG ARG A 67 -4.800 9.988 -8.105 1.00 0.00 C ATOM 782 CD ARG A 67 -3.758 9.921 -9.209 1.00 0.00 C ATOM 783 NE ARG A 67 -4.316 9.408 -10.459 1.00 0.00 N ATOM 784 CZ ARG A 67 -3.579 8.973 -11.479 1.00 0.00 C ATOM 785 NH1 ARG A 67 -2.253 8.987 -11.401 1.00 0.00 N ATOM 786 NH2 ARG A 67 -4.168 8.524 -12.577 1.00 0.00 N ATOM 0 H ARG A 67 -6.516 9.189 -5.013 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.929 8.269 -7.776 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.242 8.774 -6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.449 7.885 -7.931 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.777 10.205 -8.538 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.562 10.808 -7.428 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.344 10.915 -9.378 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.934 9.283 -8.891 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.331 9.382 -10.556 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.795 9.332 -10.557 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.692 8.653 -12.185 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.186 8.512 -12.641 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.604 8.191 -13.359 1.00 0.00 H new ATOM 800 N LEU A 68 -5.451 6.736 -5.244 1.00 0.00 N ATOM 801 CA LEU A 68 -5.345 5.454 -4.557 1.00 0.00 C ATOM 802 C LEU A 68 -6.264 5.412 -3.335 1.00 0.00 C ATOM 803 O LEU A 68 -6.210 6.285 -2.471 1.00 0.00 O ATOM 804 CB LEU A 68 -3.884 5.191 -4.157 1.00 0.00 C ATOM 805 CG LEU A 68 -3.634 4.865 -2.681 1.00 0.00 C ATOM 806 CD1 LEU A 68 -4.195 3.495 -2.334 1.00 0.00 C ATOM 807 CD2 LEU A 68 -2.147 4.927 -2.370 1.00 0.00 C ATOM 0 H LEU A 68 -4.841 7.465 -4.873 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.666 4.666 -5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.508 4.364 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.294 6.069 -4.418 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.146 5.609 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.008 3.281 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.269 3.483 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.711 2.737 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.985 4.693 -1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.615 4.204 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.773 5.929 -2.581 1.00 0.00 H new ATOM 819 N LYS A 69 -7.110 4.386 -3.275 1.00 0.00 N ATOM 820 CA LYS A 69 -8.039 4.222 -2.165 1.00 0.00 C ATOM 821 C LYS A 69 -7.657 3.020 -1.306 1.00 0.00 C ATOM 822 O LYS A 69 -6.572 2.458 -1.454 1.00 0.00 O ATOM 823 CB LYS A 69 -9.458 4.053 -2.695 1.00 0.00 C ATOM 824 CG LYS A 69 -10.087 5.355 -3.151 1.00 0.00 C ATOM 825 CD LYS A 69 -11.304 5.092 -4.008 1.00 0.00 C ATOM 826 CE LYS A 69 -11.796 6.359 -4.691 1.00 0.00 C ATOM 827 NZ LYS A 69 -12.175 6.113 -6.111 1.00 0.00 N ATOM 0 H LYS A 69 -7.169 3.656 -3.985 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.990 5.116 -1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.446 3.352 -3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.079 3.611 -1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.370 5.951 -2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.359 5.938 -3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.063 4.342 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.101 4.678 -3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.655 6.753 -4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.017 7.120 -4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.505 7.001 -6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.349 5.761 -6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.937 5.406 -6.150 1.00 0.00 H new ATOM 841 N ALA A 70 -8.557 2.627 -0.409 1.00 0.00 N ATOM 842 CA ALA A 70 -8.309 1.490 0.471 1.00 0.00 C ATOM 843 C ALA A 70 -8.606 0.173 -0.239 1.00 0.00 C ATOM 844 O ALA A 70 -9.128 0.161 -1.353 1.00 0.00 O ATOM 845 CB ALA A 70 -9.148 1.608 1.735 1.00 0.00 C ATOM 0 H ALA A 70 -9.462 3.078 -0.273 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.254 1.498 0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.953 0.753 2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.888 2.527 2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.205 1.628 1.470 1.00 0.00 H new ATOM 851 N GLY A 71 -8.266 -0.935 0.413 1.00 0.00 N ATOM 852 CA GLY A 71 -8.503 -2.242 -0.172 1.00 0.00 C ATOM 853 C GLY A 71 -7.710 -2.458 -1.447 1.00 0.00 C ATOM 854 O GLY A 71 -8.101 -3.256 -2.300 1.00 0.00 O ATOM 0 H GLY A 71 -7.831 -0.951 1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.240 -3.014 0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.566 -2.354 -0.385 1.00 0.00 H new ATOM 858 N ASP A 72 -6.595 -1.748 -1.576 1.00 0.00 N ATOM 859 CA ASP A 72 -5.747 -1.865 -2.756 1.00 0.00 C ATOM 860 C ASP A 72 -4.510 -2.708 -2.456 1.00 0.00 C ATOM 861 O ASP A 72 -4.109 -2.848 -1.301 1.00 0.00 O ATOM 862 CB ASP A 72 -5.330 -0.478 -3.249 1.00 0.00 C ATOM 863 CG ASP A 72 -5.974 -0.117 -4.574 1.00 0.00 C ATOM 864 OD1 ASP A 72 -5.868 -0.921 -5.525 1.00 0.00 O ATOM 865 OD2 ASP A 72 -6.585 0.968 -4.661 1.00 0.00 O ATOM 0 H ASP A 72 -6.257 -1.085 -0.878 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.320 -2.362 -3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.602 0.267 -2.501 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.246 -0.444 -3.354 1.00 0.00 H new ATOM 870 N ARG A 73 -3.910 -3.266 -3.503 1.00 0.00 N ATOM 871 CA ARG A 73 -2.719 -4.095 -3.351 1.00 0.00 C