USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 740 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 68 SER OG : rot -73:sc= -0.397 USER MOD Set 1.2: A 71 GLN : amide:sc= 0.357 X(o=-0.04,f=-0.46) USER MOD Set 2.1: A 27 TYR OH : rot 180:sc= 0.143 USER MOD Set 2.2: A 40 SER OG : rot 112:sc= 0.709 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 79:sc= 0.701 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.1!) USER MOD Single : A 26 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.12) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.658 USER MOD Single : A 30 THR OG1 : rot 75:sc= 0.71 USER MOD Single : A 35 LYS NZ :NH3+ 166:sc=-0.00036 (180deg=-0.311) USER MOD Single : A 39 SER OG : rot 176:sc= -3.07! USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.175 X(o=0.18,f=0) USER MOD Single : A 67 MET CE :methyl -173:sc= -3.77 (180deg=-4.13!) USER MOD Single : A 74 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0801) USER MOD Single : A 77 CYS SG : rot 140:sc= -0.0047 USER MOD Single : A 78 SER OG : rot 180:sc= 0.115 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -23:sc= 1.55 USER MOD Single : A 85 SER OG : rot 180:sc= 0.141 USER MOD Single : A 88 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.57) USER MOD Single : A 95 ASN : amide:sc= -2.05 K(o=-2,f=-2.8!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00307 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.38 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 1.138 -0.459 -3.305 1.00 0.00 N ATOM 19 CA GLY A 2 0.565 -1.228 -4.393 1.00 0.00 C ATOM 20 C GLY A 2 -0.950 -1.181 -4.401 1.00 0.00 C ATOM 21 O GLY A 2 -1.583 -1.488 -5.411 1.00 0.00 O ATOM 0 HA2 GLY A 2 0.942 -0.846 -5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.893 -2.264 -4.313 1.00 0.00 H new ATOM 25 N VAL A 3 -1.535 -0.797 -3.270 1.00 0.00 N ATOM 26 CA VAL A 3 -2.985 -0.711 -3.150 1.00 0.00 C ATOM 27 C VAL A 3 -3.392 0.385 -2.172 1.00 0.00 C ATOM 28 O VAL A 3 -2.975 0.383 -1.014 1.00 0.00 O ATOM 29 CB VAL A 3 -3.590 -2.049 -2.685 1.00 0.00 C ATOM 30 CG1 VAL A 3 -2.941 -2.506 -1.387 1.00 0.00 C ATOM 31 CG2 VAL A 3 -5.097 -1.924 -2.521 1.00 0.00 C ATOM 0 H VAL A 3 -1.026 -0.541 -2.424 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.371 -0.471 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.392 -2.802 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.381 -3.453 -1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.870 -2.637 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.106 -1.756 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.508 -2.879 -2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.320 -1.158 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.545 -1.646 -3.475 1.00 0.00 H new ATOM 41 N GLN A 4 -4.209 1.320 -2.647 1.00 0.00 N ATOM 42 CA GLN A 4 -4.672 2.424 -1.813 1.00 0.00 C ATOM 43 C GLN A 4 -6.189 2.393 -1.663 1.00 0.00 C ATOM 44 O GLN A 4 -6.914 2.141 -2.626 1.00 0.00 O ATOM 45 CB GLN A 4 -4.233 3.761 -2.412 1.00 0.00 C ATOM 46 CG GLN A 4 -3.025 4.371 -1.719 1.00 0.00 C ATOM 47 CD GLN A 4 -1.733 3.659 -2.065 1.00 0.00 C ATOM 48 OE1 GLN A 4 -1.346 3.580 -3.231 1.00 0.00 O ATOM 49 NE2 GLN A 4 -1.056 3.134 -1.050 1.00 0.00 N ATOM 0 H GLN A 4 -4.564 1.335 -3.603 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.226 2.313 -0.825 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -4.002 3.618 -3.468 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.065 4.464 -2.360 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.943 5.421 -1.998 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.175 4.339 -0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.413 3.223 -0.099 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -0.179 2.642 -1.222 1.00 0.00 H new ATOM 58 N VAL A 5 -6.664 2.651 -0.449 1.00 0.00 N ATOM 59 CA VAL A 5 -8.096 2.654 -0.173 1.00 0.00 C ATOM 60 C VAL A 5 -8.555 4.017 0.334 1.00 0.00 C ATOM 61 O VAL A 5 -8.097 4.491 1.374 1.00 0.00 O ATOM 62 CB VAL A 5 -8.469 1.580 0.866 1.00 0.00 C ATOM 63 CG1 VAL A 5 -7.635 1.744 2.127 1.00 0.00 C ATOM 64 CG2 VAL A 5 -9.954 1.644 1.188 1.00 0.00 C ATOM 0 H VAL A 5 -6.078 2.861 0.359 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.600 2.431 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.254 0.599 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.913 0.976 2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.578 1.644 1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.816 2.729 2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -10.200 0.878 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.197 2.627 1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.531 1.473 0.279 1.00 0.00 H new ATOM 74 N VAL A 6 -9.463 4.643 -0.408 1.00 0.00 N ATOM 75 CA VAL A 6 -9.986 5.951 -0.034 1.00 0.00 C ATOM 76 C VAL A 6 -11.470 5.872 0.307 1.00 0.00 C ATOM 77 O VAL A 6 -12.307 5.632 -0.563 1.00 0.00 O ATOM 78 CB VAL A 6 -9.784 6.980 -1.162 1.00 0.00 C ATOM 79 CG1 VAL A 6 -10.055 8.388 -0.655 1.00 0.00 C ATOM 80 CG2 VAL A 6 -8.379 6.872 -1.736 1.00 0.00 C ATOM 0 H VAL A 6 -9.852 4.265 -1.272 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.430 6.274 0.846 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.495 6.764 -1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.907 9.101 -1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.082 8.454 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.370 8.619 0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.254 7.606 -2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.649 7.062 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.227 5.871 -2.139 1.00 0.00 H new ATOM 90 N THR A 7 -11.791 6.078 1.581 1.00 0.00 N ATOM 91 CA THR A 7 -13.173 6.030 2.039 1.00 0.00 C ATOM 92 C THR A 7 -14.052 6.981 1.235 1.00 0.00 C ATOM 93 O THR A 7 -13.644 8.098 0.914 1.00 0.00 O ATOM 94 CB THR A 7 -13.284 6.387 3.533 1.00 0.00 C ATOM 95 OG1 THR A 7 -12.336 5.626 4.290 1.00 0.00 O ATOM 96 CG2 THR A 7 -14.688 6.118 4.052 1.00 0.00 C ATOM 0 H THR A 7 -11.111 6.280 2.314 1.00 0.00 H new ATOM 0 HA THR A 7 -13.518 5.007 1.891 1.00 0.00 H new ATOM 0 HB THR A 7 -13.070 7.450 3.646 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.412 5.860 5.239 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.741 6.378 5.109 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.404 6.721 3.494 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.927 5.062 3.926 1.00 0.00 H new ATOM 104 N LEU A 8 -15.260 6.532 0.912 1.00 0.00 N ATOM 105 CA LEU A 8 -16.198 7.345 0.145 1.00 0.00 C ATOM 106 C LEU A 8 -17.516 7.508 0.894 1.00 0.00 C ATOM 107 O LEU A 8 -18.086 8.598 0.938 1.00 0.00 O ATOM 108 CB LEU A 8 -16.452 6.711 -1.224 1.00 0.00 C ATOM 109 CG LEU A 8 -15.208 6.363 -2.043 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.510 5.237 -3.020 1.00 0.00 C ATOM 111 CD2 LEU A 8 -14.697 7.591 -2.783 1.00 0.00 C ATOM 0 H LEU A 8 -15.613 5.610 1.169 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.756 8.331 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -17.033 5.800 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -17.069 7.393 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.429 6.024 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.613 5.003 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.829 4.353 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -16.304 5.547 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.812 7.325 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.472 7.959 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.441 8.369 -2.064 1.00 0.00 H new ATOM 123 N ALA A 9 -17.995 6.418 1.484 1.00 0.00 N ATOM 124 CA ALA A 9 -19.244 6.441 2.236 1.00 0.00 C ATOM 125 C ALA A 9 -19.129 5.622 3.517 1.00 0.00 C ATOM 126 O ALA A 9 -19.123 4.392 3.480 1.00 0.00 O ATOM 127 CB ALA A 9 -20.387 5.922 1.376 1.00 0.00 C ATOM 0 H ALA A 9 -17.537 5.507 1.456 1.00 0.00 H new ATOM 0 HA ALA A 9 -19.453 7.474 2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -21.313 5.945 1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.492 6.551 0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.175 4.898 1.069 1.00 0.00 H new ATOM 133 N ALA A 10 -19.037 6.313 4.649 1.00 0.00 N ATOM 134 CA ALA A 10 -18.924 5.649 5.941 1.00 0.00 C ATOM 135 C ALA A 10 -20.013 4.595 6.115 1.00 0.00 C ATOM 136 O ALA A 10 -21.113 4.733 5.583 1.00 0.00 O ATOM 137 CB ALA A 10 -18.992 6.671 7.067 1.00 0.00 C ATOM 0 H ALA A 10 -19.039 7.332 4.697 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.958 5.145 5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.906 6.161 8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.175 7.384 6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.944 7.200 7.021 1.00 0.00 H new ATOM 143 N GLY A 11 -19.697 3.542 6.862 1.00 0.00 N ATOM 144 CA GLY A 11 -20.658 2.479 7.091 1.00 0.00 C ATOM 145 C GLY A 11 -20.788 2.121 8.558 1.00 0.00 C ATOM 146 O GLY A 11 -21.081 2.979 9.390 1.00 0.00 O ATOM 0 H GLY A 11 -18.792 3.406 7.313 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -21.631 2.785 6.707 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -20.357 1.594 6.530 1.00 0.00 H new ATOM 150 N ASP A 12 -20.570 0.849 8.876 1.00 0.00 N ATOM 151 CA ASP A 12 -20.664 0.379 10.253 1.00 0.00 C ATOM 152 C ASP A 12 -19.421 0.767 11.046 1.00 0.00 C ATOM 153 O ASP A 12 -19.515 1.178 12.202 1.00 0.00 O ATOM 154 CB ASP A 12 -20.851 -1.139 10.283 1.00 0.00 C ATOM 155 CG ASP A 12 -21.292 -1.641 11.645 1.00 0.00 C ATOM 156 OD1 ASP A 12 -22.120 -0.962 12.287 1.00 0.00 O ATOM 157 OD2 ASP A 12 -20.808 -2.712 12.068 1.00 0.00 O ATOM 0 H ASP A 12 -20.327 0.126 8.199 1.00 0.00 H new ATOM 0 HA ASP A 12 -21.529 0.854 10.715 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.591 -1.426 9.536 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -19.914 -1.623 10.006 1.00 0.00 H new ATOM 162 N GLU A 13 -18.257 0.631 