USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 798 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 84 SER OG : rot 91:sc= 0.42 USER MOD Set 1.2: A 97 SER OG : rot -121:sc= 1.27 USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 58 THR OG1 : rot -139:sc= 0.0137 USER MOD Single : A 9 MET CE :methyl 163:sc= -0.728 (180deg=-1.38) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 7:sc= 0.27 USER MOD Single : A 22 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-2.3!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.51 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.76 K(o=-0.76,f=-2.4) USER MOD Single : A 38 GLN : amide:sc= -0.61 K(o=-0.61,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -148:sc= -0.298 (180deg=-1.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 51 LYS NZ :NH3+ -117:sc= 0.293 (180deg=-3.52!) USER MOD Single : A 53 ASN : amide:sc= -0.681 X(o=-0.68,f=-0.72) USER MOD Single : A 57 ASN : amide:sc= -1.37 K(o=-1.4,f=-4.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.58) USER MOD Single : A 66 THR OG1 : rot 16:sc= 1.04 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.734! USER MOD Single : A 69 SER OG : rot -36:sc= -1.1 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.747 K(o=-0.75,f=-3.3!) USER MOD Single : A 79 THR OG1 : rot -90:sc= -0.0707 USER MOD Single : A 81 TYR OH : rot 110:sc= 0 USER MOD Single : A 86 MET CE :methyl 164:sc= -0.0738 (180deg=-0.453) USER MOD Single : A 88 THR OG1 : rot 57:sc= 1.32 USER MOD Single : A 89 LYS NZ :NH3+ -160:sc=0.000717 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 82:sc= -0.373 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 98 MET CE :methyl -179:sc= 0 (180deg=-0.0019) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-0.56) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -159:sc= -0.724 USER MOD ----------------------------------------------------------------- ATOM 80 N MET A 9 13.337 -3.985 10.121 1.00 0.00 N ATOM 81 CA MET A 9 12.950 -2.583 10.026 1.00 0.00 C ATOM 82 C MET A 9 11.473 -2.403 10.359 1.00 0.00 C ATOM 83 O MET A 9 10.672 -3.320 10.184 1.00 0.00 O ATOM 84 CB MET A 9 13.238 -2.046 8.622 1.00 0.00 C ATOM 85 CG MET A 9 14.682 -1.616 8.420 1.00 0.00 C ATOM 86 SD MET A 9 14.987 -0.960 6.768 1.00 0.00 S ATOM 87 CE MET A 9 13.869 0.439 6.749 1.00 0.00 C ATOM 0 HA MET A 9 13.538 -2.020 10.750 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.991 -2.815 7.890 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.584 -1.197 8.425 1.00 0.00 H new ATOM 0 HG2 MET A 9 14.938 -0.858 9.161 1.00 0.00 H new ATOM 0 HG3 MET A 9 15.339 -2.468 8.595 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.146 1.115 5.941 1.00 0.00 H new ATOM 0 HE2 MET A 9 12.849 0.087 6.594 1.00 0.00 H new ATOM 0 HE3 MET A 9 13.930 0.967 7.701 1.00 0.00 H new ATOM 97 N MET A 10 11.119 -1.215 10.839 1.00 0.00 N ATOM 98 CA MET A 10 9.737 -0.916 11.195 1.00 0.00 C ATOM 99 C MET A 10 8.952 -0.442 9.976 1.00 0.00 C ATOM 100 O MET A 10 9.399 0.417 9.216 1.00 0.00 O ATOM 101 CB MET A 10 9.690 0.150 12.293 1.00 0.00 C ATOM 102 CG MET A 10 10.270 -0.317 13.618 1.00 0.00 C ATOM 103 SD MET A 10 12.041 -0.643 13.524 1.00 0.00 S ATOM 104 CE MET A 10 12.167 -2.120 14.531 1.00 0.00 C ATOM 0 H MET A 10 11.770 -0.444 10.990 1.00 0.00 H new ATOM 0 HA MET A 10 9.277 -1.832 11.567 1.00 0.00 H new ATOM 0 HB2 MET A 10 10.237 1.031 11.957 1.00 0.00 H new ATOM 0 HB3 MET A 10 8.655 0.457 12.446 1.00 0.00 H new ATOM 0 HG2 MET A 10 10.084 0.441 14.379 1.00 0.00 H new ATOM 0 HG3 MET A 10 9.754 -1.223 13.937 1.00 0.00 H new ATOM 0 HE1 MET A 10 13.206 -2.446 14.570 1.00 0.00 H new ATOM 0 HE2 MET A 10 11.817 -1.903 15.540 1.00 0.00 H new ATOM 0 HE3 MET A 10 11.555 -2.910 14.096 1.00 0.00 H new ATOM 114 N PRO A 11 7.754 -1.014 9.784 1.00 0.00 N ATOM 115 CA PRO A 11 6.882 -0.665 8.659 1.00 0.00 C ATOM 116 C PRO A 11 6.300 0.739 8.790 1.00 0.00 C ATOM 117 O PRO A 11 6.361 1.366 9.847 1.00 0.00 O ATOM 118 CB PRO A 11 5.769 -1.714 8.734 1.00 0.00 C ATOM 119 CG PRO A 11 5.739 -2.132 10.163 1.00 0.00 C ATOM 120 CD PRO A 11 7.159 -2.045 10.651 1.00 0.00 C ATOM 0 HA PRO A 11 7.421 -0.662 7.712 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.811 -1.298 8.423 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.977 -2.560 8.078 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.086 -1.482 10.746 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.353 -3.146 10.265 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.206 -1.762 11.703 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.677 -2.999 10.554 1.00 0.00 H new ATOM 128 N PRO A 12 5.721 1.245 7.691 1.00 0.00 N ATOM 129 CA PRO A 12 5.116 2.580 7.659 1.00 0.00 C ATOM 130 C PRO A 12 3.838 2.657 8.487 1.00 0.00 C ATOM 131 O PRO A 12 3.387 1.657 9.046 1.00 0.00 O ATOM 132 CB PRO A 12 4.806 2.793 6.175 1.00 0.00 C ATOM 133 CG PRO A 12 4.660 1.419 5.617 1.00 0.00 C ATOM 134 CD PRO A 12 5.612 0.553 6.396 1.00 0.00 C ATOM 0 HA PRO A 12 5.775 3.337 8.084 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.893 3.374 6.041 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.608 3.339 5.678 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.635 1.063 5.720 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.898 1.402 4.553 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.229 -0.461 6.513 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.580 0.473 5.901 1.00 0.00 H new ATOM 142 N VAL A 13 3.258 3.851 8.561 1.00 0.00 N ATOM 143 CA VAL A 13 2.031 4.059 9.320 1.00 0.00 C ATOM 144 C VAL A 13 1.071 4.977 8.572 1.00 0.00 C ATOM 145 O VAL A 13 1.370 5.443 7.473 1.00 0.00 O ATOM 146 CB VAL A 13 2.323 4.660 10.707 1.00 0.00 C ATOM 147 CG1 VAL A 13 3.201 3.722 11.522 1.00 0.00 C ATOM 148 CG2 VAL A 13 2.975 6.028 10.568 1.00 0.00 C ATOM 0 H VAL A 13 3.618 4.689 8.104 1.00 0.00 H new ATOM 0 HA VAL A 13 1.568 3.080 9.447 1.00 0.00 H new ATOM 0 HB VAL A 13 1.378 4.785 11.236 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.397 4.164 12.499 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.692 2.767 11.651 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.145 3.562 11.001 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.174 6.438 11.558 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.912 5.930 10.020 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.306 6.697 10.026 1.00 0.00 H new ATOM 158 N GLY A 14 -0.086 5.234 9.176 1.00 0.00 N ATOM 159 CA GLY A 14 -1.072 6.097 8.553 1.00 0.00 C ATOM 160 C GLY A 14 -1.627 5.511 7.270 1.00 0.00 C ATOM 161 O GLY A 14 -2.396 6.162 6.563 1.00 0.00 O ATOM 0 H GLY A 14 -0.357 4.860 10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.890 6.273 9.252 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.620 7.066 8.341 1.00 0.00 H new ATOM 165 N VAL A 15 -1.235 4.277 6.967 1.00 0.00 N ATOM 166 CA VAL A 15 -1.698 3.603 5.760 1.00 0.00 C ATOM 167 C VAL A 15 -3.213 3.707 5.618 1.00 0.00 C ATOM 168 O VAL A 15 -3.958 2.987 6.282 1.00 0.00 O ATOM 169 CB VAL A 15 -1.294 2.116 5.757 1.00 0.00 C ATOM 170 CG1 VAL A 15 -1.759 1.439 4.477 1.00 0.00 C ATOM 171 CG2 VAL A 15 0.210 1.973 5.930 1.00 0.00 C ATOM 0 H VAL A 15 -0.598 3.724 7.541 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.222 4.103 4.917 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.782 1.623 6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.465 0.390 4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.844 1.511 4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.302 1.931 3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.478 0.916 5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.720 2.480 5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.511 2.420 6.877 1.00 0.00 H new ATOM 181 N GLN A 16 -3.659 4.607 4.749 1.00 0.00 N ATOM 182 CA GLN A 16 -5.086 4.806 4.520 1.00 0.00 C ATOM 183 C GLN A 16 -5.415 4.730 3.033 1.00 0.00 C ATOM 184 O GLN A 16 -4.534 4.872 2.185 1.00 0.00 O ATOM 185 CB GLN A 16 -5.531 6.156 5.085 1.00 0.00 C ATOM 186 CG GLN A 16 -5.770 6.138 6.586 1.00 0.00 C ATOM 187 CD GLN A 16 -6.226 7.482 7.120 1.00 0.00 C ATOM 188 OE1 GLN A 16 -7.423 7.762 7.191 1.00 0.00 O ATOM 189 NE2 GLN A 16 -5.271 8.323 7.500 1.00 0.00 N ATOM 0 H GLN A 16 -3.054 5.210 4.192 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.625 4.010 5.033 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.773 6.904 4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.448 6.466 4.583 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.521 5.384 6.822 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.851 5.842 7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.291 8.050 7.424 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.517 9.242 7.868 1.00 0.00 H new ATOM 198 N ALA A 17 -6.688 4.504 2.724 1.00 0.00 N ATOM 199 CA ALA A 17 -7.133 4.411 1.339 1.00 0.00 C ATOM 200 C ALA A 17 -8.286 5.371 1.068 1.00 0.00 C ATOM 201 O ALA A 17 -9.272 5.396 1.804 1.00 0.00 O ATOM 202 CB ALA A 17 -7.544 2.983 1.012 1.00 0.00 C ATOM 0 H ALA A 17 -7.429 4.382 3.414 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.300 4.694 0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.874 2.928 -0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.693 2.317 1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.359 2.680 1.669 1.00 0.00 H new ATOM 208 N SER A 18 -8.155 6.161 0.006 1.00 0.00 N ATOM 209 CA SER A 18 -9.185 7.126 -0.360 1.00 0.00 C ATOM 210 C SER A 18 -9.804 6.775 -1.709 1.00 0.00 C ATOM 211 O SER A 18 -9.193 6.981 -2.758 1.00 0.00 O ATOM 212 CB SER A 18 -8.597 8.537 -0.408 1.00 0.00 C ATOM 213 OG SER A 18 -9.579 9.510 -0.097 1.00 0.00 O ATOM 0 H SER A 18 -7.346 6.151 -0.615 1.00 0.00 H new ATOM 0 HA SER A 18 -9.967 7.091 0.399 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.769 8.613 0.297 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.190 8.731 -1.400 1.00 0.00 H new ATOM 0 HG SER A 18 -9.177 10.403 -0.133 1.00 0.00 H new ATOM 219 N ILE A 19 -11.021 6.242 -1.674 1.00 0.00 N ATOM 220 CA ILE A 19 -11.724 5.862 -2.893 1.00 0.00 C ATOM 221 C ILE A 19 -11.985 7.077 -3.778 1.00 0.00 C ATOM 222 O ILE A 19 -12.935 7.829 -3.555 1.00 0.00 O ATOM 223 CB ILE A 19 -13.065 5.173 -2.578 1.00 0.00 C ATOM 224 CG1 ILE A 19 -12.846 3.991 -1.631 1.00 0.00 C ATOM 225 CG2 ILE A 19 -13.737 4.712 -3.863 1.00 0.00 C ATOM 226 CD1 ILE A 19 -11.652 3.138 -1.997 1.00 0.00 C ATOM 0 H ILE A 19 -11.540 6.064 -0.815 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.080 5.160 -3.423 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.720 5.892 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.716 4.368 -0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.740 3.368 -1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.684 4.227 -3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -13.922 5.573 -4.506 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.087 4.006 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.557 2.319 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.789 2.732 -2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.748 3.747 -1.972 1.00 0.00 H new ATOM 238 N LEU A 20 -11.137 7.262 -4.784 1.00 0.00 N ATOM 239 CA LEU A 20 -11.276 8.384 -5.705 1.00 0.00 C ATOM 240 C LEU A 20 -12.350 8.101 -6.750 1.00 0.00 C ATOM 241 O LEU A 20 -13.159 8.970 -7.075 1.00 0.00 O ATOM 242 CB LEU A 20 -9.941 8.673 -6.394 1.00 0.00 C ATOM 243 CG LEU A 20 -8.746 8.908 -5.470 1.00 0.00 C ATOM 244 CD1 LEU A 20 -7.498 9.224 -6.280 1.00 0.00 C ATOM 245 CD2 LEU A 20 -9.044 10.030 -4.487 1.00 0.00 C ATOM 0 H LEU A 20 -10.346 6.649 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.577 9.259 -5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.706 7.837 -7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.064 9.552 -7.026 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.565 7.994 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.658 9.388 -5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.273 8.388 -6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.667 10.122 -6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.182 10.183 -3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.253 10.948 -5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.911 9.763 -3.883 1.00 0.00 H new ATOM 257 N SER A 21 -12.353 6.878 -7.272 1.00 0.00 N ATOM 258 CA SER A 21 -13.327 6.480 -8.282 1.00 0.00 C ATOM 259 C SER A 21 -13.640 4.991 -8.177 1.00 0.00 C ATOM 260 O SER A 21 -13.145 4.302 -7.284 1.00 0.00 O ATOM 261 CB SER A 21 -12.802 6.805 -9.682 1.00 0.00 C ATOM 262 OG SER A 21 -12.831 8.200 -9.926 1.00 0.00 O ATOM 0 H SER A 21 -11.692 6.146 -7.012 1.00 0.00 H new ATOM 0 HA SER A 21 -14.246 7.040 -8.107 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.782 6.436 -9.786 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.406 6.289 -10.429 1.00 0.00 H new ATOM 0 HG SER A 21 -13.082 8.671 -9.104 1.00 0.00 H new ATOM 268 N HIS A 22 -14.467 4.500 -9.094 1.00 0.00 N ATOM 269 CA HIS A 22 -14.848 3.092 -9.106 1.00 0.00 C ATOM 270 C HIS A 22 -13.649 2.208 -9.435 1.00 0.00 C ATOM 271 O HIS A 22 -13.650 1.011 -9.147 1.00 0.00 O ATOM 272 CB HIS A 22 -15.967 2.853 -10.121 1.00 0.00 C ATOM 273 CG HIS A 22 -15.668 3.403 -11.482 1.00 0.00 C ATOM 274 ND1 HIS A 22 -15.900 4.717 -11.830 1.00 0.00 N ATOM 275 CD2 HIS A 22 -15.152 2.809 -12.583 1.00 0.00 C ATOM 276 CE1 HIS A 22 -15.541 4.907 -13.087 1.00 0.00 C ATOM 277 NE2 HIS A 22 -15.083 3.765 -13.567 1.00 0.00 N ATOM 0 H HIS A 22 -14.886 5.056 -9.839 1.00 0.00 H new ATOM 0 HA HIS A 22 -15.208 2.830 -8.111 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -16.149 1.781 -10.203 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.886 3.305 -9.749 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.851 1.776 -12.672 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -15.610 5.838 -13.630 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -14.735 3.617 -14.514 1.00 0.00 H new ATOM 286 N ASP A 23 -12.629 2.805 -10.041 1.00 0.00 N ATOM 287 CA ASP A 23 -11.423 2.072 -10.409 1.00 0.00 C ATOM 288 C ASP A 23 -10.172 2.851 -10.015 1.00 0.00 C ATOM 289 O ASP A 23 -9.080 2.591 -10.522 1.00 0.00 O ATOM 290 CB ASP A 23 -11.411 1.790 -11.912 1.00 0.00 C ATOM 291 CG ASP A 23 -12.411 0.722 -12.309 1.00 0.00 C ATOM 292 OD1 ASP A 23 -12.813 -0.069 -11.430 1.00 0.00 O ATOM 293 OD2 ASP A 23 -12.790 0.676 -13.498 1.00 0.00 O ATOM 0 H ASP A 23 -12.613 3.795 -10.288 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.424 1.125 -9.869 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.632 2.710 -12.453 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.411 1.477 -12.212 1.00 0.00 H new ATOM 298 N THR A 24 -10.338 3.809 -9.108 1.00 0.00 N ATOM 299 CA THR A 24 -9.224 4.627 -8.648 1.00 0.00 C ATOM 300 C THR A 24 -9.184 4.696 -7.125 1.00 0.00 C ATOM 301 O THR A 24 -10.225 4.766 -6.471 1.00 0.00 O ATOM 302 CB THR A 24 -9.306 6.058 -9.213 1.00 0.00 C ATOM 303 OG1 THR A 24 -9.650 6.016 -10.602 1.00 0.00 O ATOM 304 CG2 THR A 24 -7.983 6.787 -9.035 1.00 0.00 C ATOM 0 H THR A 24 -11.234 4.037 -8.678 1.00 0.00 H new ATOM 0 HA THR A 24 -8.313 4.152 -9.012 1.00 0.00 H new ATOM 0 HB THR A 24 -10.077 6.599 -8.664 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.702 6.929 -10.954 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.065 7.795 -9.441 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.738 6.842 -7.974 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.196 6.247 -9.561 1.00 0.00 H new ATOM 312 N ILE A 25 -7.978 4.676 -6.568 1.00 0.00 N ATOM 313 CA ILE A 25 -7.805 4.738 -5.122 1.00 0.00 C ATOM 314 C ILE A 25 -6.547 5.517 -4.752 1.00 0.00 C ATOM 315 O ILE A 25 -5.506 5.376 -5.394 1.00 0.00 O ATOM 316 CB ILE A 25 -7.723 3.330 -4.504 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.004 2.547 -4.794 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.480 3.423 -3.005 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.040 1.183 -4.140 1.00 0.00 C ATOM 0 H ILE A 25 -7.107 4.617 -7.095 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.679 5.252 -4.721 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.885 2.799 -4.956 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.861 3.128 -4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.111 2.427 -5.872 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.424 2.420 -2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.542 3.947 -2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.299 3.969 -2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.977 0.685 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.204 0.584 -4.501 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.965 1.296 -3.058 1.00 0.00 H new ATOM 331 N ARG A 26 -6.650 6.339 -3.713 1.00 0.00 N ATOM 332 CA ARG A 26 -5.521 7.140 -3.257 1.00 0.00 C ATOM 333 C ARG A 26 -4.945 6.579 -1.960 1.00 0.00 C ATOM 334 O ARG A 26 -5.609 6.581 -0.923 1.00 0.00 O ATOM 335 CB ARG A 26 -5.951 8.594 -3.050 1.00 0.00 C ATOM 336 CG ARG A 26 -4.836 9.598 -3.292 1.00 0.00 C ATOM 337 CD ARG A 26 -4.062 9.889 -2.015 1.00 0.00 C ATOM 338 NE ARG A 26 -2.787 10.548 -2.286 1.00 0.00 N ATOM 339 CZ ARG A 26 -2.678 11.829 -2.620 1.00 0.00 C ATOM 340 NH1 ARG A 26 -3.762 12.586 -2.722 1.00 0.00 N ATOM 341 NH2 ARG A 26 -1.482 12.356 -2.851 1.00 0.00 N ATOM 0 H ARG A 26 -7.504 6.468 -3.171 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.747 7.102 -4.024 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.782 8.817 -3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.321 8.713 -2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.156 9.212 -4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.257 10.524 -3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.665 10.520 -1.362 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.882 8.957 -1.480 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.933 9.994 -2.215 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.683 12.185 -2.544 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.675 13.569 -2.979 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.646 11.777 -2.772 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.399 13.340 -3.107 1.00 0.00 H new ATOM 355 N ILE A 27 -3.707 6.101 -2.026 1.00 0.00 N ATOM 356 CA ILE A 27 -3.042 5.538 -0.858 1.00 0.00 C ATOM 357 C ILE A 27 -1.937 6.461 -0.356 1.00 0.00 C ATOM 358 O ILE A 27 -1.043 6.845 -1.111 1.00 0.00 O ATOM 359 CB ILE A 27 -2.441 4.154 -1.165 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.459 3.283 -1.904 1.00 0.00 C ATOM 361 CG2 ILE A 27 -1.989 3.476 0.120 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.595 2.806 -1.027 1.00 0.00 C ATOM 0 H ILE A 27 -3.144 6.092 -2.877 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.801 5.431 -0.084 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.571 4.287 -1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.869 3.848 -2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.947 2.417 -2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.566 2.499 -0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.233 4.091 0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.843 3.352 0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.278 2.194 -1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.195 2.213 -0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.132 3.666 -0.627 1.00 0.00 H new ATOM 374 N THR A 28 -2.003 6.813 0.924 1.00 0.00 N ATOM 375 CA THR A 28 -1.007 7.691 1.527 1.00 0.00 C ATOM 376 C THR A 28 -0.583 7.179 2.899 1.00 0.00 C ATOM 377 O THR A 28 -1.420 6.780 3.709 1.00 0.00 O ATOM 378 CB THR A 28 -1.539 9.129 1.670 1.00 0.00 C ATOM 379 OG1 THR A 28 -2.947 9.107 1.931 1.00 0.00 O ATOM 380 CG2 THR A 28 -1.265 9.935 0.409 1.00 0.00 C ATOM 0 H THR A 28 -2.735 6.504 1.563 1.00 0.00 H new ATOM 0 HA THR A 28 -0.144 7.696 0.861 1.00 0.00 H new ATOM 0 HB THR A 28 -1.022 9.603 2.505 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.277 10.025 2.022 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.650 10.947 0.533 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.191 9.975 0.229 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.758 9.461 -0.440 1.00 0.00 H new ATOM 388 N TRP A 29 0.720 7.195 3.154 1.00 0.00 N ATOM 389 CA TRP A 29 1.255 6.733 4.430 1.00 0.00 C ATOM 390 C TRP A 29 2.278 7.720 4.980 1.00 0.00 C ATOM 391 O TRP A 29 2.641 8.688 4.314 1.00 0.00 O ATOM 392 CB TRP A 29 1.893 5.353 4.269 1.00 0.00 C ATOM 393 CG TRP A 29 2.952 5.309 3.209 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.283 5.572 3.368 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.768 4.984 1.827 1.00 0.00 C ATOM 396 NE1 TRP A 29 4.937 5.430 2.168 1.00 0.00 N ATOM 397 CE2 TRP A 29 4.030 5.069 1.207 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.661 4.627 1.053 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.212 4.811 -0.149 1.00 0.00 C ATOM 400 CZ3 TRP A 29 1.843 4.372 -0.293 1.00 0.00 C ATOM 401 CH2 TRP A 29 3.111 4.464 -0.883 1.00 0.00 C ATOM 0 H TRP A 29 1.426 7.523 2.495 1.00 0.00 H new ATOM 0 HA TRP A 29 0.429 6.663 5.138 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.329 5.049 5.221 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.116 4.627 4.027 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.752 5.851 4.300 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.936 5.571 2.017 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.680 4.552 1.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.188 4.882 -0.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.994 4.097 -0.901 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.221 4.257 -1.937 1.00 0.00 H new ATOM 412 N ALA A 30 2.741 7.468 6.201 1.00 0.00 N ATOM 413 CA ALA A 30 3.725 8.333 6.839 1.00 0.00 C ATOM 414 C ALA A 30 4.885 7.521 7.405 1.00 0.00 C ATOM 415 O ALA A 30 4.732 6.342 7.725 1.00 0.00 O ATOM 416 CB ALA A 30 3.069 9.157 7.938 1.00 0.00 C ATOM 0 H ALA A 30 2.450 6.671 6.767 1.00 0.00 H new ATOM 0 HA ALA A 30 4.124 9.008 6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.815 9.799 8.406 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.279 9.773 7.509 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.642 8.490 8.687 1.00 0.00 H new ATOM 422 N ASP A 31 6.044 8.159 7.524 1.00 0.00 N ATOM 423 CA ASP A 31 7.231 7.496 8.052 1.00 0.00 C ATOM 424 C ASP A 31 7.828 8.290 9.209 1.00 0.00 C ATOM 425 O ASP A 31 8.222 9.444 9.045 1.00 0.00 O ATOM 426 CB ASP A 31 8.274 7.316 6.948 1.00 0.00 C ATOM 427 CG ASP A 31 9.343 6.308 7.320 1.00 0.00 C ATOM 428 OD1 ASP A 31 9.007 5.303 7.981 1.00 0.00 O ATOM 429 OD2 ASP A 31 10.516 6.523 6.949 1.00 0.00 O ATOM 0 H ASP A 31 6.187 9.134 7.262 1.00 0.00 H new ATOM 0 HA ASP A 31 6.934 6.515 8.424 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.778 6.994 6.033 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.743 8.277 6.735 1.00 0.00 H new ATOM 434 N ASN A 32 7.891 7.664 10.380 1.00 0.00 N ATOM 435 CA ASN A 32 8.438 8.313 11.566 1.00 0.00 C ATOM 436 C ASN A 32 9.963 8.335 11.518 1.00 0.00 C ATOM 437 O ASN A 32 10.611 8.958 12.359 1.00 0.00 O ATOM 438 CB ASN A 32 7.967 7.592 12.830 1.00 0.00 C ATOM 439 CG ASN A 32 6.636 8.117 13.333 1.00 0.00 C ATOM 440 OD1 ASN A 32 6.551 9.231 13.850 1.00 0.00 O ATOM 441 ND2 ASN A 32 5.589 7.315 13.182 1.00 0.00 N ATOM 0 H ASN A 32 7.570 6.708 10.533 1.00 0.00 H new ATOM 0 HA ASN A 32 8.077 9.341 11.587 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.880 6.525 12.625 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.718 7.706 13.611 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.667 7.614 13.500 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.706 6.400 12.748 1.00 0.00 H new ATOM 448 N SER A 33 10.529 7.652 10.528 1.00 0.00 N ATOM 449 CA SER A 33 11.978 7.591 10.372 1.00 0.00 C ATOM 450 C SER A 33 12.515 8.887 9.775 1.00 0.00 C ATOM 451 O SER A 33 13.548 9.402 10.205 1.00 0.00 O ATOM 452 CB SER A 33 12.367 6.407 9.485 1.00 0.00 C ATOM 453 OG SER A 33 13.663 5.933 9.806 1.00 0.00 O ATOM 0 H SER A 33 10.007 7.133 9.822 1.00 0.00 H new ATOM 0 HA SER A 33 12.420 7.456 11.359 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.642 5.603 9.608 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.335 6.707 8.438 1.00 0.00 H new ATOM 0 HG SER A 33 13.887 5.175 9.226 1.00 0.00 H new ATOM 459 N LEU A 34 11.807 9.411 8.780 1.00 0.00 N ATOM 460 CA LEU A 34 12.211 10.648 