ATOM 872 C ARG A 73 -1.513 -3.446 -4.026 1.00 0.00 C ATOM 873 O ARG A 73 -1.476 -3.301 -5.247 1.00 0.00 O ATOM 874 CB ARG A 73 -2.960 -5.487 -3.937 1.00 0.00 C ATOM 875 CG ARG A 73 -1.779 -6.430 -3.771 1.00 0.00 C ATOM 876 CD ARG A 73 -1.948 -7.688 -4.608 1.00 0.00 C ATOM 877 NE ARG A 73 -0.844 -8.623 -4.418 1.00 0.00 N ATOM 878 CZ ARG A 73 -0.557 -9.612 -5.263 1.00 0.00 C ATOM 879 NH1 ARG A 73 -1.290 -9.797 -6.353 1.00 0.00 N ATOM 880 NH2 ARG A 73 0.465 -10.419 -5.015 1.00 0.00 N ATOM 0 H ARG A 73 -4.229 -3.159 -4.466 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.508 -4.190 -2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.835 -5.927 -3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.191 -5.391 -4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.861 -5.919 -4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.674 -6.702 -2.721 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.886 -8.176 -4.344 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.016 -7.416 -5.661 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.258 -8.513 -3.590 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.079 -9.180 -6.548 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.065 -10.556 -6.996 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.031 -10.282 -4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.685 -11.176 -5.662 1.00 0.00 H new ATOM 894 N LEU A 74 -0.534 -3.054 -3.218 1.00 0.00 N ATOM 895 CA LEU A 74 0.676 -2.414 -3.724 1.00 0.00 C ATOM 896 C LEU A 74 1.460 -3.345 -4.640 1.00 0.00 C ATOM 897 O LEU A 74 1.929 -4.404 -4.220 1.00 0.00 O ATOM 898 CB LEU A 74 1.558 -1.969 -2.559 1.00 0.00 C ATOM 899 CG LEU A 74 1.190 -0.614 -1.958 1.00 0.00 C ATOM 900 CD1 LEU A 74 0.110 -0.776 -0.900 1.00 0.00 C ATOM 901 CD2 LEU A 74 2.419 0.062 -1.375 1.00 0.00 C ATOM 0 H LEU A 74 -0.555 -3.169 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 74 0.374 -1.544 -4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.508 -2.724 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.593 -1.931 -2.899 1.00 0.00 H new ATOM 0 HG LEU A 74 0.797 0.021 -2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.140 0.199 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.779 -1.216 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.474 -1.428 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.137 1.026 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.844 -0.568 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.158 0.213 -2.161 1.00 0.00 H new ATOM 913 N ILE A 75 1.609 -2.929 -5.891 1.00 0.00 N ATOM 914 CA ILE A 75 2.347 -3.703 -6.878 1.00 0.00 C ATOM 915 C ILE A 75 3.815 -3.283 -6.898 1.00 0.00 C ATOM 916 O ILE A 75 4.698 -4.079 -7.215 1.00 0.00 O ATOM 917 CB ILE A 75 1.747 -3.534 -8.281 1.00 0.00 C ATOM 918 CG1 ILE A 75 0.252 -3.862 -8.238 1.00 0.00 C ATOM 919 CG2 ILE A 75 2.476 -4.422 -9.282 1.00 0.00 C ATOM 920 CD1 ILE A 75 -0.346 -4.178 -9.588 1.00 0.00 C ATOM 0 H ILE A 75 1.225 -2.054 -6.247 1.00 0.00 H new ATOM 0 HA ILE A 75 2.274 -4.753 -6.593 1.00 0.00 H new ATOM 0 HB ILE A 75 1.869 -2.501 -8.606 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.096 -4.713 -7.575 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.283 -3.017 -7.804 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.038 -4.290 -10.272 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.530 -4.147 -9.312 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.382 -5.465 -8.979 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.407 -4.399 -9.473 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.224 -3.321 -10.250 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.161 -5.043 -10.017 1.00 0.00 H new ATOM 932 N GLU A 76 4.064 -2.022 -6.550 1.00 0.00 N ATOM 933 CA GLU A 76 5.423 -1.489 -6.519 1.00 0.00 C ATOM 934 C GLU A 76 5.437 -0.040 -6.038 1.00 0.00 C ATOM 935 O GLU A 76 4.396 0.617 -5.981 1.00 0.00 O ATOM 936 CB GLU A 76 6.071 -1.584 -7.902 1.00 0.00 C ATOM 937 CG GLU A 76 5.298 -0.861 -8.990 1.00 0.00 C ATOM 938 CD GLU A 76 5.504 0.640 -8.955 1.00 0.00 C ATOM 939 OE1 GLU A 76 6.474 1.093 -8.310 1.00 0.00 O ATOM 940 OE2 GLU A 76 4.696 1.365 -9.573 1.00 0.00 O ATOM 0 H GLU A 76 3.342 -1.351 -6.286 1.00 0.00 H new ATOM 0 HA GLU A 76 5.998 -2.091 -5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.079 -1.172 -7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.170 -2.634 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.605 -1.243 -9.963 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.236 -1.080 -8.882 1.00 0.00 H new ATOM 947 N VAL A 77 6.625 0.448 -5.696 1.00 0.00 N ATOM 948 CA VAL A 77 6.791 1.817 -5.220 1.00 0.00 C ATOM 949 C VAL A 77 8.063 2.433 -5.794 1.00 0.00 C ATOM 950 O VAL A 77 9.155 1.884 -5.640 1.00 0.00 O ATOM 951 CB VAL A 77 6.852 1.873 -3.679 1.00 0.00 C ATOM 952 CG1 VAL A 77 7.063 3.301 -3.197 1.00 0.00 C ATOM 953 CG2 VAL A 77 5.588 1.282 -3.074 1.00 0.00 C ATOM 0 H VAL A 77 7.492 -0.088 -5.740 1.00 0.00 H new ATOM 0 HA VAL A 77 5.924 2.385 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 77 7.702 1.276 -3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.103 3.315 -2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.000 3.686 -3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.238 3.926 -3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.648 1.330 -1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.722 1.849 -3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.487 0.243 -3.386 1.00 0.00 H new ATOM 