USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 469 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 8 MET CE :methyl -156:sc= 0 (180deg=-0.364) USER MOD Set 1.2: A 76 SER OG : rot 87:sc= 0.208 USER MOD Set 1.3: A 78 HIS : no HE2:sc= -0.139 K(o=0.069,f=-0.9) USER MOD Set 2.1: A 25 HIS : no HD1:sc= -0.209 K(o=-0.82,f=-2.1) USER MOD Set 2.2: A 64 ASN : amide:sc= -0.611 X(o=-0.82,f=-0.81) USER MOD Set 3.1: A 61 MET CE :methyl 163:sc= -0.782 (180deg=-0.772) USER MOD Set 3.2: A 66 HIS : no HD1:sc= -0.665 X(o=-1.4,f=-1.8) USER MOD Single : A 2 ASN : amide:sc= 0.102 X(o=0.1,f=0) USER MOD Single : A 5 MET CE :methyl -171:sc= 0 (180deg=-0.167) USER MOD Single : A 11 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.2) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.732 K(o=-0.73,f=-2.2) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.625 K(o=0.62,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.0102 X(o=-0.01,f=-0.086) USER MOD Single : A 55 GLN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.071 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.255 X(o=0.26,f=0) USER MOD Single : A 73 GLN : amide:sc= -1.91 K(o=-1.9,f=-0.22) USER MOD Single : A 74 LYS NZ :NH3+ 162:sc= -0.0557 (180deg=-0.297) USER MOD Single : A 77 MET CE :methyl -163:sc= -0.521 (180deg=-0.664) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.0212 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ASN A 2 -3.696 9.775 -1.350 1.00 71.33 N ATOM 12 CA ASN A 2 -3.367 9.462 0.039 1.00 2.23 C ATOM 13 C ASN A 2 -3.459 7.958 0.268 1.00 42.22 C ATOM 14 O ASN A 2 -3.859 7.475 1.318 1.00 44.14 O ATOM 15 CB ASN A 2 -4.107 10.351 1.047 1.00 73.33 C ATOM 16 CG ASN A 2 -5.613 10.159 1.016 1.00 25.23 C ATOM 17 OD1 ASN A 2 -6.307 10.846 0.270 1.00 25.23 O ATOM 18 ND2 ASN A 2 -6.147 9.256 1.810 1.00 5.45 N ATOM 0 HA ASN A 2 -2.327 9.724 0.233 1.00 2.23 H new ATOM 0 HB2 ASN A 2 -3.740 10.136 2.050 1.00 73.33 H new ATOM 0 HB3 ASN A 2 -3.875 11.396 0.840 1.00 73.33 H new ATOM 0 HD21 ASN A 2 -7.157 9.115 1.815 1.00 5.45 H new ATOM 0 HD22 ASN A 2 -5.551 8.697 2.421 1.00 5.45 H new ATOM 24 N ILE A 3 -3.034 7.228 -0.756 1.00 54.34 N ATOM 25 CA ILE A 3 -2.866 5.807 -0.826 1.00 30.45 C ATOM 26 C ILE A 3 -1.526 5.663 -1.494 1.00 43.41 C ATOM 27 O ILE A 3 -1.234 6.400 -2.447 1.00 25.31 O ATOM 28 CB ILE A 3 -3.986 5.147 -1.658 1.00 51.54 C ATOM 29 CG1 ILE A 3 -5.283 5.098 -0.841 1.00 63.34 C ATOM 30 CG2 ILE A 3 -3.630 3.752 -2.214 1.00 74.31 C ATOM 31 CD1 ILE A 3 -6.535 4.766 -1.652 1.00 33.45 C ATOM 0 H ILE A 3 -2.777 7.673 -1.637 1.00 54.34 H new ATOM 0 HA ILE A 3 -2.916 5.319 0.147 1.00 30.45 H new ATOM 0 HB ILE A 3 -4.123 5.776 -2.538 1.00 51.54 H new ATOM 0 HG12 ILE A 3 -5.171 4.356 -0.051 1.00 63.34 H new ATOM 0 HG13 ILE A 3 -5.427 6.063 -0.354 1.00 63.34 H new ATOM 0 HG21 ILE A 3 -4.472 3.362 -2.785 1.00 74.31 H new ATOM 0 HG22 ILE A 3 -2.757 3.831 -2.862 1.00 74.31 H new ATOM 0 HG23 ILE A 3 -3.408 3.077 -1.388 1.00 74.31 H new ATOM 0 HD11 ILE A 3 -7.403 4.753 -0.993 1.00 33.45 H new ATOM 0 HD12 ILE A 3 -6.678 5.520 -2.426 1.00 33.45 H new ATOM 0 HD13 ILE A 3 -6.418 3.787 -2.117 1.00 33.45 H new ATOM 42 N VAL A 4 -0.761 4.678 -1.050 1.00 63.42 N ATOM 43 CA VAL A 4 0.391 4.253 -1.796 1.00 23.13 C ATOM 44 C VAL A 4 0.096 2.788 -2.095 1.00 25.31 C ATOM 45 O VAL A 4 -0.268 2.017 -1.205 1.00 72.21 O ATOM 46 CB VAL A 4 1.681 4.632 -1.037 1.00 70.22 C ATOM 47 CG1 VAL A 4 2.865 4.448 -1.986 1.00 41.50 C ATOM 48 CG2 VAL A 4 1.627 6.082 -0.527 1.00 41.30 C ATOM 0 H VAL A 4 -0.923 4.167 -0.182 1.00 63.42 H new ATOM 0 HA VAL A 4 0.578 4.745 -2.750 1.00 23.13 H new ATOM 0 HB VAL A 4 1.788 3.987 -0.165 1.00 70.22 H new ATOM 0 HG11 VAL A 4 3.789 4.710 -1.470 1.00 41.50 H new ATOM 0 HG12 VAL A 4 2.913 3.409 -2.310 1.00 41.50 H new ATOM 0 HG13 VAL A 4 2.739 5.094 -2.855 1.00 41.50 H new ATOM 0 HG21 VAL A 4 2.550 6.316 0.003 1.00 41.30 H new ATOM 0 HG22 VAL A 4 1.511 6.761 -1.372 1.00 41.30 H new ATOM 0 HG23 VAL A 4 0.781 6.198 0.150 1.00 41.30 H new ATOM 58 N MET A 5 0.101 2.437 -3.375 1.00 1.11 N ATOM 59 CA MET A 5 -0.218 1.116 -3.878 1.00 42.53 C ATOM 60 C MET A 5 1.113 0.528 -4.331 1.00 21.21 C ATOM 61 O MET A 5 1.801 1.133 -5.155 1.00 32.21 O ATOM 62 CB MET A 5 -1.289 1.243 -4.971 1.00 1.42 C ATOM 63 CG MET A 5 -1.844 -0.102 -5.440 1.00 64.34 C ATOM 64 SD MET A 5 -0.765 -1.055 -6.534 1.00 63.11 S ATOM 65 CE MET A 5 -1.984 -2.161 -7.283 1.00 43.14 C ATOM 0 H MET A 5 0.338 3.095 -4.117 1.00 1.11 H new ATOM 0 HA MET A 5 -0.657 0.441 -3.144 1.00 42.53 H new ATOM 0 HB2 MET A 5 -2.109 1.855 -4.595 1.00 1.42 H new ATOM 0 HB3 MET A 5 -0.864 1.770 -5.826 1.00 1.42 H new ATOM 0 HG2 MET A 5 -2.068 -0.708 -4.562 1.00 64.34 H new ATOM 0 HG3 MET A 5 -2.788 0.075 -5.955 1.00 64.34 H new ATOM 0 HE1 MET A 5 -1.471 -2.926 -7.866 1.00 43.14 H new ATOM 0 HE2 MET A 5 -2.574 -2.637 -6.499 1.00 43.14 H new ATOM 0 HE3 MET A 5 -2.643 -1.588 -7.935 1.00 43.14 H new ATOM 73 N LEU A 6 1.532 -0.565 -3.694 1.00 45.41 N ATOM 74 CA LEU A 6 2.889 -1.099 -3.752 1.00 24.20 C ATOM 75 C LEU A 6 2.853 -2.332 -4.641 1.00 4.34 C ATOM 76 O LEU A 6 2.481 -3.395 -4.160 1.00 25.34 O ATOM 77 CB LEU A 6 3.425 -1.448 -2.337 1.00 34.13 C ATOM 78 CG LEU A 6 3.539 -0.310 -1.299 1.00 1.40 C ATOM 79 CD1 LEU A 6 4.139 0.935 -1.950 1.00 73.34 C ATOM 80 CD2 LEU A 6 2.227 -0.031 -0.575 1.00 33.00 C ATOM 0 H LEU A 6 0.913 -1.121 -3.104 1.00 45.41 H new ATOM 0 HA LEU A 6 3.568 -0.351 -4.161 1.00 24.20 H new ATOM 0 HB2 LEU A 6 2.779 -2.219 -1.917 1.00 34.13 H new ATOM 0 HB3 LEU A 6 4.414 -1.891 -2.455 1.00 34.13 H new ATOM 0 HG LEU A 6 4.221 -0.639 -0.515 1.00 1.40 H new ATOM 0 HD11 LEU A 6 4.215 1.732 -1.210 1.00 73.34 H new ATOM 0 HD12 LEU A 6 5.131 0.702 -2.335 1.00 73.34 H new ATOM 0 HD13 LEU A 6 3.499 1.261 -2.770 1.00 73.34 H new ATOM 0 HD21 LEU A 6 2.371 0.778 0.141 1.00 33.00 H new ATOM 0 HD22 LEU A 6 1.466 0.257 -1.300 1.00 33.00 H new ATOM 0 HD23 LEU A 6 1.904 -0.929 -0.048 1.00 33.00 H new ATOM 91 N ARG A 7 3.141 -2.205 -5.937 1.00 24.00 N ATOM 92 CA ARG A 7 3.167 -3.344 -6.859 1.00 62.12 C ATOM 93 C ARG A 7 4.448 -4.148 -6.681 1.00 33.30 C ATOM 94 O ARG A 7 5.457 -3.618 -6.219 1.00 54.24 O ATOM 95 CB ARG A 7 3.057 -2.869 -8.321 1.00 34.31 C ATOM 96 CG ARG A 7 1.620 -2.472 -8.670 1.00 53.23 C ATOM 97 CD ARG A 7 1.407 -2.271 -10.177 1.00 10.34 C ATOM 98 NE ARG A 7 0.023 -2.615 -10.549 1.00 24.00 N ATOM 99 CZ ARG A 7 -0.962 -1.805 -10.944 1.00 73.14 C ATOM 100 NH1 ARG A 7 -0.733 -0.530 -11.232 1.00 14.51 N ATOM 101 NH2 ARG A 7 -2.184 -2.319 -11.040 1.00 10.54 N ATOM 0 H ARG A 7 3.363 -1.312 -6.378 1.00 24.00 H new ATOM 0 HA ARG A 7 2.311 -3.978 -6.628 1.00 62.12 H new ATOM 0 HB2 ARG A 7 3.720 -2.019 -8.480 1.00 34.31 H new ATOM 0 HB3 ARG A 7 3.390 -3.663 -8.990 1.00 34.31 H new ATOM 0 HG2 ARG A 7 0.938 -3.243 -8.311 1.00 53.23 H new ATOM 0 HG3 ARG A 7 1.365 -1.551 -8.146 1.00 53.23 H new ATOM 0 HD2 ARG A 7 1.616 -1.236 -10.446 1.00 10.34 H new ATOM 0 HD3 ARG A 7 2.106 -2.893 -10.736 1.00 10.34 H new ATOM 0 HE ARG A 7 -0.214 -3.606 -10.498 1.00 24.00 H new ATOM 0 HH11 ARG A 7 0.211 -0.151 -11.153 1.00 14.51 H new ATOM 0 HH12 ARG A 7 -1.501 0.071 -11.532 1.00 14.51 H new ATOM 0 HH21 ARG A 7 -2.343 -3.301 -10.815 1.00 10.54 H new ATOM 0 HH22 ARG A 7 -2.962 -1.731 -11.339 1.00 10.54 H new ATOM 112 N MET A 8 4.426 -5.392 -7.167 1.00 72.42 N ATOM 113 CA MET A 8 5.554 -6.325 -7.217 1.00 71.03 C ATOM 114 C MET A 8 5.923 -6.885 -5.840 1.00 21.14 C ATOM 115 O MET A 8 7.052 -7.340 -5.628 1.00 21.14 O ATOM 116 CB MET A 8 6.771 -5.727 -7.952 1.00 12.43 C ATOM 117 CG MET A 8 6.397 -4.974 -9.231 1.00 11.20 C ATOM 118 SD MET A 8 7.753 -4.717 -10.400 1.00 74.02 S ATOM 119 CE MET A 8 8.954 -3.878 -9.337 1.00 1.14 C ATOM 0 H MET A 8 3.575 -5.797 -7.557 1.00 72.42 H new ATOM 0 HA MET A 8 5.218 -7.177 -7.808 1.00 71.03 H new ATOM 0 HB2 MET A 8 7.295 -5.048 -7.279 1.00 12.43 