8.122 1.00 0.00 C ATOM 461 C LEU A 34 12.526 11.733 9.147 1.00 0.00 C ATOM 462 O LEU A 34 11.896 11.828 10.201 1.00 0.00 O ATOM 463 CB LEU A 34 11.110 11.129 7.176 1.00 0.00 C ATOM 464 CG LEU A 34 11.090 10.489 5.788 1.00 0.00 C ATOM 465 CD1 LEU A 34 9.740 10.702 5.120 1.00 0.00 C ATOM 466 CD2 LEU A 34 12.209 11.054 4.924 1.00 0.00 C ATOM 0 H LEU A 34 10.950 8.998 8.412 1.00 0.00 H new ATOM 0 HA LEU A 34 13.114 10.445 7.546 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.146 10.948 7.651 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.208 12.208 7.055 1.00 0.00 H new ATOM 0 HG LEU A 34 11.251 9.417 5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.745 10.239 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.957 10.249 5.729 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.549 11.770 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.180 10.587 3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.079 12.131 4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.171 10.849 5.394 1.00 0.00 H new ATOM 478 N PRO A 35 13.523 12.573 8.833 1.00 0.00 N ATOM 479 CA PRO A 35 13.943 13.668 9.713 1.00 0.00 C ATOM 480 C PRO A 35 12.901 14.779 9.793 1.00 0.00 C ATOM 481 O PRO A 35 11.765 14.612 9.347 1.00 0.00 O ATOM 482 CB PRO A 35 15.224 14.183 9.052 1.00 0.00 C ATOM 483 CG PRO A 35 15.085 13.812 7.616 1.00 0.00 C ATOM 484 CD PRO A 35 14.318 12.519 7.594 1.00 0.00 C ATOM 0 HA PRO A 35 14.082 13.334 10.741 1.00 0.00 H new ATOM 0 HB2 PRO A 35 15.327 15.261 9.174 1.00 0.00 H new ATOM 0 HB3 PRO A 35 16.109 13.726 9.495 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.557 14.588 7.062 1.00 0.00 H new ATOM 0 HG3 PRO A 35 16.062 13.694 7.147 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.682 12.444 6.712 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.984 11.657 7.581 1.00 0.00 H new ATOM 492 N LYS A 36 13.294 15.913 10.362 1.00 0.00 N ATOM 493 CA LYS A 36 12.396 17.053 10.500 1.00 0.00 C ATOM 494 C LYS A 36 11.462 17.157 9.298 1.00 0.00 C ATOM 495 O LYS A 36 10.251 16.970 9.423 1.00 0.00 O ATOM 496 CB LYS A 36 13.199 18.347 10.648 1.00 0.00 C ATOM 497 CG LYS A 36 12.402 19.493 11.247 1.00 0.00 C ATOM 498 CD LYS A 36 13.280 20.703 11.515 1.00 0.00 C ATOM 499 CE LYS A 36 13.545 21.493 10.242 1.00 0.00 C ATOM 500 NZ LYS A 36 12.393 22.363 9.879 1.00 0.00 N ATOM 0 H LYS A 36 14.230 16.067 10.736 1.00 0.00 H new ATOM 0 HA LYS A 36 11.793 16.903 11.396 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.070 18.155 11.275 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.571 18.648 9.669 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.596 19.771 10.568 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.937 19.167 12.177 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.799 21.347 12.251 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.227 20.378 11.947 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.436 22.107 10.374 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.752 20.804 9.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.613 22.884 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.548 21.775 9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.212 23.038 10.649 1.00 0.00 H new ATOM 514 N HIS A 37 12.032 17.456 8.135 1.00 0.00 N ATOM 515 CA HIS A 37 11.250 17.583 6.911 1.00 0.00 C ATOM 516 C HIS A 37 10.788 16.215 6.417 1.00 0.00 C ATOM 517 O HIS A 37 11.253 15.182 6.899 1.00 0.00 O ATOM 518 CB HIS A 37 12.071 18.279 5.826 1.00 0.00 C ATOM 519 CG HIS A 37 13.453 17.721 5.670 1.00 0.00 C ATOM 520 ND1 HIS A 37 13.743 16.647 4.855 1.00 0.00 N ATOM 521 CD2 HIS A 37 14.627 18.097 6.229 1.00 0.00 C ATOM 522 CE1 HIS A 37 15.036 16.385 4.921 1.00 0.00 C ATOM 523 NE2 HIS A 37 15.596 17.250 5.748 1.00 0.00 N ATOM 0 H HIS A 37 13.032 17.615 8.015 1.00 0.00 H new ATOM 0 HA HIS A 37 10.370 18.186 7.133 1.00 0.00 H new ATOM 0 HB2 HIS A 37 11.545 18.196 4.875 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.141 19.341 6.060 1.00 0.00 H new ATOM 0 HD2 HIS A 37 14.775 18.911 6.923 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.549 15.597 4.389 1.00 0.00 H new ATOM 0 HE2 HIS A 37 16.586 17.284 5.990 1.00 0.00 H new ATOM 532 N GLN A 38 9.871 16.217 5.455 1.00 0.00 N ATOM 533 CA GLN A 38 9.346 14.976 4.897 1.00 0.00 C ATOM 534 C GLN A 38 9.938 14.706 3.518 1.00 0.00 C ATOM 535 O GLN A 38 9.210 14.484 2.550 1.00 0.00 O ATOM 536 CB GLN A 38 7.821 15.038 4.808 1.00 0.00 C ATOM 537 CG GLN A 38 7.147 13.683 4.952 1.00 0.00 C ATOM 538 CD GLN A 38 6.834 13.338 6.395 1.00 0.00 C ATOM 539 OE1 GLN A 38 5.679 13.384 6.819 1.00 0.00 O ATOM 540 NE2 GLN A 38 7.863 12.989 7.158 1.00 0.00 N ATOM 0 H GLN A 38 9.476 17.064 5.046 1.00 0.00 H new ATOM 0 HA GLN A 38 9.631 14.159 5.560 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.447 15.705 5.585 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.539 15.475 3.850 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.224 13.677 4.372 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.793 12.913 4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.804 12.964 6.765 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.713 12.746 8.137 1.00 0.00 H new ATOM 549 N LYS A 39 11.264 14.725 3.434 1.00 0.00 N ATOM 550 CA LYS A 39 11.955 14.481 2.174 1.00 0.00 C ATOM 551 C LYS A 39 12.806 13.217 2.256 1.00 0.00 C ATOM 552 O LYS A 39 13.625 13.068 3.163 1.00 0.00 O ATOM 553 CB LYS A 39 12.836 15.679 1.811 1.00 0.00 C ATOM 554 CG LYS A 39 13.315 15.667 0.370 1.00 0.00 C ATOM 555 CD LYS A 39 12.248 16.190 -0.577 1.00 0.00 C ATOM 556 CE LYS A 39 12.315 17.704 -0.710 1.00 0.00 C ATOM 557 NZ LYS A 39 11.530 18.389 0.354 1.00 0.00 N ATOM 0 H LYS A 39 11.882 14.907 4.225 1.00 0.00 H new ATOM 0 HA LYS A 39 11.203 14.342 1.397 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.278 16.598 1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.702 15.696 2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.214 16.277 0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.589 14.651 0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.374 15.732 -1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.263 15.899 -0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.355 18.027 -0.660 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.936 18.000 -1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.142 19.279 -0.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.751 17.773 0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.149 18.595 1.164 1.00 0.00 H new ATOM 571 N ILE A 40 12.608 12.313 1.303 1.00 0.00 N ATOM 572 CA ILE A 40 13.359 11.064 1.267 1.00 0.00 C ATOM 573 C ILE A 40 14.705 11.252 0.575 1.00 0.00 C ATOM 574 O ILE A 40 14.769 11.470 -0.635 1.00 0.00 O ATOM 575 CB ILE A 40 12.573 9.955 0.544 1.00 0.00 C ATOM 576 CG1 ILE A 40 11.148 9.868 1.094 1.00 0.00 C ATOM 577 CG2 ILE A 40 13.286 8.619 0.690 1.00 0.00 C ATOM 578 CD1 ILE A 40 10.370 8.680 0.571 1.00 0.00 C ATOM 0 H ILE A 40 11.934 12.422 0.545 1.00 0.00 H new ATOM 0 HA ILE A 40 13.524 10.765 2.302 1.00 0.00 H new ATOM 0 HB ILE A 40 12.518 10.201 -0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.190 9.814 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.613 10.783 0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.718 7.845 0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 40 14.283 8.689 0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.369 8.364 1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.369 8.682 1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.297 8.742 -0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.883 7.759 0.848 1.00 0.00 H new ATOM 590 N THR A 41 15.781 11.165 1.351 1.00 0.00 N ATOM 591 CA THR A 41 17.126 11.325 0.814 1.00 0.00 C ATOM 592 C THR A 41 17.968 10.079 1.062 1.00 0.00 C ATOM 593 O THR A 41 19.169 10.171 1.317 1.00 0.00 O ATOM 594 CB THR A 41 17.837 12.543 1.433 1.00 0.00 C ATOM 595 OG1 THR A 41 17.501 12.655 2.820 1.00 0.00 O ATOM 596 CG2 THR A 41 17.448 13.823 0.707 1.00 0.00 C ATOM 0 H THR A 41 15.747 10.984 2.354 1.00 0.00 H new ATOM 0 HA THR A 41 17.021 11.482 -0.260 1.00 0.00 H new ATOM 0 HB THR A 41 18.913 12.398 1.331 1.00 0.00 H new ATOM 0 HG1 THR A 41 17.959 13.431 3.206 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.962 14.670 1.162 1.00 0.00 H new ATOM 0 HG22 THR A 41 17.732 13.747 -0.343 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.371 13.970 0.781 1.00 0.00 H new ATOM 604 N ASP A 42 17.332 8.916 0.985 1.00 0.00 N ATOM 605 CA ASP A 42 18.025 7.650 1.200 1.00 0.00 C ATOM 606 C ASP A 42 17.777 6.692 0.039 1.00 0.00 C ATOM 607 O ASP A 42 16.773 6.800 -0.665 1.00 0.00 O ATOM 608 CB ASP A 42 17.568 7.010 2.512 1.00 0.00 C ATOM 609 CG ASP A 42 18.105 5.604 2.688 1.00 0.00 C ATOM 610 OD1 ASP A 42 19.339 5.450 2.794 1.00 0.00 O ATOM 611 OD2 ASP A 42 17.291 4.657 2.719 1.00 0.00 O ATOM 0 H ASP A 42 16.338 8.823 0.775 1.00 0.00 H new ATOM 0 HA ASP A 42 19.094 7.854 1.258 1.00 0.00 H new ATOM 0 HB2 ASP A 42 17.896 7.628 3.348 1.00 0.00 H new ATOM 0 HB3 ASP A 42 16.479 6.986 2.541 1.00 0.00 H new ATOM 616 N SER A 43 18.700 5.755 -0.155 1.00 0.00 N ATOM 617 CA SER A 43 18.584 4.780 -1.234 1.00 0.00 C ATOM 618 C SER A 43 17.597 3.677 -0.866 1.00 0.00 C ATOM 619 O SER A 43 17.980 2.521 -0.683 1.00 0.00 O ATOM 620 CB SER A 43 19.952 4.172 -1.548 1.00 0.00 C ATOM 621 OG SER A 43 19.945 3.524 -2.809 1.00 0.00 O ATOM 0 H SER A 43 19.536 5.650 0.420 1.00 0.00 H new ATOM 0 HA SER A 43 18.211 5.296 -2.119 1.00 0.00 H new ATOM 0 HB2 SER A 43 20.711 4.954 -1.542 1.00 0.00 H new ATOM 0 HB3 SER A 43 20.223 3.458 -0.770 1.00 0.00 H new ATOM 0 HG SER A 43 20.831 3.145 -2.987 1.00 0.00 H new ATOM 627 N ARG A 44 16.324 4.043 -0.758 1.00 0.00 N ATOM 628 CA ARG A 44 15.280 3.086 -0.411 1.00 0.00 C ATOM 629 C ARG A 44 14.088 3.216 -1.353 1.00 0.00 C ATOM 630 O ARG A 44 13.967 4.197 -2.088 1.00 0.00 O ATOM 631 CB ARG A 44 14.827 3.296 1.035 1.00 0.00 C ATOM 632 CG ARG A 44 14.453 4.734 1.353 1.00 0.00 C ATOM 633 CD ARG A 44 13.840 4.857 2.740 1.00 0.00 C ATOM 634 NE ARG A 44 14.063 6.178 3.321 1.00 0.00 N ATOM 635 CZ ARG A 44 13.762 6.489 4.577 1.00 0.00 C ATOM 636 NH1 ARG A 44 13.228 5.577 5.379 1.00 0.00 N ATOM 637 NH2 ARG A 44 13.994 7.713 5.033 1.00 0.00 N ATOM 0 H ARG A 44 15.991 4.996 -0.906 1.00 0.00 H new ATOM 0 HA ARG A 44 15.693 2.083 -0.513 1.00 0.00 H new ATOM 0 HB2 ARG A 44 13.969 2.654 1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.625 2.980 1.706 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.340 5.364 1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.747 5.101 0.608 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.769 4.663 2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.267 4.097 3.394 1.00 0.00 H new ATOM 0 HE ARG A 44 14.472 6.902 2.730 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.048 4.635 5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.998 5.818 6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.404 8.417 4.419 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.762 7.950 5.998 1.00 0.00 H new ATOM 651 N TYR A 45 13.209 2.220 -1.328 1.00 0.00 N ATOM 652 CA TYR A 45 12.027 2.221 -2.182 1.00 0.00 C ATOM 653 C TYR A 45 10.831 1.609 -1.459 1.00 0.00 C ATOM 654 O TYR A 45 10.984 0.698 -0.644 1.00 0.00 O ATOM 655 CB TYR A 45 12.305 1.451 -3.474 1.00 0.00 C ATOM 656 CG TYR A 45 12.377 -0.047 -3.282 1.00 0.00 C ATOM 657 CD1 TYR A 45 13.397 -0.623 -2.533 1.00 0.00 C ATOM 658 CD2 TYR A 45 11.428 -0.887 -3.850 1.00 0.00 C ATOM 659 CE1 TYR A 45 13.467 -1.991 -2.355 1.00 0.00 C ATOM 660 CE2 TYR A 45 11.490 -2.256 -3.676 1.00 0.00 C ATOM 661 CZ TYR A 45 12.512 -2.803 -2.928 1.00 0.00 C ATOM 662 OH TYR A 45 12.578 -4.167 -2.754 1.00 0.00 O ATOM 0 H TYR A 45 13.293 1.401 -0.725 1.00 0.00 H new ATOM 0 HA TYR A 45 11.789 3.256 -2.428 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.523 1.679 -4.198 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.246 1.800 -3.900 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.147 0.010 -2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.628 -0.463 -4.438 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.266 -2.422 -1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.743 -2.895 -4.123 1.00 0.00 H new ATOM 0 HH TYR A 45 11.830 -4.593 -3.222 1.00 0.00 H new ATOM 672 N TYR A 46 9.642 2.116 -1.763 1.00 0.00 N ATOM 673 CA TYR A 46 8.419 1.622 -1.141 1.00 0.00 C ATOM 674 C TYR A 46 7.664 0.693 -2.087 1.00 0.00 C ATOM 675 O TYR A 46 7.450 1.016 -3.256 1.00 0.00 O ATOM 676 CB TYR A 46 7.521 2.791 -0.732 1.00 0.00 C ATOM 677 CG TYR A 46 7.966 3.481 0.537 1.00 0.00 C ATOM 678 CD1 TYR A 46 7.750 2.899 1.780 1.00 0.00 C ATOM 679 CD2 TYR A 46 8.603 4.715 0.493 1.00 0.00 C ATOM 680 CE1 TYR A 46 8.154 3.527 2.943 1.00 0.00 C ATOM 681 CE2 TYR A 46 9.012 5.349 1.651 1.00 0.00 C ATOM 682 CZ TYR A 46 8.785 4.751 2.873 1.00 0.00 C ATOM 683 OH TYR A 46 9.190 5.380 4.028 1.00 0.00 O ATOM 0 H TYR A 46 9.499 2.869 -2.436 1.00 0.00 H new ATOM 0 HA TYR A 46 8.697 1.058 -0.251 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.496 3.520 -1.542 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.502 2.427 -0.599 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.258 1.939 1.838 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.782 5.187 -0.462 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.976 3.062 3.901 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.507 6.308 1.599 1.00 0.00 H new ATOM 0 HH TYR A 46 9.619 6.232 3.803 1.00 0.00 H new ATOM 693 N THR A 47 7.262 -0.466 -1.573 1.00 0.00 N ATOM 694 CA THR A 47 6.532 -1.443 -2.370 1.00 0.00 C ATOM 695 C THR A 47 5.119 -1.643 -1.834 1.00 0.00 C ATOM 696 O THR A 47 4.930 -2.016 -0.676 1.00 0.00 O ATOM 697 CB THR A 47 7.257 -2.802 -2.394 1.00 0.00 C ATOM 698 OG1 THR A 47 8.602 -2.632 -2.853 1.00 0.00 O ATOM 699 CG2 THR A 47 6.529 -3.788 -3.296 1.00 0.00 C ATOM 0 H THR A 47 7.430 -0.750 -0.608 1.00 0.00 H new ATOM 0 HA THR A 47 6.481 -1.049 -3.385 1.00 0.00 H new ATOM 0 HB THR A 47 7.268 -3.201 -1.380 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.056 -3.500 -2.864 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.059 -4.740 -3.297 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.514 -3.938 -2.927 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.491 -3.393 -4.311 1.00 0.00 H new ATOM 707 N VAL A 48 4.128 -1.394 -2.685 1.00 0.00 N ATOM 708 CA VAL A 48 2.731 -1.549 -2.298 1.00 0.00 C ATOM 709 C VAL A 48 2.131 -2.815 -2.898 1.00 0.00 C ATOM 710 O VAL A 48 2.323 -3.105 -4.079 1.00 0.00 O ATOM 711 CB VAL A 48 1.889 -0.337 -2.738 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.421 -0.558 -2.408 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.405 0.936 -2.082 1.00 0.00 C ATOM 0 H VAL A 48 4.267 -1.084 -3.647 1.00 0.00 H new ATOM 0 HA VAL A 48 2.711 -1.621 -1.211 1.00 0.00 H new ATOM 0 HB VAL A 48 1.981 -0.226 -3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.158 0.309 -2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.061 -1.446 -2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.307 -0.696 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.799 1.783 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.344 0.837 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.442 1.101 -2.374 1.00 0.00 H new ATOM 723 N ARG A 49 1.404 -3.566 -2.078 1.00 0.00 N ATOM 724 CA ARG A 49 0.776 -4.802 -2.528 1.00 0.00 C ATOM 725 C ARG A 49 -0.744 -4.670 -2.532 1.00 0.00 C ATOM 726 O ARG A 49 -1.303 -3.800 -1.864 1.00 0.00 O ATOM 727 CB ARG A 49 1.194 -5.968 -1.629 1.00 0.00 C ATOM 728 CG ARG A 49 0.318 -6.133 -0.399 1.00 0.00 C ATOM 729 CD ARG A 49 1.049 -6.873 0.711 1.00 0.00 C ATOM 730 NE ARG A 49 1.142 -8.306 0.445 1.00 0.00 N ATOM 731 CZ ARG A 49 1.325 -9.219 1.392 1.00 0.00 C ATOM 732 NH1 ARG A 49 1.433 -8.850 2.661 1.00 0.00 N ATOM 733 NH2 ARG A 49 1.399 -10.504 1.071 1.00 0.00 N ATOM 0 H ARG A 49 1.235 -3.340 -1.098 1.00 0.00 H new ATOM 0 HA ARG A 49 1.109 -4.999 -3.547 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.168 -6.890 -2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.226 -5.819 -1.312 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.005 -5.153 -0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.587 -6.678 -0.666 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.051 -6.459 0.823 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.530 -6.713 1.656 1.00 0.00 H new ATOM 0 HE ARG A 49 1.062 -8.623 -0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.376 -7.863 2.912 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.573 -9.553 3.386 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.315 -10.792 0.096 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.540 -11.204 1.799 1.00 0.00 H new ATOM 747 N TRP A 50 -1.406 -5.536 -3.290 1.00 0.00 N ATOM 748 CA TRP A 50 -2.861 -5.516 -3.382 1.00 0.00 C ATOM 749 C TRP A 50 -3.380 -6.763 -4.089 1.00 0.00 C ATOM 750 O TRP A 50 -2.807 -7.210 -5.083 1.00 0.00 O ATOM 751 CB TRP A 50 -3.328 -4.262 -4.125 1.00 0.00 C ATOM 752 CG TRP A 50 -3.050 -4.306 -5.597 1.00 0.00 C ATOM 753 CD1 TRP A 50 -3.891 -4.750 -6.577 1.00 0.00 C ATOM 754 CD2 TRP A 50 -1.848 -3.892 -6.255 1.00 0.00 C ATOM 755 NE1 TRP A 50 -3.284 -4.637 -7.804 1.00 0.00 N ATOM 756 CE2 TRP A 50 -2.030 -4.112 -7.634 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.636 -3.355 -5.813 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -1.045 -3.815 -8.572 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.341 -3.060 -6.745 1.00 0.00 C ATOM 760 CH2 TRP A 50 0.132 -3.290 -8.111 1.00 0.00 C ATOM 0 H TRP A 50 -0.958 -6.261 -3.850 1.00 0.00 H new ATOM 0 HA TRP A 50 -3.264 -5.502 -2.369 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.399 -4.133 -3.968 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.836 -3.389 -3.695 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.887 -5.134 -6.412 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -3.700 -4.901 -8.697 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.466 -3.174 -4.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -1.204 -3.992 -9.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.282 -2.645 -6.415 1.00 0.00 H new ATOM 0 HH2 TRP A 50 0.915 -3.048 -8.814 1.00 0.00 H new ATOM 771 N LYS A 51 -4.468 -7.322 -3.571 1.00 0.00 N ATOM 772 CA LYS A 51 -5.066 -8.518 -4.153 1.00 0.00 C ATOM 773 C LYS A 51 -6.577 -8.527 -3.945 1.00 0.00 C ATOM 774 O LYS A 51 -7.134 -7.627 -3.315 1.00 0.00 O ATOM 775 CB LYS A 51 -4.448 -9.774 -3.535 1.00 0.00 C ATOM 776 CG LYS A 51 -4.747 -9.935 -2.055 1.00 0.00 C ATOM 777 CD LYS A 51 -6.093 -10.603 -1.828 1.00 0.00 C ATOM 778 CE LYS A 51 -6.150 -11.296 -0.475 1.00 0.00 C ATOM 779 NZ LYS A 51 -7.385 -12.114 -0.322 1.00 0.00 N ATOM 0 H LYS A 51 -4.954 -6.966 -2.748 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.864 -8.510 -5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.816 -10.650 -4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.368 -9.745 -3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.962 -10.528 -1.587 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.739 -8.958 -1.573 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.886 -9.857 -1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.277 -11.330 -2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.275 -11.935 -0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.109 -10.549 0.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.958 -11.734 0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.935 -12.081 -1.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.125 -13.099 -0.113 1.00 0.00 H new ATOM 793 N THR A 52 -7.237 -9.552 -4.476 1.00 0.00 N ATOM 794 CA THR A 52 -8.683 -9.679 -4.348 1.00 0.00 C ATOM 795 C THR A 52 -9.055 -10.547 -3.152 1.00 0.00 C ATOM 796 O THR A 52 -8.472 -11.608 -2.938 1.00 0.00 O ATOM 797 CB THR A 52 -9.309 -10.282 -5.620 1.00 0.00 C ATOM 798 OG1 THR A 52 -8.851 -11.627 -5.801 1.00 0.00 O ATOM 799 CG2 THR A 52 -8.953 -9.451 -6.844 1.00 0.00 C ATOM 0 H THR A 52 -6.792 -10.306 -4.999 1.00 0.00 H new ATOM 0 HA THR A 52 -9.076 -8.673 -4.200 1.00 0.00 H new ATOM 0 HB THR A 52 -10.393 -10.280 -5.501 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.255 -12.004 -6.611 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.406 -9.896 -7.730 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.328 -8.436 -6.716 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.870 -9.426 -6.964 1.00 0.00 H new ATOM 807 N ASN A 53 -10.031 -10.088 -2.375 1.00 0.00 N ATOM 808 CA ASN A 53 -10.481 -10.823 -1.199 1.00 0.00 C ATOM 809 C ASN A 53 -11.143 -12.138 -1.600 1.00 0.00 C ATOM 810 O ASN A 53 -11.026 -13.143 -0.899 1.00 0.00 O ATOM 811 CB ASN A 53 -11.459 -9.975 -0.384 1.00 0.00 C ATOM 812 CG ASN A 53 -11.992 -10.711 0.830 1.00 0.00 C ATOM 813 OD1 ASN A 53 -13.175 -10.619 1.157 1.00 0.00 O ATOM 814 ND2 ASN A 53 -11.117 -11.448 1.506 1.00 0.00 N ATOM 0 H ASN A 53 -10.525 -9.211 -2.539 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.608 -11.048 -0.586 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.961 -9.061 -0.061 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.293 -9.676 -1.019 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.417 -11.966 2.332 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.145 -11.496 1.199 1.00 0.00 H new ATOM 821 N ILE A 54 -11.838 -12.122 -2.732 1.00 0.00 N ATOM 822 CA ILE A 54 -12.517 -13.313 -3.228 1.00 0.00 C ATOM 823 C ILE A 54 -12.148 -13.592 -4.681 1.00 0.00 C ATOM 824 O ILE A 54 -12.294 -12.741 -5.559 1.00 0.00 O ATOM 825 CB ILE A 54 -14.047 -13.176 -3.116 1.00 0.00 C ATOM 826 CG1 ILE A 54 -14.448 -12.858 -1.674 1.00 0.00 C ATOM 827 CG2 ILE A 54 -14.729 -14.450 -3.591 1.00 0.00 C ATOM 828 CD1 ILE A 54 -15.901 -12.463 -1.524 1.00 0.00 C ATOM 0 H ILE A 54 -11.946 -11.298 -3.323 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.188 -14.146 -2.606 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.371 -12.354 -3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.250 -13.730 -1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.820 -12.049 -1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.810 -14.338 -3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.465 -14.638 -4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.402 -15.289 -2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.114 -12.252 -0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -16.100 -11.573 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -16.537 -13.279 -1.867 1.00 0.00 H new ATOM 840 N PRO A 55 -11.660 -14.814 -4.943 1.00 0.00 N ATOM 841 CA PRO A 55 -11.482 -15.834 -3.907 1.00 0.00 C ATOM 842 C PRO A 55 -10.357 -15.486 -2.938 1.00 0.00 C ATOM 843 O PRO A 55 -9.659 -14.488 -3.115 1.00 0.00 O ATOM 844 CB PRO A 55 -11.130 -17.092 -4.704 1.00 0.00 C ATOM 845 CG PRO A 55 -10.535 -16.583 -5.972 1.00 0.00 C ATOM 846 CD PRO A 55 -11.244 -15.292 -6.273 1.00 0.00 C ATOM 0 HA PRO A 55 -12.370 -15.942 -3.285 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.425 -17.721 -4.160 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.015 -17.699 -4.897 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.462 -16.423 -5.863 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.670 -17.300 -6.782 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.586 -14.578 -6.769 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.100 -15.447 -6.930 1.00 0.00 H new ATOM 854 N ALA A 56 -10.187 -16.315 -1.913 1.00 0.00 N ATOM 855 CA ALA A 56 -9.145 -16.096 -0.917 1.00 0.00 C ATOM 856 C ALA A 56 -7.849 -16.792 -1.317 1.00 0.00 C ATOM 857 O ALA A 56 -7.838 -17.642 -2.205 1.00 0.00 O ATOM 858 CB ALA A 56 -9.609 -16.582 0.448 1.00 0.00 C ATOM 0 H ALA A 56 -10.758 -17.145 -1.751 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.949 -15.025 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.821 -16.412 1.182 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.504 -16.035 0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.835 -17.647 0.398 1.00 0.00 H new ATOM 864 N ASN A 57 -6.757 -16.424 -0.655 1.00 0.00 N ATOM 865 CA ASN A 57 -5.454 -17.012 -0.942 1.00 0.00 C ATOM 866 C ASN A 57 -5.080 -16.817 -2.408 1.00 0.00 C ATOM 867 O ASN A 57 -4.428 -17.668 -3.014 1.00 0.00 O ATOM 868 CB ASN A 57 -5.458 -18.504 -0.600 1.00 0.00 C ATOM 869 CG ASN A 57 -4.076 -19.122 -0.692 1.00 0.00 C ATOM 