963 N ASN A 78 7.919 3.577 -6.461 1.00 0.00 N ATOM 964 CA ASN A 78 9.060 4.261 -7.060 1.00 0.00 C ATOM 965 C ASN A 78 9.817 3.334 -8.006 1.00 0.00 C ATOM 966 O ASN A 78 11.028 3.468 -8.186 1.00 0.00 O ATOM 967 CB ASN A 78 10.001 4.781 -5.971 1.00 0.00 C ATOM 968 CG ASN A 78 9.342 5.823 -5.088 1.00 0.00 C ATOM 969 OD1 ASN A 78 8.374 5.533 -4.385 1.00 0.00 O ATOM 970 ND2 ASN A 78 9.866 7.041 -5.120 1.00 0.00 N ATOM 0 H ASN A 78 7.025 4.048 -6.599 1.00 0.00 H new ATOM 0 HA ASN A 78 8.683 5.106 -7.636 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.336 3.946 -5.355 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.888 5.211 -6.436 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.466 7.783 -4.546 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.669 7.235 -5.718 1.00 0.00 H new ATOM 977 N GLY A 79 9.093 2.396 -8.608 1.00 0.00 N ATOM 978 CA GLY A 79 9.711 1.461 -9.530 1.00 0.00 C ATOM 979 C GLY A 79 10.233 0.212 -8.841 1.00 0.00 C ATOM 980 O GLY A 79 10.933 -0.593 -9.458 1.00 0.00 O ATOM 0 H GLY A 79 8.090 2.267 -8.474 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.985 1.174 -10.290 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.534 1.956 -10.046 1.00 0.00 H new ATOM 984 N VAL A 80 9.894 0.044 -7.566 1.00 0.00 N ATOM 985 CA VAL A 80 10.337 -1.118 -6.807 1.00 0.00 C ATOM 986 C VAL A 80 9.184 -2.079 -6.548 1.00 0.00 C ATOM 987 O VAL A 80 8.201 -1.724 -5.900 1.00 0.00 O ATOM 988 CB VAL A 80 10.965 -0.710 -5.458 1.00 0.00 C ATOM 989 CG1 VAL A 80 11.284 -1.939 -4.614 1.00 0.00 C ATOM 990 CG2 VAL A 80 12.214 0.125 -5.685 1.00 0.00 C ATOM 0 H VAL A 80 9.315 0.697 -7.039 1.00 0.00 H new ATOM 0 HA VAL A 80 11.094 -1.617 -7.413 1.00 0.00 H new ATOM 0 HB VAL A 80 10.241 -0.105 -4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.726 -1.626 -3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.367 -2.495 -4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.988 -2.576 -5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.645 0.404 -4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.941 -0.455 -6.253 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.954 1.025 -6.241 1.00 0.00 H new ATOM 1000 N ASP A 81 9.320 -3.300 -7.045 1.00 0.00 N ATOM 1001 CA ASP A 81 8.295 -4.315 -6.852 1.00 0.00 C ATOM 1002 C ASP A 81 8.277 -4.780 -5.402 1.00 0.00 C ATOM 1003 O ASP A 81 9.247 -5.362 -4.915 1.00 0.00 O ATOM 1004 CB ASP A 81 8.541 -5.505 -7.782 1.00 0.00 C ATOM 1005 CG ASP A 81 7.995 -5.271 -9.176 1.00 0.00 C ATOM 1006 OD1 ASP A 81 7.048 -4.471 -9.317 1.00 0.00 O ATOM 1007 OD2 ASP A 81 8.516 -5.890 -10.130 1.00 0.00 O ATOM 0 H ASP A 81 10.128 -3.611 -7.584 1.00 0.00 H new ATOM 0 HA ASP A 81 7.326 -3.877 -7.092 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.612 -5.700 -7.842 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.078 -6.396 -7.358 1.00 0.00 H new ATOM 1012 N LEU A 82 7.168 -4.527 -4.717 1.00 0.00 N ATOM 1013 CA LEU A 82 7.026 -4.927 -3.322 1.00 0.00 C ATOM 1014 C LEU A 82 6.571 -6.380 -3.213 1.00 0.00 C ATOM 1015 O LEU A 82 6.020 -6.791 -2.191 1.00 0.00 O ATOM 1016 CB LEU A 82 6.029 -4.015 -2.605 1.00 0.00 C ATOM 1017 CG LEU A 82 6.172 -2.523 -2.915 1.00 0.00 C ATOM 1018 CD1 LEU A 82 4.981 -1.746 -2.371 1.00 0.00 C ATOM 1019 CD2 LEU A 82 7.473 -1.983 -2.340 1.00 0.00 C ATOM 0 H LEU A 82 6.355 -4.048 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 82 8.002 -4.834 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.019 -4.329 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.138 -4.159 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 82 6.196 -2.397 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.101 -0.687 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.065 -2.116 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.923 -1.878 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.559 -0.921 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.479 -2.122 -1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.315 -2.518 -2.779 1.00 0.00 H new ATOM 1031 N ALA A 83 6.805 -7.154 -4.269 1.00 0.00 N ATOM 1032 CA ALA A 83 6.415 -8.559 -4.286 1.00 0.00 C ATOM 1033 C ALA A 83 7.574 -9.452 -3.853 1.00 0.00 C ATOM 1034 O ALA A 83 7.860 -10.468 -4.486 1.00 0.00 O ATOM 1035 CB ALA A 83 5.929 -8.955 -5.671 1.00 0.00 C ATOM 0 H ALA A 83 7.262 -6.832 -5.122 1.00 0.00 H new ATOM 0 HA ALA A 83 5.599 -8.695 -3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.641 -10.006 -5.669 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.068 -8.344 -5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.728 -8.799 -6.395 1.00 0.00 H new ATOM 1041 N GLY A 84 8.236 -9.064 -2.768 1.00 0.00 N ATOM 1042 CA GLY A 84 9.356 -9.838 -2.267 1.00 0.00 C ATOM 1043 C GLY A 84 10.360 -8.982 -1.520 1.00 0.00 C ATOM 1044 O GLY A 84 11.568 -9.121 -1.709 1.00 0.00 O ATOM 0 H GLY A 84 8.017 -8.228 -2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.986 -10.621 -1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.854 -10.334 -3.100 1.00 0.00 H new ATOM 1048 N LYS A 85 9.858 -8.093 -0.668 1.00 0.00 N ATOM 1049 CA LYS A 85 10.717 -7.212 0.110 1.00 0.00 C ATOM 1050 C LYS A 85 10.429 -7.346 1.604 1.00 0.00 C ATOM 1051 O LYS A 85 11.111 -8.090 2.309 1.00 0.00 O ATOM 1052 CB LYS A 85 10.540 -5.761 -0.346 1.00 0.00 C ATOM 1053 CG LYS A 85 10.796 -5.556 -1.833 1.00 0.00 C ATOM 1054 CD LYS A 85 11.733 -4.385 -2.087 1.00 0.00 C ATOM 1055 CE LYS A 85 11.207 -3.099 -1.469 1.00 0.00 C ATOM 1056 NZ LYS A 85 11.797 -2.843 -0.124 1.00 0.00 N ATOM 0 H LYS A 85 8.860 -7.965 -0.500 1.00 0.00 H new ATOM 0 HA LYS A 85 11.753 -7.507 -0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.526 -5.436 -0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.218 -5.125 0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.225 -6.464 -2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.849 -5.382 -2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.717 -4.610 -1.676 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.860 -4.247 -3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.432 -2.261 -2.129 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.122 -3.155 -1.