10.417 1.00 0.00 N ATOM 163 CA GLU A 13 -16.995 0.966 11.067 1.00 0.00 C ATOM 164 C GLU A 13 -16.841 0.206 12.381 1.00 0.00 C ATOM 165 O GLU A 13 -16.144 0.654 13.291 1.00 0.00 O ATOM 166 CB GLU A 13 -16.912 2.473 11.323 1.00 0.00 C ATOM 167 CG GLU A 13 -16.354 3.260 10.149 1.00 0.00 C ATOM 168 CD GLU A 13 -17.442 3.839 9.265 1.00 0.00 C ATOM 169 OE1 GLU A 13 -18.501 4.224 9.803 1.00 0.00 O ATOM 170 OE2 GLU A 13 -17.233 3.908 8.036 1.00 0.00 O ATOM 0 H GLU A 13 -18.162 0.292 9.460 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.184 0.673 10.401 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.907 2.848 11.561 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.287 2.650 12.198 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.727 4.069 10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.714 2.610 9.552 1.00 0.00 H new ATOM 177 N ALA A 14 -17.498 -0.945 12.472 1.00 0.00 N ATOM 178 CA ALA A 14 -17.434 -1.768 13.674 1.00 0.00 C ATOM 179 C ALA A 14 -17.197 -3.233 13.323 1.00 0.00 C ATOM 180 O ALA A 14 -16.440 -3.930 14.000 1.00 0.00 O ATOM 181 CB ALA A 14 -18.712 -1.618 14.486 1.00 0.00 C ATOM 0 H ALA A 14 -18.081 -1.329 11.728 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.593 -1.424 14.276 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.650 -2.238 15.380 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.839 -0.575 14.776 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.564 -1.933 13.884 1.00 0.00 H new ATOM 187 N THR A 15 -17.848 -3.696 12.261 1.00 0.00 N ATOM 188 CA THR A 15 -17.710 -5.079 11.822 1.00 0.00 C ATOM 189 C THR A 15 -16.771 -5.184 10.625 1.00 0.00 C ATOM 190 O THR A 15 -17.067 -4.673 9.545 1.00 0.00 O ATOM 191 CB THR A 15 -19.074 -5.688 11.445 1.00 0.00 C ATOM 192 OG1 THR A 15 -20.014 -5.475 12.503 1.00 0.00 O ATOM 193 CG2 THR A 15 -18.943 -7.178 11.168 1.00 0.00 C ATOM 0 H THR A 15 -18.477 -3.133 11.688 1.00 0.00 H new ATOM 0 HA THR A 15 -17.291 -5.636 12.660 1.00 0.00 H new ATOM 0 HB THR A 15 -19.429 -5.196 10.539 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.355 -4.557 12.458 1.00 0.00 H new ATOM 0 HG21 THR A 15 -19.919 -7.586 10.904 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.249 -7.335 10.343 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.568 -7.682 12.059 1.00 0.00 H new ATOM 201 N TYR A 16 -15.639 -5.850 10.824 1.00 0.00 N ATOM 202 CA TYR A 16 -14.656 -6.021 9.761 1.00 0.00 C ATOM 203 C TYR A 16 -14.441 -7.500 9.450 1.00 0.00 C ATOM 204 O TYR A 16 -14.650 -8.374 10.292 1.00 0.00 O ATOM 205 CB TYR A 16 -13.328 -5.374 10.157 1.00 0.00 C ATOM 206 CG TYR A 16 -13.417 -3.877 10.348 1.00 0.00 C ATOM 207 CD1 TYR A 16 -14.040 -3.335 11.465 1.00 0.00 C ATOM 208 CD2 TYR A 16 -12.879 -3.004 9.410 1.00 0.00 C ATOM 209 CE1 TYR A 16 -14.125 -1.967 11.643 1.00 0.00 C ATOM 210 CE2 TYR A 16 -12.958 -1.635 9.580 1.00 0.00 C ATOM 211 CZ TYR A 16 -13.582 -1.122 10.698 1.00 0.00 C ATOM 212 OH TYR A 16 -13.663 0.241 10.871 1.00 0.00 O ATOM 0 H TYR A 16 -15.379 -6.280 11.712 1.00 0.00 H new ATOM 0 HA TYR A 16 -15.038 -5.532 8.865 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.973 -5.829 11.082 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.585 -5.590 9.389 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -14.465 -3.994 12.207 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.391 -3.403 8.533 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.614 -1.562 12.517 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.534 -0.971 8.842 1.00 0.00 H new ATOM 0 HH TYR A 16 -13.231 0.693 10.116 1.00 0.00 H new ATOM 222 N PRO A 17 -14.014 -7.786 8.212 1.00 0.00 N ATOM 223 CA PRO A 17 -13.760 -9.158 7.760 1.00 0.00 C ATOM 224 C PRO A 17 -12.536 -9.772 8.430 1.00 0.00 C ATOM 225 O PRO A 17 -11.476 -9.150 8.500 1.00 0.00 O ATOM 226 CB PRO A 17 -13.522 -8.997 6.256 1.00 0.00 C ATOM 227 CG PRO A 17 -13.043 -7.596 6.096 1.00 0.00 C ATOM 228 CD PRO A 17 -13.745 -6.794 7.157 1.00 0.00 C ATOM 0 HA PRO A 17 -14.584 -9.828 8.006 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.783 -9.712 5.893 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.437 -9.170 5.690 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.961 -7.538 6.215 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.275 -7.215 5.101 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.122 -5.978 7.522 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.666 -6.348 6.780 1.00 0.00 H new ATOM 236 N LYS A 18 -12.689 -10.996 8.923 1.00 0.00 N ATOM 237 CA LYS A 18 -11.595 -11.697 9.586 1.00 0.00 C ATOM 238 C LYS A 18 -10.733 -12.443 8.574 1.00 0.00 C ATOM 239 O LYS A 18 -11.245 -13.025 7.618 1.00 0.00 O ATOM 240 CB LYS A 18 -12.146 -12.677 10.625 1.00 0.00 C ATOM 241 CG LYS A 18 -11.148 -13.034 11.713 1.00 0.00 C ATOM 242 CD LYS A 18 -11.819 -13.759 12.868 1.00 0.00 C ATOM 243 CE LYS A 18 -10.801 -14.477 13.741 1.00 0.00 C ATOM 244 NZ LYS A 18 -11.431 -15.071 14.953 1.00 0.00 N ATOM 0 H LYS A 18 -13.561 -11.524 8.876 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.973 -10.956 10.088 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.034 -12.244 11.086 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.462 -13.590 10.120 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.362 -13.663 11.295 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.669 -12.127 12.081 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.378 -13.045 13.472 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.538 -14.479 12.478 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.316 -15.263 13.162 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.023 -13.776 14.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.705 -15.551 15.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.872 -14.318 15.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.156 -15.759 14.666 1.00 0.00 H new ATOM 258 N ALA A 19 -9.422 -12.424 8.791 1.00 0.00 N ATOM 259 CA ALA A 19 -8.490 -13.102 7.899 1.00 0.00 C ATOM 260 C ALA A 19 -8.829 -14.584 7.774 1.00 0.00 C ATOM 261 O ALA A 19 -8.699 -15.343 8.733 1.00 0.00 O ATOM 262 CB ALA A 19 -7.062 -12.926 8.395 1.00 0.00 C ATOM 0 H ALA A 19 -8.981 -11.946 9.577 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.578 -12.651 6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.376 -13.437 7.719 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.816 -11.865 8.426 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.969 -13.350 9.395 1.00 0.00 H new ATOM 268 N GLY A 20 -9.266 -14.988 6.585 1.00 0.00 N ATOM 269 CA GLY A 20 -9.619 -16.377 6.357 1.00 0.00 C ATOM 270 C GLY A 20 -11.117 -16.606 6.379 1.00 0.00 C ATOM 271 O GLY A 20 -11.582 -17.725 6.164 1.00 0.00 O ATOM 0 H GLY A 20 -9.382 -14.378 5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.220 -16.697 5.394 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.148 -16.998 7.119 1.00 0.00 H new ATOM 275 N GLN A 21 -11.873 -15.545 6.641 1.00 0.00 N ATOM 276 CA GLN A 21 -13.327 -15.637 6.692 1.00 0.00 C ATOM 277 C GLN A 21 -13.949 -15.162 5.383 1.00 0.00 C ATOM 278 O GLN A 21 -13.299 -14.490 4.583 1.00 0.00 O ATOM 279 CB GLN A 21 -13.871 -14.810 7.859 1.00 0.00 C ATOM 280 CG GLN A 21 -14.561 -15.644 8.926 1.00 0.00 C ATOM 281 CD GLN A 21 -15.673 -14.889 9.627 1.00 0.00 C ATOM 282 OE1 GLN A 21 -16.773 -15.411 9.813 1.00 0.00 O ATOM 283 NE2 GLN A 21 -15.393 -13.652 10.021 1.00 0.00 N ATOM 0 H GLN A 21 -11.503 -14.612 6.821 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.595 -16.683 6.841 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -13.050 -14.258 8.316 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.576 -14.073 7.474 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.970 -16.545 8.469 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.825 -15.966 9.663 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.468 -13.258 9.847 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -16.103 -13.096 10.498 1.00 0.00 H new ATOM 292 N VAL A 22 -15.213 -15.517 5.172 1.00 0.00 N ATOM 293 CA VAL A 22 -15.923 -15.126 3.960 1.00 0.00 C ATOM 294 C VAL A 22 -16.508 -13.725 4.093 1.00 0.00 C ATOM 295 O VAL A 22 -17.000 -13.345 5.156 1.00 0.00 O ATOM 296 CB VAL A 22 -17.058 -16.115 3.632 1.00 0.00 C ATOM 297 CG1 VAL A 22 -17.653 -15.811 2.265 1.00 0.00 C ATOM 298 CG2 VAL A 22 -16.551 -17.548 3.694 1.00 0.00 C ATOM 0 H VAL A 22 -15.765 -16.074 5.824 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.195 -15.137 3.149 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.844 -15.999 4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -18.453 -16.520 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -18.055 -14.798 2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -16.878 -15.897 1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.366 -18.233 3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.746 -17.681 2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.177 -17.759 4.696 1.00 0.00 H new ATOM 308 N ALA A 23 -16.452 -12.960 3.008 1.00 0.00 N ATOM 309 CA ALA A 23 -16.978 -11.601 3.002 1.00 0.00 C ATOM 310 C ALA A 23 -17.655 -11.280 1.674 1.00 0.00 C ATOM 311 O ALA A 23 -17.167 -11.659 0.609 1.00 0.00 O ATOM 312 CB ALA A 23 -15.865 -10.603 3.285 1.00 0.00 C ATOM 0 H ALA A 23 -16.047 -13.259 2.121 1.00 0.00 H new ATOM 0 HA ALA A 23 -17.728 -11.525 3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.272 -9.592 3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.429 -10.811 4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.095 -10.690 2.518 1.00 0.00 H new ATOM 318 N VAL A 24 -18.781 -10.578 1.743 1.00 0.00 N ATOM 319 CA VAL A 24 -19.525 -10.205 0.546 1.00 0.00 C ATOM 320 C VAL A 24 -19.506 -8.695 0.335 1.00 0.00 C ATOM 321 O VAL A 24 -19.911 -7.930 1.211 1.00 0.00 O ATOM 322 CB VAL A 24 -20.987 -10.684 0.621 1.00 0.00 C ATOM 323 CG1 VAL A 24 -21.674 -10.517 -0.726 1.00 0.00 C ATOM 324 CG2 VAL A 24 -21.050 -12.131 