870 OD1 ASN A 57 -3.111 -18.458 -1.072 1.00 0.00 O ATOM 871 ND2 ASN A 57 -3.976 -20.400 -0.345 1.00 0.00 N ATOM 0 H ASN A 57 -6.749 -15.721 0.084 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.711 -16.506 -0.325 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.848 -18.642 0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.133 -19.027 -1.277 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.072 -20.871 -0.387 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.803 -20.911 -0.036 1.00 0.00 H new ATOM 878 N THR A 58 -5.497 -15.688 -2.974 1.00 0.00 N ATOM 879 CA THR A 58 -5.207 -15.380 -4.369 1.00 0.00 C ATOM 880 C THR A 58 -3.785 -14.856 -4.532 1.00 0.00 C ATOM 881 O THR A 58 -3.074 -14.641 -3.550 1.00 0.00 O ATOM 882 CB THR A 58 -6.193 -14.339 -4.931 1.00 0.00 C ATOM 883 OG1 THR A 58 -6.376 -13.278 -3.987 1.00 0.00 O ATOM 884 CG2 THR A 58 -7.536 -14.981 -5.247 1.00 0.00 C ATOM 0 H THR A 58 -6.037 -14.972 -2.487 1.00 0.00 H new ATOM 0 HA THR A 58 -5.315 -16.310 -4.927 1.00 0.00 H new ATOM 0 HB THR A 58 -5.775 -13.936 -5.853 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.322 -13.024 -3.959 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.216 -14.226 -5.643 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.397 -15.769 -5.988 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.958 -15.408 -4.337 1.00 0.00 H new ATOM 892 N LYS A 59 -3.374 -14.651 -5.779 1.00 0.00 N ATOM 893 CA LYS A 59 -2.037 -14.149 -6.072 1.00 0.00 C ATOM 894 C LYS A 59 -1.827 -12.768 -5.460 1.00 0.00 C ATOM 895 O LYS A 59 -2.778 -12.004 -5.289 1.00 0.00 O ATOM 896 CB LYS A 59 -1.813 -14.088 -7.584 1.00 0.00 C ATOM 897 CG LYS A 59 -2.538 -12.938 -8.261 1.00 0.00 C ATOM 898 CD LYS A 59 -3.952 -13.328 -8.659 1.00 0.00 C ATOM 899 CE LYS A 59 -4.494 -12.419 -9.752 1.00 0.00 C ATOM 900 NZ LYS A 59 -4.169 -12.932 -11.112 1.00 0.00 N ATOM 0 H LYS A 59 -3.949 -14.825 -6.604 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.314 -14.835 -5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.745 -13.999 -7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.142 -15.027 -8.030 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.572 -12.081 -7.588 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.983 -12.627 -9.146 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.962 -14.361 -9.006 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.604 -13.278 -7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.575 -12.329 -9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.078 -11.419 -9.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.555 -12.285 -11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.137 -12.994 -11.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.588 -13.876 -11.236 1.00 0.00 H new ATOM 914 N TYR A 60 -0.579 -12.453 -5.134 1.00 0.00 N ATOM 915 CA TYR A 60 -0.246 -11.164 -4.541 1.00 0.00 C ATOM 916 C TYR A 60 0.624 -10.338 -5.484 1.00 0.00 C ATOM 917 O TYR A 60 1.712 -10.761 -5.876 1.00 0.00 O ATOM 918 CB TYR A 60 0.477 -11.364 -3.207 1.00 0.00 C ATOM 919 CG TYR A 60 -0.457 -11.477 -2.024 1.00 0.00 C ATOM 920 CD1 TYR A 60 -1.076 -10.352 -1.492 1.00 0.00 C ATOM 921 CD2 TYR A 60 -0.720 -12.709 -1.437 1.00 0.00 C ATOM 922 CE1 TYR A 60 -1.929 -10.451 -0.410 1.00 0.00 C ATOM 923 CE2 TYR A 60 -1.574 -12.817 -0.356 1.00 0.00 C ATOM 924 CZ TYR A 60 -2.175 -11.685 0.154 1.00 0.00 C ATOM 925 OH TYR A 60 -3.025 -11.789 1.232 1.00 0.00 O ATOM 0 H TYR A 60 0.219 -13.073 -5.271 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.176 -10.623 -4.366 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.087 -12.266 -3.265 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.158 -10.529 -3.043 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.887 -9.384 -1.932 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.249 -13.597 -1.832 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.401 -9.567 -0.008 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.770 -13.782 0.087 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.090 -12.727 1.508 1.00 0.00 H new ATOM 935 N LYS A 61 0.136 -9.156 -5.845 1.00 0.00 N ATOM 936 CA LYS A 61 0.867 -8.268 -6.741 1.00 0.00 C ATOM 937 C LYS A 61 1.586 -7.175 -5.957 1.00 0.00 C ATOM 938 O LYS A 61 1.117 -6.743 -4.904 1.00 0.00 O ATOM 939 CB LYS A 61 -0.088 -7.637 -7.757 1.00 0.00 C ATOM 940 CG LYS A 61 -0.244 -8.449 -9.031 1.00 0.00 C ATOM 941 CD LYS A 61 -1.108 -7.726 -10.051 1.00 0.00 C ATOM 942 CE LYS A 61 -1.341 -8.579 -11.289 1.00 0.00 C ATOM 943 NZ LYS A 61 -0.162 -8.572 -12.198 1.00 0.00 N ATOM 0 H LYS A 61 -0.763 -8.791 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 61 1.613 -8.861 -7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.067 -7.512 -7.294 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.273 -6.641 -8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.738 -8.647 -9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.689 -9.415 -8.795 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.066 -7.468 -9.600 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.628 -6.790 -10.338 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.561 -9.603 -10.988 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.215 -8.209 -11.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.361 -9.165 -13.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.033 -7.598 -12.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.667 -8.949 -11.695 1.00 0.00 H new ATOM 957 N ASN A 62 2.725 -6.732 -6.477 1.00 0.00 N ATOM 958 CA ASN A 62 3.508 -5.688 -5.825 1.00 0.00 C ATOM 959 C ASN A 62 3.890 -4.594 -6.817 1.00 0.00 C ATOM 960 O ASN A 62 3.986 -4.839 -8.020 1.00 0.00 O ATOM 961 CB ASN A 62 4.769 -6.285 -5.197 1.00 0.00 C ATOM 962 CG ASN A 62 5.541 -7.158 -6.168 1.00 0.00 C ATOM 963 OD1 ASN A 62 6.382 -6.671 -6.924 1.00 0.00 O ATOM 964 ND2 ASN A 62 5.258 -8.455 -6.151 1.00 0.00 N ATOM 0 H ASN A 62 3.127 -7.079 -7.348 1.00 0.00 H new ATOM 0 HA ASN A 62 2.894 -5.244 -5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.413 -5.479 -4.846 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.492 -6.875 -4.323 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.745 -9.092 -6.782 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.553 -8.815 -5.507 1.00 0.00 H new ATOM 971 N ALA A 63 4.107 -3.387 -6.305 1.00 0.00 N ATOM 972 CA ALA A 63 4.481 -2.257 -7.145 1.00 0.00 C ATOM 973 C ALA A 63 5.768 -1.607 -6.650 1.00 0.00 C ATOM 974 O ALA A 63 6.214 -1.863 -5.532 1.00 0.00 O ATOM 975 CB ALA A 63 3.354 -1.235 -7.187 1.00 0.00 C ATOM 0 H ALA A 63 4.030 -3.167 -5.312 1.00 0.00 H new ATOM 0 HA ALA A 63 4.658 -2.629 -8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.647 -0.396 -7.818 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.456 -1.700 -7.595 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.150 -0.876 -6.178 1.00 0.00 H new ATOM 981 N ASN A 64 6.362 -0.764 -7.489 1.00 0.00 N ATOM 982 CA ASN A 64 7.599 -0.078 -7.137 1.00 0.00 C ATOM 983 C ASN A 64 7.458 1.429 -7.325 1.00 0.00 C ATOM 984 O ASN A 64 7.276 1.911 -8.442 1.00 0.00 O ATOM 985 CB ASN A 64 8.758 -0.603 -7.987 1.00 0.00 C ATOM 986 CG ASN A 64 8.571 -0.311 -9.463 1.00 0.00 C ATOM 987 OD1 ASN A 64 7.783 -0.970 -10.142 1.00 0.00 O ATOM 988 ND2 ASN A 64 9.297 0.680 -9.966 1.00 0.00 N ATOM 0 H ASN A 64 6.006 -0.540 -8.418 1.00 0.00 H new ATOM 0 HA ASN A 64 7.809 -0.277 -6.086 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.689 -0.151 -7.645 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.853 -1.679 -7.842 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.214 0.923 -10.953 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.937 1.199 -9.365 1.00 0.00 H new ATOM 995 N ALA A 65 7.545 2.168 -6.223 1.00 0.00 N ATOM 996 CA ALA A 65 7.431 3.621 -6.267 1.00 0.00 C ATOM 997 C ALA A 65 7.997 4.254 -5.001 1.00 0.00 C ATOM 998 O ALA A 65 7.489 4.030 -3.901 1.00 0.00 O ATOM 999 CB ALA A 65 5.978 4.029 -6.460 1.00 0.00 C ATOM 0 H ALA A 65 7.694 1.784 -5.290 1.00 0.00 H new ATOM 0 HA ALA A 65 8.014 3.982 -7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.906 5.116 -6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.605 3.614 -7.396 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.380 3.650 -5.631 1.00 0.00 H new ATOM 1005 N THR A 66 9.052 5.046 -5.161 1.00 0.00 N ATOM 1006 CA THR A 66 9.688 5.711 -4.031 1.00 0.00 C ATOM 1007 C THR A 66 8.990 7.025 -3.702 1.00 0.00 C ATOM 1008 O THR A 66 9.261 8.056 -4.319 1.00 0.00 O ATOM 1009 CB THR A 66 11.178 5.989 -4.309 1.00 0.00 C ATOM 1010 OG1 THR A 66 11.309 7.061 -5.250 1.00 0.00 O ATOM 1011 CG2 THR A 66 11.869 4.746 -4.849 1.00 0.00 C ATOM 0 H THR A 66 9.485 5.243 -6.064 1.00 0.00 H new ATOM 0 HA THR A 66 9.605 5.036 -3.179 1.00 0.00 H new ATOM 0 HB THR A 66 11.654 6.270 -3.370 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.461 7.548 -5.311 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.920 4.967 -5.038 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.793 3.941 -4.118 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.390 4.438 -5.779 1.00 0.00 H new ATOM 1019 N THR A 67 8.090 6.983 -2.725 1.00 0.00 N ATOM 1020 CA THR A 67 7.352 8.171 -2.313 1.00 0.00 C ATOM 1021 C THR A 67 6.476 7.882 -1.100 1.00 0.00 C ATOM 1022 O THR A 67 6.367 6.737 -0.659 1.00 0.00 O ATOM 1023 CB THR A 67 6.467 8.706 -3.455 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.504 9.629 -2.937 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.753 7.566 -4.166 1.00 0.00 C ATOM 0 H THR A 67 7.854 6.139 -2.204 1.00 0.00 H new ATOM 0 HA THR A 67 8.092 8.927 -2.051 1.00 0.00 H new ATOM 0 HB THR A 67 7.109 9.216 -4.174 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.947 9.966 -3.669 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.134 7.968 -4.968 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.490 6.880 -4.585 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.123 7.032 -3.455 1.00 0.00 H new ATOM 1033 N LEU A 68 5.853 8.925 -0.563 1.00 0.00 N ATOM 1034 CA LEU A 68 4.985 8.783 0.600 1.00 0.00 C ATOM 1035 C LEU A 68 3.532 8.599 0.176 1.00 0.00 C ATOM 1036 O LEU A 68 2.613 8.794 0.972 1.00 0.00 O ATOM 1037 CB LEU A 68 5.112 10.007 1.509 1.00 0.00 C ATOM 1038 CG LEU A 68 6.367 10.067 2.381 1.00 0.00 C ATOM 1039 CD1 LEU A 68 6.689 11.506 2.753 1.00 0.00 C ATOM 1040 CD2 LEU A 68 6.188 9.219 3.632 1.00 0.00 C ATOM 0 H LEU A 68 5.933 9.879 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 68 5.299 7.896 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.083 10.902 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.239 10.043 2.160 1.00 0.00 H new ATOM 0 HG LEU A 68 7.203 9.664 1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.585 11.530 3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.860 12.087 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.853 11.935 3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.091 9.273 4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.340 9.592 4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.005 8.183 3.346 1.00 0.00 H new ATOM 1052 N SER A 69 3.331 8.220 -1.082 1.00 0.00 N ATOM 1053 CA SER A 69 1.989 8.011 -1.613 1.00 0.00 C ATOM 1054 C SER A 69 2.025 7.104 -2.839 1.00 0.00 C ATOM 1055 O SER A 69 3.093 6.809 -3.376 1.00 0.00 O ATOM 1056 CB SER A 69 1.347 9.352 -1.975 1.00 0.00 C ATOM 1057 OG SER A 69 1.663 10.345 -1.015 1.00 0.00 O ATOM 0 H SER A 69 4.081 8.051 -1.753 1.00 0.00 H new ATOM 0 HA SER A 69 1.391 7.526 -0.842 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.692 9.670 -2.959 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.265 9.235 -2.039 1.00 0.00 H new ATOM 0 HG SER A 69 1.689 9.941 -0.123 1.00 0.00 H new ATOM 1063 N TYR A 70 0.850 6.665 -3.277 1.00 0.00 N ATOM 1064 CA TYR A 70 0.746 5.789 -4.438 1.00 0.00 C ATOM 1065 C TYR A 70 -0.700 5.685 -4.913 1.00 0.00 C ATOM 1066 O TYR A 70 -1.606 5.406 -4.126 1.00 0.00 O ATOM 1067 CB TYR A 70 1.286 4.398 -4.104 1.00 0.00 C ATOM 1068 CG TYR A 70 1.055 3.380 -5.197 1.00 0.00 C ATOM 1069 CD1 TYR A 70 1.071 3.753 -6.535 1.00 0.00 C ATOM 1070 CD2 TYR A 70 0.823 2.044 -4.892 1.00 0.00 C ATOM 1071 CE1 TYR A 70 0.859 2.826 -7.538 1.00 0.00 C ATOM 1072 CE2 TYR A 70 