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.034 -2.702 0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.378 -3.657 0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.391 -1.990 -0.162 1.00 0.00 H new ATOM 1070 N SER A 86 9.414 -6.628 2.081 1.00 0.00 N ATOM 1071 CA SER A 86 9.028 -6.663 3.490 1.00 0.00 C ATOM 1072 C SER A 86 8.099 -5.499 3.819 1.00 0.00 C ATOM 1073 O SER A 86 8.086 -4.488 3.120 1.00 0.00 O ATOM 1074 CB SER A 86 10.263 -6.613 4.397 1.00 0.00 C ATOM 1075 OG SER A 86 10.456 -7.849 5.065 1.00 0.00 O ATOM 0 H SER A 86 8.840 -6.010 1.507 1.00 0.00 H new ATOM 0 HA SER A 86 8.501 -7.600 3.669 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.145 -6.376 3.803 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.148 -5.814 5.130 1.00 0.00 H new ATOM 0 HG SER A 86 10.789 -8.516 4.429 1.00 0.00 H new ATOM 1081 N GLN A 87 7.333 -5.642 4.893 1.00 0.00 N ATOM 1082 CA GLN A 87 6.413 -4.595 5.318 1.00 0.00 C ATOM 1083 C GLN A 87 7.195 -3.397 5.819 1.00 0.00 C ATOM 1084 O GLN A 87 6.992 -2.275 5.364 1.00 0.00 O ATOM 1085 CB GLN A 87 5.472 -5.114 6.411 1.00 0.00 C ATOM 1086 CG GLN A 87 4.577 -4.042 7.017 1.00 0.00 C ATOM 1087 CD GLN A 87 3.346 -3.763 6.178 1.00 0.00 C ATOM 1088 OE1 GLN A 87 3.358 -3.936 4.960 1.00 0.00 O ATOM 1089 NE2 GLN A 87 2.276 -3.325 6.829 1.00 0.00 N ATOM 0 H GLN A 87 7.331 -6.472 5.485 1.00 0.00 H new ATOM 0 HA GLN A 87 5.807 -4.292 4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.846 -5.902 5.993 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.067 -5.567 7.204 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.268 -4.354 8.015 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.148 -3.121 7.134 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.312 -3.196 7.840 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.418 -3.117 6.318 1.00 0.00 H new ATOM 1098 N GLU A 88 8.108 -3.650 6.745 1.00 0.00 N ATOM 1099 CA GLU A 88 8.944 -2.596 7.292 1.00 0.00 C ATOM 1100 C GLU A 88 9.814 -2.009 6.191 1.00 0.00 C ATOM 1101 O GLU A 88 10.162 -0.827 6.219 1.00 0.00 O ATOM 1102 CB GLU A 88 9.814 -3.134 8.429 1.00 0.00 C ATOM 1103 CG GLU A 88 9.886 -2.205 9.631 1.00 0.00 C ATOM 1104 CD GLU A 88 9.773 -2.946 10.949 1.00 0.00 C ATOM 1105 OE1 GLU A 88 8.695 -3.515 11.217 1.00 0.00 O ATOM 1106 OE2 GLU A 88 10.762 -2.955 11.711 1.00 0.00 O ATOM 0 H GLU A 88 8.287 -4.576 7.132 1.00 0.00 H new ATOM 0 HA GLU A 88 8.304 -1.812 7.697 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.423 -4.100 8.749 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.822 -3.307 8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.828 -1.657 9.606 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.086 -1.467 9.564 1.00 0.00 H new ATOM 1113 N GLU A 89 10.154 -2.844 5.212 1.00 0.00 N ATOM 1114 CA GLU A 89 10.973 -2.405 4.090 1.00 0.00 C ATOM 1115 C GLU A 89 10.158 -1.517 3.161 1.00 0.00 C ATOM 1116 O GLU A 89 10.610 -0.450 2.746 1.00 0.00 O ATOM 1117 CB GLU A 89 11.517 -3.610 3.323 1.00 0.00 C ATOM 1118 CG GLU A 89 12.573 -4.387 4.088 1.00 0.00 C ATOM 1119 CD GLU A 89 13.390 -5.300 3.195 1.00 0.00 C ATOM 1120 OE1 GLU A 89 13.659 -4.912 2.038 1.00 0.00 O ATOM 1121 OE2 GLU A 89 13.759 -6.402 3.652 1.00 0.00 O ATOM 0 H GLU A 89 9.875 -3.824 5.175 1.00 0.00 H new ATOM 0 HA GLU A 89 11.814 -1.831 4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.691 -4.278 3.079 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.941 -3.269 2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.240 -3.687 4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.090 -4.981 4.864 1.00 0.00 H new ATOM 1128 N VAL A 90 8.948 -1.967 2.850 1.00 0.00 N ATOM 1129 CA VAL A 90 8.048 -1.219 1.981 1.00 0.00 C ATOM 1130 C VAL A 90 7.604 0.074 2.652 1.00 0.00 C ATOM 1131 O VAL A 90 7.561 1.134 2.026 1.00 0.00 O ATOM 1132 CB VAL A 90 6.811 -2.064 1.608 1.00 0.00 C ATOM 1133 CG1 VAL A 90 5.826 -1.251 0.781 1.00 0.00 C ATOM 1134 CG2 VAL A 90 7.234 -3.317 0.855 1.00 0.00 C ATOM 0 H VAL A 90 8.566 -2.850 3.189 1.00 0.00 H new ATOM 0 HA VAL A 90 8.593 -0.976 1.069 1.00 0.00 H new ATOM 0 HB VAL A 90 6.311 -2.363 2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.964 -1.869 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.497 -0.384 1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.310 -0.916 -0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.351 -3.903 0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.759 -3.033 -0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.895 -3.913 1.484 1.00 0.00 H new ATOM 1144 N VAL A 91 7.295 -0.016 3.936 1.00 0.00 N ATOM 1145 CA VAL A 91 6.879 1.146 4.696 1.00 0.00 C ATOM 1146 C VAL A 91 8.059 2.085 4.888 1.00 0.00 C ATOM 1147 O VAL A 91 7.899 3.301 4.929 1.00 0.00 O ATOM 1148 CB VAL A 91 6.306 0.751 6.071 1.00 0.00 C ATOM 1149 CG1 VAL A 91 5.779 1.974 6.805 1.00 0.00 C ATOM 1150 CG2 VAL A 