H new ATOM 0 HB3 MET A 8 7.466 -6.529 -8.201 1.00 12.43 H new ATOM 0 HG2 MET A 8 5.602 -5.522 -9.737 1.00 11.20 H new ATOM 0 HG3 MET A 8 5.988 -4.002 -8.955 1.00 11.20 H new ATOM 0 HE1 MET A 8 9.632 -3.285 -9.951 1.00 1.14 H new ATOM 0 HE2 MET A 8 8.429 -3.224 -8.641 1.00 1.14 H new ATOM 0 HE3 MET A 8 9.525 -4.619 -8.778 1.00 1.14 H new ATOM 127 N LEU A 9 4.988 -6.849 -4.885 1.00 54.21 N ATOM 128 CA LEU A 9 5.265 -7.251 -3.517 1.00 3.30 C ATOM 129 C LEU A 9 5.513 -8.755 -3.459 1.00 4.41 C ATOM 130 O LEU A 9 4.776 -9.504 -4.109 1.00 63.32 O ATOM 131 CB LEU A 9 4.055 -6.886 -2.636 1.00 10.52 C ATOM 132 CG LEU A 9 4.368 -6.030 -1.406 1.00 1.32 C ATOM 133 CD1 LEU A 9 5.098 -4.732 -1.748 1.00 23.21 C ATOM 134 CD2 LEU A 9 3.063 -5.668 -0.699 1.00 23.31 C ATOM 0 H LEU A 9 4.028 -6.542 -5.044 1.00 54.21 H new ATOM 0 HA LEU A 9 6.154 -6.735 -3.154 1.00 3.30 H new ATOM 0 HB2 LEU A 9 3.328 -6.355 -3.250 1.00 10.52 H new ATOM 0 HB3 LEU A 9 3.579 -7.808 -2.303 1.00 10.52 H new ATOM 0 HG LEU A 9 5.023 -6.625 -0.769 1.00 1.32 H new ATOM 0 HD11 LEU A 9 5.291 -4.171 -0.833 1.00 23.21 H new ATOM 0 HD12 LEU A 9 6.044 -4.965 -2.237 1.00 23.21 H new ATOM 0 HD13 LEU A 9 4.481 -4.133 -2.418 1.00 23.21 H new ATOM 0 HD21 LEU A 9 3.281 -5.058 0.178 1.00 23.31 H new ATOM 0 HD22 LEU A 9 2.423 -5.108 -1.381 1.00 23.31 H new ATOM 0 HD23 LEU A 9 2.552 -6.580 -0.389 1.00 23.31 H new ATOM 145 N PRO A 10 6.440 -9.216 -2.605 1.00 25.21 N ATOM 146 CA PRO A 10 6.712 -10.631 -2.452 1.00 61.33 C ATOM 147 C PRO A 10 5.609 -11.321 -1.670 1.00 62.25 C ATOM 148 O PRO A 10 4.916 -10.722 -0.840 1.00 72.15 O ATOM 149 CB PRO A 10 8.037 -10.728 -1.703 1.00 21.20 C ATOM 150 CG PRO A 10 8.079 -9.429 -0.906 1.00 50.41 C ATOM 151 CD PRO A 10 7.393 -8.433 -1.836 1.00 12.43 C ATOM 0 HA PRO A 10 6.761 -11.125 -3.422 1.00 61.33 H new ATOM 0 HB2 PRO A 10 8.069 -11.602 -1.052 1.00 21.20 H new ATOM 0 HB3 PRO A 10 8.882 -10.809 -2.387 1.00 21.20 H new ATOM 0 HG2 PRO A 10 7.553 -9.522 0.044 1.00 50.41 H new ATOM 0 HG3 PRO A 10 9.102 -9.129 -0.677 1.00 50.41 H new ATOM 0 HD2 PRO A 10 6.891 -7.649 -1.270 1.00 12.43 H new ATOM 0 HD3 PRO A 10 8.116 -7.943 -2.488 1.00 12.43 H new ATOM 156 N GLN A 11 5.545 -12.631 -1.862 1.00 74.23 N ATOM 157 CA GLN A 11 4.593 -13.509 -1.199 1.00 4.53 C ATOM 158 C GLN A 11 5.025 -13.796 0.250 1.00 12.51 C ATOM 159 O GLN A 11 4.343 -14.555 0.934 1.00 11.32 O ATOM 160 CB GLN A 11 4.412 -14.768 -2.075 1.00 30.22 C ATOM 161 CG GLN A 11 3.209 -15.671 -1.753 1.00 31.22 C ATOM 162 CD GLN A 11 1.871 -14.929 -1.722 1.00 45.21 C ATOM 163 OE1 GLN A 11 1.214 -14.718 -2.749 1.00 3.23 O ATOM 164 NE2 GLN A 11 1.424 -14.528 -0.542 1.00 21.14 N ATOM 0 H GLN A 11 6.170 -13.124 -2.499 1.00 74.23 H new ATOM 0 HA GLN A 11 3.617 -13.034 -1.102 1.00 4.53 H new ATOM 0 HB2 GLN A 11 4.329 -14.450 -3.114 1.00 30.22 H new ATOM 0 HB3 GLN A 11 5.318 -15.369 -1.997 1.00 30.22 H new ATOM 0 HG2 GLN A 11 3.155 -16.467 -2.495 1.00 31.22 H new ATOM 0 HG3 GLN A 11 3.372 -16.147 -0.786 1.00 31.22 H new ATOM 0 HE21 GLN A 11 1.973 -14.707 0.299 1.00 21.14 H new ATOM 0 HE22 GLN A 11 0.531 -14.040 -0.474 1.00 21.14 H new ATOM 171 N ALA A 12 6.138 -13.219 0.726 1.00 70.43 N ATOM 172 CA ALA A 12 6.679 -13.415 2.067 1.00 61.22 C ATOM 173 C ALA A 12 6.564 -12.175 2.971 1.00 30.01 C ATOM 174 O ALA A 12 6.622 -12.336 4.195 1.00 51.54 O ATOM 175 CB ALA A 12 8.141 -13.860 1.942 1.00 23.30 C ATOM 0 H ALA A 12 6.702 -12.582 0.163 1.00 70.43 H new ATOM 0 HA ALA A 12 6.079 -14.183 2.555 1.00 61.22 H new ATOM 0 HB1 ALA A 12 8.562 -14.011 2.936 1.00 23.30 H new ATOM 0 HB2 ALA A 12 8.191 -14.793 1.381 1.00 23.30 H new ATOM 0 HB3 ALA A 12 8.712 -13.092 1.420 1.00 23.30 H new ATOM 181 N ALA A 13 6.400 -10.963 2.419 1.00 42.24 N ATOM 182 CA ALA A 13 6.329 -9.733 3.222 1.00 64.01 C ATOM 183 C ALA A 13 5.067 -9.720 4.089 1.00 10.11 C ATOM 184 O ALA A 13 4.115 -10.458 3.804 1.00 64.24 O ATOM 185 CB ALA A 13 6.349 -8.494 2.317 1.00 62.34 C ATOM 0 H ALA A 13 6.314 -10.809 1.414 1.00 42.24 H new ATOM 0 HA ALA A 13 7.202 -9.710 3.874 1.00 64.01 H new ATOM 0 HB1 ALA A 13 6.296 -7.595 2.930 1.00 62.34 H new ATOM 0 HB2 ALA A 13 7.271 -8.483 1.736 1.00 62.34 H new ATOM 0 HB3 ALA A 13 5.494 -8.523 1.641 1.00 62.34 H new ATOM 191 N THR A 14 5.028 -8.837 5.089 1.00 31.43 N ATOM 192 CA THR A 14 3.949 -8.730 6.065 1.00 11.42 C ATOM 193 C THR A 14 3.440 -7.297 6.194 1.00 65.13 C ATOM 194 O THR A 14 4.024 -6.341 5.681 1.00 24.23 O ATOM 195 CB THR A 14 4.420 -9.296 7.419 1.00 73.01 C ATOM 196 OG1 THR A 14 5.509 -8.540 7.909 1.00 72.41 O ATOM 197 CG2 THR A 14 4.827 -10.764 7.300 1.00 34.21 C ATOM 0 H THR A 14 5.772 -8.156 5.244 1.00 31.43 H new ATOM 0 HA THR A 14 3.103 -9.322 5.716 1.00 11.42 H new ATOM 0 HB THR A 14 3.584 -9.229 8.116 1.00 73.01 H new ATOM 0 HG1 THR A 14 5.800 -8.906 8.770 1.00 72.41 H new ATOM 0 HG21 THR A 14 5.154 -11.131 8.273 1.00 34.21 H new ATOM 0 HG22 THR A 14 3.975 -11.351 6.958 1.00 34.21 H new ATOM 0 HG23 THR A 14 5.643 -10.858 6.584 1.00 34.21 H new ATOM 205 N GLU A 15 2.301 -7.156 6.874 1.00 2.53 N ATOM 206 CA GLU A 15 1.705 -5.895 7.259 1.00 21.01 C ATOM 207 C GLU A 15 2.738 -5.001 7.935 1.00 10.50 C ATOM 208 O GLU A 15 2.825 -3.805 7.639 1.00 34.44 O ATOM 209 CB GLU A 15 0.557 -6.210 8.228 1.00 72.35 C ATOM 210 CG GLU A 15 -0.663 -5.337 7.965 1.00 13.23 C ATOM 211 CD GLU A 15 -1.865 -5.733 8.829 1.00 24.41 C ATOM 212 OE1 GLU A 15 -1.706 -5.928 10.058 1.00 41.05 O ATOM 213 OE2 GLU A 15 -2.959 -5.931 8.237 1.00 10.10 O ATOM 0 H GLU A 15 1.752 -7.959 7.181 1.00 2.53 H new ATOM 0 HA GLU A 15 1.335 -5.364 6.382 1.00 21.01 H new ATOM 0 HB2 GLU A 15 0.280 -7.260 8.133 1.00 72.35 H new ATOM 0 HB3 GLU A 15 0.896 -6.061 9.253 1.00 72.35 H new ATOM 0 HG2 GLU A 15 -0.408 -4.295 8.158 1.00 13.23 H new ATOM 0 HG3 GLU A 15 -0.937 -5.409 6.912 1.00 13.23 H new ATOM 218 N ASP A 16 3.504 -5.598 8.845 1.00 10.23 N ATOM 219 CA ASP A 16 4.440 -4.875 9.683 1.00 34.33 C ATOM 220 C ASP A 16 5.709 -4.502 8.925 1.00 22.22 C ATOM 221 O ASP A 16 6.353 -3.519 9.263 1.00 5.33 O ATOM 222 CB ASP A 16 4.764 -5.701 10.932 1.00 54.44 C ATOM 223 CG ASP A 16 4.993 -4.807 12.147 1.00 52.22 C ATOM 224 OD1 ASP A 16 4.168 -3.882 12.351 1.00 65.54 O ATOM 225 OD2 ASP A 16 5.847 -5.170 12.988 1.00 51.05 O ATOM 0 H ASP A 16 3.488 -6.603 9.018 1.00 10.23 H new ATOM 0 HA ASP A 16 3.971 -3.940 9.990 1.00 34.33 H new ATOM 0 HB2 ASP A 16 3.946 -6.392 11.136 1.00 54.44 H new ATOM 0 HB3 ASP A 16 5.653 -6.305 10.750 1.00 54.44 H new ATOM 229 N ASP A 17 6.026 -5.235 7.854 1.00 44.43 N ATOM 230 CA ASP A 17 7.111 -4.934 6.917 1.00 21.24 C ATOM 231 C ASP A 17 6.892 -3.545 6.321 1.00 24.13 C ATOM 232 O ASP A 17 7.762 -2.677 6.368 1.00 31.03 O ATOM 233 CB ASP A 17 7.150 -6.004 5.808 1.00 14.20 C ATOM 234 CG ASP A 17 8.534 -6.573 5.532 1.00 32.24 C ATOM 235 OD1 ASP A 17 9.538 -5.846 5.673 1.00 62.01 O ATOM 236 OD2 ASP A 17 8.575 -7.780 5.201 1.00 11.51 O ATOM 0 H ASP A 17 5.516 -6.083 7.607 1.00 44.43 H new ATOM 0 HA ASP A 17 8.067 -4.945 7.440 1.00 21.24 H new ATOM 0 HB2 ASP A 17 6.483 -6.821 6.084 1.00 14.20 H new ATOM 0 HB3 ASP A 17 6.759 -5.570 4.888 1.00 14.20 H new ATOM 240 N ILE A 18 5.679 -3.308 5.810 1.00 74.42 N ATOM 241 CA ILE A 18 5.303 -2.018 5.242 1.00 74.43 C ATOM 242 C ILE A 18 5.342 -0.952 6.343 1.00 43.45 C ATOM 243 O ILE A 18 5.887 0.128 6.133 1.00 54.12 O ATOM 244 CB ILE A 18 3.920 -2.078 4.554 1.00 74.45 C ATOM 245 CG1 ILE A 18 3.820 -3.246 3.552 1.00 72.22 C ATOM 246 CG2 ILE A 18 3.666 -0.749 3.816 1.00 32.30 C ATOM 247 CD1 ILE A 18 2.483 -3.340 2.811 1.00 10.54 C ATOM 0 H ILE A 18 4.935 -4.006 5.781 1.00 74.42 H new ATOM 0 HA ILE A 18 6.020 -1.751 4.465 1.00 74.43 H new ATOM 0 HB ILE A 18 3.168 -2.240 5.327 1.00 74.45 H new ATOM 0 HG12 ILE A 18 4.620 -3.147 2.819 1.00 72.22 H new ATOM 0 HG13 ILE A 18 3.991 -4.181 4.086 1.00 72.22 H new ATOM 0 HG21 ILE A 18 2.692 -0.784 3.328 1.00 32.30 