1.085 1.00 0.00 C ATOM 0 H VAL A 24 -19.199 -10.256 2.616 1.00 0.00 H new ATOM 0 HA VAL A 24 -19.034 -10.693 -0.296 1.00 0.00 H new ATOM 0 HB VAL A 24 -21.515 -10.069 1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -22.706 -10.861 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -21.661 -9.466 -1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -21.148 -11.105 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -22.090 -12.453 1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -20.506 -12.762 0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -20.599 -12.216 2.073 1.00 0.00 H new ATOM 334 N VAL A 25 -19.033 -8.272 -0.833 1.00 0.00 N ATOM 335 CA VAL A 25 -18.962 -6.853 -1.160 1.00 0.00 C ATOM 336 C VAL A 25 -19.253 -6.614 -2.637 1.00 0.00 C ATOM 337 O VAL A 25 -19.253 -7.548 -3.440 1.00 0.00 O ATOM 338 CB VAL A 25 -17.580 -6.266 -0.819 1.00 0.00 C ATOM 339 CG1 VAL A 25 -17.112 -6.757 0.543 1.00 0.00 C ATOM 340 CG2 VAL A 25 -16.569 -6.623 -1.899 1.00 0.00 C ATOM 0 H VAL A 25 -18.693 -8.892 -1.568 1.00 0.00 H new ATOM 0 HA VAL A 25 -19.720 -6.352 -0.558 1.00 0.00 H new ATOM 0 HB VAL A 25 -17.666 -5.180 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.134 -6.332 0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.826 -6.447 1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.041 -7.845 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.598 -6.200 -1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.484 -7.707 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.900 -6.218 -2.855 1.00 0.00 H new ATOM 350 N HIS A 26 -19.501 -5.357 -2.991 1.00 0.00 N ATOM 351 CA HIS A 26 -19.792 -4.995 -4.373 1.00 0.00 C ATOM 352 C HIS A 26 -18.632 -4.217 -4.987 1.00 0.00 C ATOM 353 O HIS A 26 -18.224 -3.178 -4.468 1.00 0.00 O ATOM 354 CB HIS A 26 -21.074 -4.163 -4.445 1.00 0.00 C ATOM 355 CG HIS A 26 -22.279 -4.954 -4.852 1.00 0.00 C ATOM 356 ND1 HIS A 26 -22.444 -5.476 -6.118 1.00 0.00 N ATOM 357 CD2 HIS A 26 -23.380 -5.313 -4.152 1.00 0.00 C ATOM 358 CE1 HIS A 26 -23.596 -6.120 -6.179 1.00 0.00 C ATOM 359 NE2 HIS A 26 -24.183 -6.036 -4.999 1.00 0.00 N ATOM 0 H HIS A 26 -19.506 -4.572 -2.340 1.00 0.00 H new ATOM 0 HA HIS A 26 -19.931 -5.914 -4.942 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -21.259 -3.710 -3.471 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -20.929 -3.347 -5.153 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -23.588 -5.075 -3.119 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -23.990 -6.629 -7.046 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -25.086 -6.442 -4.756 1.00 0.00 H new ATOM 367 N TYR A 27 -18.105 -4.728 -6.094 1.00 0.00 N ATOM 368 CA TYR A 27 -16.989 -4.083 -6.777 1.00 0.00 C ATOM 369 C TYR A 27 -17.472 -3.319 -8.007 1.00 0.00 C ATOM 370 O TYR A 27 -18.411 -3.738 -8.684 1.00 0.00 O ATOM 371 CB TYR A 27 -15.945 -5.123 -7.186 1.00 0.00 C ATOM 372 CG TYR A 27 -16.446 -6.114 -8.213 1.00 0.00 C ATOM 373 CD1 TYR A 27 -16.490 -5.785 -9.562 1.00 0.00 C ATOM 374 CD2 TYR A 27 -16.876 -7.380 -7.833 1.00 0.00 C ATOM 375 CE1 TYR A 27 -16.948 -6.687 -10.503 1.00 0.00 C ATOM 376 CE2 TYR A 27 -17.334 -8.288 -8.767 1.00 0.00 C ATOM 377 CZ TYR A 27 -17.369 -7.937 -10.100 1.00 0.00 C ATOM 378 OH TYR A 27 -17.825 -8.839 -11.035 1.00 0.00 O ATOM 0 H TYR A 27 -18.432 -5.586 -6.538 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.534 -3.373 -6.086 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.070 -4.610 -7.586 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.618 -5.666 -6.299 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -16.160 -4.807 -9.881 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -16.851 -7.658 -6.790 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -16.976 -6.415 -11.548 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -17.663 -9.268 -8.455 1.00 0.00 H new ATOM 0 HH TYR A 27 -18.082 -9.672 -10.588 1.00 0.00 H new ATOM 388 N THR A 28 -16.821 -2.195 -8.290 1.00 0.00 N ATOM 389 CA THR A 28 -17.181 -1.371 -9.437 1.00 0.00 C ATOM 390 C THR A 28 -15.941 -0.903 -10.189 1.00 0.00 C ATOM 391 O THR A 28 -15.013 -0.356 -9.595 1.00 0.00 O ATOM 392 CB THR A 28 -18.003 -0.141 -9.008 1.00 0.00 C ATOM 393 OG1 THR A 28 -19.231 -0.560 -8.400 1.00 0.00 O ATOM 394 CG2 THR A 28 -18.302 0.753 -10.202 1.00 0.00 C ATOM 0 H THR A 28 -16.041 -1.834 -7.740 1.00 0.00 H new ATOM 0 HA THR A 28 -17.788 -1.993 -10.095 1.00 0.00 H new ATOM 0 HB THR A 28 -17.416 0.427 -8.286 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.747 0.228 -8.129 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.883 1.615 -9.875 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.366 1.094 -10.645 1.00 0.00 H new ATOM 0 HG23 THR A 28 -18.871 0.192 -10.943 1.00 0.00 H new ATOM 402 N GLY A 29 -15.933 -1.120 -11.501 1.00 0.00 N ATOM 403 CA GLY A 29 -14.801 -0.713 -12.313 1.00 0.00 C ATOM 404 C GLY A 29 -14.634 0.793 -12.361 1.00 0.00 C ATOM 405 O GLY A 29 -15.616 1.536 -12.343 1.00 0.00 O ATOM 0 H GLY A 29 -16.690 -1.570 -12.016 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.892 -1.164 -11.915 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.929 -1.094 -13.326 1.00 0.00 H new ATOM 409 N THR A 30 -13.386 1.247 -12.422 1.00 0.00 N ATOM 410 CA THR A 30 -13.094 2.674 -12.471 1.00 0.00 C ATOM 411 C THR A 30 -11.617 2.923 -12.754 1.00 0.00 C ATOM 412 O THR A 30 -10.747 2.219 -12.238 1.00 0.00 O ATOM 413 CB THR A 30 -13.476 3.371 -11.151 1.00 0.00 C ATOM 414 OG1 THR A 30 -13.972 2.409 -10.215 1.00 0.00 O ATOM 415 CG2 THR A 30 -14.528 4.443 -11.391 1.00 0.00 C ATOM 0 H THR A 30 -12.561 0.647 -12.439 1.00 0.00 H new ATOM 0 HA THR A 30 -13.692 3.092 -13.281 1.00 0.00 H new ATOM 0 HB THR A 30 -12.583 3.845 -10.744 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.224 1.890 -9.852 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.782 4.922 -10.445 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.136 5.190 -12.082 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.421 3.987 -11.819 1.00 0.00 H new ATOM 423 N LEU A 31 -11.338 3.929 -13.576 1.00 0.00 N ATOM 424 CA LEU A 31 -9.965 4.272 -13.928 1.00 0.00 C ATOM 425 C LEU A 31 -9.463 5.441 -13.087 1.00 0.00 C ATOM 426 O LEU A 31 -10.252 6.181 -12.501 1.00 0.00 O ATOM 427 CB LEU A 31 -9.870 4.621 -15.415 1.00 0.00 C ATOM 428 CG LEU A 31 -9.836 3.437 -16.381 1.00 0.00 C ATOM 429 CD1 LEU A 31 -9.750 3.924 -17.819 1.00 0.00 C ATOM 430 CD2 LEU A 31 -8.667 2.518 -16.057 1.00 0.00 C ATOM 0 H LEU A 31 -12.045 4.522 -14.011 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.337 3.405 -13.724 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.720 5.252 -15.675 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.971 5.217 -15.571 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.760 2.871 -16.265 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.727 3.067 -18.493 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.619 4.541 -18.047 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.842 4.513 -17.950 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.658 1.681 -16.755 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.733 3.073 -16.144 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.771 2.141 -15.039 1.00 0.00 H new ATOM 442 N ALA A 32 -8.145 5.602 -13.034 1.00 0.00 N ATOM 443 CA ALA A 32 -7.537 6.683 -12.268 1.00 0.00 C ATOM 444 C ALA A 32 -8.018 8.043 -12.762 1.00 0.00 C ATOM 445 O ALA A 32 -7.948 9.037 -12.039 1.00 0.00 O ATOM 446 CB ALA A 32 -6.020 6.597 -12.345 1.00 0.00 C ATOM 0 H ALA A 32 -7.478 4.997 -13.513 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.843 6.575 -11.227 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.580 7.411 -11.768 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.689 5.642 -11.937 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.703 6.677 -13.385 1.00 0.00 H new ATOM 452 N ASP A 33 -8.506 8.080 -13.997 1.00 0.00 N ATOM 453 CA ASP A 33 -8.999 9.319 -14.588 1.00 0.00 C ATOM 454 C ASP A 33 -10.426 9.608 -14.131 1.00 0.00 C ATOM 455 O ASP A 33 -10.918 10.727 -14.271 1.00 0.00 O ATOM 456 CB ASP A 33 -8.945 9.238 -16.114 1.00 0.00 C ATOM 457 CG ASP A 33 -7.554 8.925 -16.629 1.00 0.00 C ATOM 458 OD1 ASP A 33 -6.574 9.390 -16.010 1.00 0.00 O ATOM 459 OD2 ASP A 33 -7.445 8.214 -17.649 1.00 0.00 O ATOM 0 H ASP A 33 -8.571 7.266 -14.609 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.357 10.134 -14.253 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.638 8.471 -16.459 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.281 10.185 -16.537 1.00 0.00 H new ATOM 464 N GLY A 34 -11.085 8.591 -13.585 1.00 0.00 N ATOM 465 CA GLY A 34 -12.449 8.756 -13.118 1.00 0.00 C ATOM 466 C GLY A 34 -13.451 8.015 -13.979 1.00 0.00 C ATOM 467 O GLY A 34 -14.588 7.786 -13.566 1.00 0.00 O ATOM 0 H GLY A 34 -10.699 7.656 -13.458 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.523 8.399 -12.091 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.700 9.817 -13.106 1.00 0.00 H new ATOM 471 N LYS A 35 -13.031 7.638 -15.182 1.00 0.00 N ATOM 472 CA LYS A 35 -13.899 6.919 -16.106 1.00 0.00 C ATOM 473 C LYS A 35 -14.495 5.681 -15.442 1.00 0.00 C ATOM 474 O LYS A 35 -13.767 4.803 -14.978 1.00 0.00 O ATOM 475 CB LYS A 35 -13.120 6.512 -17.359 1.00 0.00 C ATOM 476 CG LYS A 35 -13.955 6.533 -18.628 1.00 0.00 C ATOM 477 CD LYS A 35 -13.082 6.617 -19.869 1.00 0.00 C ATOM 478 CE LYS A 35 -12.922 8.053 -20.343 1.00 0.00 C ATOM 479 NZ LYS A 35 -11.799 8.744 -19.650 1.00 0.00 N ATOM 0 H LYS A 35 -12.093 7.819 -15.540 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.713 7.585 -16.392 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.270 7.183 -17.482 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.716 5.510 -17.216 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.570 5.634 -18.675 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.636 7.384 -18.603 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.101 6.192 -19.654 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -13.522 6.017 -20.666 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.746 8.063 -21.419 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.849 8.599 -20.