91 5.212 -0.293 5.912 1.00 0.00 C ATOM 0 H VAL A 91 7.325 -0.884 4.472 1.00 0.00 H new ATOM 0 HA VAL A 91 6.092 1.647 4.133 1.00 0.00 H new ATOM 0 HB VAL A 91 7.110 0.318 6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.379 1.673 7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.590 2.687 6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.990 2.440 6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.819 -0.560 6.893 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.409 0.113 5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.623 -1.181 5.432 1.00 0.00 H new ATOM 1160 N SER A 92 9.250 1.505 4.989 1.00 0.00 N ATOM 1161 CA SER A 92 10.467 2.284 5.162 1.00 0.00 C ATOM 1162 C SER A 92 10.777 3.085 3.903 1.00 0.00 C ATOM 1163 O SER A 92 11.086 4.275 3.975 1.00 0.00 O ATOM 1164 CB SER A 92 11.643 1.367 5.502 1.00 0.00 C ATOM 1165 OG SER A 92 12.874 2.066 5.430 1.00 0.00 O ATOM 0 H SER A 92 9.397 0.496 4.954 1.00 0.00 H new ATOM 0 HA SER A 92 10.312 2.979 5.987 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.512 0.959 6.504 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.660 0.522 4.813 1.00 0.00 H new ATOM 0 HG SER A 92 13.609 1.458 5.653 1.00 0.00 H new ATOM 1171 N LEU A 93 10.698 2.428 2.748 1.00 0.00 N ATOM 1172 CA LEU A 93 10.980 3.096 1.482 1.00 0.00 C ATOM 1173 C LEU A 93 10.007 4.245 1.235 1.00 0.00 C ATOM 1174 O LEU A 93 10.399 5.297 0.731 1.00 0.00 O ATOM 1175 CB LEU A 93 10.961 2.121 0.299 1.00 0.00 C ATOM 1176 CG LEU A 93 9.865 1.072 0.327 1.00 0.00 C ATOM 1177 CD1 LEU A 93 8.643 1.551 -0.443 1.00 0.00 C ATOM 1178 CD2 LEU A 93 10.377 -0.243 -0.245 1.00 0.00 C ATOM 0 H LEU A 93 10.444 1.444 2.663 1.00 0.00 H new ATOM 0 HA LEU A 93 11.988 3.503 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.863 2.697 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.924 1.612 0.256 1.00 0.00 H new ATOM 0 HG LEU A 93 9.571 0.908 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.869 0.784 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.265 2.468 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.919 1.744 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.580 -0.986 -0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.698 -0.091 -1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.221 -0.594 0.349 1.00 0.00 H new ATOM 1190 N LEU A 94 8.739 4.052 1.596 1.00 0.00 N ATOM 1191 CA LEU A 94 7.740 5.099 1.409 1.00 0.00 C ATOM 1192 C LEU A 94 7.869 6.164 2.495 1.00 0.00 C ATOM 1193 O LEU A 94 7.601 7.340 2.258 1.00 0.00 O ATOM 1194 CB LEU A 94 6.327 4.505 1.385 1.00 0.00 C ATOM 1195 CG LEU A 94 5.709 4.210 2.751 1.00 0.00 C ATOM 1196 CD1 LEU A 94 5.007 5.443 3.294 1.00 0.00 C ATOM 1197 CD2 LEU A 94 4.739 3.041 2.649 1.00 0.00 C ATOM 0 H LEU A 94 8.384 3.192 2.014 1.00 0.00 H new ATOM 0 HA LEU A 94 7.919 5.576 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.672 5.194 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.352 3.579 0.810 1.00 0.00 H new ATOM 0 HG LEU A 94 6.506 3.938 3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.573 5.215 4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.727 6.255 3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.217 5.745 2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.306 2.841 3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.945 3.288 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.271 2.156 2.300 1.00 0.00 H new ATOM 1209 N ARG A 95 8.298 5.751 3.686 1.00 0.00 N ATOM 1210 CA ARG A 95 8.485 6.687 4.791 1.00 0.00 C ATOM 1211 C ARG A 95 9.717 7.554 4.550 1.00 0.00 C ATOM 1212 O ARG A 95 9.776 8.705 4.983 1.00 0.00 O ATOM 1213 CB ARG A 95 8.624 5.942 6.123 1.00 0.00 C ATOM 1214 CG ARG A 95 7.426 6.118 7.046 1.00 0.00 C ATOM 1215 CD ARG A 95 6.249 5.267 6.601 1.00 0.00 C ATOM 1216 NE ARG A 95 5.188 5.233 7.606 1.00 0.00 N ATOM 1217 CZ ARG A 95 5.299 4.616 8.780 1.00 0.00 C ATOM 1218 NH1 ARG A 95 6.421 3.983 9.102 1.00 0.00 N ATOM 1219 NH2 ARG A 95 4.286 4.631 9.636 1.00 0.00 N ATOM 0 H ARG A 95 8.521 4.781 3.909 1.00 0.00 H new ATOM 0 HA ARG A 95 7.604 7.326 4.843 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.765 4.880 5.923 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.521 6.292 6.634 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.707 5.848 8.064 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.131 7.167 7.065 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.850 5.660 5.666 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.591 4.252 6.400 1.00 0.00 H new ATOM 0 HE ARG A 95 4.311 5.710 7.395 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.204 3.968 8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.500 3.512 10.003 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.421 5.116 9.395 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.371 4.158 10.536 1.00 0.00 H new ATOM 1233 N SER A 96 10.705 6.986 3.859 1.00 0.00 N ATOM 1234 CA SER A 96 11.945 7.695 3.559 1.00 0.00 C ATOM 1235 C SER A 96 11.662 9.002 2.831 1.00 0.00 C ATOM 1236 O SER A 96 12.315 10.017 3.079 1.00 0.00 O ATOM 1237 CB SER A 96 12.867 6.815 2.714 1.00 0.00 C ATOM 1238 OG SER A 96 13.732 6.047 3.533 1.00 0.00 O ATOM 0 H SER A 96 10.669 6.033 3.496 1.00 0.00 H new ATOM 0 HA SER A 96 12.439 7.927 4.502 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.269 6.152 2.089 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.456 7.440 2.043 1.00 0.00 H new ATOM 0 HG SER A 96 13.236 5.295 3.918 1.00 0.00 H new ATOM 1244 N THR A 97 10.684 