H new ATOM 0 HG22 ILE A 18 3.684 0.073 4.531 1.00 32.30 H new ATOM 0 HG23 ILE A 18 4.442 -0.595 3.066 1.00 32.30 H new ATOM 0 HD11 ILE A 18 2.504 -4.190 2.129 1.00 10.54 H new ATOM 0 HD12 ILE A 18 1.676 -3.473 3.532 1.00 10.54 H new ATOM 0 HD13 ILE A 18 2.316 -2.424 2.245 1.00 10.54 H new ATOM 258 N ARG A 19 4.764 -1.224 7.518 1.00 65.45 N ATOM 259 CA ARG A 19 4.763 -0.259 8.622 1.00 61.22 C ATOM 260 C ARG A 19 6.192 0.121 9.034 1.00 73.35 C ATOM 261 O ARG A 19 6.446 1.295 9.311 1.00 32.21 O ATOM 262 CB ARG A 19 3.947 -0.810 9.788 1.00 31.22 C ATOM 263 CG ARG A 19 2.457 -0.890 9.422 1.00 52.44 C ATOM 264 CD ARG A 19 1.706 -1.766 10.418 1.00 62.42 C ATOM 265 NE ARG A 19 1.185 -1.006 11.563 1.00 25.51 N ATOM 266 CZ ARG A 19 1.440 -1.189 12.863 1.00 2.23 C ATOM 267 NH1 ARG A 19 2.460 -1.934 13.281 1.00 31.21 N ATOM 268 NH2 ARG A 19 0.639 -0.621 13.759 1.00 52.25 N ATOM 0 H ARG A 19 4.292 -2.103 7.729 1.00 65.45 H new ATOM 0 HA ARG A 19 4.288 0.664 8.288 1.00 61.22 H new ATOM 0 HB2 ARG A 19 4.313 -1.800 10.058 1.00 31.22 H new ATOM 0 HB3 ARG A 19 4.078 -0.172 10.662 1.00 31.22 H new ATOM 0 HG2 ARG A 19 2.025 0.111 9.412 1.00 52.44 H new ATOM 0 HG3 ARG A 19 2.345 -1.295 8.416 1.00 52.44 H new ATOM 0 HD2 ARG A 19 0.879 -2.260 9.909 1.00 62.42 H new ATOM 0 HD3 ARG A 19 2.371 -2.550 10.780 1.00 62.42 H new ATOM 0 HE ARG A 19 0.548 -0.242 11.337 1.00 25.51 H new ATOM 0 HH11 ARG A 19 3.074 -2.385 12.603 1.00 31.21 H new ATOM 0 HH12 ARG A 19 2.628 -2.054 14.280 1.00 31.21 H new ATOM 0 HH21 ARG A 19 -0.153 -0.058 13.450 1.00 52.25 H new ATOM 0 HH22 ARG A 19 0.817 -0.749 14.755 1.00 52.25 H new ATOM 279 N GLY A 20 7.127 -0.829 9.033 1.00 5.51 N ATOM 280 CA GLY A 20 8.535 -0.567 9.286 1.00 11.20 C ATOM 281 C GLY A 20 9.147 0.294 8.185 1.00 22.21 C ATOM 282 O GLY A 20 9.906 1.214 8.490 1.00 73.44 O ATOM 0 H GLY A 20 6.921 -1.812 8.854 1.00 5.51 H new ATOM 0 HA2 GLY A 20 8.646 -0.065 10.247 1.00 11.20 H new ATOM 0 HA3 GLY A 20 9.076 -1.511 9.355 1.00 11.20 H new ATOM 286 N GLN A 21 8.781 0.067 6.918 1.00 31.22 N ATOM 287 CA GLN A 21 9.211 0.876 5.780 1.00 50.24 C ATOM 288 C GLN A 21 8.616 2.292 5.811 1.00 43.21 C ATOM 289 O GLN A 21 8.993 3.113 4.971 1.00 30.24 O ATOM 290 CB GLN A 21 8.854 0.161 4.458 1.00 30.43 C ATOM 291 CG GLN A 21 9.860 -0.928 4.050 1.00 72.35 C ATOM 292 CD GLN A 21 10.962 -0.386 3.134 1.00 13.24 C ATOM 293 OE1 GLN A 21 11.120 -0.812 1.991 1.00 42.33 O ATOM 294 NE2 GLN A 21 11.727 0.595 3.582 1.00 65.25 N ATOM 0 H GLN A 21 8.165 -0.701 6.654 1.00 31.22 H new ATOM 0 HA GLN A 21 10.293 0.988 5.847 1.00 50.24 H new ATOM 0 HB2 GLN A 21 7.866 -0.288 4.554 1.00 30.43 H new ATOM 0 HB3 GLN A 21 8.791 0.902 3.661 1.00 30.43 H new ATOM 0 HG2 GLN A 21 10.312 -1.356 4.945 1.00 72.35 H new ATOM 0 HG3 GLN A 21 9.332 -1.735 3.542 1.00 72.35 H new ATOM 0 HE21 GLN A 21 11.598 0.950 4.529 1.00 65.25 H new ATOM 0 HE22 GLN A 21 12.446 0.997 2.980 1.00 65.25 H new ATOM 301 N LEU A 22 7.708 2.603 6.745 1.00 70.43 N ATOM 302 CA LEU A 22 7.069 3.908 6.855 1.00 34.22 C ATOM 303 C LEU A 22 7.680 4.719 7.991 1.00 1.42 C ATOM 304 O LEU A 22 7.974 5.903 7.797 1.00 32.41 O ATOM 305 CB LEU A 22 5.548 3.741 7.030 1.00 61.41 C ATOM 306 CG LEU A 22 4.905 3.221 5.734 1.00 61.00 C ATOM 307 CD1 LEU A 22 3.544 2.589 5.987 1.00 31.02 C ATOM 308 CD2 LEU A 22 4.679 4.371 4.763 1.00 74.42 C ATOM 0 H LEU A 22 7.396 1.940 7.454 1.00 70.43 H new ATOM 0 HA LEU A 22 7.243 4.463 5.933 1.00 34.22 H new ATOM 0 HB2 LEU A 22 5.345 3.048 7.846 1.00 61.41 H new ATOM 0 HB3 LEU A 22 5.102 4.697 7.305 1.00 61.41 H new ATOM 0 HG LEU A 22 5.590 2.477 5.327 1.00 61.00 H new ATOM 0 HD11 LEU A 22 3.126 2.235 5.044 1.00 31.02 H new ATOM 0 HD12 LEU A 22 3.655 1.749 6.673 1.00 31.02 H new ATOM 0 HD13 LEU A 22 2.875 3.329 6.425 1.00 31.02 H new ATOM 0 HD21 LEU A 22 4.223 3.991 3.849 1.00 74.42 H new ATOM 0 HD22 LEU A 22 4.018 5.108 5.219 1.00 74.42 H new ATOM 0 HD23 LEU A 22 5.634 4.839 4.525 1.00 74.42 H new ATOM 319 N GLN A 23 7.905 4.105 9.157 1.00 22.25 N ATOM 320 CA GLN A 23 8.398 4.807 10.343 1.00 43.14 C ATOM 321 C GLN A 23 9.582 5.723 10.013 1.00 64.11 C ATOM 322 O GLN A 23 9.580 6.907 10.379 1.00 63.22 O ATOM 323 CB GLN A 23 8.806 3.808 11.439 1.00 52.14 C ATOM 324 CG GLN A 23 7.653 3.364 12.355 1.00 33.05 C ATOM 325 CD GLN A 23 8.122 3.342 13.813 1.00 13.21 C ATOM 326 OE1 GLN A 23 8.780 2.406 14.265 1.00 51.45 O ATOM 327 NE2 GLN A 23 7.867 4.404 14.557 1.00 13.13 N ATOM 0 H GLN A 23 7.750 3.108 9.304 1.00 22.25 H new ATOM 0 HA GLN A 23 7.580 5.428 10.708 1.00 43.14 H new ATOM 0 HB2 GLN A 23 9.239 2.926 10.967 1.00 52.14 H new ATOM 0 HB3 GLN A 23 9.588 4.258 12.051 1.00 52.14 H new ATOM 0 HG2 GLN A 23 6.808 4.044 12.246 1.00 33.05 H new ATOM 0 HG3 GLN A 23 7.305 2.374 12.061 1.00 33.05 H new ATOM 0 HE21 GLN A 23 7.321 5.176 14.174 1.00 13.13 H new ATOM 0 HE22 GLN A 23 8.217 4.452 15.514 1.00 13.13 H new ATOM 334 N SER A 24 10.567 5.208 9.275 1.00 34.31 N ATOM 335 CA SER A 24 11.828 5.879 9.038 1.00 13.14 C ATOM 336 C SER A 24 11.801 6.771 7.792 1.00 22.03 C ATOM 337 O SER A 24 12.858 7.252 7.377 1.00 74.33 O ATOM 338 CB SER A 24 12.939 4.822 9.016 1.00 54.44 C ATOM 339 OG SER A 24 13.937 5.177 9.950 1.00 41.53 O ATOM 0 H SER A 24 10.501 4.297 8.821 1.00 34.31 H new ATOM 0 HA SER A 24 12.029 6.577 9.850 1.00 13.14 H new ATOM 0 HB2 SER A 24 12.529 3.842 9.259 1.00 54.44 H new ATOM 0 HB3 SER A 24 13.369 4.749 8.017 1.00 54.44 H new ATOM 0 HG SER A 24 14.648 4.503 9.941 1.00 41.53 H new ATOM 344 N HIS A 25 10.625 7.047 7.209 1.00 42.43 N ATOM 345 CA HIS A 25 10.464 8.141 6.249 1.00 54.41 C ATOM 346 C HIS A 25 9.632 9.283 6.829 1.00 5.35 C ATOM 347 O HIS A 25 9.599 10.365 6.255 1.00 73.33 O ATOM 348 CB HIS A 25 9.860 7.611 4.949 1.00 54.43 C ATOM 349 CG HIS A 25 10.916 6.889 4.166 1.00 72.41 C ATOM 350 ND1 HIS A 25 11.788 7.461 3.267 1.00 51.30 N ATOM 351 CD2 HIS A 25 11.284 5.585 4.340 1.00 32.25 C ATOM 352 CE1 HIS A 25 12.661 6.515 2.890 1.00 52.43 C ATOM 353 NE2 HIS A 25 12.392 5.356 3.517 1.00 74.23 N ATOM 0 H HIS A 25 9.769 6.522 7.389 1.00 42.43 H new ATOM 0 HA HIS A 25 11.449 8.552 6.030 1.00 54.41 H new ATOM 0 HB2 HIS A 25 9.031 6.938 5.168 1.00 54.43 H new ATOM 0 HB3 HIS A 25 9.455 8.435 4.361 1.00 54.43 H new ATOM 0 HD2 HIS A 25 10.809 4.866 4.991 1.00 32.25 H new ATOM 0 HE1 HIS A 25 13.465 6.663 2.184 1.00 52.43 H new ATOM 0 HE2 HIS A 25 12.899 4.477 3.412 1.00 74.23 H new ATOM 360 N GLY A 26 9.030 9.118 8.002 1.00 41.11 N ATOM 361 CA GLY A 26 8.292 10.156 8.711 1.00 24.23 C ATOM 362 C GLY A 26 6.809 9.866 8.612 1.00 50.24 C ATOM 363 O GLY A 26 5.990 10.754 8.828 1.00 74.01 O ATOM 0 H GLY A 26 9.043 8.229 8.501 1.00 41.11 H new ATOM 0 HA2 GLY A 26 8.600 10.189 9.756 1.00 24.23 H new ATOM 0 HA3 GLY A 26 8.513 11.134 8.283 1.00 24.23 H new ATOM 367 N VAL A 27 6.456 8.631 8.266 1.00 13.14 N ATOM 368 CA VAL A 27 5.122 8.191 7.955 1.00 12.53 C ATOM 369 C VAL A 27 4.749 7.036 8.877 1.00 73.41 C ATOM 370 O VAL A 27 5.594 6.455 9.553 1.00 4.25 O ATOM 371 CB VAL A 27 5.011 7.915 6.436 1.00 10.33 C ATOM 372 CG1 VAL A 27 4.427 9.155 5.760 1.00 30.45 C ATOM 373 CG2 VAL A 27 6.290 7.576 5.653 1.00 22.22 C ATOM 0 H VAL A 27 7.140 7.878 8.195 1.00 13.14 H new ATOM 0 HA VAL A 27 4.376 8.961 8.151 1.00 12.53 H new ATOM 0 HB VAL A 27 4.400 7.013 6.401 1.00 10.33 H new ATOM 0 HG11 VAL A 27 4.341 8.979 4.688 1.00 30.45 H new ATOM 0 HG12 VAL A 27 3.440 9.364 6.173 1.00 30.45 H new ATOM 0 HG13 VAL A 27 5.082 10.008 5.936 1.00 30.45 H new ATOM 0 HG21 VAL A 27 6.042 7.411 4.605 1.00 22.22 H new ATOM 0 HG22 VAL A 27 6.995 8.403 5.733 1.00 22.22 H new ATOM 0 HG23 VAL A 27 6.741 6.673 6.066 1.00 22.22 H new ATOM 383 N GLN A 28 3.451 6.758 8.958 1.00 70.10 N ATOM 384 CA GLN A 28 2.848 6.215 10.172 1.00 65.31 C ATOM 385 C GLN A 28 1.860 5.084 9.909 1.00 64.23 C ATOM 386 O GLN A 28 1.546 4.333 10.826 1.00 61.31 O ATOM 387 CB GLN A 28 2.173 7.380 