0.612 1.110 -5.888 1.00 0.00 C ATOM 1073 CZ TYR A 70 0.631 1.506 -7.209 1.00 0.00 C ATOM 1074 OH TYR A 70 0.421 0.580 -8.205 1.00 0.00 O ATOM 0 H TYR A 70 -0.044 6.901 -2.846 1.00 0.00 H new ATOM 0 HA TYR A 70 1.344 6.220 -5.241 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.356 4.470 -3.907 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.816 4.046 -3.186 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.252 4.785 -6.796 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.807 1.731 -3.859 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.872 3.133 -8.573 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.433 0.076 -5.634 1.00 0.00 H new ATOM 0 HH TYR A 70 0.277 -0.303 -7.805 1.00 0.00 H new ATOM 1084 N LEU A 71 -0.909 5.910 -6.205 1.00 0.00 N ATOM 1085 CA LEU A 71 -2.244 5.840 -6.788 1.00 0.00 C ATOM 1086 C LEU A 71 -2.465 4.502 -7.487 1.00 0.00 C ATOM 1087 O LEU A 71 -1.870 4.229 -8.529 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.449 6.986 -7.781 1.00 0.00 C ATOM 1089 CG LEU A 71 -2.874 8.327 -7.180 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -2.364 9.479 -8.031 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -4.388 8.393 -7.041 1.00 0.00 C ATOM 0 H LEU A 71 -0.171 6.143 -6.869 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.971 5.931 -5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.519 7.135 -8.330 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.203 6.681 -8.507 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.434 8.414 -6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.676 10.425 -7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.276 9.442 -8.079 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.774 9.397 -9.038 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.672 9.354 -6.612 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.849 8.283 -8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.729 7.589 -6.389 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.326 3.673 -6.906 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.628 2.364 -7.474 1.00 0.00 C ATOM 1105 C VAL A 72 -4.747 2.458 -8.506 1.00 0.00 C ATOM 1106 O VAL A 72 -5.910 2.668 -8.160 1.00 0.00 O ATOM 1107 CB VAL A 72 -4.036 1.359 -6.381 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -3.944 -0.066 -6.905 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -3.170 1.537 -5.143 1.00 0.00 C ATOM 0 H VAL A 72 -3.827 3.884 -6.043 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.718 2.012 -7.960 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.072 1.553 -6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.236 -0.762 -6.119 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.610 -0.183 -7.759 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.919 -0.275 -7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.472 0.819 -4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.125 1.371 -5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.292 2.549 -4.756 1.00 0.00 H new ATOM 1119 N THR A 73 -4.387 2.301 -9.776 1.00 0.00 N ATOM 1120 CA THR A 73 -5.360 2.369 -10.859 1.00 0.00 C ATOM 1121 C THR A 73 -5.478 1.029 -11.576 1.00 0.00 C ATOM 1122 O THR A 73 -4.481 0.345 -11.803 1.00 0.00 O ATOM 1123 CB THR A 73 -4.984 3.455 -11.884 1.00 0.00 C ATOM 1124 OG1 THR A 73 -3.652 3.237 -12.363 1.00 0.00 O ATOM 1125 CG2 THR A 73 -5.085 4.841 -11.266 1.00 0.00 C ATOM 0 H THR A 73 -3.429 2.126 -10.080 1.00 0.00 H new ATOM 0 HA THR A 73 -6.319 2.622 -10.407 1.00 0.00 H new ATOM 0 HB THR A 73 -5.684 3.394 -12.717 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.421 3.931 -13.016 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.815 5.591 -12.009 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.107 5.016 -10.929 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.406 4.911 -10.416 1.00 0.00 H new ATOM 1133 N GLY A 74 -6.705 0.659 -11.932 1.00 0.00 N ATOM 1134 CA GLY A 74 -6.931 -0.598 -12.621 1.00 0.00 C ATOM 1135 C GLY A 74 -7.543 -1.651 -11.719 1.00 0.00 C ATOM 1136 O GLY A 74 -7.040 -2.772 -11.631 1.00 0.00 O ATOM 0 H GLY A 74 -7.546 1.208 -11.755 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.588 -0.428 -13.474 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.985 -0.968 -13.016 1.00 0.00 H new ATOM 1140 N LEU A 75 -8.630 -1.291 -11.046 1.00 0.00 N ATOM 1141 CA LEU A 75 -9.312 -2.214 -10.144 1.00 0.00 C ATOM 1142 C LEU A 75 -10.740 -2.477 -10.611 1.00 0.00 C ATOM 1143 O LEU A 75 -11.185 -1.931 -11.621 1.00 0.00 O ATOM 1144 CB LEU A 75 -9.325 -1.651 -8.721 1.00 0.00 C ATOM 1145 CG LEU A 75 -7.976 -1.182 -8.173 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -8.177 -0.258 -6.982 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -7.115 -2.375 -7.785 1.00 0.00 C ATOM 0 H LEU A 75 -9.058 -0.367 -11.107 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.767 -3.158 -10.151 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.019 -0.811 -8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.720 -2.416 -8.053 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.460 -0.626 -8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.207 0.066 -6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.756 0.613 -7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.713 -0.789 -6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.159 -2.023 -7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.625 -2.958 -7.018 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.943 -3.000 -8.661 1.00 0.00 H new ATOM 1159 N LYS A 76 -11.454 -3.317 -9.870 1.00 0.00 N ATOM 1160 CA LYS A 76 -12.833 -3.651 -10.205 1.00 0.00 C ATOM 1161 C LYS A 76 -13.803 -3.023 -9.209 1.00 0.00 C ATOM 1162 O LYS A 76 -13.569 -3.012 -8.000 1.00 0.00 O ATOM 1163 CB LYS A 76 -13.021 -5.170 -10.227 1.00 0.00 C ATOM 1164 CG LYS A 76 -14.455 -5.602 -10.474 1.00 0.00 C ATOM 1165 CD LYS A 76 -14.643 -7.088 -10.217 1.00 0.00 C ATOM 1166 CE LYS A 76 -16.110 -7.483 -10.277 1.00 0.00 C ATOM 1167 NZ LYS A 76 -16.282 -8.940 -10.533 1.00 0.00 N ATOM 0 H LYS A 76 -11.100 -3.779 -9.033 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.047 -3.250 -11.196 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.384 -5.595 -11.002 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.685 -5.583 -9.276 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.124 -5.033 -9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.733 -5.372 -11.502 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.081 -7.660 -10.955 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.236 -7.343 -9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.596 -7.220 -9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.607 -6.915 -11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.296 -9.169 -10.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.841 -9.187 -11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.830 -9.482 -9.770 1.00 0.00 H new ATOM 1181 N PRO A 77 -14.919 -2.488 -9.726 1.00 0.00 N ATOM 1182 CA PRO A 77 -15.947 -1.849 -8.899 1.00 0.00 C ATOM 1183 C PRO A 77 -16.709 -2.855 -8.042 1.00 0.00 C ATOM 1184 O PRO A 77 -16.835 -4.024 -8.405 1.00 0.00 O ATOM 1185 CB PRO A 77 -16.882 -1.207 -9.927 1.00 0.00 C ATOM 1186 CG PRO A 77 -16.699 -2.018 -11.163 1.00 0.00 C ATOM 1187 CD PRO A 77 -15.263 -2.465 -11.157 1.00 0.00 C ATOM 0 HA PRO A 77 -15.518 -1.140 -8.192 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.918 -1.229 -9.588 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.625 -0.162 -10.098 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -17.374 -2.874 -11.172 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.920 -1.429 -12.053 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -15.146 -3.448 -11.614 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.626 -1.777 -11.713 1.00 0.00 H new ATOM 1195 N ASN A 78 -17.214 -2.393 -6.903 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.964 -3.253 -5.995 1.00 0.00 C ATOM 1197 C ASN A 78 -17.159 -4.499 -5.637 1.00 0.00 C ATOM 1198 O ASN A 78 -17.677 -5.615 -5.663 1.00 0.00 O ATOM 1199 CB ASN A 78 -19.297 -3.657 -6.626 1.00 0.00 C ATOM 1200 CG ASN A 78 -20.215 -4.354 -5.640 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -19.824 -4.646 -4.510 1.00 0.00 O ATOM 1202 ND2 ASN A 78 -21.444 -4.625 -6.066 1.00 0.00 N ATOM 0 H ASN A 78 -17.118 -1.428 -6.587 1.00 0.00 H new ATOM 0 HA ASN A 78 -18.158 -2.692 -5.081 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.795 -2.770 -7.017 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -19.110 -4.317 -7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -22.106 -5.093 -5.448 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -21.725 -4.365 -7.011 1.00 0.00 H new ATOM 1209 N THR A 79 -15.888 -4.299 -5.302 1.00 0.00 N ATOM 1210 CA THR A 79 -15.010 -5.405 -4.940 1.00 0.00 C ATOM 1211 C THR A 79 -14.026 -4.993 -3.851 1.00 0.00 C ATOM 1212 O THR A 79 -13.494 -3.882 -3.869 1.00 0.00 O ATOM 1213 CB THR A 79 -14.223 -5.921 -6.159 1.00 0.00 C ATOM 1214 OG1 THR A 79 -15.000 -5.754 -7.351 1.00 0.00 O ATOM 1215 CG2 THR A 79 -13.858 -7.388 -5.987 1.00 0.00 C ATOM 0 H THR A 79 -15.444 -3.381 -5.274 1.00 0.00 H new ATOM 0 HA THR A 79 -15.649 -6.205 -4.565 1.00 0.00 H new ATOM 0 HB THR A 79 -13.303 -5.342 -6.241 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.541 -6.557 -7.504 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.303 -7.730 -6.861 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.242 -7.508 -5.096 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.768 -7.979 -5.881 1.00 0.00 H new ATOM 1223 N LEU A 80 -13.787 -5.893 -2.904 1.00 0.00 N ATOM 1224 CA LEU A 80 -12.865 -5.623 -1.807 1.00 0.00 C ATOM 1225 C LEU A 80 -11.422 -5.871 -2.234 1.00 0.00 C ATOM 1226 O LEU A 80 -11.101 -6.921 -2.790 1.00 0.00 O ATOM 1227 CB LEU A 80 -13.209 -6.496 -0.599 1.00 0.00 C ATOM 1228 CG LEU A 80 -12.170 -6.531 0.522 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -11.679 -5.126 0.839 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -12.749 -7.188 1.766 1.00 0.00 C ATOM 0 H LEU A 80 -14.219 -6.816 -2.874 1.00 0.00 H new ATOM 0 HA LEU A 80 -12.967 -4.574 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.153 -6.147 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.372 -7.516 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.320 -7.124 0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.940 -5.171 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.225 -4.690 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.520 -4.509 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.995 -7.204 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.617 -6.622 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -13.050 -8.209 1.531 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.557 -4.899 -1.968 1.00 0.00 N ATOM 1243 CA TYR A 81 -9.148 -5.011 -2.325 1.00 0.00 C ATOM 1244 C TYR A 81 -8.256 -4.721 -1.122 1.00 0.00 C ATOM 1245 O TYR A 81 -8.674 -4.063 -0.171 1.00 0.00 O ATOM 1246 CB TYR A 81 -8.811 -4.051 -3.467 1.00 0.00 C ATOM 1247 CG TYR A 81 -9.193 -4.576 -4.833 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -8.341 -5.417 -5.538 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -10.404 -4.230 -5.418 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -8.685 -5.899 -6.786 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -10.758 -4.708 -6.665 1.00 0.00 C ATOM 1252 CZ TYR A 81 -9.895 -5.542 -7.345 1.00 0.00 C ATOM 1253 OH TYR A 81 -10.242 -6.019 -8.588 1.00 0.00 O ATOM 0 H TYR A 81 -10.807 -4.024 -1.506 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.963 -6.034 -2.653 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.321 -3.103 -3.296 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.741 -3.844 -3.453 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.394 -5.699 -5.103 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.081 -3.576 -4.889 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -8.011 -6.551 -7.321 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.705 -4.430 -7.105 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.972 -6.667 -8.498 1.00 0.00 H new ATOM 1263 N GLU A 82 -7.024 -5.218 -1.174 1.00 0.00 N ATOM 1264 CA GLU A 82 -6.072 -5.013 -0.088 1.00 0.00 C ATOM 1265 C GLU A 82 -4.992 -4.014 -0.493 1.00 0.00 C ATOM 1266 O GLU A 82 -4.653 -3.892 -1.670 1.00 0.00 O ATOM 1267 CB GLU A 82 -5.429 -6.341 0.314 1.00 0.00 C ATOM 1268 CG GLU A 82 -6.332 -7.224 1.159 1.00 0.00 C ATOM 1269 CD GLU A 82 -7.648 -7.537 0.475 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -8.612 -6.764 0.659 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -7.714 -8.554 -0.246 1.00 0.00 O ATOM 0 H GLU A 82 -6.662 -5.765 -1.955 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.615 -4.608 0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.144 -6.884 -0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.512 -6.138 0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.814 -8.156 1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.530 -6.730 2.110 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.455 -3.301 0.491 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.414 -2.311 0.238 1.00 0.00 C ATOM 1280 C PHE A 83 -2.470 -2.197 1.432 1.00 0.00 C ATOM 1281 O PHE A 83 -2.896 -1.894 2.547 1.00 0.00 O ATOM 1282 CB PHE A 83 -4.040 -0.948 -0.064 1.00 0.00 C ATOM 1283 CG PHE A 83 -4.997 -0.970 -1.221 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -4.561 -1.311 -2.491 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -6.333 -0.652 -1.038 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -5.439 -1.332 -3.558 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -7.216 -0.671 -2.101 1.00 0.00 C ATOM 1288 CZ PHE A 83 -6.769 -1.013 -3.362 1.00 0.00 C ATOM 0 H PHE A 83 -4.723 -3.390 1.471 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.838 -2.638 -0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.564 -0.593 0.824 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.246 -0.231 -0.273 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.523 -1.563 -2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.688 -0.386 -0.053 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.086 -1.597 -4.544 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.255 -0.419 -1.946 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.458 -1.031 -4.194 1.00 0.00 H new ATOM 1298 N SER A 84 -1.187 -2.443 1.190 1.00 0.00 N ATOM 1299 CA SER A 84 -0.182 -2.373 2.245 1.00 0.00 C ATOM 1300 C SER A 84 1.072 -1.657 1.753 1.00 0.00 C ATOM 1301 O SER A 84 1.300 -1.534 0.550 1.00 0.00 O ATOM 1302 CB SER A 84 0.176 -3.778 2.731 1.00 0.00 C ATOM 1303 OG SER A 84 0.655 -3.749 4.064 1.00 0.00 O ATOM 0 H SER A 84 -0.818 -2.693 0.272 1.00 0.00 H new ATOM 0 HA SER A 84 -0.601 -1.805 3.076 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.701 -4.422 2.670 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.934 -4.210 2.078 1.00 0.00 H new ATOM 0 HG SER A 84 -0.095 -3.868 4.684 1.00 0.00 H new ATOM 1309 N VAL A 85 1.884 -1.185 2.695 1.00 0.00 N ATOM 1310 CA VAL A 85 3.116 -0.482 2.359 1.00 0.00 C ATOM 1311 C VAL A 85 4.285 -0.993 3.195 1.00 0.00 C ATOM 1312 O VAL A 85 4.183 -1.110 4.416 1.00 0.00 O ATOM 1313 CB VAL A 85 2.972 1.036 2.572 1.00 0.00 C ATOM 1314 CG1 VAL A 85 4.125 1.780 1.915 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.636 1.525 2.033 1.00 0.00 C ATOM 0 H VAL A 85 1.710 -1.277 3.696 1.00 0.00 H new ATOM 0 HA VAL A 85 3.314 -0.676 1.305 1.00 0.00 H new ATOM 0 HB VAL A 85 3.003 1.239 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.006 2.851 2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.067 1.450 2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.129 1.572 0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.551 2.600 2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.573 1.310 0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.825 1.016 2.554 1.00 0.00 H new ATOM 1325 N MET A 86 5.394 -1.294 2.529 1.00 0.00 N ATOM 1326 CA MET A 86 6.584 -1.791 3.211 1.00 0.00 C ATOM 1327 C MET A 86 7.821 -1.004 2.790 1.00 0.00 C ATOM 1328 O MET A 86 7.862 -0.430 1.701 1.00 0.00 O ATOM 1329 CB MET A 86 6.785 -3.278 2.913 1.00 0.00 C ATOM 1330 CG MET A 86 7.627 -3.541 1.675 1.00 0.00 C ATOM 1331 SD MET A 86 9.390 -3.631 2.041 1.00 0.00 S ATOM 1332 CE MET A 86 9.593 -5.391 2.303 1.00 0.00 C ATOM 0 H MET A 86 5.494 -1.203 1.518 1.00 0.00 H new ATOM 0 HA MET A 86 6.439 -1.659 4.283 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.259 -3.752 3.772 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.811 -3.750 2.787 1.00 0.00 H new ATOM 0 HG2 MET A 86 7.307 -4.476 1.215 1.00 0.00 H new ATOM 0 HG3 MET A 86 7.451 -2.750 0.946 1.00 0.00 H new ATOM 0 HE1 MET A 86 10.652 -5.646 2.257 1.00 0.00 H new ATOM 0 HE2 MET A 86 9.197 -5.661 3.282 1.00 0.00 H new ATOM 0 HE3 MET A 86 9.054 -5.939 1.530 1.00 0.00 H new ATOM 1342 N VAL A 87 8.827 -0.981 3.658 1.00 0.00 N ATOM 1343 CA VAL A 87 10.065 -0.265 3.376 1.00 0.00 C ATOM 1344 C VAL A 87 11.264 -1.205 3.413 1.00 0.00 C ATOM 1345 O VAL A 87 11.350 -2.087 4.268 1.00 0.00 O ATOM 1346 CB VAL A 87 10.292 0.881 4.380 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.121 0.383 5.806 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.670 1.495 4.183 1.00 0.00 C ATOM 0 H VAL A 87 8.809 -1.451 4.563 1.00 0.00 H new ATOM 0 HA VAL A 87 9.967 0.154 2.375 1.00 0.00 H new ATOM 0 HB VAL A 87 9.545 1.654 4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.285 1.206 6.501 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.111 -0.006 5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 87 10.844 -0.409 6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.814 2.303 4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.433 0.732 4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.751 1.890 3.170 1.00 0.00 H new ATOM 1358 N THR A 88 12.191 -1.011 2.480 1.00 0.00 N ATOM 1359 CA THR A 88 13.386 -1.841 2.405 1.00 0.00 C ATOM 1360 C THR A 88 14.630 -0.994 2.163 1.00 0.00 C ATOM 1361 O THR A 88 14.662 -0.166 1.252 1.00 0.00 O ATOM 1362 CB THR A 88 13.270 -2.894 1.287 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.280 -3.869 1.634 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.606 -3.582 1.050 1.00 0.00 C ATOM 0 H THR A 88 12.136 -0.285 1.765 1.00 0.00 H new ATOM 0 HA THR A 88 13.478 -2.350 3.365 1.00 0.00 H new ATOM 0 HB THR A 88 12.974 -2.386 0.369 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.424 -3.422 1.798 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.499 -4.321 0.256 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.350 -2.841 0.758 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.928 -4.077 1.966 1.00 0.00 H new ATOM 1372 N LYS A 89 15.654 -1.207 2.982 1.00 0.00 N ATOM 1373 CA LYS A 89 16.903 -0.464 2.856 1.00 0.00 C ATOM 1374 C LYS A 89 17.993 -1.334 2.239 1.00 0.00 C ATOM 1375 O LYS A 89 19.161 -1.243 2.615 1.00 0.00 O ATOM 1376 CB LYS A 89 17.357 0.046 4.226 1.00 0.00 C ATOM 1377 CG LYS A 89 16.787 1.407 4.587 1.00 0.00 C ATOM 1378 CD LYS A 89 17.091 1.774 6.030 1.00 0.00 C ATOM 1379 CE LYS A 89 16.520 3.136 6.391 1.00 0.00 C ATOM 1380 NZ LYS A 89 17.484 4.235 6.108 1.00 0.00 N ATOM 0 H LYS A 89 15.644 -1.889 3.741 1.00 0.00 H new ATOM 0 HA LYS A 89 16.726 0.387 2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 89 17.064 -0.675 4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 89 18.445 0.101 4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 89 17.203 2.164 3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.708 1.404 4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 89 16.675 1.016 6.694 1.00 0.00 H new ATOM 0 HD3 LYS A 89 18.170 1.778 6.186 1.00 0.00 H new ATOM 0 HE2 LYS A 89 15.602 3.305 5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.254 3.150 7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 17.221 5.078 6.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.443 3.933 6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 17.462 4.463 5.094 1.00 0.00 H new ATOM 1394 N GLY A 90 17.603 -2.178 1.288 1.00 0.00 N ATOM 1395 CA GLY A 90 18.560 -3.050 0.633 1.00 0.00 C ATOM 1396 C GLY A 90 18.638 -4.417 1.283 1.00 0.00 C ATOM 1397 O GLY A 90 18.037 -5.377 0.801 1.00 0.00 O ATOM 0 H GLY A 90 16.642 -2.273 0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.284 -3.165 -0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.545 -2.584 0.654 1.00 0.00 H new ATOM 1401 N ARG A 91 19.381 -4.507 2.381 1.00 0.00 N ATOM 1402 CA ARG A 91 19.538 -5.767 3.097 1.00 0.00 C ATOM 1403 C ARG A 91 18.454 -5.927 4.159 1.00 0.00 C ATOM 1404 O ARG A 91 17.997 -7.038 4.431 1.00 0.00 O ATOM 1405 CB ARG A 91 20.920 -5.840 3.749 1.00 0.00 C ATOM 1406 CG ARG A 91 21.455 -7.256 3.886 1.00 0.00 C ATOM 1407 CD ARG A 91 21.042 -7.882 5.209 1.00 0.00 C ATOM 1408 NE ARG A 91 22.007 -7.608 6.270 1.00 0.00 N ATOM 1409 CZ ARG A 91 23.110 -8.323 6.462 1.00 0.00 C ATOM 1410 NH1 ARG A 91 23.385 -9.350 5.669 1.00 0.00 N ATOM 1411 NH2 ARG A 91 23.940 -8.012 7.449 1.00 0.00 N ATOM 0 H ARG A 91 19.884 -3.722 2.794 1.00 0.00 H new ATOM 0 HA ARG A 91 19.441 -6.579 2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 91 21.622 -5.251 3.159 1.00 0.00 H new ATOM 0 HB3 ARG A 91 20.871 -5.382 4.737 1.00 0.00 H new ATOM 0 HG2 ARG A 91 21.086 -7.867 3.062 1.00 0.00 H new ATOM 0 HG3 ARG A 91 22.542 -7.244 3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 91 20.064 -7.500 5.501 1.00 0.00 H new ATOM 0 HD3 ARG A 91 20.938 -8.960 5.083 1.00 0.00 H new ATOM 0 HE ARG A 91 21.824 -6.825 6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 91 22.749 -9.592 4.909 1.00 0.00 H new ATOM 0 HH12 ARG A 91 24.233 -9.897 5.819 1.00 0.00 H new ATOM 0 HH21 ARG A 91 23.731 -7.223 8.061 1.00 0.00 H new ATOM 0 HH22 ARG A 91 24.787 -8.562 7.596 1.00 0.00 H new ATOM 1425 N ARG A 92 18.048 -4.812 4.757 1.00 0.00 N ATOM 1426 CA ARG A 92 17.020 -4.829 5.790 1.00 0.00 C ATOM 1427 C ARG A 92 15.642 -4.563 5.190 1.00 0.00 C ATOM 1428 O ARG A 92 15.527 -4.082 4.063 1.00 0.00 O ATOM 1429 CB ARG A 92 17.329 -3.785 6.865 1.00 0.00 C ATOM 1430 CG ARG A 92 18.580 -4.094 7.672 1.00 0.00 C ATOM 1431 CD ARG A 92 19.151 -2.841 8.317 1.00 0.00 C ATOM 1432 NE ARG A 92 20.342 -3.129 9.111 1.00 0.00 N ATOM 1433 CZ ARG A 92 20.997 -2.210 9.812 1.00 0.00 C ATOM 1434 NH1 ARG A 92 20.578 -0.952 9.818 1.00 0.00 N ATOM 1435 NH2 ARG A 92 22.074 -2.549 10.510 1.00 0.00 N ATOM 0 H ARG A 92 18.416 -3.885 4.544 1.00 0.00 H new ATOM 0 HA ARG A 92 17.015 -5.819 6.245 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.444 -2.810 6.391 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.479 -3.711 7.543 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.345 -4.827 8.444 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.331 -4.545 7.023 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.398 -2.115 7.542 1.00 0.00 H new ATOM 0 HD3 ARG A 92 18.393 -2.383 8.953 1.00 0.00 H new ATOM 0 HE ARG A 92 20.690 -4.088 9.128 1.00 0.00 H new ATOM 0 HH11 ARG A 92 19.751 -0.688 9.283 1.00 0.00 H new ATOM 0 HH12 ARG A 92 21.083 -0.249 10.357 1.00 0.00 H new ATOM 0 HH21 ARG A 92 22.399 -3.516 10.508 1.00 0.00 H new ATOM 0 HH22 ARG A 92 22.576 -1.843 11.048 1.00 0.00 H new ATOM 1449 N SER A 93 14.600 -4.880 5.951 1.00 0.00 N ATOM 1450 CA SER A 93 13.230 -4.680 5.493 1.00 0.00 C ATOM 1451 C SER A 93 12.249 -4.767 6.659 1.00 0.00 C ATOM 1452 O SER A 93 12.613 -5.178 7.761 1.00 0.00 O ATOM 1453 CB SER A 93 12.868 -5.719 4.429 1.00 0.00 C ATOM 1454 OG SER A 93 13.336 -7.006 4.794 1.00 0.00 O ATOM 0 H SER A 93 14.678 -5.276 6.888 1.00 0.00 H new ATOM 0 HA SER A 93 13.161 -3.684 5.056 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.787 -5.746 4.296 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.300 -5.429 3.471 1.00 0.00 H new ATOM 0 HG SER A 93 13.091 -7.652 4.099 1.00 0.00 H new ATOM 1460 N SER A 94 11.004 -4.377 6.406 1.00 0.00 N ATOM 1461 CA SER A 94 9.970 -4.407 7.435 1.00 0.00 C ATOM 1462 C SER A 94 8.757 -5.203 6.963 1.00 0.00 C ATOM 1463 O SER A 94 8.508 -5.326 5.763 1.00 0.00 O ATOM 1464 CB SER A 94 9.548 -2.984 7.805 1.00 0.00 C ATOM 1465 OG SER A 94 8.726 -2.418 6.799 1.00 0.00 O ATOM 0 H SER A 94 10.686 -4.037 5.498 1.00 0.00 H new ATOM 0 HA SER A 94 10.383 -4.897 8.317 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.011 -2.996 