8.972 1.934 1.00 0.00 N ATOM 1245 CA THR A 97 10.312 10.158 1.172 1.00 0.00 C ATOM 1246 C THR A 97 10.018 11.327 2.111 1.00 0.00 C ATOM 1247 O THR A 97 9.272 11.183 3.079 1.00 0.00 O ATOM 1248 CB THR A 97 9.093 9.866 0.292 1.00 0.00 C ATOM 1249 OG1 THR A 97 8.599 8.561 0.529 1.00 0.00 O ATOM 1250 CG2 THR A 97 9.379 9.979 -1.190 1.00 0.00 C ATOM 0 H THR A 97 10.135 8.141 1.716 1.00 0.00 H new ATOM 0 HA THR A 97 11.149 10.431 0.530 1.00 0.00 H new ATOM 0 HB THR A 97 8.359 10.624 0.566 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.271 8.498 1.450 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.472 9.759 -1.753 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.713 10.991 -1.420 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.158 9.268 -1.465 1.00 0.00 H new ATOM 1258 N LYS A 98 10.614 12.477 1.822 1.00 0.00 N ATOM 1259 CA LYS A 98 10.421 13.665 2.645 1.00 0.00 C ATOM 1260 C LYS A 98 9.753 14.780 1.846 1.00 0.00 C ATOM 1261 O LYS A 98 9.333 14.572 0.707 1.00 0.00 O ATOM 1262 CB LYS A 98 11.765 14.150 3.197 1.00 0.00 C ATOM 1263 CG LYS A 98 12.473 13.119 4.061 1.00 0.00 C ATOM 1264 CD LYS A 98 13.600 12.435 3.306 1.00 0.00 C ATOM 1265 CE LYS A 98 14.856 13.292 3.281 1.00 0.00 C ATOM 1266 NZ LYS A 98 15.839 12.869 4.315 1.00 0.00 N ATOM 0 H LYS A 98 11.235 12.613 1.024 1.00 0.00 H new ATOM 0 HA LYS A 98 9.768 13.399 3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.414 14.422 2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.603 15.054 3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.873 13.603 4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 98 11.755 12.372 4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.822 11.476 3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.281 12.226 2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.317 13.231 2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 98 14.586 14.336 3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 16.680 13.478 4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 15.408 12.952 5.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 16.117 11.881 4.147 1.00 0.00 H new ATOM 1280 N MET A 99 9.656 15.963 2.449 1.00 0.00 N ATOM 1281 CA MET A 99 9.038 17.111 1.793 1.00 0.00 C ATOM 1282 C MET A 99 9.566 17.277 0.371 1.00 0.00 C ATOM 1283 O MET A 99 10.745 17.046 0.107 1.00 0.00 O ATOM 1284 CB MET A 99 9.298 18.389 2.594 1.00 0.00 C ATOM 1285 CG MET A 99 8.872 18.295 4.052 1.00 0.00 C ATOM 1286 SD MET A 99 7.127 17.883 4.239 1.00 0.00 S ATOM 1287 CE MET A 99 7.160 16.962 5.775 1.00 0.00 C ATOM 0 H MET A 99 9.998 16.151 3.391 1.00 0.00 H new ATOM 0 HA MET A 99 7.964 16.931 1.746 1.00 0.00 H new ATOM 0 HB2 MET A 99 10.361 18.625 2.550 1.00 0.00 H new ATOM 0 HB3 MET A 99 8.768 19.217 2.123 1.00 0.00 H new ATOM 0 HG2 MET A 99 9.476 17.540 4.555 1.00 0.00 H new ATOM 0 HG3 MET A 99 9.072 19.245 4.547 1.00 0.00 H new ATOM 0 HE1 MET A 99 6.942 15.913 5.575 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.147 17.047 6.229 1.00 0.00 H new ATOM 0 HE3 MET A 99 6.411 17.365 6.457 1.00 0.00 H new ATOM 1297 N GLU A 100 8.685 17.671 -0.544 1.00 0.00 N ATOM 1298 CA GLU A 100 9.069 17.858 -1.940 1.00 0.00 C ATOM 1299 C GLU A 100 9.629 16.561 -2.515 1.00 0.00 C ATOM 1300 O GLU A 100 10.831 16.440 -2.750 1.00 0.00 O ATOM 1301 CB GLU A 100 10.105 18.977 -2.061 1.00 0.00 C ATOM 1302 CG GLU A 100 9.644 20.301 -1.476 1.00 0.00 C ATOM 1303 CD GLU A 100 9.730 20.331 0.037 1.00 0.00 C ATOM 1304 OE1 GLU A 100 10.707 19.781 0.588 1.00 0.00 O ATOM 1305 OE2 GLU A 100 8.819 20.903 0.673 1.00 0.00 O ATOM 0 H GLU A 100 7.704 17.866 -0.345 1.00 0.00 H new ATOM 0 HA GLU A 100 8.182 18.138 -2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.022 18.667 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.351 19.121 -3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.252 21.107 -1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.615 20.490 -1.782 1.00 0.00 H new ATOM 1312 N GLY A 101 8.747 15.594 -2.736 1.00 0.00 N ATOM 1313 CA GLY A 101 9.159 14.317 -3.276 1.00 0.00 C ATOM 1314 C GLY A 101 7.973 13.454 -3.648 1.00 0.00 C ATOM 1315 O GLY A 101 7.338 12.850 -2.782 1.00 0.00 O ATOM 0 H GLY A 101 7.748 15.675 -2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.781 14.479 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.773 13.794 -2.543 1.00 0.00 H new ATOM 1319 N THR A 102 7.667 13.406 -4.936 1.00 0.00 N ATOM 1320 CA THR A 102 6.540 12.620 -5.423 1.00 0.00 C ATOM 1321 C THR A 102 6.829 11.127 -5.318 1.00 0.00 C ATOM 1322 O THR A 102 7.711 10.603 -6.001 1.00 0.00 O ATOM 1323 CB THR A 102 6.223 12.986 -6.874 1.00 0.00 C ATOM 1324 OG1 THR A 102 6.597 14.324 -7.149 1.00 0.00 O ATOM 1325 CG2 THR A 102 4.757 12.839 -7.223 1.00 0.00 C ATOM 0 H THR A 102 8.182 13.901 -5.664 1.00 0.00 H new ATOM 0 HA THR A 102 5.676 12.850 -4.799 1.00 0.00 H new ATOM 0 HB THR A 102 6.797 12.284 -7.479 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.387 14.537 -8.082 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.602 13.114 -8.266 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.449 11.805 -7.071 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.163 13.492 -6.583 1.00 0.00 H new ATOM 1333 N VAL A 103 6.074 10.448 -4.464 1.00 0.00 N ATOM 1334 CA VAL A 103 6.236 9.012 -4.268 1.00 0.00 C ATOM 1335 C VAL A 103 5.268 8.248 -5.163 1.00 0.00 C ATOM 1336 O VAL A 103 4.051 8.338 -4.995 1.00 0.00 O ATOM 1337 CB VAL A 103 5.992 8.606 -2.799 1.00 0.00 C ATOM 1338 CG1 VAL A 103 