10.913 1.00 23.51 C ATOM 388 CG GLN A 28 1.076 8.102 10.100 1.00 1.12 C ATOM 389 CD GLN A 28 0.801 9.488 10.705 1.00 43.02 C ATOM 390 OE1 GLN A 28 0.570 9.614 11.907 1.00 64.51 O ATOM 391 NE2 GLN A 28 0.871 10.561 9.923 1.00 71.44 N ATOM 0 H GLN A 28 2.793 6.901 8.192 1.00 70.10 H new ATOM 0 HA GLN A 28 3.633 5.763 10.779 1.00 65.31 H new ATOM 0 HB2 GLN A 28 1.735 7.002 11.837 1.00 23.51 H new ATOM 0 HB3 GLN A 28 2.936 8.106 11.196 1.00 23.51 H new ATOM 0 HG2 GLN A 28 1.390 8.205 9.061 1.00 1.12 H new ATOM 0 HG3 GLN A 28 0.162 7.508 10.099 1.00 1.12 H new ATOM 0 HE21 GLN A 28 1.063 10.454 8.927 1.00 71.44 H new ATOM 0 HE22 GLN A 28 0.733 11.491 10.319 1.00 71.44 H new ATOM 398 N ALA A 29 1.430 4.968 8.652 1.00 71.41 N ATOM 399 CA ALA A 29 0.368 4.127 8.139 1.00 24.13 C ATOM 400 C ALA A 29 -0.912 4.147 8.977 1.00 73.23 C ATOM 401 O ALA A 29 -1.073 3.351 9.899 1.00 71.40 O ATOM 402 CB ALA A 29 0.875 2.698 7.887 1.00 14.24 C ATOM 0 H ALA A 29 1.861 5.514 7.906 1.00 71.41 H new ATOM 0 HA ALA A 29 0.075 4.562 7.184 1.00 24.13 H new ATOM 0 HB1 ALA A 29 0.060 2.085 7.502 1.00 14.24 H new ATOM 0 HB2 ALA A 29 1.686 2.723 7.159 1.00 14.24 H new ATOM 0 HB3 ALA A 29 1.240 2.271 8.821 1.00 14.24 H new ATOM 408 N ARG A 30 -1.848 5.033 8.637 1.00 51.23 N ATOM 409 CA ARG A 30 -3.094 5.115 9.387 1.00 70.32 C ATOM 410 C ARG A 30 -4.051 3.971 9.043 1.00 45.13 C ATOM 411 O ARG A 30 -4.858 3.599 9.890 1.00 74.14 O ATOM 412 CB ARG A 30 -3.726 6.499 9.187 1.00 14.01 C ATOM 413 CG ARG A 30 -4.685 6.844 10.339 1.00 62.52 C ATOM 414 CD ARG A 30 -6.140 6.603 9.942 1.00 2.45 C ATOM 415 NE ARG A 30 -7.038 6.905 11.055 1.00 12.13 N ATOM 416 CZ ARG A 30 -8.339 6.631 11.109 1.00 14.21 C ATOM 417 NH1 ARG A 30 -8.947 5.989 10.122 1.00 71.33 N ATOM 418 NH2 ARG A 30 -9.019 7.013 12.177 1.00 45.01 N ATOM 0 H ARG A 30 -1.768 5.691 7.862 1.00 51.23 H new ATOM 0 HA ARG A 30 -2.873 4.995 10.448 1.00 70.32 H new ATOM 0 HB2 ARG A 30 -2.942 7.254 9.124 1.00 14.01 H new ATOM 0 HB3 ARG A 30 -4.267 6.522 8.241 1.00 14.01 H new ATOM 0 HG2 ARG A 30 -4.439 6.240 11.212 1.00 62.52 H new ATOM 0 HG3 ARG A 30 -4.552 7.887 10.625 1.00 62.52 H new ATOM 0 HD2 ARG A 30 -6.395 7.225 9.084 1.00 2.45 H new ATOM 0 HD3 ARG A 30 -6.271 5.566 9.634 1.00 2.45 H new ATOM 0 HE ARG A 30 -6.629 7.369 11.866 1.00 12.13 H new ATOM 0 HH11 ARG A 30 -8.417 5.695 9.302 1.00 71.33 H new ATOM 0 HH12 ARG A 30 -9.945 5.788 10.183 1.00 71.33 H new ATOM 0 HH21 ARG A 30 -8.545 7.505 12.934 1.00 45.01 H new ATOM 0 HH22 ARG A 30 -10.017 6.815 12.243 1.00 45.01 H new ATOM 429 N GLU A 31 -3.978 3.402 7.836 1.00 73.44 N ATOM 430 CA GLU A 31 -4.825 2.275 7.458 1.00 24.13 C ATOM 431 C GLU A 31 -4.065 1.409 6.451 1.00 42.44 C ATOM 432 O GLU A 31 -3.406 1.947 5.554 1.00 14.04 O ATOM 433 CB GLU A 31 -6.124 2.804 6.830 1.00 30.51 C ATOM 434 CG GLU A 31 -7.357 1.996 7.226 1.00 1.13 C ATOM 435 CD GLU A 31 -8.181 2.626 8.353 1.00 45.00 C ATOM 436 OE1 GLU A 31 -8.698 3.759 8.183 1.00 32.11 O ATOM 437 OE2 GLU A 31 -8.412 1.935 9.369 1.00 24.52 O ATOM 0 H GLU A 31 -3.337 3.708 7.104 1.00 73.44 H new ATOM 0 HA GLU A 31 -5.076 1.678 8.334 1.00 24.13 H new ATOM 0 HB2 GLU A 31 -6.267 3.843 7.128 1.00 30.51 H new ATOM 0 HB3 GLU A 31 -6.025 2.795 5.745 1.00 30.51 H new ATOM 0 HG2 GLU A 31 -7.994 1.872 6.350 1.00 1.13 H new ATOM 0 HG3 GLU A 31 -7.042 0.999 7.534 1.00 1.13 H new ATOM 442 N VAL A 32 -4.141 0.076 6.546 1.00 45.15 N ATOM 443 CA VAL A 32 -3.226 -0.785 5.775 1.00 72.15 C ATOM 444 C VAL A 32 -3.937 -2.045 5.252 1.00 2.30 C ATOM 445 O VAL A 32 -4.832 -2.568 5.923 1.00 61.23 O ATOM 446 CB VAL A 32 -1.958 -1.122 6.607 1.00 13.44 C ATOM 447 CG1 VAL A 32 -1.354 0.075 7.364 1.00 4.42 C ATOM 448 CG2 VAL A 32 -2.093 -2.265 7.616 1.00 5.23 C ATOM 0 H VAL A 32 -4.808 -0.424 7.133 1.00 45.15 H new ATOM 0 HA VAL A 32 -2.899 -0.231 4.895 1.00 72.15 H new ATOM 0 HB VAL A 32 -1.292 -1.444 5.807 1.00 13.44 H new ATOM 0 HG11 VAL A 32 -0.473 -0.251 7.917 1.00 4.42 H new ATOM 0 HG12 VAL A 32 -1.069 0.849 6.652 1.00 4.42 H new ATOM 0 HG13 VAL A 32 -2.092 0.475 8.059 1.00 4.42 H new ATOM 0 HG21 VAL A 32 -1.145 -2.406 8.135 1.00 5.23 H new ATOM 0 HG22 VAL A 32 -2.870 -2.021 8.340 1.00 5.23 H new ATOM 0 HG23 VAL A 32 -2.360 -3.183 7.092 1.00 5.23 H new ATOM 458 N ARG A 33 -3.569 -2.548 4.064 1.00 65.53 N ATOM 459 CA ARG A 33 -4.161 -3.741 3.436 1.00 71.23 C ATOM 460 C ARG A 33 -3.065 -4.544 2.723 1.00 52.42 C ATOM 461 O ARG A 33 -2.979 -4.501 1.490 1.00 72.23 O ATOM 462 CB ARG A 33 -5.298 -3.334 2.462 1.00 22.43 C ATOM 463 CG ARG A 33 -6.558 -2.776 3.146 1.00 3.40 C ATOM 464 CD ARG A 33 -7.613 -2.334 2.121 1.00 1.14 C ATOM 465 NE ARG A 33 -8.956 -2.245 2.722 1.00 70.11 N ATOM 466 CZ ARG A 33 -9.927 -1.370 2.425 1.00 51.12 C ATOM 467 NH1 ARG A 33 -9.714 -0.306 1.658 1.00 43.25 N ATOM 468 NH2 ARG A 33 -11.150 -1.585 2.891 1.00 5.40 N ATOM 0 H ARG A 33 -2.833 -2.126 3.498 1.00 65.53 H new ATOM 0 HA ARG A 33 -4.604 -4.375 4.204 1.00 71.23 H new ATOM 0 HB2 ARG A 33 -4.914 -2.585 1.769 1.00 22.43 H new ATOM 0 HB3 ARG A 33 -5.578 -4.204 1.868 1.00 22.43 H new ATOM 0 HG2 ARG A 33 -6.983 -3.536 3.801 1.00 3.40 H new ATOM 0 HG3 ARG A 33 -6.285 -1.929 3.776 1.00 3.40 H new ATOM 0 HD2 ARG A 33 -7.335 -1.365 1.708 1.00 1.14 H new ATOM 0 HD3 ARG A 33 -7.632 -3.041 1.291 1.00 1.14 H new ATOM 0 HE ARG A 33 -9.171 -2.928 3.448 1.00 70.11 H new ATOM 0 HH11 ARG A 33 -8.786 -0.133 1.273 1.00 43.25 H new ATOM 0 HH12 ARG A 33 -10.479 0.337 1.454 1.00 43.25 H new ATOM 0 HH21 ARG A 33 -11.340 -2.406 3.466 1.00 5.40 H new ATOM 0 HH22 ARG A 33 -11.901 -0.929 2.675 1.00 5.40 H new ATOM 479 N LEU A 34 -2.213 -5.244 3.482 1.00 64.03 N ATOM 480 CA LEU A 34 -1.222 -6.180 2.951 1.00 53.32 C ATOM 481 C LEU A 34 -1.868 -7.549 2.716 1.00 10.41 C ATOM 482 O LEU A 34 -2.862 -7.887 3.360 1.00 25.04 O ATOM 483 CB LEU A 34 -0.072 -6.266 3.971 1.00 5.21 C ATOM 484 CG LEU A 34 1.201 -7.069 3.616 1.00 71.22 C ATOM 485 CD1 LEU A 34 1.142 -8.527 4.081 1.00 30.40 C ATOM 486 CD2 LEU A 34 1.684 -7.012 2.166 1.00 45.35 C ATOM 0 H LEU A 34 -2.195 -5.173 4.499 1.00 64.03 H new ATOM 0 HA LEU A 34 -0.834 -5.839 1.991 1.00 53.32 H new ATOM 0 HB2 LEU A 34 0.238 -5.247 4.201 1.00 5.21 H new ATOM 0 HB3 LEU A 34 -0.480 -6.689 4.889 1.00 5.21 H new ATOM 0 HG LEU A 34 1.953 -6.524 4.187 1.00 71.22 H new ATOM 0 HD11 LEU A 34 2.065 -9.036 3.802 1.00 30.40 H new ATOM 0 HD12 LEU A 34 1.024 -8.559 5.164 1.00 30.40 H new ATOM 0 HD13 LEU A 34 0.296 -9.026 3.609 1.00 30.40 H new ATOM 0 HD21 LEU A 34 2.583 -7.618 2.058 1.00 45.35 H new ATOM 0 HD22 LEU A 34 0.905 -7.397 1.508 1.00 45.35 H new ATOM 0 HD23 LEU A 34 1.908 -5.980 1.897 1.00 45.35 H new ATOM 616 N ARG A 44 -2.774 -10.175 -3.482 1.00 50.42 N ATOM 617 CA ARG A 44 -2.580 -10.241 -4.933 1.00 70.15 C ATOM 618 C ARG A 44 -1.178 -9.834 -5.419 1.00 30.10 C ATOM 619 O ARG A 44 -1.018 -9.630 -6.618 1.00 64.44 O ATOM 620 CB ARG A 44 -3.672 -9.383 -5.611 1.00 22.40 C ATOM 621 CG ARG A 44 -4.698 -10.223 -6.376 1.00 42.33 C ATOM 622 CD ARG A 44 -4.139 -10.767 -7.699 1.00 53.32 C ATOM 623 NE ARG A 44 -5.224 -11.120 -8.629 1.00 54.12 N ATOM 624 CZ ARG A 44 -5.180 -12.054 -9.587 1.00 44.13 C ATOM 625 NH1 ARG A 44 -4.138 -12.883 -9.698 1.00 11.44 N ATOM 626 NH2 ARG A 44 -6.196 -12.160 -10.437 1.00 52.52 N ATOM 0 HA ARG A 44 -2.668 -11.289 -5.219 1.00 70.15 H new ATOM 0 HB2 ARG A 44 -4.186 -8.792 -4.853 1.00 22.40 H new ATOM 0 HB3 ARG A 44 -3.201 -8.680 -6.298 1.00 22.40 H new ATOM 0 HG2 ARG A 44 -5.020 -11.056 -5.751 1.00 42.33 H new ATOM 0 HG3 ARG A 44 -5.581 -9.617 -6.579 1.00 42.33 H new ATOM 0 HD2 ARG A 44 -3.491 -10.020 -8.158 1.00 53.32 H new ATOM 0 HD3 ARG A 44 -3.524 -11.645 -7.503 1.00 53.32 H new ATOM 0 HE ARG A 44 -6.097 -10.601 -8.534 1.00 54.12 H new ATOM 0 HH11 ARG A 44 -3.357 -12.811 -9.046 1.00 11.44 H new ATOM 0 HH12 ARG A 44 -4.123 -13.588 -10.435 1.00 11.44 H new ATOM 0 HH21 ARG A 44 -6.997 -11.534 -10.355 1.00 52.52 H new ATOM 0 HH22 ARG A 44 -6.175 -12.867 -11.171 1.00 52.52 H new ATOM 637 N GLY A 45 -0.166 -9.713 -4.551 1.00 4.22 N ATOM 638 CA GLY A 45 1.179 -9.301 -4.966 1.00 42.32 C ATOM 639 C GLY A 45 1.306 -7.788 -5.055 1.00 10.12 C ATOM 640 O GLY A 45 2.192 -7.271 -5.737 1.00 62.42 O ATOM 0 H GLY A 45 -0.255 -9.896 -3.552 1.00 4.22 H new ATOM 0 HA2 GLY A 45 1.912 -9.686 -4.257 1.00 42.32 H new ATOM 0 HA3 GLY A 45 1.411 -9.743 -5.935 1.00 42.32 H new ATOM 644 N PHE A 46 0.427 -7.077 -4.352 1.00 33.12 N ATOM 645 CA PHE A 46 0.568 -5.671 -4.046 1.00 25.22 C ATOM 646 C PHE A 46 0.030 -5.412 -2.643 1.00 74.43 C ATOM 647 O PHE A 46 -0.452 -6.335 -1.981 1.00 4.22 O ATOM 648 CB PHE A 46 -0.127 -4.814 -5.119 1.00 1.51 C ATOM 649 CG PHE A 46 -1.578 -5.160 -5.386 1.00 22.03 C ATOM 650 CD1 PHE A 46 -2.590 -4.809 -4.470 1.00 30.20 C ATOM 651 CD2 PHE A 46 -1.912 -5.852 -6.562 1.00 34.10 C ATOM 652 CE1 PHE A 46 -3.923 -5.176 -4.719 1.00 34.12 C ATOM 653 CE2 PHE A 46 -3.247 -6.187 -6.826 1.00 32.34 C ATOM 654 CZ PHE A 46 -4.248 -5.859 -5.901 1.00 30.00 C ATOM 0 H PHE A 46 -0.427 -7.484 -3.971 1.00 33.12 H new ATOM 0 HA PHE A 46 1.620 -5.384 -4.059 1.00 25.22 H new ATOM 0 HB2 PHE A 46 -0.070 -3.768 -4.818 1.00 1.51 H new ATOM 0 HB3 PHE A 46 0.429 -4.908 -6.052 1.00 1.51 H new ATOM 0 HD1 PHE A 46 -2.340 -4.257 -3.576 1.00 30.20 H new ATOM 0 HD2 PHE A 46 -1.139 -6.126 -7.264 1.00 34.10 H new ATOM 0 HE1 PHE A 46 -4.695 -4.933 -4.003 1.00 34.12 H new ATOM 0 HE2 PHE A 46 -3.505 -6.698 -7.742 1.00 32.34 H new ATOM 0 HZ PHE A 46 -5.274 -6.133 -6.099 1.00 30.00 H new ATOM 663 N ALA A 47 0.051 -4.161 -2.196 1.00 21.43 N ATOM 664 CA ALA A 47 -0.725 -3.700 -1.054 1.00 21.31 C ATOM 665 C ALA A 47 -1.303 -2.329 -1.379 1.00 45.24 C ATOM 666 O ALA A 47 -0.889 -1.707 -2.357 1.00 50.13 O ATOM 667 CB ALA A 47 0.161 -3.656 0.191 1.00 50.44 C ATOM 0 H ALA A 47 0.617 -3.429 -2.625 1.00 21.43 H new ATOM 0 HA ALA A 47 -1.547 -4.386 -0.848 1.00 21.31 H new ATOM 0 HB1 ALA A 47 -0.425 -3.310 1.043 1.00 50.44 H new ATOM 0 HB2 ALA A 47 0.548 -4.654 0.398 1.00 50.44 H new ATOM 0 HB3 ALA A 47 0.993 -2.972 0.022 1.00 50.44 H new ATOM 673 N PHE A 48 -2.235 -1.866 -0.549 1.00 63.35 N ATOM 674 CA PHE A 48 -2.760 -0.512 -0.532 1.00 1.22 C ATOM 675 C PHE A 48 -2.541 -0.042 0.900 1.00 32.10 C ATOM 676 O PHE A 48 -3.201 -0.540 1.819 1.00 65.44 O ATOM 677 CB PHE A 48 -4.260 -0.468 -0.881 1.00 50.41 C ATOM 678 CG PHE A 48 -4.638 -0.457 -2.355 1.00 61.05 C ATOM 679 CD1 PHE A 48 -4.296 -1.528 -3.206 1.00 53.34 C ATOM 680 CD2 PHE A 48 -5.412 0.607 -2.865 1.00 70.31 C ATOM 681 CE1 PHE A 48 -4.736 -1.537 -4.543 1.00 32.41 C ATOM 682 CE2 PHE A 48 -5.833 0.606 -4.207 1.00 11.51 C ATOM 683 CZ PHE A 48 -5.497 -0.469 -5.047 1.00 13.30 C ATOM 0 H PHE A 48 -2.662 -2.458 0.163 1.00 63.35 H new ATOM 0 HA PHE A 48 -2.266 0.116 -1.273 1.00 1.22 H new ATOM 0 HB2 PHE A 48 -4.739 -1.331 -0.417 1.00 50.41 H new ATOM 0 HB3 PHE A 48 -4.687 0.421 -0.417 1.00 50.41 H new ATOM 0 HD1 PHE A 48 -3.695 -2.343 -2.831 1.00 53.34 H new ATOM 0 HD2 PHE A 48 -5.683 1.429 -2.219 1.00 70.31 H new ATOM 0 HE1 PHE A 48 -4.487 -2.369 -5.185 1.00 32.41 H new ATOM 0 HE2 PHE A 48 -6.414 1.431 -4.592 1.00 11.51 H new ATOM 0 HZ PHE A 48 -5.823 -0.474 -6.077 1.00 13.30 H new ATOM 692 N VAL A 49 -1.598 0.860 1.122 1.00 51.33 N ATOM 693 CA VAL A 49 -1.539 1.630 2.351 1.00 12.41 C ATOM 694 C VAL A 49 -2.388 2.890 2.139 1.00 21.02 C ATOM 695 O VAL A 49 -2.490 3.353 1.006 1.00 70.44 O ATOM 696 CB VAL A 49 -0.062 1.871 2.710 1.00 64.35 C ATOM 697 CG1 VAL A 49 0.775 2.728 1.786 1.00 13.42 C ATOM 698 CG2 VAL A 49 0.052 2.317 4.163 1.00 32.21 C ATOM 0 H VAL A 49 -0.855 1.077 0.457 1.00 51.33 H new ATOM 0 HA VAL A 49 -1.959 1.116 3.215 1.00 12.41 H new ATOM 0 HB VAL A 49 0.399 0.895 2.558 1.00 64.35 H new ATOM 0 HG11 VAL A 49 1.790 2.801 2.177 1.00 13.42 H new ATOM 0 HG12 VAL A 49 0.800 2.276 0.794 1.00 13.42 H new ATOM 0 HG13 VAL A 49 0.339 3.725 1.720 1.00 13.42 H new ATOM 0 HG21 VAL A 49 1.100 2.486 4.411 1.00 32.21 H new ATOM 0 HG22 VAL A 49 -0.508 3.241 4.305 1.00 32.21 H new ATOM 0 HG23 VAL A 49 -0.355 1.543 4.814 1.00 32.21 H new ATOM 708 N GLU A 50 -2.997 3.441 3.189 1.00 21.35 N ATOM 709 CA GLU A 50 -3.823 4.637 3.196 1.00 21.52 C ATOM 710 C GLU A 50 -3.222 5.578 4.234 1.00 71.53 C ATOM 711 O GLU A 50 -2.975 5.162 5.373 1.00 11.35 O ATOM 712 CB GLU A 50 -5.267 4.266 3.584 1.00 33.44 C ATOM 713 CG GLU A 50 -6.222 4.462 2.418 1.00 13.35 C ATOM 714 CD GLU A 50 -7.692 4.380 2.822 1.00 71.30 C ATOM 715 OE1 GLU A 50 -8.135 3.251 3.164 1.00 74.20 O ATOM 716 OE2 GLU A 50 -8.399 5.413 2.738 1.00 64.33 O ATOM 0 H GLU A 50 -2.917 3.031 4.119 1.00 21.35 H new ATOM 0 HA GLU A 50 -3.850 5.109 2.214 1.00 21.52 H new ATOM 0 HB2 GLU A 50 -5.301 3.228 3.914 1.00 33.44 H new ATOM 0 HB3 GLU A 50 -5.588 4.879 4.426 1.00 33.44 H new ATOM 0 HG2 GLU A 50 -6.032 5.433 1.960 1.00 13.35 H new ATOM 0 HG3 GLU A 50 -6.018 3.707 1.659 1.00 13.35 H new ATOM 721 N PHE A 51 -2.933 6.817 3.837 1.00 63.11 N ATOM 722 CA PHE A 51 -2.357 7.815 4.712 1.00 22.12 C ATOM 723 C PHE A 51 -3.439 8.837 5.044 1.00 64.31 C ATOM 724 O PHE A 51 -4.313 9.113 4.221 1.00 61.10 O ATOM 725 CB PHE A 51 -1.191 8.477 3.977 1.00 1.24 C ATOM 726 CG PHE A 51 0.030 7.626 3.651 1.00 53.32 C ATOM 727 CD1 PHE A 51 0.145 6.248 3.919 1.00 65.10 C ATOM 728 CD2 PHE A 51 1.097 8.275 3.026 1.00 14.35 C ATOM 729 CE1 PHE A 51 1.323 5.563 3.571 1.00 5.14 C ATOM 730 CE2 PHE A 51 2.289 7.605 2.716 1.00 11.11 C ATOM 731 CZ PHE A 51 2.401 6.244 3.000 1.00 32.15 C ATOM 0 H PHE A 51 -3.097 7.151 2.887 1.00 63.11 H new ATOM 0 HA PHE A 51 -1.989 7.374 5.638 1.00 22.12 H new ATOM 0 HB2 PHE A 51 -1.574 8.882 3.040 1.00 1.24 H new ATOM 0 HB3 PHE A 51 -0.857 9.323 4.577 1.00 1.24 H new ATOM 0 HD1 PHE A 51 -0.670 5.719 4.391 1.00 65.10 H new ATOM 0 HD2 PHE A 51 1.001 9.321 2.775 1.00 14.35 H new ATOM 0 HE1 PHE A 51 1.395 4.500 3.747 1.00 5.14 H new ATOM 0 HE2 PHE A 51 3.112 8.137 2.262 1.00 11.11 H new ATOM 0 HZ PHE A 51 3.318 5.718 2.779 1.00 32.15 H new ATOM 740 N SER A 52 -3.342 9.460 6.216 1.00 65.43 N ATOM 741 CA SER A 52 -4.230 10.545 6.600 1.00 63.23 C ATOM 742 C SER A 52 -3.935 11.848 5.860 1.00 74.54 C ATOM 743 O SER A 52 -4.800 12.722 5.850 1.00 74.53 O ATOM 744 CB SER A 52 -4.127 10.781 8.102 1.00 63.42 C ATOM 745 OG SER A 52 -4.792 9.732 8.790 1.00 31.44 O ATOM 0 H SER A 52 -2.645 9.224 6.923 1.00 65.43 H new ATOM 0 HA SER A 52 -5.240 10.242 6.325 1.00 63.23 H new ATOM 0 HB2 SER A 52 -3.080 10.823 8.404 1.00 63.42 H new ATOM 0 HB3 SER A 52 -4.572 11.741 8.362 1.00 63.42 H new ATOM 0 HG SER A 52 -4.726 9.881 9.756 1.00 31.44 H new ATOM 750 N HIS A 53 -2.765 12.007 5.232 1.00 2.43 N ATOM 751 CA HIS A 53 -2.368 13.274 4.632 1.00 31.45 C ATOM 752 C HIS A 53 -1.831 13.067 3.229 1.00 22.42 C ATOM 753 O HIS A 53 -1.039 12.162 2.963 1.00 13.25 O ATOM 754 CB HIS A 53 -1.367 13.994 5.545 1.00 24.52 C ATOM 755 CG HIS A 53 -2.033 14.456 6.814 1.00 44.12 C ATOM 756 ND1 HIS A 53 -3.139 15.276 6.884 1.00 50.22 N ATOM 757 CD2 HIS A 53 -1.781 13.987 8.075 1.00 62.12 C ATOM 758 CE1 HIS A 53 -3.548 15.289 8.158 1.00 62.44 C ATOM 759 NE2 HIS A 53 -2.729 14.554 8.932 1.00 73.33 N ATOM 0 H HIS A 53 -2.075 11.263 5.129 1.00 2.43 H new ATOM 0 HA HIS A 53 -3.244 13.915 4.534 1.00 31.45 H new ATOM 0 HB2 HIS A 53 -0.541 13.324 5.786 1.00 24.52 H new ATOM 0 HB3 HIS A 53 -0.941 14.849 5.021 1.00 24.52 H new ATOM 0 HD2 HIS A 53 -0.994 13.304 8.357 1.00 62.12 H new ATOM 0 HE1 HIS A 53 -4.418 15.818 8.517 1.00 62.44 H new ATOM 0 HE2 HIS A 53 -2.788 14.434 9.943 1.00 73.33 H new ATOM 766 N LEU A 54 -2.234 13.954 2.324 1.00 64.32 N ATOM 767 CA LEU A 54 -1.721 13.989 0.962 1.00 32.43 C ATOM 768 C LEU A 54 -0.232 14.349 0.927 1.00 45.21 C ATOM 769 O LEU A 54 0.466 13.909 0.013 1.00 41.43 O ATOM 770 CB LEU A 54 -2.610 14.896 0.093 1.00 52.23 C ATOM 771 CG LEU A 54 -2.764 16.364 0.539 1.00 1.23 C ATOM 772 CD1 LEU A 54 -1.656 17.252 -0.029 1.00 11.24 C ATOM 773 CD2 LEU A 54 -4.122 16.897 0.081 1.00 41.52 C ATOM 0 H LEU A 54 -2.931 14.673 2.519 1.00 64.32 H new ATOM 0 HA LEU A 54 -1.773 12.991 0.528 1.00 32.43 H new ATOM 0 HB2 LEU A 54 -2.210 14.891 -0.921 1.00 52.23 H new ATOM 0 HB3 LEU A 54 -3.604 14.451 0.046 1.00 52.23 H new ATOM 0 HG LEU A 54 -2.692 16.390 1.626 1.00 1.23 H new ATOM 0 HD11 LEU A 54 -1.802 18.278 0.310 1.00 11.24 H new ATOM 0 HD12 LEU A 54 -0.687 16.891 0.316 1.00 11.24 H new ATOM 0 HD13 LEU A 54 -1.688 17.221 -1.118 1.00 11.24 H new ATOM 0 HD21 LEU A 54 -4.231 17.935 0.396 1.00 41.52 H new ATOM 0 HD22 LEU A 54 -4.188 16.839 -1.005 1.00 41.52 H new ATOM 0 HD23 LEU A 54 -4.917 16.298 0.525 1.00 41.52 H new ATOM 784 N GLN A 55 0.293 15.083 1.919 1.00 64.30 N ATOM 785 CA GLN A 55 1.732 15.335 2.006 1.00 54.33 C ATOM 786 C GLN A 55 2.505 14.071 2.394 1.00 21.22 C ATOM 787 O GLN A 55 3.639 13.882 1.951 1.00 3.55 O ATOM 788 CB GLN A 55 2.041 16.492 2.970 1.00 13.34 C ATOM 789 CG GLN A 55 1.821 16.215 4.471 1.00 45.31 C ATOM 790 CD GLN A 55 3.104 16.371 5.290 1.00 51.43 C ATOM 791 OE1 GLN A 55 3.682 17.459 5.350 1.00 11.45 O ATOM 792 NE2 GLN A 55 3.577 15.322 5.938 1.00 51.20 N ATOM 0 H GLN A 55 -0.256 15.508 2.666 1.00 64.30 H new ATOM 0 HA GLN A 55 2.068 15.631 1.012 1.00 54.33 H new ATOM 0 HB2 GLN A 55 3.080 16.787 2.826 1.00 13.34 H new ATOM 0 HB3 GLN A 55 1.425 17.346 2.687 1.00 13.34 H new ATOM 0 HG2 GLN A 55 1.063 16.897 4.856 1.00 45.31 H new ATOM 0 HG3 GLN A 55 1.434 15.204 4.598 1.00 45.31 H new ATOM 0 HE21 GLN A 55 3.092 14.427 5.882 1.00 51.20 H new ATOM 0 HE22 GLN A 55 4.428 15.407 6.494 1.00 51.20 H new ATOM 799 N ASP A 56 1.901 13.193 3.205 1.00 50.31 N ATOM 800 CA ASP A 56 2.553 11.979 3.690 1.00 10.23 C ATOM 801 C ASP A 56 2.857 11.099 2.479 1.00 74.11 C ATOM 802 O ASP A 56 3.911 10.466 2.430 1.00 54.33 O ATOM 803 CB ASP A 56 1.684 11.219 4.724 1.00 52.23 C ATOM 804 CG ASP A 56 1.731 11.741 6.165 1.00 21.01 C ATOM 805 OD1 ASP A 56 2.290 12.842 6.384 1.00 65.04 O ATOM 806 OD2 ASP A 56 1.171 11.061 7.062 1.00 34.21 O ATOM 0 H ASP A 56 0.945 13.308 3.541 1.00 50.31 H new ATOM 0 HA ASP A 56 3.472 12.247 4.211 1.00 10.23 H new ATOM 0 HB2 ASP A 56 0.648 11.244 4.385 1.00 52.23 H new ATOM 0 HB3 ASP A 56 1.993 10.174 4.728 1.00 52.23 H new ATOM 810 N ALA A 57 1.956 11.097 1.480 1.00 24.14 N ATOM 811 CA ALA A 57 2.042 10.241 0.306 1.00 33.32 C ATOM 812 C ALA A 57 3.342 10.536 -0.429 1.00 2.15 C ATOM 813 O ALA A 57 4.130 9.624 -0.681 1.00 12.23 O ATOM 814 CB ALA A 57 0.803 10.420 -0.578 1.00 52.44 C ATOM 0 H ALA A 57 1.137 11.705 1.476 1.00 24.14 H new ATOM 0 HA ALA A 57 2.058 9.192 0.601 1.00 33.32 H new ATOM 0 HB1 ALA A 57 0.883 9.773 -1.452 1.00 52.44 H new ATOM 0 HB2 ALA A 57 -0.090 10.156 -0.011 1.00 52.44 H new ATOM 0 HB3 ALA A 57 0.733 11.459 -0.901 1.00 52.44 H new ATOM 820 N THR A 58 3.603 11.813 -0.709 1.00 5.32 N ATOM 821 CA THR A 58 4.842 12.195 -1.368 1.00 74.21 C ATOM 822 C THR A 58 6.042 11.987 -0.451 1.00 22.22 C ATOM 823 O THR A 58 7.091 11.557 -0.925 1.00 22.32 O ATOM 824 CB THR A 58 4.809 13.659 -1.821 1.00 12.34 C ATOM 825 OG1 THR A 58 3.699 14.383 -1.300 1.00 74.13 O ATOM 826 CG2 THR A 58 4.822 13.756 -3.338 1.00 23.34 C ATOM 0 H THR A 58 2.978 12.589 -0.491 1.00 5.32 H new ATOM 0 HA THR A 58 4.942 11.554 -2.244 1.00 74.21 H new ATOM 0 HB THR A 58 5.710 14.119 -1.416 1.00 12.34 H new ATOM 0 HG1 THR A 58 3.732 15.308 -1.621 1.00 74.13 H new ATOM 0 HG21 THR A 58 4.798 14.804 -3.636 1.00 23.34 H new ATOM 0 HG22 THR A 58 5.728 13.290 -3.725 1.00 23.34 H new ATOM 0 HG23 THR A 58 3.949 13.244 -3.743 1.00 23.34 H new ATOM 834 N ARG A 59 5.905 12.285 0.849 1.00 1.42 N ATOM 835 CA ARG A 59 7.022 12.199 1.786 1.00 64.12 C ATOM 836 C ARG A 59 7.585 10.784 1.805 1.00 12.51 C ATOM 837 O ARG A 59 8.794 10.619 1.918 1.00 10.51 O ATOM 838 CB ARG A 59 6.610 12.678 3.184 1.00 52.51 C ATOM 839 CG ARG A 59 7.755 12.547 4.205 1.00 5.54 C ATOM 840 CD ARG A 59 7.469 13.345 5.483 1.00 13.34 C ATOM 841 NE ARG A 59 8.319 14.542 5.578 1.00 3.15 N ATOM 842 CZ ARG A 59 8.223 15.545 6.456 1.00 44.13 C ATOM 843 NH1 ARG A 59 7.282 15.565 7.399 1.00 71.14 N ATOM 844 NH2 ARG A 59 9.090 16.545 6.366 1.00 72.14 N ATOM 0 H ARG A 59 5.027 12.588 1.271 1.00 1.42 H new ATOM 0 HA ARG A 59 7.815 12.866 1.449 1.00 64.12 H new ATOM 0 HB2 ARG A 59 6.291 13.719 3.130 1.00 52.51 H new ATOM 0 HB3 ARG A 59 5.752 12.099 3.526 1.00 52.51 H new ATOM 0 HG2 ARG A 59 7.900 11.496 4.457 1.00 5.54 H new ATOM 0 HG3 ARG A 59 8.684 12.898 3.757 1.00 5.54 H new ATOM 0 HD2 ARG A 59 6.420 13.641 5.500 1.00 13.34 H new ATOM 0 HD3 ARG A 59 7.635 12.710 6.353 1.00 13.34 H new ATOM 0 HE ARG A 59 9.071 14.615 4.892 1.00 3.15 H new ATOM 0 HH11 ARG A 59 6.610 14.801 7.465 1.00 71.14 H new ATOM 0 HH12 ARG A 59 7.234 16.344 8.055 1.00 71.14 H new ATOM 0 HH21 ARG A 59 9.806 16.535 5.640 1.00 72.14 H new ATOM 0 HH22 ARG A 59 9.040 17.324 7.023 1.00 72.14 H new ATOM 855 N TRP A 60 6.726 9.774 1.674 1.00 52.23 N ATOM 856 CA TRP A 60 7.182 8.431 1.379 1.00 31.03 C ATOM 857 C TRP A 60 7.721 8.372 -0.048 1.00 65.04 C ATOM 858 O TRP A 60 8.907 8.103 -0.214 1.00 50.21 O ATOM 859 CB TRP A 60 6.066 7.406 1.646 1.00 3.44 C ATOM 860 CG TRP A 60 6.532 6.014 1.979 1.00 52.30 C ATOM 861 CD1 TRP A 60 7.637 5.703 2.696 1.00 13.14 C ATOM 862 CD2 TRP A 60 5.891 4.729 1.695 1.00 45.31 C ATOM 863 NE1 TRP A 60 7.745 4.338 2.828 1.00 71.14 N ATOM 864 CE2 TRP A 60 6.670 3.686 2.276 1.00 21.31 C ATOM 865 CE3 TRP A 60 4.686 4.344 1.079 1.00 42.22 C ATOM 866 CZ2 TRP A 60 6.257 2.346 2.274 1.00 72.13 C ATOM 867 CZ3 TRP A 60 4.253 3.006 1.085 1.00 30.31 C ATOM 868 CH2 TRP A 60 5.037 2.008 1.674 1.00 10.34 C ATOM 0 H TRP A 60 5.715 9.867 1.769 1.00 52.23 H new ATOM 0 HA TRP A 60 8.003 8.165 2.045 1.00 31.03 H new ATOM 0 HB2 TRP A 60 5.450 7.771 2.468 1.00 3.44 H new ATOM 0 HB3 TRP A 60 5.425 7.355 0.766 1.00 3.44 H new ATOM 0 HD1 TRP A 60 8.332 6.421 3.105 1.00 13.14 H new ATOM 0 HE1 TRP A 60 8.528 3.867 3.281 1.00 71.14 H new ATOM 0 HE3 TRP A 60 4.080 5.093 0.591 1.00 42.22 H new ATOM 0 HZ2 TRP A 60 6.872 1.584 2.729 1.00 72.13 H new ATOM 0 HZ3 TRP A 60 3.308 2.747 0.631 1.00 30.31 H new ATOM 0 HH2 TRP A 60 4.703 0.981 1.666 1.00 10.34 H new ATOM 878 N MET A 61 6.877 8.527 -1.073 1.00 3.22 N ATOM 879 CA MET A 61 7.189 8.109 -2.433 1.00 71.44 C ATOM 880 C MET A 61 8.481 8.715 -2.977 1.00 3.52 C ATOM 881 O MET A 61 9.350 7.969 -3.439 1.00 10.52 O ATOM 882 CB MET A 61 5.984 8.393 -3.338 1.00 5.34 C ATOM 883 CG MET A 61 4.845 7.410 -3.009 1.00 34.41 C ATOM 884 SD MET A 61 3.446 7.290 -4.161 1.00 11.35 S ATOM 885 CE MET A 61 4.267 7.339 -5.770 1.00 13.55 C ATOM 0 H MET A 61 5.954 8.949 -0.976 1.00 3.22 H new ATOM 0 HA MET A 61 7.379 7.036 -2.417 1.00 71.44 H new ATOM 0 HB2 MET A 61 5.644 9.419 -3.196 1.00 5.34 H new ATOM 0 HB3 MET A 61 6.272 8.294 -4.385 1.00 5.34 H new ATOM 0 HG2 MET A 61 5.282 6.416 -2.913 1.00 34.41 H new ATOM 0 HG3 MET A 61 4.447 7.679 -2.031 1.00 34.41 H new ATOM 0 HE1 MET A 61 3.584 6.977 -6.538 1.00 13.55 H new ATOM 0 HE2 MET A 61 4.560 8.364 -5.998 1.00 13.55 H new ATOM 0 HE3 MET A 61 5.154 6.706 -5.745 1.00 13.55 H new ATOM 893 N GLU A 62 8.627 10.037 -2.894 1.00 52.30 N ATOM 894 CA GLU A 62 9.802 10.750 -3.387 1.00 50.11 C ATOM 895 C GLU A 62 11.061 10.233 -2.698 1.00 30.21 C ATOM 896 O GLU A 62 12.097 10.027 -3.326 1.00 51.11 O ATOM 897 CB GLU A 62 9.643 12.250 -3.107 1.00 11.54 C ATOM 898 CG GLU A 62 8.515 12.881 -3.923 1.00 4.44 C ATOM 899 CD GLU A 62 8.932 14.211 -4.543 1.00 64.23 C ATOM 900 OE1 GLU A 62 9.867 14.219 -5.377 1.00 33.03 O ATOM 901 OE2 GLU A 62 8.324 15.247 -4.191 1.00 3.34 O ATOM 0 H GLU A 62 7.925 10.648 -2.478 1.00 52.30 H new ATOM 0 HA GLU A 62 9.894 10.584 -4.460 1.00 50.11 H new ATOM 0 HB2 GLU A 62 9.447 12.399 -2.045 1.00 11.54 H new ATOM 0 HB3 