8.754 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.433 -2.364 7.947 1.00 0.00 H new ATOM 0 HG SER A 94 7.804 -2.727 6.918 1.00 0.00 H new ATOM 1471 N THR A 95 8.004 -5.742 7.916 1.00 0.00 N ATOM 1472 CA THR A 95 6.817 -6.527 7.600 1.00 0.00 C ATOM 1473 C THR A 95 5.780 -5.685 6.868 1.00 0.00 C ATOM 1474 O THR A 95 5.917 -4.466 6.765 1.00 0.00 O ATOM 1475 CB THR A 95 6.178 -7.116 8.872 1.00 0.00 C ATOM 1476 OG1 THR A 95 4.989 -7.839 8.534 1.00 0.00 O ATOM 1477 CG2 THR A 95 5.843 -6.017 9.868 1.00 0.00 C ATOM 0 H THR A 95 8.195 -5.649 8.914 1.00 0.00 H new ATOM 0 HA THR A 95 7.141 -7.343 6.953 1.00 0.00 H new ATOM 0 HB THR A 95 6.897 -7.794 9.332 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.590 -8.212 9.348 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.393 -6.457 10.758 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.754 -5.488 10.146 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.141 -5.317 9.415 1.00 0.00 H new ATOM 1485 N TRP A 96 4.742 -6.341 6.361 1.00 0.00 N ATOM 1486 CA TRP A 96 3.680 -5.651 5.638 1.00 0.00 C ATOM 1487 C TRP A 96 2.793 -4.864 6.595 1.00 0.00 C ATOM 1488 O TRP A 96 1.975 -5.439 7.313 1.00 0.00 O ATOM 1489 CB TRP A 96 2.837 -6.654 4.849 1.00 0.00 C ATOM 1490 CG TRP A 96 3.532 -7.189 3.633 1.00 0.00 C ATOM 1491 CD1 TRP A 96 3.949 -8.473 3.426 1.00 0.00 C ATOM 1492 CD2 TRP A 96 3.893 -6.453 2.460 1.00 0.00 C ATOM 1493 NE1 TRP A 96 4.547 -8.579 2.193 1.00 0.00 N ATOM 1494 CE2 TRP A 96 4.524 -7.354 1.580 1.00 0.00 C ATOM 1495 CE3 TRP A 96 3.742 -5.121 2.065 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 5.004 -6.964 0.333 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 4.219 -4.735 0.826 1.00 0.00 C ATOM 1498 CH2 TRP A 96 4.843 -5.654 -0.028 1.00 0.00 C ATOM 0 H TRP A 96 4.613 -7.350 6.437 1.00 0.00 H new ATOM 0 HA TRP A 96 4.143 -4.951 4.943 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.570 -7.486 5.501 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.906 -6.175 4.545 1.00 0.00 H new ATOM 0 HD1 TRP A 96 3.827 -9.285 4.127 1.00 0.00 H new ATOM 0 HE1 TRP A 96 4.944 -9.432 1.798 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.261 -4.406 2.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 5.486 -7.670 -0.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.109 -3.708 0.511 1.00 0.00 H new ATOM 0 HH2 TRP A 96 5.204 -5.322 -0.990 1.00 0.00 H new ATOM 1509 N SER A 97 2.959 -3.545 6.600 1.00 0.00 N ATOM 1510 CA SER A 97 2.175 -2.679 7.472 1.00 0.00 C ATOM 1511 C SER A 97 0.704 -3.085 7.462 1.00 0.00 C ATOM 1512 O SER A 97 0.261 -3.830 6.588 1.00 0.00 O ATOM 1513 CB SER A 97 2.315 -1.219 7.037 1.00 0.00 C ATOM 1514 OG SER A 97 1.874 -1.040 5.702 1.00 0.00 O ATOM 0 H SER A 97 3.630 -3.053 6.010 1.00 0.00 H new ATOM 0 HA SER A 97 2.557 -2.787 8.487 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.735 -0.581 7.704 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.356 -0.909 7.124 1.00 0.00 H new ATOM 0 HG SER A 97 2.608 -0.683 5.160 1.00 0.00 H new ATOM 1520 N MET A 98 -0.047 -2.591 8.440 1.00 0.00 N ATOM 1521 CA MET A 98 -1.468 -2.901 8.544 1.00 0.00 C ATOM 1522 C MET A 98 -2.119 -2.934 7.164 1.00 0.00 C ATOM 1523 O MET A 98 -1.882 -2.057 6.333 1.00 0.00 O ATOM 1524 CB MET A 98 -2.174 -1.872 9.429 1.00 0.00 C ATOM 1525 CG MET A 98 -1.755 -0.438 9.147 1.00 0.00 C ATOM 1526 SD MET A 98 -2.157 0.682 10.501 1.00 0.00 S ATOM 1527 CE MET A 98 -3.947 0.654 10.444 1.00 0.00 C ATOM 0 H MET A 98 0.305 -1.974 9.172 1.00 0.00 H new ATOM 0 HA MET A 98 -1.567 -3.887 8.997 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.251 -1.962 9.288 1.00 0.00 H new ATOM 0 HB3 MET A 98 -1.969 -2.103 10.474 1.00 0.00 H new ATOM 0 HG2 MET A 98 -0.681 -0.407 8.962 1.00 0.00 H new ATOM 0 HG3 MET A 98 -2.246 -0.093 8.237 1.00 0.00 H new ATOM 0 HE1 MET A 98 -4.346 1.315 11.213 1.00 0.00 H new ATOM 0 HE2 MET A 98 -4.285 0.991 9.464 1.00 0.00 H new ATOM 0 HE3 MET A 98 -4.301 -0.362 10.620 1.00 0.00 H new ATOM 1537 N THR A 99 -2.941 -3.951 6.927 1.00 0.00 N ATOM 1538 CA THR A 99 -3.625 -4.099 5.648 1.00 0.00 C ATOM 1539 C THR A 99 -4.871 -3.223 5.587 1.00 0.00 C ATOM 1540 O THR A 99 -5.865 -3.494 6.259 1.00 0.00 O ATOM 1541 CB THR A 99 -4.028 -5.563 5.393 1.00 0.00 C ATOM 1542 OG1 THR A 99 -2.907 -6.426 5.618 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.536 -5.744 3.970 1.00 0.00 C ATOM 0 H THR A 99 -3.149 -4.685 7.604 1.00 0.00 H new ATOM 0 HA THR A 99 -2.924 -3.783 4.876 1.00 0.00 H new ATOM 0 HB THR A 99 -4.830 -5.822 6.084 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.172 -7.355 5.455 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.815 -6.786 3.813 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.406 -5.108 3.811 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.751 -5.468 3.266 1.00 0.00 H new ATOM 1551 N ALA A 100 -4.810 -2.172 4.776 1.00 0.00 N ATOM 1552 CA ALA A 100 -5.936 -1.258 4.625 1.00 0.00 C ATOM 1553 C ALA A 100 -6.913 -1.760 3.568 1.00 0.00 C ATOM 1554 O ALA A 100 -6.560 -1.898 2.396 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.439 0.136 4.267 1.00 0.00 C ATOM 0 H ALA A 100 -3.993 -1.932 4.214 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.464 -1.211 5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.290 0.809 4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.786 0.504 5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.885 0.095 3.329 1.00 0.00 H new ATOM 1561 N HIS A 101 -8.144 -2.034 3.989 1.00 0.00 N ATOM 1562 CA HIS A 101 -9.173 -2.522 3.078 1.00 0.00 C ATOM 1563 C HIS A 101 -9.968 -1.362 2.486 1.00 0.00 C ATOM 1564 O HIS A 101 -10.494 -0.521 3.213 1.00 0.00 O ATOM 1565 CB HIS A 101 -10.115 -3.482 3.806 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.531 -4.843 4.024 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -9.803 -5.610 5.138 1.00 0.00 N ATOM 1568 CD2 HIS A 101 -8.686 -5.577 3.263 1.00 0.00 C ATOM 1569 CE1 HIS A 101 -9.149 -6.754 5.053 1.00 0.00 C ATOM 1570 NE2 HIS A 101 -8.464 -6.760 3.924 1.00 0.00 N ATOM 0 H HIS A 101 -8.453 -1.926 4.955 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.681 -3.055 2.265 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.384 -3.052 4.771 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -11.037 -3.579 3.232 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -10.414 -5.336 5.907 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.264 -5.286 2.312 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -9.171 -7.550 5.783 1.00 0.00 H new ATOM 1579 N GLY A 102 -10.051 -1.325 1.159 1.00 0.00 N ATOM 1580 CA GLY A 102 -10.783 -0.264 0.491 1.00 0.00 C ATOM 1581 C GLY A 102 -11.769 -0.794 -0.530 1.00 0.00 C ATOM 1582 O GLY A 102 -11.424 -1.637 -1.360 1.00 0.00 O ATOM 0 H GLY A 102 -9.625 -2.010 0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.317 0.328 1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.078 0.405 -0.003 1.00 0.00 H new ATOM 1586 N THR A 103 -13.003 -0.302 -0.471 1.00 0.00 N ATOM 1587 CA THR A 103 -14.043 -0.733 -1.396 1.00 0.00 C ATOM 1588 C THR A 103 -14.365 0.359 -2.409 1.00 0.00 C ATOM 1589 O THR A 103 -14.815 1.447 -2.045 1.00 0.00 O ATOM 1590 CB THR A 103 -15.333 -1.122 -0.649 1.00 0.00 C ATOM 1591 OG1 THR A 103 -15.018 -1.957 0.470 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.297 -1.848 -1.576 1.00 0.00 C ATOM 0 H THR A 103 -13.306 0.396 0.208 1.00 0.00 H new ATOM 0 HA THR A 103 -13.658 -1.608 -1.920 1.00 0.00 H new ATOM 0 HB THR A 103 -15.812 -0.209 -0.296 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.843 -2.198 0.941 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.200 -2.113 -1.027 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.558 -1.198 -2.411 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.824 -2.754 -1.955 1.00 0.00 H new ATOM 1600 N THR A 104 -14.134 0.064 -3.685 1.00 0.00 N ATOM 1601 CA THR A 104 -14.399 1.022 -4.751 1.00 0.00 C ATOM 1602 C THR A 104 -15.893 1.293 -4.887 1.00 0.00 C ATOM 1603 O THR A 104 -16.719 0.565 -4.336 1.00 0.00 O ATOM 1604 CB THR A 104 -13.854 0.523 -6.103 1.00 0.00 C ATOM 1605 OG1 THR A 104 -14.332 -0.801 -6.365 1.00 0.00 O ATOM 1606 CG2 THR A 104 -12.333 0.529 -6.108 1.00 0.00 C ATOM 0 H THR A 104 -13.764 -0.831 -4.005 1.00 0.00 H new ATOM 0 HA THR A 104 -13.888 1.946 -4.480 1.00 0.00 H new ATOM 0 HB THR A 104 -14.207 1.197 -6.884 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.748 -1.236 -7.021 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.971 0.173 -7.072 1.00 0.00 H new ATOM 0 HG22 THR A 104 -11.973 1.543 -5.937 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.964 -0.125 -5.318 1.00 0.00 H new ATOM 1614 N PHE A 105 -16.234 2.345 -5.625 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.630 2.712 -5.833 1.00 0.00 C ATOM 1616 C PHE A 105 -18.286 1.794 -6.861 1.00 0.00 C ATOM 1617 O PHE A 105 -17.623 1.279 -7.760 1.00 0.00 O ATOM 1618 CB PHE A 105 -17.732 4.168 -6.294 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.405 5.162 -5.217 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -17.986 5.061 -3.963 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -16.517 6.198 -5.458 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -17.687 5.974 -2.969 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.214 7.113 -4.468 1.00 0.00 C ATOM 1624 CZ PHE A 105 -16.801 7.002 -3.222 1.00 0.00 C ATOM 0 H PHE A 105 -15.563 2.958 -6.089 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.155 2.600 -4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.058 4.322 -7.136 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -18.743 4.356 -6.656 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -18.681 4.259 -3.760 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.057 6.291 -6.430 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -18.146 5.883 -1.996 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -15.519 7.915 -4.668 1.00 0.00 H new ATOM 0 HZ PHE A 105 -16.567 7.718 -2.448 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.593 1.595 -6.718 1.00 0.00 N ATOM 1635 CA GLU A 106 -20.339 0.739 -7.632 1.00 0.00 C ATOM 1636 C GLU A 106 -20.461 1.388 -9.008 1.00 0.00 C ATOM 1637 O GLU A 106 -21.026 2.474 -9.146 1.00 0.00 O ATOM 1638 CB GLU A 106 -21.731 0.444 -7.070 1.00 0.00 C ATOM 1639 CG GLU A 106 -21.725 -0.553 -5.923 1.00 0.00 C ATOM 1640 CD GLU A 106 -23.050 -1.275 -5.771 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -23.552 -1.814 -6.779 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -23.584 -1.300 -4.642 1.00 0.00 O ATOM 0 H GLU A 106 -20.156 2.015 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.792 -0.198 -7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -22.181 1.376 -6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -22.363 0.060 -7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -20.934 -1.284 -6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -21.491 -0.032 -4.995 1.00 0.00 H new ATOM 1649 N LEU A 107 -19.929 0.716 -10.022 1.00 0.00 N ATOM 1650 CA LEU A 107 -19.978 1.226 -11.388 1.00 0.00 C ATOM 1651 C LEU A 107 -21.128 0.594 -12.165 1.00 0.00 C ATOM 1652 O LEU A 107 -21.971 1.295 -12.725 1.00 0.00 O ATOM 1653 CB LEU A 107 -18.653 0.953 -12.103 1.00 0.00 C ATOM 1654 CG LEU A 107 -18.609 1.303 -13.591 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -18.642 2.811 -13.786 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -17.371 0.706 -14.243 1.00 0.00 C ATOM 0 H LEU A 107 -19.458 -0.184 -9.925 1.00 0.00 H new ATOM 0 HA LEU A 107 -20.144 2.302 -11.342 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.867 1.512 -11.595 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -18.414 -0.105 -11.992 1.00 0.00 H new ATOM 0 HG LEU A 107 -19.489 0.876 -14.071 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -18.610 3.041 -14.851 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -19.559 3.214 -13.355 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -17.781 3.261 -13.292 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -17.356 0.965 -15.302 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -16.478 1.103 -13.760 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -17.390 -0.378 -14.135 1.00 0.00 H new