6.622 7.254 -2.499 1.00 0.00 C ATOM 1339 CG2 VAL A 103 6.518 9.669 -1.844 1.00 0.00 C ATOM 0 H VAL A 103 5.341 10.870 -3.894 1.00 0.00 H new ATOM 0 HA VAL A 103 7.264 8.762 -4.529 1.00 0.00 H new ATOM 0 HB VAL A 103 4.916 8.521 -2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.437 6.989 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.185 6.496 -3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.697 7.306 -2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.333 9.358 -0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.589 9.798 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.008 10.613 -2.034 1.00 0.00 H new ATOM 1349 N SER A 104 5.810 7.503 -6.121 1.00 0.00 N ATOM 1350 CA SER A 104 4.984 6.737 -7.045 1.00 0.00 C ATOM 1351 C SER A 104 4.602 5.392 -6.443 1.00 0.00 C ATOM 1352 O SER A 104 5.464 4.623 -6.017 1.00 0.00 O ATOM 1353 CB SER A 104 5.720 6.529 -8.370 1.00 0.00 C ATOM 1354 OG SER A 104 7.124 6.597 -8.191 1.00 0.00 O ATOM 0 H SER A 104 6.814 7.414 -6.277 1.00 0.00 H new ATOM 0 HA SER A 104 4.071 7.302 -7.232 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.451 5.560 -8.791 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.405 7.287 -9.087 1.00 0.00 H new ATOM 0 HG SER A 104 7.572 6.171 -8.952 1.00 0.00 H new ATOM 1360 N LEU A 105 3.305 5.116 -6.406 1.00 0.00 N ATOM 1361 CA LEU A 105 2.809 3.867 -5.850 1.00 0.00 C ATOM 1362 C LEU A 105 1.758 3.239 -6.757 1.00 0.00 C ATOM 1363 O LEU A 105 0.711 3.833 -7.020 1.00 0.00 O ATOM 1364 CB LEU A 105 2.214 4.100 -4.462 1.00 0.00 C ATOM 1365 CG LEU A 105 3.037 5.008 -3.544 1.00 0.00 C ATOM 1366 CD1 LEU A 105 2.165 6.105 -2.954 1.00 0.00 C ATOM 1367 CD2 LEU A 105 3.695 4.194 -2.440 1.00 0.00 C ATOM 0 H LEU A 105 2.578 5.741 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 105 3.653 3.182 -5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.220 4.532 -4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.086 3.135 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 105 3.821 5.478 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.768 6.740 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.743 6.707 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.358 5.656 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.276 4.855 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.927 3.695 -1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.354 3.447 -2.882 1.00 0.00 H new ATOM 1379 N LEU A 106 2.040 2.027 -7.220 1.00 0.00 N ATOM 1380 CA LEU A 106 1.114 1.306 -8.081 1.00 0.00 C ATOM 1381 C LEU A 106 0.248 0.379 -7.240 1.00 0.00 C ATOM 1382 O LEU A 106 0.760 -0.411 -6.450 1.00 0.00 O ATOM 1383 CB LEU A 106 1.877 0.503 -9.135 1.00 0.00 C ATOM 1384 CG LEU A 106 1.001 -0.316 -10.085 1.00 0.00 C ATOM 1385 CD1 LEU A 106 0.301 0.594 -11.082 1.00 0.00 C ATOM 1386 CD2 LEU A 106 1.837 -1.359 -10.811 1.00 0.00 C ATOM 0 H LEU A 106 2.903 1.524 -7.013 1.00 0.00 H new ATOM 0 HA LEU A 106 0.476 2.026 -8.593 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.482 1.191 -9.726 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.566 -0.172 -8.627 1.00 0.00 H new ATOM 0 HG LEU A 106 0.241 -0.831 -9.497 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.318 -0.006 -11.750 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.327 1.306 -10.546 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.046 1.135 -11.666 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.199 -1.933 -11.483 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.618 -0.863 -11.388 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.294 -2.030 -10.083 1.00 0.00 H new ATOM 1398 N VAL A 107 -1.065 0.487 -7.397 1.00 0.00 N ATOM 1399 CA VAL A 107 -1.986 -0.341 -6.632 1.00 0.00 C ATOM 1400 C VAL A 107 -2.803 -1.251 -7.543 1.00 0.00 C ATOM 1401 O VAL A 107 -2.867 -1.040 -8.753 1.00 0.00 O ATOM 1402 CB VAL A 107 -2.944 0.524 -5.788 1.00 0.00 C ATOM 1403 CG1 VAL A 107 -2.158 1.425 -4.848 1.00 0.00 C ATOM 1404 CG2 VAL A 107 -3.857 1.350 -6.684 1.00 0.00 C ATOM 0 H VAL A 107 -1.514 1.136 -8.043 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.380 -0.957 -5.967 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.567 -0.140 -5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.849 2.029 -4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.552 0.813 -4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.509 2.080 -5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.524 1.952 -6.067 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.254 2.005 -7.313 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.447 0.685 -7.314 1.00 0.00 H new ATOM 1414 N PHE A 108 -3.429 -2.259 -6.949 1.00 0.00 N ATOM 1415 CA PHE A 108 -4.249 -3.201 -7.701 1.00 0.00 C ATOM 1416 C PHE A 108 -5.580 -3.436 -6.997 1.00 0.00 C ATOM 1417 O PHE A 108 -5.615 -3.859 -5.842 1.00 0.00 O ATOM 1418 CB PHE A 108 -3.507 -4.529 -7.878 1.00 0.00 C ATOM 1419 CG PHE A 108 -4.288 -5.561 -8.644 1.00 0.00 C ATOM 1420 CD1 PHE A 108 -5.373 -6.199 -8.064 1.00 0.00 C ATOM 1421 CD2 PHE A 108 -3.935 -5.893 -9.943 1.00 0.00 C ATOM 1422 CE1 PHE A 108 -6.093 -7.148 -8.765 1.00 0.00 C ATOM 1423 CE2 PHE A 108 -4.650 -6.843 -10.648 1.00 0.00 C ATOM 1424 CZ PHE A 108 -5.731 -7.470 -10.059 1.00 0.00 C ATOM 0 H PHE A 108 -3.385 -2.446 -5.947 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.447 -2.773 -8.684 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.565 -4.343 -8.394 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.259 -4.930 -6.895 