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.568 9.623 -20.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.079 8.969 -18.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.965 8.123 -19.637 1.00 0.00 H new ATOM 493 N VAL A 36 -15.822 5.618 -15.400 1.00 0.00 N ATOM 494 CA VAL A 36 -16.515 4.487 -14.795 1.00 0.00 C ATOM 495 C VAL A 36 -16.490 3.271 -15.714 1.00 0.00 C ATOM 496 O VAL A 36 -16.570 3.402 -16.936 1.00 0.00 O ATOM 497 CB VAL A 36 -17.978 4.837 -14.464 1.00 0.00 C ATOM 498 CG1 VAL A 36 -18.800 4.955 -15.738 1.00 0.00 C ATOM 499 CG2 VAL A 36 -18.575 3.797 -13.528 1.00 0.00 C ATOM 0 H VAL A 36 -16.439 6.337 -15.778 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.988 4.251 -13.871 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.998 5.802 -13.958 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.831 5.203 -15.484 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.383 5.740 -16.369 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.776 4.007 -16.275 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.609 4.060 -13.304 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.544 2.818 -14.005 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -18.000 3.768 -12.603 1.00 0.00 H new ATOM 509 N PHE A 37 -16.378 2.089 -15.119 1.00 0.00 N ATOM 510 CA PHE A 37 -16.342 0.848 -15.884 1.00 0.00 C ATOM 511 C PHE A 37 -17.434 -0.111 -15.417 1.00 0.00 C ATOM 512 O PHE A 37 -18.268 0.240 -14.582 1.00 0.00 O ATOM 513 CB PHE A 37 -14.971 0.181 -15.752 1.00 0.00 C ATOM 514 CG PHE A 37 -14.020 0.544 -16.856 1.00 0.00 C ATOM 515 CD1 PHE A 37 -13.497 1.823 -16.946 1.00 0.00 C ATOM 516 CD2 PHE A 37 -13.648 -0.396 -17.804 1.00 0.00 C ATOM 517 CE1 PHE A 37 -12.621 2.160 -17.960 1.00 0.00 C ATOM 518 CE2 PHE A 37 -12.772 -0.065 -18.820 1.00 0.00 C ATOM 519 CZ PHE A 37 -12.259 1.214 -18.899 1.00 0.00 C ATOM 0 H PHE A 37 -16.311 1.964 -14.109 1.00 0.00 H new ATOM 0 HA PHE A 37 -16.520 1.091 -16.931 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.530 0.462 -14.796 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -15.102 -0.901 -15.737 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.777 2.566 -16.214 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -14.047 -1.398 -17.748 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.220 3.161 -18.018 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.489 -0.807 -19.552 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.576 1.475 -19.694 1.00 0.00 H new ATOM 529 N ASP A 38 -17.422 -1.322 -15.962 1.00 0.00 N ATOM 530 CA ASP A 38 -18.409 -2.333 -15.602 1.00 0.00 C ATOM 531 C ASP A 38 -18.433 -2.556 -14.093 1.00 0.00 C ATOM 532 O ASP A 38 -17.390 -2.746 -13.468 1.00 0.00 O ATOM 533 CB ASP A 38 -18.109 -3.649 -16.320 1.00 0.00 C ATOM 534 CG ASP A 38 -19.369 -4.402 -16.700 1.00 0.00 C ATOM 535 OD1 ASP A 38 -20.251 -3.797 -17.344 1.00 0.00 O ATOM 536 OD2 ASP A 38 -19.472 -5.598 -16.354 1.00 0.00 O ATOM 0 H ASP A 38 -16.739 -1.628 -16.655 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.390 -1.974 -15.914 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -17.527 -3.445 -17.218 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.493 -4.278 -15.677 1.00 0.00 H new ATOM 541 N SER A 39 -19.629 -2.531 -13.515 1.00 0.00 N ATOM 542 CA SER A 39 -19.788 -2.725 -12.078 1.00 0.00 C ATOM 543 C SER A 39 -20.731 -3.889 -11.789 1.00 0.00 C ATOM 544 O SER A 39 -21.681 -4.133 -12.533 1.00 0.00 O ATOM 545 CB SER A 39 -20.321 -1.449 -11.425 1.00 0.00 C ATOM 546 OG SER A 39 -20.066 -0.316 -12.238 1.00 0.00 O ATOM 0 H SER A 39 -20.502 -2.378 -14.019 1.00 0.00 H new ATOM 0 HA SER A 39 -18.810 -2.958 -11.657 1.00 0.00 H new ATOM 0 HB2 SER A 39 -21.393 -1.544 -11.254 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.854 -1.313 -10.450 1.00 0.00 H new ATOM 0 HG SER A 39 -20.473 0.477 -11.831 1.00 0.00 H new ATOM 552 N SER A 40 -20.461 -4.605 -10.702 1.00 0.00 N ATOM 553 CA SER A 40 -21.283 -5.746 -10.315 1.00 0.00 C ATOM 554 C SER A 40 -22.571 -5.285 -9.641 1.00 0.00 C ATOM 555 O SER A 40 -23.539 -6.039 -9.545 1.00 0.00 O ATOM 556 CB SER A 40 -20.503 -6.667 -9.375 1.00 0.00 C ATOM 557 OG SER A 40 -20.575 -8.015 -9.805 1.00 0.00 O ATOM 0 H SER A 40 -19.680 -4.415 -10.074 1.00 0.00 H new ATOM 0 HA SER A 40 -21.544 -6.297 -11.218 1.00 0.00 H new ATOM 0 HB2 SER A 40 -19.461 -6.351 -9.333 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.902 -6.583 -8.364 1.00 0.00 H new ATOM 0 HG SER A 40 -19.691 -8.309 -10.109 1.00 0.00 H new ATOM 668 N PHE A 47 -20.251 -9.803 -4.982 1.00 0.00 N ATOM 669 CA PHE A 47 -19.187 -10.800 -4.992 1.00 0.00 C ATOM 670 C PHE A 47 -18.816 -11.214 -3.571 1.00 0.00 C ATOM 671 O PHE A 47 -18.621 -10.369 -2.698 1.00 0.00 O ATOM 672 CB PHE A 47 -17.954 -10.253 -5.714 1.00 0.00 C ATOM 673 CG PHE A 47 -16.998 -11.321 -6.162 1.00 0.00 C ATOM 674 CD1 PHE A 47 -17.412 -12.323 -7.025 1.00 0.00 C ATOM 675 CD2 PHE A 47 -15.685 -11.325 -5.718 1.00 0.00 C ATOM 676 CE1 PHE A 47 -16.535 -13.307 -7.439 1.00 0.00 C ATOM 677 CE2 PHE A 47 -14.804 -12.307 -6.130 1.00 0.00 C ATOM 678 CZ PHE A 47 -15.229 -13.300 -6.990 1.00 0.00 C ATOM 0 HA PHE A 47 -19.551 -11.679 -5.524 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -18.277 -9.678 -6.582 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -17.431 -9.563 -5.051 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -18.433 -12.335 -7.378 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.347 -10.553 -5.043 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -16.871 -14.081 -8.113 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -13.783 -12.298 -5.779 1.00 0.00 H new ATOM 0 HZ PHE A 47 -14.542 -14.069 -7.311 1.00 0.00 H new ATOM 688 N ARG A 48 -18.722 -12.521 -3.348 1.00 0.00 N ATOM 689 CA ARG A 48 -18.377 -13.049 -2.033 1.00 0.00 C ATOM 690 C ARG A 48 -17.199 -14.014 -2.127 1.00 0.00 C ATOM 691 O ARG A 48 -17.114 -14.818 -3.056 1.00 0.00 O ATOM 692 CB ARG A 48 -19.582 -13.757 -1.412 1.00 0.00 C ATOM 693 CG ARG A 48 -20.137 -14.882 -2.270 1.00 0.00 C ATOM 694 CD ARG A 48 -20.564 -16.070 -1.423 1.00 0.00 C ATOM 695 NE ARG A 48 -20.594 -17.310 -2.195 1.00 0.00 N ATOM 696 CZ ARG A 48 -19.514 -18.034 -2.465 1.00 0.00 C ATOM 697 NH1 ARG A 48 -18.324 -17.645 -2.027 1.00 0.00 N ATOM 698 NH2 ARG A 48 -19.622 -19.151 -3.173 1.00 0.00 N ATOM 0 H ARG A 48 -18.880 -13.234 -4.061 1.00 0.00 H new ATOM 0 HA ARG A 48 -18.089 -12.212 -1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -19.295 -14.160 -0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -20.370 -13.025 -1.233 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -20.989 -14.517 -2.843 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -19.382 -15.199 -2.989 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -19.878 -16.182 -0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.552 -15.880 -1.004 1.00 0.00 H new ATOM 0 HE ARG A 48 -21.494 -17.638 -2.546 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -18.237 -16.788 -1.481 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.496 -18.203 -2.236 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -20.535 -19.455 -3.511 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -18.792 -19.706 -3.380 1.00 0.00 H new ATOM 712 N PHE A 49 -16.292 -13.929 -1.159 1.00 0.00 N ATOM 713 CA PHE A 49 -15.118 -14.794 -1.133 1.00 0.00 C ATOM 714 C PHE A 49 -14.416 -14.717 0.219 1.00 0.00 C ATOM 715 O PHE A 49 -14.759 -13.890 1.064 1.00 0.00 O ATOM 716 CB PHE A 49 -14.146 -14.403 -2.249 1.00 0.00 C ATOM 717 CG PHE A 49 -13.568 -13.027 -2.085 1.00 0.00 C ATOM 718 CD1 PHE A 49 -12.406 -12.831 -1.356 1.00 0.00 C ATOM 719 CD2 PHE A 49 -14.186 -11.928 -2.660 1.00 0.00 C ATOM 720 CE1 PHE A 49 -11.872 -11.565 -1.203 1.00 0.00 C ATOM 721 CE2 PHE A 49 -13.657 -10.660 -2.511 1.00 0.00 C ATOM 722 CZ PHE A 49 -12.498 -10.479 -1.783 1.00 0.00 C ATOM 0 H PHE A 49 -16.348 -13.270 -0.382 1.00 0.00 H new ATOM 0 HA PHE A 49 -15.449 -15.820 -1.292 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -13.333 -15.128 -2.283 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -14.663 -14.459 -3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -11.912 -13.677 -0.902 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -15.092 -12.064 -3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -10.967 -11.425 -0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -14.150 -9.812 -2.963 1.00 0.00 H new ATOM 0 HZ PHE A 49 -12.081 -9.489 -1.667 1.00 0.00 H new ATOM 732 N THR A 50 -13.430 -15.586 0.418 1.00 0.00 N ATOM 733 CA THR A 50 -12.680 -15.619 1.667 1.00 0.00 C ATOM 734 C THR A 50 -11.517 -14.634 1.636 1.00 0.00 C ATOM 735 O THR A 50 -10.553 -14.819 0.893 1.00 0.00 O ATOM 736 CB THR A 50 -12.135 -17.030 1.958 1.00 0.00 C ATOM 737 OG1 THR A 50 -13.208 -17.977 1.970 1.00 0.00 O ATOM 738 CG2 THR A 50 -11.406 -17.064 3.293 1.00 0.00 C ATOM 0 H THR A 50 -13.132 -16.277 -0.271 1.00 0.00 H new ATOM 0 HA THR A 50 -13.373 -15.335 2.459 1.00 0.00 H new ATOM 0 HB THR A 50 -11.429 -17.292 1.170 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.853 -18.872 2.154 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.030 -18.070 3.477 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.571 -16.364 3.270 1.00 0.00 H new ATOM 0 HG23 THR A 50 -12.094 -16.782 4.090 1.00 0.00 H new ATOM 746 N VAL A 51 -11.613 -13.586 2.448 1.00 0.00 N ATOM 747 CA VAL A 51 -10.568 -12.572 2.515 1.00 0.00 C ATOM 748 C VAL A 51 -9.250 -13.172 2.992 1.00 0.00 C ATOM 749 O VAL A 51 -9.079 -13.462 4.175 1.00 0.00 O ATOM 750 CB VAL A 51 -10.964 -11.419 3.457 1.00 0.00 C ATOM 751 CG1 VAL A 51 -9.979 -10.267 3.334 1.00 0.00 C ATOM 752 CG2 VAL A 51 -12.382 -10.953 3.160 1.00 0.00 C ATOM 0 H VAL A 51 -12.404 -13.417 3.069 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.442 -12.180 1.506 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.933 -11.784 4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.275 -9.462 4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.980 -10.613 3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.975 -9.899 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.646 -10.138 3.834 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.442 -10.605 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.075 -11.782 3.304 1.00 0.00 H new ATOM 762 N GLY A 52 -8.319 -13.356 2.060 1.00 0.00 N ATOM 763 CA GLY A 52 -7.027 -13.921 2.404 1.00 0.00 C ATOM 764 C GLY A 52 -6.688 -15.142 1.573 1.00 0.00 C ATOM 765 O GLY A 52 -5.530 -15.555 1.508 1.00 0.00 O ATOM 0 H GLY A 52 -8.437 -13.124 1.074 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.255 -13.165 2.265 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.022 -14.191 3.460 1.00 0.00 H new ATOM 769 N ARG A 53 -7.700 -15.722 0.936 1.00 0.00 N ATOM 770 CA ARG A 53 -7.504 -16.905 0.107 1.00 0.00 C ATOM 771 C ARG A 53 -6.895 -16.530 -1.240 1.00 0.00 C ATOM 772 O ARG A 53 -6.748 -15.351 -1.560 1.00 0.00 O ATOM 773 CB ARG A 53 -8.834 -17.631 -0.106 1.00 0.00 C ATOM 774 CG ARG A 53 -9.192 -18.590 1.017 1.00 0.00 C ATOM 775 CD ARG A 53 -8.310 -19.829 0.993 1.00 0.00 C ATOM 776 NE ARG A 53 -8.578 -20.669 -0.171 1.00 0.00 N ATOM 777 CZ ARG A 53 -7.817 -21.698 -0.526 1.00 0.00 C ATOM 778 NH1 ARG A 53 -6.747 -22.013 0.190 1.00 0.00 N ATOM 779 NH2 ARG A 53 -8.126 -22.415 -1.599 1.00 0.00 N ATOM 0 H ARG A 53 -8.664 -15.392 0.978 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.814 -17.571 0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.629 -16.892 -0.208 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.790 -18.184 -1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.085 -18.084 1.977 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.238 -18.884 0.926 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.262 -19.528 0.989 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.472 -20.407 1.903 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.395 -20.454 -0.743 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.506 -21.465 1.016 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.164 -22.804 -0.085 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.949 -22.176 -2.152 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.541 -23.205 -1.870 1.00 0.00 H new ATOM 793 N GLY A 54 -6.541 -17.542 -2.027 1.00 0.00 N ATOM 794 CA GLY A 54 -5.952 -17.298 -3.330 1.00 0.00 C ATOM 795 C GLY A 54 -6.986 -17.270 -4.438 1.00 0.00 C ATOM 796 O GLY A 54 -6.647 -17.394 -5.615 1.00 0.00 O ATOM 0 H GLY A 54 -6.652 -18.527 -1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.418 -16.348 -3.312 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.216 -18.073 -3.544 1.00 0.00 H new ATOM 800 N GLU A 55 -8.250 -17.107 -4.062 1.00 0.00 N ATOM 801 CA GLU A 55 -9.337 -17.066 -5.034 1.00 0.00 C ATOM 802 C GLU A 55 -9.483 -15.668 -5.627 1.00 0.00 C ATOM 803 O GLU A 55 -9.983 -15.502 -6.739 1.00 0.00 O ATOM 804 CB GLU A 55 -10.652 -17.495 -4.380 1.00 0.00 C ATOM 805 CG GLU A 55 -10.611 -18.895 -3.790 1.00 0.00 C ATOM 806 CD GLU A 55 -11.977 -19.384 -3.352 1.00 0.00 C ATOM 807 OE1 GLU A 55 -12.389 -19.059 -2.218 1.00 0.00 O ATOM 808 OE2 GLU A 55 -12.635 -20.091 -4.143 1.00 0.00 O ATOM 0 H GLU A 55 -8.547 -17.001 -3.092 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.097 -17.760 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.905 -16.785 -3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.450 -17.446 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.202 -19.585 -4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.934 -18.905 -2.935 1.00 0.00 H new ATOM 815 N VAL A 56 -9.043 -14.663 -4.875 1.00 0.00 N ATOM 816 CA VAL A 56 -9.125 -13.279 -5.326 1.00 0.00 C ATOM 817 C VAL A 56 -7.735 -12.686 -5.534 1.00 0.00 C ATOM 818 O VAL A 56 -6.726 -13.370 -5.360 1.00 0.00 O ATOM 819 CB VAL A 56 -9.897 -12.406 -4.319 1.00 0.00 C ATOM 820 CG1 VAL A 56 -11.388 -12.699 -4.392 1.00 0.00 C ATOM 821 CG2 VAL A 56 -9.371 -12.625 -2.909 1.00 0.00 C ATOM 0 H VAL A 56 -8.627 -14.782 -3.952 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.660 -13.286 -6.275 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.743 -11.359 -4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.917 -12.073 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.752 -12.485 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.564 -13.749 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.928 -12.000 -2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.492 -13.673 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.315 -12.360 -2.869 1.00 0.00 H new ATOM 831 N ILE A 57 -7.691 -11.412 -5.906 1.00 0.00 N ATOM 832 CA ILE A 57 -6.426 -10.727 -6.136 1.00 0.00 C ATOM 833 C ILE A 57 -5.953 -10.008 -4.877 1.00 0.00 C ATOM 834 O ILE A 57 -6.747 -9.708 -3.986 1.00 0.00 O ATOM 835 CB ILE A 57 -6.538 -9.707 -7.285 1.00 0.00 C ATOM 836 CG1 ILE A 57 -7.686 -8.730 -7.018 1.00 0.00 C ATOM 837 CG2 ILE A 57 -6.743 -10.423 -8.611 1.00 0.00 C ATOM 838 CD1 ILE A 57 -7.416 -7.329 -7.520 1.00 0.00 C ATOM 0 H ILE A 57 -8.517 -10.833 -6.055 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.699 -11.492 -6.410 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.608 -9.141 -7.340 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.592 -9.109 -7.491 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.878 -8.692 -5.946 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.820 -9.689 -9.413 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.897 -11.082 -8.803 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.659 -11.012 -8.569 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.271 -6.691 -7.297 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.528 -6.931 -7.028 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.253 -7.354 -8.598 1.00 0.00 H new ATOM 850 N ARG A 58 -4.654 -9.733 -4.812 1.00 0.00 N ATOM 851 CA ARG A 58 -4.075 -9.049 -3.663 1.00 0.00 C ATOM 852 C ARG A 58 -4.836 -7.763 -3.355 1.00 0.00 C ATOM 853 O ARG A 58 -5.154 -7.479 -2.201 1.00 0.00 O ATOM 854 CB ARG A 58 -2.601 -8.732 -3.921 1.00 0.00 C ATOM 855 CG ARG A 58 -1.747 -9.964 -4.171 1.00 0.00 C ATOM 856 CD ARG A 58 -1.452 -10.710 -2.879 1.00 0.00 C ATOM 857 NE ARG A 58 -0.640 -9.915 -1.962 1.00 0.00 N ATOM 858 CZ ARG A 58 -0.497 -10.199 -0.672 1.00 0.00 C ATOM 859 NH1 ARG A 58 -1.110 -11.253 -0.150 1.00 0.00 N ATOM 860 NH2 ARG A 58 0.259 -9.428 0.099 1.00 0.00 N ATOM 0 H ARG A 58 -3.983 -9.974 -5.542 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.152 -9.712 -2.801 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.526 -8.068 -4.782 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.200 -8.190 -3.065 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.260 -10.628 -4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.810 -9.669 -4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.390 -10.979 -2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.934 -11.641 -3.108 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.156 -9.097 -2.332 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.693 -11.848 -0.739 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.999 -11.469 0.841 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.731 -8.616 -0.298 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.368 -9.647 1.089 1.00 0.00 H new ATOM 874 N GLY A 59 -5.126 -6.989 -4.396 1.00 0.00 N ATOM 875 CA GLY A 59 -5.847 -5.743 -4.216 1.00 0.00 C ATOM 876 C GLY A 59 -7.102 -5.914 -3.382 1.00 0.00 C ATOM 877 O GLY A 59 -7.220 -5.336 -2.302 1.00 0.00 O ATOM 0 H GLY A 59 -4.874 -7.203 -5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.193 -5.014 -3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.115 -5.338 -5.192 1.00 0.00 H new ATOM 881 N TRP A 60 -8.040 -6.708 -3.885 1.00 0.00 N ATOM 882 CA TRP A 60 -9.293 -6.952 -3.179 1.00 0.00 C ATOM 883 C TRP A 60 -9.031 -7.468 -1.768 1.00 0.00 C ATOM 884 O TRP A 60 -9.675 -7.037 -0.811 1.00 0.00 O ATOM 885 CB TRP A 60 -10.150 -7.956 -3.952 1.00 0.00 C ATOM 886 CG TRP A 60 -10.836 -7.358 -5.143 1.00 0.00 C ATOM 887 CD1 TRP A 60 -10.987 -6.030 -5.420 1.00 0.00 C ATOM 888 CD2 TRP A 60 -11.466 -8.069 -6.214 1.00 0.00 C ATOM 889 NE1 TRP A 60 -11.673 -5.871 -6.601 1.00 0.00 N ATOM 890 CE2 TRP A 60 -11.977 -7.107 -7.108 1.00 0.00 C ATOM 891 CE3 TRP A 60 -11.646 -9.423 -6.508 1.00 0.00 C ATOM 892 CZ2 TRP A 60 -12.656 -7.459 -8.271 1.00 0.00 C ATOM 893 CZ3 TRP A 60 -12.320 -9.770 -7.663 1.00 0.00 C ATOM 894 CH2 TRP A 60 -12.818 -8.792 -8.533 1.00 0.00 C ATOM 0 H TRP A 60 -7.957 -7.194 -4.778 1.00 0.00 H new ATOM 0 HA TRP A 60 -9.831 -6.007 -3.106 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.520 -8.783 -4.281 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -10.901 -8.374 -3.281 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -10.621 -5.223 -4.802 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -11.916 -4.978 -7.030 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -11.265 -10.185 -5.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -13.041 -6.706 -8.