GLU A 62 10.580 12.760 -3.333 1.00 11.54 H new ATOM 0 HG2 GLU A 62 8.210 12.193 -4.712 1.00 4.44 H new ATOM 0 HG3 GLU A 62 7.647 13.036 -3.282 1.00 4.44 H new ATOM 906 N ALA A 63 10.954 9.961 -1.399 1.00 71.41 N ATOM 907 CA ALA A 63 12.071 9.593 -0.540 1.00 43.13 C ATOM 908 C ALA A 63 12.578 8.163 -0.781 1.00 51.51 C ATOM 909 O ALA A 63 13.574 7.778 -0.156 1.00 54.12 O ATOM 910 CB ALA A 63 11.679 9.811 0.922 1.00 2.55 C ATOM 0 H ALA A 63 10.063 9.992 -0.904 1.00 71.41 H new ATOM 0 HA ALA A 63 12.910 10.241 -0.793 1.00 43.13 H new ATOM 0 HB1 ALA A 63 12.513 9.536 1.567 1.00 2.55 H new ATOM 0 HB2 ALA A 63 11.429 10.860 1.079 1.00 2.55 H new ATOM 0 HB3 ALA A 63 10.815 9.192 1.163 1.00 2.55 H new ATOM 916 N ASN A 64 11.941 7.393 -1.676 1.00 5.52 N ATOM 917 CA ASN A 64 12.449 6.116 -2.189 1.00 43.12 C ATOM 918 C ASN A 64 12.561 6.085 -3.706 1.00 71.03 C ATOM 919 O ASN A 64 12.821 5.017 -4.253 1.00 62.33 O ATOM 920 CB ASN A 64 11.670 4.912 -1.640 1.00 12.25 C ATOM 921 CG ASN A 64 12.183 4.572 -0.253 1.00 33.21 C ATOM 922 OD1 ASN A 64 13.300 4.083 -0.104 1.00 3.34 O ATOM 923 ND2 ASN A 64 11.386 4.830 0.762 1.00 12.44 N ATOM 0 H ASN A 64 11.036 7.649 -2.071 1.00 5.52 H new ATOM 0 HA ASN A 64 13.468 6.030 -1.811 1.00 43.12 H new ATOM 0 HB2 ASN A 64 10.605 5.141 -1.600 1.00 12.25 H new ATOM 0 HB3 ASN A 64 11.787 4.055 -2.304 1.00 12.25 H new ATOM 0 HD21 ASN A 64 11.689 4.623 1.714 1.00 12.44 H new ATOM 0 HD22 ASN A 64 10.465 5.237 0.597 1.00 12.44 H new ATOM 929 N GLN A 65 12.386 7.218 -4.393 1.00 32.32 N ATOM 930 CA GLN A 65 12.511 7.313 -5.851 1.00 12.15 C ATOM 931 C GLN A 65 11.467 6.418 -6.517 1.00 50.41 C ATOM 932 O GLN A 65 11.702 5.844 -7.577 1.00 11.14 O ATOM 933 CB GLN A 65 13.946 7.008 -6.337 1.00 33.21 C ATOM 934 CG GLN A 65 15.024 7.903 -5.715 1.00 42.51 C ATOM 935 CD GLN A 65 16.369 7.183 -5.691 1.00 51.30 C ATOM 936 OE1 GLN A 65 17.030 7.015 -6.715 1.00 30.23 O ATOM 937 NE2 GLN A 65 16.809 6.748 -4.526 1.00 3.12 N ATOM 0 H GLN A 65 12.151 8.105 -3.948 1.00 32.32 H new ATOM 0 HA GLN A 65 12.317 8.344 -6.147 1.00 12.15 H new ATOM 0 HB2 GLN A 65 14.180 5.967 -6.113 1.00 33.21 H new ATOM 0 HB3 GLN A 65 13.981 7.116 -7.421 1.00 33.21 H new ATOM 0 HG2 GLN A 65 15.110 8.828 -6.285 1.00 42.51 H new ATOM 0 HG3 GLN A 65 14.735 8.179 -4.701 1.00 42.51 H new ATOM 0 HE21 GLN A 65 16.252 6.893 -3.684 1.00 3.12 H new ATOM 0 HE22 GLN A 65 17.706 6.266 -4.467 1.00 3.12 H new ATOM 944 N HIS A 66 10.306 6.278 -5.872 1.00 44.30 N ATOM 945 CA HIS A 66 9.235 5.374 -6.262 1.00 11.41 C ATOM 946 C HIS A 66 9.604 3.872 -6.249 1.00 22.15 C ATOM 947 O HIS A 66 8.751 3.069 -6.651 1.00 61.33 O ATOM 948 CB HIS A 66 8.572 5.816 -7.585 1.00 30.34 C ATOM 949 CG HIS A 66 7.831 7.130 -7.557 1.00 70.40 C ATOM 950 ND1 HIS A 66 7.078 7.612 -8.600 1.00 23.01 N ATOM 951 CD2 HIS A 66 7.762 8.044 -6.540 1.00 23.14 C ATOM 952 CE1 HIS A 66 6.542 8.779 -8.206 1.00 5.24 C ATOM 953 NE2 HIS A 66 6.912 9.074 -6.949 1.00 62.00 N ATOM 0 H HIS A 66 10.084 6.814 -5.033 1.00 44.30 H new ATOM 0 HA HIS A 66 8.491 5.461 -5.470 1.00 11.41 H new ATOM 0 HB2 HIS A 66 9.345 5.876 -8.351 1.00 30.34 H new ATOM 0 HB3 HIS A 66 7.875 5.037 -7.895 1.00 30.34 H new ATOM 0 HD2 HIS A 66 8.274 7.980 -5.591 1.00 23.14 H new ATOM 0 HE1 HIS A 66 5.900 9.396 -8.817 1.00 5.24 H new ATOM 0 HE2 HIS A 66 6.629 9.887 -6.403 1.00 62.00 H new ATOM 960 N SER A 67 10.770 3.460 -5.727 1.00 31.12 N ATOM 961 CA SER A 67 11.196 2.060 -5.694 1.00 41.14 C ATOM 962 C SER A 67 11.647 1.657 -4.288 1.00 50.11 C ATOM 963 O SER A 67 12.718 2.053 -3.829 1.00 2.52 O ATOM 964 CB SER A 67 12.244 1.768 -6.783 1.00 43.51 C ATOM 965 OG SER A 67 13.041 2.884 -7.166 1.00 51.45 O ATOM 0 H SER A 67 11.448 4.100 -5.313 1.00 31.12 H new ATOM 0 HA SER A 67 10.339 1.429 -5.930 1.00 41.14 H new ATOM 0 HB2 SER A 67 12.903 0.975 -6.429 1.00 43.51 H new ATOM 0 HB3 SER A 67 11.732 1.386 -7.666 1.00 43.51 H new ATOM 0 HG SER A 67 13.678 2.609 -7.858 1.00 51.45 H new ATOM 970 N LEU A 68 10.798 0.903 -3.579 1.00 50.35 N ATOM 971 CA LEU A 68 11.155 0.282 -2.302 1.00 53.54 C ATOM 972 C LEU A 68 11.839 -1.058 -2.561 1.00 64.03 C ATOM 973 O LEU A 68 11.860 -1.562 -3.692 1.00 13.44 O ATOM 974 CB LEU A 68 9.924 0.015 -1.423 1.00 34.32 C ATOM 975 CG LEU A 68 9.143 1.244 -0.954 1.00 50.31 C ATOM 976 CD1 LEU A 68 7.759 0.809 -0.460 1.00 62.22 C ATOM 977 CD2 LEU A 68 9.870 1.969 0.178 1.00 70.33 C ATOM 0 H LEU A 68 9.842 0.707 -3.877 1.00 50.35 H new ATOM 0 HA LEU A 68 11.816 0.976 -1.783 1.00 53.54 H new ATOM 0 HB2 LEU A 68 9.243 -0.632 -1.976 1.00 34.32 H new ATOM 0 HB3 LEU A 68 10.247 -0.541 -0.543 1.00 34.32 H new ATOM 0 HG LEU A 68 9.050 1.928 -1.798 1.00 50.31 H new ATOM 0 HD11 LEU A 68 7.201 1.683 -0.125 1.00 62.22 H new ATOM 0 HD12 LEU A 68 7.219 0.323 -1.272 1.00 62.22 H new ATOM 0 HD13 LEU A 68 7.872 0.111 0.370 1.00 62.22 H new ATOM 0 HD21 LEU A 68 9.288 2.837 0.487 1.00 70.33 H new ATOM 0 HD22 LEU A 68 9.991 1.293 1.024 1.00 70.33 H new ATOM 0 HD23 LEU A 68 10.851 2.295 -0.169 1.00 70.33 H new ATOM 988 N ASN A 69 12.341 -1.684 -1.493 1.00 50.41 N ATOM 989 CA ASN A 69 13.022 -2.966 -1.592 1.00 44.15 C ATOM 990 C ASN A 69 12.745 -3.770 -0.333 1.00 50.43 C ATOM 991 O ASN A 69 13.362 -3.517 0.698 1.00 63.21 O ATOM 992 CB ASN A 69 14.516 -2.706 -1.835 1.00 65.44 C ATOM 993 CG ASN A 69 15.311 -3.945 -2.231 1.00 32.24 C ATOM 994 OD1 ASN A 69 16.405 -4.173 -1.737 1.00 54.52 O ATOM 995 ND2 ASN A 69 14.844 -4.744 -3.178 1.00 62.05 N ATOM 0 H ASN A 69 12.285 -1.315 -0.544 1.00 50.41 H new ATOM 0 HA ASN A 69 12.656 -3.558 -2.431 1.00 44.15 H new ATOM 0 HB2 ASN A 69 14.620 -1.956 -2.619 1.00 65.44 H new ATOM 0 HB3 ASN A 69 14.951 -2.283 -0.930 1.00 65.44 H new ATOM 0 HD21 ASN A 69 15.397 -5.543 -3.490 1.00 62.05 H new ATOM 0 HD22 ASN A 69 13.932 -4.561 -3.596 1.00 62.05 H new ATOM 1001 N ILE A 70 11.784 -4.695 -0.391 1.00 65.25 N ATOM 1002 CA ILE A 70 11.355 -5.486 0.759 1.00 45.15 C ATOM 1003 C ILE A 70 11.718 -6.940 0.513 1.00 61.01 C ATOM 1004 O ILE A 70 11.378 -7.507 -0.532 1.00 21.41 O ATOM 1005 CB ILE A 70 9.855 -5.287 1.061 1.00 41.55 C ATOM 1006 CG1 ILE A 70 9.577 -3.822 1.457 1.00 64.15 C ATOM 1007 CG2 ILE A 70 9.417 -6.207 2.215 1.00 22.40 C ATOM 1008 CD1 ILE A 70 9.095 -2.950 0.298 1.00 62.11 C ATOM 0 H ILE A 70 11.278 -4.916 -1.248 1.00 65.25 H new ATOM 0 HA ILE A 70 11.876 -5.146 1.654 1.00 45.15 H new ATOM 0 HB ILE A 70 9.292 -5.535 0.161 1.00 41.55 H new ATOM 0 HG12 ILE A 70 8.827 -3.805 2.248 1.00 64.15 H new ATOM 0 HG13 ILE A 70 10.487 -3.389 1.871 1.00 64.15 H new ATOM 0 HG21 ILE A 70 8.357 -6.057 2.418 1.00 22.40 H new ATOM 0 HG22 ILE A 70 9.589 -7.247 1.937 1.00 22.40 H new ATOM 0 HG23 ILE A 70 9.995 -5.970 3.109 1.00 22.40 H new ATOM 0 HD11 ILE A 70 8.921 -1.935 0.654 1.00 62.11 H new ATOM 0 HD12 ILE A 70 9.853 -2.935 -0.485 1.00 62.11 H new ATOM 0 HD13 ILE A 70 8.167 -3.358 -0.103 1.00 62.11 H new ATOM 1019 N LEU A 71 12.392 -7.534 1.500 1.00 50.51 N ATOM 1020 CA LEU A 71 12.925 -8.889 1.493 1.00 14.32 C ATOM 1021 C LEU A 71 13.734 -9.135 0.219 1.00 5.34 C ATOM 1022 O LEU A 71 13.715 -10.245 -0.318 1.00 1.11 O ATOM 1023 CB LEU A 71 11.800 -9.921 1.733 1.00 12.12 C ATOM 1024 CG LEU A 71 11.053 -9.780 3.074 1.00 70.43 C ATOM 1025 CD1 LEU A 71 9.948 -10.838 3.155 1.00 25.02 C ATOM 1026 CD2 LEU A 71 12.000 -9.917 4.266 1.00 45.41 C ATOM 0 H LEU A 71 12.590 -7.049 2.375 1.00 50.51 H new ATOM 0 HA LEU A 71 13.621 -9.015 2.322 1.00 14.32 H new ATOM 0 HB2 LEU A 71 11.076 -9.840 0.922 1.00 12.12 H new ATOM 0 HB3 LEU A 71 12.229 -10.921 1.678 1.00 12.12 H new ATOM 0 HG LEU A 71 10.615 -8.783 3.117 1.00 70.43 H new ATOM 0 HD11 LEU A 71 9.419 -10.740 4.103 1.00 25.02 H new ATOM 0 HD12 LEU A 71 9.248 -10.696 2.332 1.00 25.02 H new ATOM 0 HD13 LEU A 71 10.390 -11.832 3.088 1.00 25.02 H new ATOM 0 HD21 LEU A 71 11.436 -9.812 5.193 1.00 45.41 H new ATOM 0 HD22 LEU A 71 12.477 -10.897 4.241 