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -5.659 -5.952 -7.052 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.092 -5.404 -10.409 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -6.937 -7.637 -8.302 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -4.364 -7.095 -11.658 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.292 -8.211 -10.609 1.00 0.00 H new ATOM 1434 N ARG A 109 -6.674 -3.159 -7.699 1.00 0.00 N ATOM 1435 CA ARG A 109 -8.007 -3.342 -7.134 1.00 0.00 C ATOM 1436 C ARG A 109 -8.692 -4.564 -7.736 1.00 0.00 C ATOM 1437 O ARG A 109 -9.087 -4.556 -8.903 1.00 0.00 O ATOM 1438 CB ARG A 109 -8.860 -2.094 -7.368 1.00 0.00 C ATOM 1439 CG ARG A 109 -9.758 -1.744 -6.193 1.00 0.00 C ATOM 1440 CD ARG A 109 -10.551 -0.472 -6.455 1.00 0.00 C ATOM 1441 NE ARG A 109 -9.694 0.710 -6.486 1.00 0.00 N ATOM 1442 CZ ARG A 109 -10.148 1.956 -6.372 1.00 0.00 C ATOM 1443 NH1 ARG A 109 -11.447 2.186 -6.221 1.00 0.00 N ATOM 1444 NH2 ARG A 109 -9.301 2.975 -6.410 1.00 0.00 N ATOM 0 H ARG A 109 -6.665 -2.808 -8.657 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.900 -3.502 -6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -8.204 -1.249 -7.578 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.477 -2.246 -8.254 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.444 -2.568 -6.000 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -9.152 -1.618 -5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.078 -0.563 -7.405 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.308 -0.351 -5.680 1.00 0.00 H new ATOM 0 HE ARG A 109 -8.690 0.573 -6.602 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -12.103 1.406 -6.192 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.789 3.143 -6.134 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -8.302 2.804 -6.527 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -9.648 3.930 -6.323 1.00 0.00 H new ATOM 1458 N GLN A 110 -8.829 -5.615 -6.933 1.00 0.00 N ATOM 1459 CA GLN A 110 -9.467 -6.845 -7.384 1.00 0.00 C ATOM 1460 C GLN A 110 -10.984 -6.750 -7.257 1.00 0.00 C ATOM 1461 O GLN A 110 -11.507 -6.417 -6.193 1.00 0.00 O ATOM 1462 CB GLN A 110 -8.949 -8.037 -6.578 1.00 0.00 C ATOM 1463 CG GLN A 110 -9.082 -9.367 -7.304 1.00 0.00 C ATOM 1464 CD GLN A 110 -7.743 -9.945 -7.715 1.00 0.00 C ATOM 1465 OE1 GLN A 110 -6.790 -9.950 -6.937 1.00 0.00 O ATOM 1466 NE2 GLN A 110 -7.665 -10.437 -8.946 1.00 0.00 N ATOM 0 H GLN A 110 -8.506 -5.638 -5.966 1.00 0.00 H new ATOM 0 HA GLN A 110 -9.218 -6.990 -8.435 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -7.900 -7.870 -6.332 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -9.493 -8.091 -5.635 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -9.598 -10.078 -6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -9.702 -9.232 -8.190 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -8.481 -10.412 -9.558 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -6.789 -10.840 -9.280 1.00 0.00 H new ATOM 1475 N GLU A 111 -11.684 -7.046 -8.347 1.00 0.00 N ATOM 1476 CA GLU A 111 -13.140 -6.994 -8.356 1.00 0.00 C ATOM 1477 C GLU A 111 -13.738 -8.358 -8.029 1.00 0.00 C ATOM 1478 O GLU A 111 -13.167 -9.395 -8.370 1.00 0.00 O ATOM 1479 CB GLU A 111 -13.644 -6.517 -9.720 1.00 0.00 C ATOM 1480 CG GLU A 111 -13.255 -7.436 -10.867 1.00 0.00 C ATOM 1481 CD GLU A 111 -13.770 -6.947 -12.206 1.00 0.00 C ATOM 1482 OE1 GLU A 111 -15.003 -6.932 -12.398 1.00 0.00 O ATOM 1483 OE2 GLU A 111 -12.939 -6.579 -13.064 1.00 0.00 O ATOM 0 H GLU A 111 -11.266 -7.324 -9.235 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.458 -6.287 -7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -14.730 -6.430 -9.687 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -13.251 -5.519 -9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.169 -7.520 -10.908 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -13.645 -8.436 -10.675 1.00 0.00 H new ATOM 1490 N GLU A 112 -14.889 -8.350 -7.367 1.00 0.00 N ATOM 1491 CA GLU A 112 -15.566 -9.587 -6.994 1.00 0.00 C ATOM 1492 C GLU A 112 -16.763 -9.847 -7.904 1.00 0.00 C ATOM 1493 O GLU A 112 -17.860 -9.343 -7.661 1.00 0.00 O ATOM 1494 CB GLU A 112 -16.021 -9.523 -5.533 1.00 0.00 C ATOM 1495 CG GLU A 112 -15.614 -10.739 -4.716 1.00 0.00 C ATOM 1496 CD GLU A 112 -16.444 -10.901 -3.458 1.00 0.00 C ATOM 1497 OE1 GLU A 112 -17.625 -11.293 -3.573 1.00 0.00 O ATOM 1498 OE2 GLU A 112 -15.915 -10.637 -2.359 1.00 0.00 O ATOM 0 H GLU A 112 -15.373 -7.500 -7.077 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.860 -10.409 -7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -15.604 -8.628 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -17.106 -9.422 -5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -15.713 -11.634 -5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.562 -10.654 -4.444 1.00 0.00 H new ATOM 1505 N ALA A 113 -16.542 -10.633 -8.952 1.00 0.00 N ATOM 1506 CA ALA A 113 -17.601 -10.959 -9.898 1.00 0.00 C ATOM 1507 C ALA A 113 -18.126 -9.703 -10.586 1.00 0.00 C ATOM 1508 O ALA A 113 -17.572 -8.616 -10.420 1.00 0.00 O ATOM 1509 CB ALA A 113 -18.735 -11.689 -9.194 1.00 0.00 C ATOM 0 H ALA A 113 -15.639 -11.056 -9.167 1.00 0.00 H new ATOM 0 HA ALA A 113 -17.182 -11.614 -10.662 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -19.518 -11.925 -9.914 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -18.356 -12.611 -8.754 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -19.144 -11.054 -8.408 1.00 0.00 H new TER 1515 ALA A 113