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -12.465 -10.814 -7.899 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -13.340 -9.096 -9.428 1.00 0.00 H new ATOM 905 N ASP A 61 -8.084 -8.391 -1.647 1.00 0.00 N ATOM 906 CA ASP A 61 -7.737 -8.964 -0.351 1.00 0.00 C ATOM 907 C ASP A 61 -7.520 -7.868 0.687 1.00 0.00 C ATOM 908 O ASP A 61 -8.254 -7.779 1.671 1.00 0.00 O ATOM 909 CB ASP A 61 -6.479 -9.826 -0.472 1.00 0.00 C ATOM 910 CG ASP A 61 -6.345 -10.817 0.667 1.00 0.00 C ATOM 911 OD1 ASP A 61 -7.209 -10.805 1.569 1.00 0.00 O ATOM 912 OD2 ASP A 61 -5.376 -11.605 0.658 1.00 0.00 O ATOM 0 H ASP A 61 -7.543 -8.759 -2.430 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.567 -9.590 -0.023 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.502 -10.366 -1.419 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.601 -9.181 -0.494 1.00 0.00 H new ATOM 917 N GLU A 62 -6.506 -7.038 0.462 1.00 0.00 N ATOM 918 CA GLU A 62 -6.192 -5.950 1.380 1.00 0.00 C ATOM 919 C GLU A 62 -7.325 -4.928 1.421 1.00 0.00 C ATOM 920 O GLU A 62 -7.739 -4.486 2.492 1.00 0.00 O ATOM 921 CB GLU A 62 -4.888 -5.264 0.967 1.00 0.00 C ATOM 922 CG GLU A 62 -3.676 -6.180 1.020 1.00 0.00 C ATOM 923 CD GLU A 62 -2.384 -5.456 0.695 1.00 0.00 C ATOM 924 OE1 GLU A 62 -2.182 -4.339 1.214 1.00 0.00 O ATOM 925 OE2 GLU A 62 -1.574 -6.008 -0.079 1.00 0.00 O ATOM 0 H GLU A 62 -5.889 -7.099 -0.348 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.071 -6.374 2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.996 -4.876 -0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.715 -4.408 1.619 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.601 -6.621 2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.815 -7.001 0.317 1.00 0.00 H new ATOM 932 N GLY A 63 -7.823 -4.558 0.245 1.00 0.00 N ATOM 933 CA GLY A 63 -8.903 -3.591 0.168 1.00 0.00 C ATOM 934 C GLY A 63 -10.063 -3.945 1.076 1.00 0.00 C ATOM 935 O GLY A 63 -10.381 -3.205 2.007 1.00 0.00 O ATOM 0 H GLY A 63 -7.498 -4.910 -0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.524 -2.605 0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.257 -3.527 -0.861 1.00 0.00 H new ATOM 939 N VAL A 64 -10.701 -5.079 0.804 1.00 0.00 N ATOM 940 CA VAL A 64 -11.834 -5.530 1.603 1.00 0.00 C ATOM 941 C VAL A 64 -11.419 -5.793 3.046 1.00 0.00 C ATOM 942 O VAL A 64 -12.198 -5.582 3.975 1.00 0.00 O ATOM 943 CB VAL A 64 -12.459 -6.811 1.018 1.00 0.00 C ATOM 944 CG1 VAL A 64 -11.516 -7.992 1.190 1.00 0.00 C ATOM 945 CG2 VAL A 64 -13.804 -7.093 1.672 1.00 0.00 C ATOM 0 H VAL A 64 -10.452 -5.702 0.036 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.575 -4.731 1.581 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.623 -6.660 -0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.974 -8.888 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.579 -7.788 0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.318 -8.148 2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.232 -8.001 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.666 -7.224 2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.479 -6.256 1.492 1.00 0.00 H new ATOM 955 N ALA A 65 -10.186 -6.255 3.226 1.00 0.00 N ATOM 956 CA ALA A 65 -9.666 -6.545 4.557 1.00 0.00 C ATOM 957 C ALA A 65 -9.732 -5.313 5.452 1.00 0.00 C ATOM 958 O ALA A 65 -10.015 -5.417 6.645 1.00 0.00 O ATOM 959 CB ALA A 65 -8.235 -7.056 4.464 1.00 0.00 C ATOM 0 H ALA A 65 -9.529 -6.436 2.467 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.289 -7.320 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.859 -7.269 5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.212 -7.967 3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.608 -6.298 3.994 1.00 0.00 H new ATOM 965 N GLN A 66 -9.469 -4.148 4.869 1.00 0.00 N ATOM 966 CA GLN A 66 -9.498 -2.896 5.616 1.00 0.00 C ATOM 967 C GLN A 66 -10.819 -2.165 5.403 1.00 0.00 C ATOM 968 O GLN A 66 -10.876 -0.937 5.457 1.00 0.00 O ATOM 969 CB GLN A 66 -8.332 -2.000 5.196 1.00 0.00 C ATOM 970 CG GLN A 66 -6.973 -2.670 5.320 1.00 0.00 C ATOM 971 CD GLN A 66 -5.887 -1.933 4.562 1.00 0.00 C ATOM 972 OE1 GLN A 66 -5.062 -1.237 5.156 1.00 0.00 O ATOM 973 NE2 GLN A 66 -5.881 -2.081 3.242 1.00 0.00 N ATOM 0 H GLN A 66 -9.233 -4.045 3.882 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.402 -3.132 6.676 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.480 -1.686 4.163 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.340 -1.098 5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.698 -2.732 6.373 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.041 -3.692 4.948 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.584 -2.667 2.791 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.174 -1.608 2.679 1.00 0.00 H new ATOM 982 N MET A 67 -11.879 -2.929 5.160 1.00 0.00 N ATOM 983 CA MET A 67 -13.201 -2.353 4.939 1.00 0.00 C ATOM 984 C MET A 67 -14.165 -2.763 6.048 1.00 0.00 C ATOM 985 O MET A 67 -13.937 -3.750 6.748 1.00 0.00 O ATOM 986 CB MET A 67 -13.752 -2.792 3.581 1.00 0.00 C ATOM 987 CG MET A 67 -13.086 -2.101 2.403 1.00 0.00 C ATOM 988 SD MET A 67 -13.965 -0.615 1.881 1.00 0.00 S ATOM 989 CE MET A 67 -15.544 -1.309 1.398 1.00 0.00 C ATOM 0 H MET A 67 -11.849 -3.947 5.111 1.00 0.00 H new ATOM 0 HA MET A 67 -13.103 -1.267 4.950 1.00 0.00 H new ATOM 0 HB2 MET A 67 -13.626 -3.870 3.478 1.00 0.00 H new ATOM 0 HB3 MET A 67 -14.823 -2.592 3.551 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.063 -1.838 2.672 1.00 0.00 H new ATOM 0 HG3 MET A 67 -13.026 -2.796 1.566 1.00 0.00 H new ATOM 0 HE1 MET A 67 -16.156 -0.534 0.935 1.00 0.00 H new ATOM 0 HE2 MET A 67 -15.383 -2.118 0.686 1.00 0.00 H new ATOM 0 HE3 MET A 67 -16.055 -1.697 2.279 1.00 0.00 H new ATOM 999 N SER A 68 -15.241 -1.998 6.203 1.00 0.00 N ATOM 1000 CA SER A 68 -16.237 -2.280 7.231 1.00 0.00 C ATOM 1001 C SER A 68 -17.611 -2.505 6.608 1.00 0.00 C ATOM 1002 O SER A 68 -17.955 -1.893 5.596 1.00 0.00 O ATOM 1003 CB SER A 68 -16.303 -1.129 8.236 1.00 0.00 C ATOM 1004 OG SER A 68 -16.357 0.124 7.575 1.00 0.00 O ATOM 0 H SER A 68 -15.445 -1.179 5.631 1.00 0.00 H new ATOM 0 HA SER A 68 -15.939 -3.190 7.751 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.181 -1.247 8.871 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.431 -1.162 8.889 1.00 0.00 H new ATOM 0 HG SER A 68 -15.478 0.330 7.193 1.00 0.00 H new ATOM 1010 N VAL A 69 -18.394 -3.389 7.220 1.00 0.00 N ATOM 1011 CA VAL A 69 -19.731 -3.695 6.727 1.00 0.00 C ATOM 1012 C VAL A 69 -20.545 -2.423 6.517 1.00 0.00 C ATOM 1013 O VAL A 69 -20.679 -1.603 7.424 1.00 0.00 O ATOM 1014 CB VAL A 69 -20.488 -4.621 7.698 1.00 0.00 C ATOM 1015 CG1 VAL A 69 -21.904 -4.872 7.202 1.00 0.00 C ATOM 1016 CG2 VAL A 69 -19.737 -5.932 7.877 1.00 0.00 C ATOM 0 H VAL A 69 -18.125 -3.905 8.058 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.607 -4.205 5.772 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.551 -4.129 8.668 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.423 -5.528 7.901 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -22.437 -3.924 7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -21.867 -5.344 6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -20.285 -6.574 8.566 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -19.642 -6.431 6.913 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -18.745 -5.731 8.281 1.00 0.00 H new ATOM 1026 N GLY A 70 -21.087 -2.265 5.313 1.00 0.00 N ATOM 1027 CA GLY A 70 -21.881 -1.090 5.006 1.00 0.00 C ATOM 1028 C GLY A 70 -21.027 0.110 4.648 1.00 0.00 C ATOM 1029 O GLY A 70 -21.518 1.237 4.603 1.00 0.00 O ATOM 0 H GLY A 70 -20.990 -2.930 4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -22.552 -1.315 4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -22.507 -0.844 5.864 1.00 0.00 H new ATOM 1033 N GLN A 71 -19.745 -0.133 4.394 1.00 0.00 N ATOM 1034 CA GLN A 71 -18.821 0.938 4.041 1.00 0.00 C ATOM 1035 C GLN A 71 -18.402 0.836 2.578 1.00 0.00 C ATOM 1036 O GLN A 71 -18.152 -0.257 2.069 1.00 0.00 O ATOM 1037 CB GLN A 71 -17.585 0.892 4.942 1.00 0.00 C ATOM 1038 CG GLN A 71 -16.899 2.239 5.103 1.00 0.00 C ATOM 1039 CD GLN A 71 -15.387 2.131 5.073 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -14.747 1.922 6.104 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -14.807 2.273 3.887 1.00 0.00 N ATOM 0 H GLN A 71 -19.323 -1.061 4.426 1.00 0.00 H new ATOM 0 HA GLN A 71 -19.334 1.889 4.188 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.876 0.522 5.925 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.872 0.177 4.531 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -17.228 2.907 4.307 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -17.209 2.690 6.046 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.376 2.445 3.058 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.792 2.210 3.805 1.00 0.00 H new ATOM 1050 N ARG A 72 -18.328 1.980 1.907 1.00 0.00 N ATOM 1051 CA ARG A 72 -17.942 2.019 0.502 1.00 0.00 C ATOM 1052 C ARG A 72 -16.706 2.891 0.302 1.00 0.00 C ATOM 1053 O ARG A 72 -16.636 4.011 0.807 1.00 0.00 O ATOM 1054 CB ARG A 72 -19.096 2.547 -0.352 1.00 0.00 C ATOM 1055 CG ARG A 72 -18.749 2.684 -1.826 1.00 0.00 C ATOM 1056 CD ARG A 72 -19.108 4.063 -2.357 1.00 0.00 C ATOM 1057 NE ARG A 72 -19.417 4.037 -3.784 1.00 0.00 N ATOM 1058 CZ ARG A 72 -20.508 3.473 -4.290 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -21.390 2.892 -3.488 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -20.719 3.490 -5.599 1.00 0.00 N ATOM 0 H ARG A 72 -18.530 2.893 2.314 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.703 1.003 0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -19.949 1.877 -0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -19.406 3.519 0.032 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.683 2.504 -1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -19.280 1.923 -2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -19.966 4.451 -1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.279 4.747 -2.178 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.759 4.476 -4.428 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -21.231 2.878 -2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -22.227 2.460 -3.879 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -20.043 3.937 -6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -21.557 3.056 -5.986 1.00 0.00 H new ATOM 1074 N ALA A 73 -15.733 2.370 -0.438 1.00 0.00 N ATOM 1075 CA ALA A 73 -14.501 3.101 -0.706 