1.00 45.41 H new ATOM 0 HD23 LEU A 71 12.763 -9.140 4.216 1.00 45.41 H new ATOM 1037 N GLY A 72 14.409 -8.100 -0.287 1.00 12.42 N ATOM 1038 CA GLY A 72 15.249 -8.141 -1.465 1.00 51.33 C ATOM 1039 C GLY A 72 14.508 -7.947 -2.786 1.00 1.23 C ATOM 1040 O GLY A 72 15.178 -7.696 -3.792 1.00 34.32 O ATOM 0 H GLY A 72 14.377 -7.174 0.139 1.00 12.42 H new ATOM 0 HA2 GLY A 72 16.013 -7.369 -1.376 1.00 51.33 H new ATOM 0 HA3 GLY A 72 15.766 -9.100 -1.492 1.00 51.33 H new ATOM 1044 N GLN A 73 13.173 -8.011 -2.837 1.00 33.40 N ATOM 1045 CA GLN A 73 12.425 -7.861 -4.073 1.00 14.43 C ATOM 1046 C GLN A 73 12.332 -6.372 -4.391 1.00 74.32 C ATOM 1047 O GLN A 73 12.154 -5.544 -3.494 1.00 23.04 O ATOM 1048 CB GLN A 73 11.022 -8.470 -3.931 1.00 2.54 C ATOM 1049 CG GLN A 73 10.999 -10.004 -4.089 1.00 13.23 C ATOM 1050 CD GLN A 73 11.595 -10.757 -2.898 1.00 4.41 C ATOM 1051 OE1 GLN A 73 12.395 -11.673 -3.046 1.00 4.24 O ATOM 1052 NE2 GLN A 73 11.261 -10.376 -1.680 1.00 70.45 N ATOM 0 H GLN A 73 12.587 -8.169 -2.017 1.00 33.40 H new ATOM 0 HA GLN A 73 12.931 -8.386 -4.883 1.00 14.43 H new ATOM 0 HB2 GLN A 73 10.618 -8.207 -2.954 1.00 2.54 H new ATOM 0 HB3 GLN A 73 10.364 -8.026 -4.678 1.00 2.54 H new ATOM 0 HG2 GLN A 73 9.969 -10.329 -4.234 1.00 13.23 H new ATOM 0 HG3 GLN A 73 11.549 -10.275 -4.990 1.00 13.23 H new ATOM 0 HE21 GLN A 73 10.596 -9.614 -1.548 1.00 70.45 H new ATOM 0 HE22 GLN A 73 11.668 -10.843 -0.870 1.00 70.45 H new ATOM 1059 N LYS A 74 12.451 -6.009 -5.667 1.00 71.31 N ATOM 1060 CA LYS A 74 12.105 -4.678 -6.137 1.00 22.11 C ATOM 1061 C LYS A 74 10.602 -4.538 -5.945 1.00 73.21 C ATOM 1062 O LYS A 74 9.844 -5.466 -6.221 1.00 64.35 O ATOM 1063 CB LYS A 74 12.490 -4.537 -7.624 1.00 24.31 C ATOM 1064 CG LYS A 74 12.157 -3.165 -8.245 1.00 44.32 C ATOM 1065 CD LYS A 74 13.294 -2.136 -8.177 1.00 74.14 C ATOM 1066 CE LYS A 74 14.291 -2.313 -9.332 1.00 14.53 C ATOM 1067 NZ LYS A 74 13.704 -1.973 -10.650 1.00 52.45 N ATOM 0 H LYS A 74 12.790 -6.632 -6.400 1.00 71.31 H new ATOM 0 HA LYS A 74 12.637 -3.899 -5.590 1.00 22.11 H new ATOM 0 HB2 LYS A 74 13.560 -4.718 -7.728 1.00 24.31 H new ATOM 0 HB3 LYS A 74 11.979 -5.313 -8.194 1.00 24.31 H new ATOM 0 HG2 LYS A 74 11.880 -3.312 -9.289 1.00 44.32 H new ATOM 0 HG3 LYS A 74 11.283 -2.755 -7.738 1.00 44.32 H new ATOM 0 HD2 LYS A 74 12.876 -1.130 -8.208 1.00 74.14 H new ATOM 0 HD3 LYS A 74 13.818 -2.235 -7.226 1.00 74.14 H new ATOM 0 HE2 LYS A 74 15.163 -1.684 -9.154 1.00 14.53 H new ATOM 0 HE3 LYS A 74 14.641 -3.345 -9.350 1.00 14.53 H new ATOM 0 HZ1 LYS A 74 14.467 -1.812 -11.339 1.00 52.45 H new ATOM 0 HZ2 LYS A 74 13.104 -2.757 -10.975 1.00 52.45 H new ATOM 0 HZ3 LYS A 74 13.129 -1.111 -10.562 1.00 52.45 H new ATOM 1077 N VAL A 75 10.178 -3.363 -5.517 1.00 24.13 N ATOM 1078 CA VAL A 75 8.784 -2.976 -5.407 1.00 65.32 C ATOM 1079 C VAL A 75 8.661 -1.648 -6.159 1.00 64.22 C ATOM 1080 O VAL A 75 9.649 -0.914 -6.265 1.00 14.13 O ATOM 1081 CB VAL A 75 8.425 -2.907 -3.910 1.00 53.23 C ATOM 1082 CG1 VAL A 75 6.945 -2.602 -3.657 1.00 44.25 C ATOM 1083 CG2 VAL A 75 8.759 -4.224 -3.181 1.00 12.34 C ATOM 0 H VAL A 75 10.819 -2.625 -5.226 1.00 24.13 H new ATOM 0 HA VAL A 75 8.078 -3.680 -5.848 1.00 65.32 H new ATOM 0 HB VAL A 75 9.029 -2.088 -3.520 1.00 53.23 H new ATOM 0 HG11 VAL A 75 6.759 -2.567 -2.584 1.00 44.25 H new ATOM 0 HG12 VAL A 75 6.691 -1.639 -4.101 1.00 44.25 H new ATOM 0 HG13 VAL A 75 6.331 -3.382 -4.107 1.00 44.25 H new ATOM 0 HG21 VAL A 75 8.491 -4.135 -2.128 1.00 12.34 H new ATOM 0 HG22 VAL A 75 8.196 -5.042 -3.631 1.00 12.34 H new ATOM 0 HG23 VAL A 75 9.826 -4.427 -3.268 1.00 12.34 H new ATOM 1093 N SER A 76 7.483 -1.336 -6.703 1.00 74.05 N ATOM 1094 CA SER A 76 7.219 -0.020 -7.280 1.00 45.45 C ATOM 1095 C SER A 76 5.950 0.569 -6.680 1.00 53.11 C ATOM 1096 O SER A 76 4.970 -0.153 -6.488 1.00 53.35 O ATOM 1097 CB SER A 76 7.177 -0.102 -8.809 1.00 50.33 C ATOM 1098 OG SER A 76 6.248 -1.056 -9.311 1.00 25.30 O ATOM 0 H SER A 76 6.695 -1.981 -6.755 1.00 74.05 H new ATOM 0 HA SER A 76 8.034 0.659 -7.030 1.00 45.45 H new ATOM 0 HB2 SER A 76 6.925 0.880 -9.209 1.00 50.33 H new ATOM 0 HB3 SER A 76 8.172 -0.351 -9.177 1.00 50.33 H new ATOM 0 HG SER A 76 5.366 -0.638 -9.400 1.00 25.30 H new ATOM 1103 N MET A 77 5.945 1.874 -6.395 1.00 11.52 N ATOM 1104 CA MET A 77 4.791 2.539 -5.795 1.00 22.12 C ATOM 1105 C MET A 77 4.052 3.428 -6.785 1.00 25.13 C ATOM 1106 O MET A 77 4.626 3.992 -7.725 1.00 34.14 O ATOM 1107 CB MET A 77 5.151 3.305 -4.520 1.00 74.13 C ATOM 1108 CG MET A 77 6.346 4.245 -4.651 1.00 11.54 C ATOM 1109 SD MET A 77 7.744 3.792 -3.594 1.00 3.12 S ATOM 1110 CE MET A 77 7.064 4.074 -1.947 1.00 25.31 C ATOM 0 H MET A 77 6.736 2.493 -6.573 1.00 11.52 H new ATOM 0 HA MET A 77 4.107 1.741 -5.506 1.00 22.12 H new ATOM 0 HB2 MET A 77 4.284 3.885 -4.205 1.00 74.13 H new ATOM 0 HB3 MET A 77 5.358 2.586 -3.728 1.00 74.13 H new ATOM 0 HG2 MET A 77 6.676 4.257 -5.690 1.00 11.54 H new ATOM 0 HG3 MET A 77 6.029 5.259 -4.405 1.00 11.54 H new ATOM 0 HE1 MET A 77 7.877 4.132 -1.223 1.00 25.31 H new ATOM 0 HE2 MET A 77 6.504 5.009 -1.940 1.00 25.31 H new ATOM 0 HE3 MET A 77 6.400 3.251 -1.682 1.00 25.31 H new ATOM 1118 N HIS A 78 2.754 3.556 -6.531 1.00 50.43 N ATOM 1119 CA HIS A 78 1.765 4.190 -7.376 1.00 12.22 C ATOM 1120 C HIS A 78 0.779 4.898 -6.447 1.00 53.51 C ATOM 1121 O HIS A 78 0.268 4.266 -5.522 1.00 42.42 O ATOM 1122 CB HIS A 78 1.054 3.088 -8.189 1.00 3.32 C ATOM 1123 CG HIS A 78 1.983 2.187 -8.973 1.00 41.11 C ATOM 1124 ND1 HIS A 78 2.384 2.370 -10.276 1.00 61.04 N ATOM 1125 CD2 HIS A 78 2.592 1.049 -8.508 1.00 22.14 C ATOM 1126 CE1 HIS A 78 3.204 1.351 -10.591 1.00 43.41 C ATOM 1127 NE2 HIS A 78 3.379 0.529 -9.541 1.00 73.02 N ATOM 0 H HIS A 78 2.344 3.193 -5.670 1.00 50.43 H new ATOM 0 HA HIS A 78 2.205 4.908 -8.068 1.00 12.22 H new ATOM 0 HB2 HIS A 78 0.464 2.475 -7.508 1.00 3.32 H new ATOM 0 HB3 HIS A 78 0.355 3.558 -8.881 1.00 3.32 H new ATOM 0 HD1 HIS A 78 2.110 3.137 -10.890 1.00 61.04 H new ATOM 0 HD2 HIS A 78 2.483 0.629 -7.519 1.00 22.14 H new ATOM 0 HE1 HIS A 78 3.661 1.211 -11.559 1.00 43.41 H new ATOM 1134 N TYR A 79 0.484 6.179 -6.673 1.00 11.44 N ATOM 1135 CA TYR A 79 -0.730 6.794 -6.181 1.00 42.30 C ATOM 1136 C TYR A 79 -1.902 5.989 -6.753 1.00 71.14 C ATOM 1137 O TYR A 79 -1.891 5.642 -7.941 1.00 32.23 O ATOM 1138 CB TYR A 79 -0.744 8.251 -6.671 1.00 52.13 C ATOM 1139 CG TYR A 79 0.469 9.068 -6.262 1.00 22.25 C ATOM 1140 CD1 TYR A 79 0.705 9.334 -4.900 1.00 1.42 C ATOM 1141 CD2 TYR A 79 1.384 9.523 -7.233 1.00 73.20 C ATOM 1142 CE1 TYR A 79 1.844 10.059 -4.508 1.00 4.21 C ATOM 1143 CE2 TYR A 79 2.544 10.218 -6.846 1.00 10.14 C ATOM 1144 CZ TYR A 79 2.783 10.481 -5.477 1.00 21.41 C ATOM 1145 OH TYR A 79 3.925 11.102 -5.079 1.00 25.45 O ATOM 0 H TYR A 79 1.085 6.811 -7.202 1.00 11.44 H new ATOM 0 HA TYR A 79 -0.799 6.797 -5.093 1.00 42.30 H new ATOM 0 HB2 TYR A 79 -0.818 8.254 -7.759 1.00 52.13 H new ATOM 0 HB3 TYR A 79 -1.640 8.740 -6.290 1.00 52.13 H new ATOM 0 HD1 TYR A 79 0.009 8.980 -4.154 1.00 1.42 H new ATOM 0 HD2 TYR A 79 1.193 9.337 -8.280 1.00 73.20 H new ATOM 0 HE1 TYR A 79 2.002 10.294 -3.466 1.00 4.21 H new ATOM 0 HE2 TYR A 79 3.250 10.550 -7.592 1.00 10.14 H new ATOM 0 HH TYR A 79 4.465 11.328 -5.865 1.00 25.45 H new ATOM 1154 N SER A 80 -2.903 5.674 -5.937 1.00 23.33 N ATOM 1155 CA SER A 80 -4.148 5.040 -6.354 1.00 21.44 C ATOM 1156 C SER A 80 -5.267 5.653 -5.513 1.00 30.41 C ATOM 1157 O SER A 80 -4.987 6.408 -4.586 1.00 61.20 O ATOM 1158 CB SER A 80 -4.028 3.518 -6.196 1.00 13.55 C ATOM 1159 OG SER A 80 -4.924 2.834 -7.056 1.00 42.43 O ATOM 0 H SER A 80 -2.868 5.859 -4.935 1.00 23.33 H new ATOM 0 HA SER A 80 -4.372 5.214 -7.406 1.00 21.44 H new ATOM 0 HB2 SER A 80 -3.006 3.208 -6.413 1.00 13.55 H new ATOM 0 HB3 SER A 80 -4.232 3.241 -5.162 1.00 13.55 H new ATOM 0 HG SER A 80 -4.822 1.867 -6.933 1.00 42.43 H new