1.00 0.00 C ATOM 1076 C ALA A 73 -13.886 2.672 -2.033 1.00 0.00 C ATOM 1077 O ALA A 73 -14.249 1.638 -2.593 1.00 0.00 O ATOM 1078 CB ALA A 73 -13.508 2.896 0.429 1.00 0.00 C ATOM 0 H ALA A 73 -15.774 1.444 -0.863 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.744 4.161 -0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.592 3.448 0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.941 3.259 1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.278 1.835 0.524 1.00 0.00 H new ATOM 1084 N LYS A 74 -12.952 3.475 -2.534 1.00 0.00 N ATOM 1085 CA LYS A 74 -12.285 3.179 -3.796 1.00 0.00 C ATOM 1086 C LYS A 74 -10.984 2.419 -3.559 1.00 0.00 C ATOM 1087 O LYS A 74 -10.199 2.771 -2.677 1.00 0.00 O ATOM 1088 CB LYS A 74 -12.000 4.473 -4.562 1.00 0.00 C ATOM 1089 CG LYS A 74 -10.734 5.180 -4.111 1.00 0.00 C ATOM 1090 CD LYS A 74 -10.728 6.638 -4.538 1.00 0.00 C ATOM 1091 CE LYS A 74 -9.313 7.141 -4.786 1.00 0.00 C ATOM 1092 NZ LYS A 74 -9.032 7.311 -6.238 1.00 0.00 N ATOM 0 H LYS A 74 -12.640 4.336 -2.084 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.949 2.551 -4.390 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.920 4.246 -5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.846 5.150 -4.443 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.648 5.117 -3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.864 4.674 -4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.321 6.755 -5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.201 7.246 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.171 8.093 -4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.598 6.439 -4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.023 7.135 -6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.605 6.636 -6.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.271 8.281 -6.527 1.00 0.00 H new ATOM 1106 N LEU A 75 -10.759 1.378 -4.352 1.00 0.00 N ATOM 1107 CA LEU A 75 -9.551 0.569 -4.230 1.00 0.00 C ATOM 1108 C LEU A 75 -8.634 0.774 -5.431 1.00 0.00 C ATOM 1109 O LEU A 75 -8.804 0.137 -6.471 1.00 0.00 O ATOM 1110 CB LEU A 75 -9.915 -0.911 -4.098 1.00 0.00 C ATOM 1111 CG LEU A 75 -8.808 -1.831 -3.584 1.00 0.00 C ATOM 1112 CD1 LEU A 75 -8.420 -1.457 -2.162 1.00 0.00 C ATOM 1113 CD2 LEU A 75 -9.249 -3.286 -3.652 1.00 0.00 C ATOM 0 H LEU A 75 -11.397 1.074 -5.087 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.020 0.887 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.771 -0.996 -3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.237 -1.274 -5.074 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.933 -1.706 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.631 -2.123 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.062 -0.428 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.289 -1.552 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.448 -3.927 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.139 -3.426 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.476 -3.549 -4.685 1.00 0.00 H new ATOM 1125 N VAL A 76 -7.660 1.666 -5.281 1.00 0.00 N ATOM 1126 CA VAL A 76 -6.714 1.953 -6.353 1.00 0.00 C ATOM 1127 C VAL A 76 -5.405 1.199 -6.146 1.00 0.00 C ATOM 1128 O VAL A 76 -4.560 1.609 -5.348 1.00 0.00 O ATOM 1129 CB VAL A 76 -6.416 3.461 -6.450 1.00 0.00 C ATOM 1130 CG1 VAL A 76 -6.045 4.021 -5.085 1.00 0.00 C ATOM 1131 CG2 VAL A 76 -5.309 3.721 -7.460 1.00 0.00 C ATOM 0 H VAL A 76 -7.505 2.202 -4.427 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.178 1.622 -7.282 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.317 3.970 -6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.838 5.087 -5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.872 3.868 -4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.159 3.509 -4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.111 4.791 -7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.403 3.201 -7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.618 3.358 -8.440 1.00 0.00 H new ATOM 1141 N CYS A 77 -5.243 0.097 -6.868 1.00 0.00 N ATOM 1142 CA CYS A 77 -4.036 -0.715 -6.764 1.00 0.00 C ATOM 1143 C CYS A 77 -3.419 -0.952 -8.139 1.00 0.00 C ATOM 1144 O CYS A 77 -4.070 -0.755 -9.165 1.00 0.00 O ATOM 1145 CB CYS A 77 -4.353 -2.054 -6.097 1.00 0.00 C ATOM 1146 SG CYS A 77 -5.641 -3.009 -6.933 1.00 0.00 S ATOM 0 H CYS A 77 -5.932 -0.255 -7.532 1.00 0.00 H new ATOM 0 HA CYS A 77 -3.316 -0.173 -6.151 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.442 -2.651 -6.055 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.662 -1.871 -5.068 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.315 -4.267 -6.937 1.00 0.00 H new ATOM 1152 N SER A 78 -2.159 -1.374 -8.152 1.00 0.00 N ATOM 1153 CA SER A 78 -1.452 -1.632 -9.401 1.00 0.00 C ATOM 1154 C SER A 78 -1.871 -2.974 -9.995 1.00 0.00 C ATOM 1155 O SER A 78 -2.509 -3.799 -9.341 1.00 0.00 O ATOM 1156 CB SER A 78 0.060 -1.615 -9.169 1.00 0.00 C ATOM 1157 OG SER A 78 0.364 -1.393 -7.802 1.00 0.00 O ATOM 0 H SER A 78 -1.607 -1.545 -7.312 1.00 0.00 H new ATOM 0 HA SER A 78 -1.713 -0.844 -10.107 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.491 -2.563 -9.491 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.516 -0.834 -9.778 1.00 0.00 H new ATOM 0 HG SER A 78 1.336 -1.388 -7.680 1.00 0.00 H new ATOM 1163 N PRO A 79 -1.505 -3.197 -11.266 1.00 0.00 N ATOM 1164 CA PRO A 79 -1.831 -4.437 -11.978 1.00 0.00 C ATOM 1165 C PRO A 79 -1.056 -5.635 -11.440 1.00 0.00 C ATOM 1166 O PRO A 79 -1.494 -6.778 -11.571 1.00 0.00 O ATOM 1167 CB PRO A 79 -1.419 -4.136 -13.421 1.00 0.00 C ATOM 1168 CG PRO A 79 -0.369 -3.086 -13.303 1.00 0.00 C ATOM 1169 CD PRO A 79 -0.743 -2.258 -12.106 1.00 0.00 C ATOM 0 HA PRO A 79 -2.881 -4.707 -11.868 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -1.034 -5.027 -13.917 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.266 -3.784 -14.010 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.617 -3.533 -13.175 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.327 -2.473 -14.203 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.138 -1.880 -11.588 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.343 -1.393 -12.388 1.00 0.00 H new ATOM 1177 N ASP A 80 0.095 -5.366 -10.836 1.00 0.00 N ATOM 1178 CA ASP A 80 0.931 -6.422 -10.277 1.00 0.00 C ATOM 1179 C ASP A 80 0.194 -7.168 -9.168 1.00 0.00 C ATOM 1180 O ASP A 80 0.446 -8.349 -8.927 1.00 0.00 O ATOM 1181 CB ASP A 80 2.236 -5.837 -9.735 1.00 0.00 C ATOM 1182 CG ASP A 80 3.260 -5.598 -10.827 1.00 0.00 C ATOM 1183 OD1 ASP A 80 3.444 -6.496 -11.676 1.00 0.00 O ATOM 1184 OD2 ASP A 80 3.876 -4.512 -10.834 1.00 0.00 O ATOM 0 H ASP A 80 0.471 -4.425 -10.721 1.00 0.00 H new ATOM 0 HA ASP A 80 1.163 -7.128 -11.074 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.026 -4.896 -9.226 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.654 -6.515 -8.991 1.00 0.00 H new ATOM 1189 N TYR A 81 -0.714 -6.470 -8.495 1.00 0.00 N ATOM 1190 CA TYR A 81 -1.484 -7.065 -7.409 1.00 0.00 C ATOM 1191 C TYR A 81 -2.914 -7.361 -7.854 1.00 0.00 C ATOM 1192 O TYR A 81 -3.793 -7.610 -7.030 1.00 0.00 O ATOM 1193 CB TYR A 81 -1.498 -6.133 -6.196 1.00 0.00 C ATOM 1194 CG TYR A 81 -0.343 -6.358 -5.247 1.00 0.00 C ATOM 1195 CD1 TYR A 81 0.932 -6.630 -5.725 1.00 0.00 C ATOM 1196 CD2 TYR A 81 -0.528 -6.297 -3.871 1.00 0.00 C ATOM 1197 CE1 TYR A 81 1.990 -6.837 -4.861 1.00 0.00 C ATOM 1198 CE2 TYR A 81 0.524 -6.501 -2.999 1.00 0.00 C ATOM 1199 CZ TYR A 81 1.781 -6.771 -3.499 1.00 0.00 C ATOM 1200 OH TYR A 81 2.833 -6.975 -2.635 1.00 0.00 O ATOM 0 H TYR A 81 -0.935 -5.492 -8.682 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.007 -8.005 -7.131 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.477 -5.100 -6.542 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.434 -6.269 -5.655 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.100 -6.681 -6.791 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.511 -6.086 -3.477 1.00 0.00 H new ATOM 0 HE1 TYR A 81 2.975 -7.049 -5.250 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.363 -6.449 -1.932 1.00 0.00 H new ATOM 0 HH TYR A 81 2.518 -6.893 -1.711 1.00 0.00 H new ATOM 1210 N ALA A 82 -3.137 -7.332 -9.164 1.00 0.00 N ATOM 1211 CA ALA A 82 -4.458 -7.599 -9.719 1.00 0.00 C ATOM 1212 C ALA A 82 -4.353 -8.254 -11.093 1.00 0.00 C ATOM 1213 O ALA A 82 -3.285 -8.721 -11.489 1.00 0.00 O ATOM 1214 CB ALA A 82 -5.264 -6.312 -9.806 1.00 0.00 C ATOM 0 H ALA A 82 -2.420 -7.126 -9.860 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.972 -8.292 -9.053 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.248 -6.527 -10.222 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.377 -5.885 -8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.745 -5.601 -10.449 1.00 0.00 H new ATOM 1220 N TYR A 83 -5.468 -8.285 -11.814 1.00 0.00 N ATOM 1221 CA TYR A 83 -5.502 -8.885 -13.143 1.00 0.00 C ATOM 1222 C TYR A 83 -5.228 -7.840 -14.220 1.00 0.00 C ATOM 1223 O TYR A 83 -5.504 -8.060 -15.399 1.00 0.00 O ATOM 1224 CB TYR A 83 -6.858 -9.547 -13.391 1.00 0.00 C ATOM 1225 CG TYR A 83 -8.033 -8.706 -12.947 1.00 0.00 C ATOM 1226 CD1 TYR A 83 -8.270 -7.457 -13.508 1.00 0.00 C ATOM 1227 CD2 TYR A 83 -8.907 -9.161 -11.967 1.00 0.00 C ATOM 1228 CE1 TYR A 83 -9.342 -6.685 -13.104 1.00 0.00 C ATOM 1229 CE2 TYR A 83 -9.982 -8.396 -11.558 1.00 0.00 C ATOM 1230 CZ TYR A 83 -10.196 -7.159 -12.129 1.00 0.00 C ATOM 1231 OH TYR A 83 -11.265 -6.393 -11.725 1.00 0.00 O ATOM 0 H TYR A 83 -6.360 -7.902 -11.501 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.721 -9.643 -13.192 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.958 -9.763 -14.455 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.887 -10.503 -12.867 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.605 -7.084 -14.273 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.743 -10.129 -11.518 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.511 -5.715 -13.549 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.651 -8.765 -10.795 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.083 -5.450 -11.919 1.00 0.00 H new ATOM 1241 N GLY A 84 -4.682 -6.701 -13.806 1.00 0.00 N ATOM 1242 CA GLY A 84 -4.379 -5.638 -14.746 1.00 0.00 C ATOM 1243 C GLY A 84 -3.248 -6.002 -15.688 1.00 0.00 C ATOM 1244 O GLY A 84 -3.140 -5.448 -16.782 1.00 0.00 O ATOM 0 H GLY A 84 -4.444 -6.495 -12.836 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.271 -5.406 -15.327 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.113 -4.735 -14.196 1.00 0.00 H new ATOM 1248 N SER A 85 -2.403 -6.935 -15.262 1.00 0.00 N ATOM 1249 CA SER A 85 -1.271 -7.368 -16.072 1.00 0.00 C ATOM 1250 C SER A 85 -1.723 -7.745 -17.480 1.00 0.00 C ATOM 1251 O SER A 85 -1.448 -7.031 -18.444 1.00 0.00 O ATOM 1252 CB SER A 85 -0.570 -8.558 -15.413 1.00 0.00 C ATOM 1253 OG SER A 85 -1.505 -9.554 -15.035 1.00 0.00 O ATOM 0 H SER A 85 -2.481 -7.406 -14.360 1.00 0.00 H new ATOM 0 HA SER A 85 -0.569 -6.537 -16.145 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.159 -8.982 -16.103 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.019 -8.220 -14.535 1.00 0.00 H new ATOM 0 HG SER A 85 -1.033 -10.305 -14.618 1.00 0.00 H new ATOM 1259 N ARG A 86 -2.418 -8.873 -17.589 1.00 0.00 N ATOM 1260 CA ARG A 86 -2.908 -9.346 -18.878 1.00 0.00 C ATOM 1261 C ARG A 86 -3.974 -8.407 -19.433 1.00 0.00 C ATOM 1262 O ARG A 86 -3.932 -8.024 -20.601 1.00 0.00 O ATOM 1263 CB ARG A 86 -3.478 -10.759 -18.742 1.00 0.00 C ATOM 1264 CG ARG A 86 -4.514 -10.895 -17.638 1.00 0.00 C ATOM 1265 CD ARG A 86 -5.928 -10.884 -18.196 1.00 0.00 C ATOM 1266 NE ARG A 86 -6.531 -12.215 -18.187 1.00 0.00 N ATOM 1267 CZ ARG A 86 -7.000 -12.801 -17.091 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -6.938 -12.177 -15.923 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -7.534 -14.013 -17.163 1.00 0.00 N ATOM 0 H ARG A 86 -2.654 -9.476 -16.801 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.069 -9.365 -19.573 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.929 -11.052 -19.690 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.661 -11.454 -18.549 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.345 -11.823 -17.091 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.397 -10.079 -16.925 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.544 -10.203 -17.609 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.912 -10.500 -19.216 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.595 -12.721 -19.070 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.529 -11.244 -15.864 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.299 -12.630 -15.083 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.585 -14.496 -18.060 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.894 -14.463 -16.321 1.00 0.00 H new ATOM 1283 N GLY A 87 -4.931 -8.040 -18.586 1.00 0.00 N ATOM 1284 CA GLY A 87 -5.996 -7.149 -19.010 1.00 0.00 C ATOM 1285 C GLY A 87 -6.739 -7.671 -20.223 1.00 0.00 C ATOM 1286 O GLY A 87 -6.585 -8.832 -20.604 1.00 0.00 O ATOM 0 H GLY A 87 -4.988 -8.344 -17.614 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.699 -7.011 -18.189 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.577 -6.169 -19.238 1.00 0.00 H new ATOM 1290 N HIS A 88 -7.551 -6.812 -20.832 1.00 0.00 N ATOM 1291 CA HIS A 88 -8.323 -7.194 -22.009 1.00 0.00 C ATOM 1292 C HIS A 88 -8.576 -5.987 -22.908 1.00 0.00 C ATOM 1293 O HIS A 88 -8.555 -4.838 -22.466 1.00 0.00 O ATOM 1294 CB HIS A 88 -9.654 -7.821 -21.591 1.00 0.00 C ATOM 1295 CG HIS A 88 -9.588 -9.307 -21.421 1.00 0.00 C ATOM 1296 ND1 HIS A 88 -8.910 -10.135 -22.291 1.00 0.00 N ATOM 1297 CD2 HIS A 88 -10.119 -10.114 -20.473 1.00 0.00 C ATOM 1298 CE1 HIS A 88 -9.029 -11.387 -21.886 1.00 0.00 C ATOM 1299 NE2 HIS A 88 -9.757 -11.402 -20.785 1.00 0.00 N ATOM 0 H HIS A 88 -7.691 -5.848 -20.530 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.744 -7.928 -22.570 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.980 -7.370 -20.654 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -10.410 -7.582 -22.339 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -10.716 -9.803 -19.628 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -8.603 -12.252 -22.373 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -10.010 -12.234 -20.253 1.00 0.00 H new ATOM 1307 N PRO A 89 -8.821 -6.251 -24.200 1.00 0.00 N ATOM 1308 CA PRO A 89 -9.082 -5.200 -25.187 1.00 0.00 C ATOM 1309 C PRO A 89 -10.430 -4.522 -24.970 1.00 0.00 C ATOM 1310 O PRO A 89 -11.479 -5.154 -25.082 1.00 0.00 O ATOM 1311 CB PRO A 89 -9.071 -5.953 -26.520 1.00 0.00 C ATOM 1312 CG PRO A 89 -9.435 -7.354 -26.165 1.00 0.00 C ATOM 1313 CD PRO A 89 -8.862 -7.597 -24.796 1.00 0.00 C ATOM 0 HA PRO A 89 -8.347 -4.397 -25.130 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.785 -5.524 -27.223 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.090 -5.906 -26.993 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.517 -7.488 -26.165 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -9.027 -8.059 -26.890 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -9.486 -8.275 -24.214 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.869 -8.043 -24.849 1.00 0.00 H new ATOM 1321 N GLY A 90 -10.395 -3.230 -24.657 1.00 0.00 N ATOM 1322 CA GLY A 90 -11.621 -2.488 -24.429 1.00 0.00 C ATOM 1323 C GLY A 90 -12.184 -2.711 -23.039 1.00 0.00 C ATOM 1324 O GLY A 90 -13.300 -2.289 -22.738 1.00 0.00 O ATOM 0 H GLY A 90 -9.539 -2.684 -24.557 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.431 -1.425 -24.574 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.364 -2.783 -25.170 1.00 0.00 H new ATOM 1328 N VAL A 91 -11.410 -3.380 -22.190 1.00 0.00 N ATOM 1329 CA VAL A 91 -11.838 -3.660 -20.824 1.00 0.00 C ATOM 1330 C VAL A 91 -10.764 -3.262 -19.819 1.00 0.00 C ATOM 1331 O VAL A 91 -11.001 -2.439 -18.934 1.00 0.00 O ATOM 1332 CB VAL A 91 -12.175 -5.151 -20.636 1.00 0.00 C ATOM 1333 CG1 VAL A 91 -12.768 -5.395 -19.257 1.00 0.00 C ATOM 1334 CG2 VAL A 91 -13.125 -5.624 -21.726 1.00 0.00 C ATOM 0 H VAL A 91 -10.484 -3.738 -22.424 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.735 -3.067 -20.646 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.253 -5.727 -20.715 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -13.000 -6.454 -19.143 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.049 -5.096 -18.494 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.681 -4.810 -19.145 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.352 -6.680 -21.578 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.047 -5.044 -21.682 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.657 -5.487 -22.701 1.00 0.00 H new ATOM 1344 N ILE A 92 -9.581 -3.851 -19.961 1.00 0.00 N ATOM 1345 CA ILE A 92 -8.469 -3.556 -19.066 1.00 0.00 C ATOM 1346 C ILE A 92 -7.182 -3.315 -19.848 1.00 0.00 C ATOM 1347 O ILE A 92 -6.835 -4.061 -20.764 1.00 0.00 O ATOM 1348 CB ILE A 92 -8.238 -4.699 -18.060 1.00 0.00 C ATOM 1349 CG1 ILE A 92 -9.494 -4.926 -17.215 1.00 0.00 C ATOM 1350 CG2 ILE A 92 -7.043 -4.389 -17.171 1.00 0.00 C ATOM 1351 CD1 ILE A 92 -9.363 -6.069 -16.233 1.00 0.00 C ATOM 0 H ILE A 92 -9.368 -4.535 -20.687 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.735 -2.650 -18.521 1.00 0.00 H new ATOM 0 HB ILE A 92 -8.026 -5.613 -18.614 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.724 -4.012 -16.668 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.337 -5.122 -17.877 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.893 -5.206 -16.465 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.151 -4.273 -17.787 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.228 -3.465 -16.622 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.290 -6.172 -15.669 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.164 -6.993 -16.775 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.541 -5.867 -15.547 1.00 0.00 H new ATOM 1363 N PRO A 93 -6.456 -2.250 -19.479 1.00 0.00 N ATOM 1364 CA PRO A 93 -5.195 -1.887 -20.132 1.00 0.00 C ATOM 1365 C PRO A 93 -4.077 -2.878 -19.825 1.00 0.00 C ATOM 1366 O PRO A 93 -4.132 -3.631 -18.852 1.00 0.00 O ATOM 1367 CB PRO A 93 -4.870 -0.514 -19.538 1.00 0.00 C ATOM 1368 CG PRO A 93 -5.561 -0.500 -18.218 1.00 0.00 C ATOM 1369 CD PRO A 93 -6.810 -1.318 -18.395 1.00 0.00 C ATOM 0 HA PRO A 93 -5.284 -1.886 -21.218 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.795 -0.376 -19.424 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.228 0.290 -20.181 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.925 -0.923 -17.440 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.802 0.519 -17.914 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.076 -1.848 -17.480 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.664 -0.695 -18.663 1.00 0.00 H new ATOM 1377 N PRO A 94 -3.038 -2.881 -20.673 1.00 0.00 N ATOM 1378 CA PRO A 94 -1.887 -3.774 -20.512 1.00 0.00 C ATOM 1379 C PRO A 94 -1.029 -3.403 -19.307 1.00 0.00 C ATOM 1380 O PRO A 94 -0.240 -2.461 -19.362 1.00 0.00 O ATOM 1381 CB PRO A 94 -1.100 -3.576 -21.810 1.00 0.00 C ATOM 1382 CG PRO A 94 -1.478 -2.213 -22.278 1.00 0.00 C ATOM 1383 CD PRO A 94 -2.906 -2.011 -21.854 1.00 0.00 C ATOM 0 HA PRO A 94 -2.193 -4.805 -20.336 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.026 -3.652 -21.637 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.358 -4.334 -22.549 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.829 -1.455 -21.838 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.377 -2.130 -23.360 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.109 -0.968 -21.610 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.603 -2.295 -22.642 1.00 0.00 H new ATOM 1391 N ASN A 95 -1.189 -4.150 -18.220 1.00 0.00 N ATOM 1392 CA ASN A 95 -0.429 -3.899 -17.001 1.00 0.00 C ATOM 1393 C ASN A 95 -0.492 -2.425 -16.615 1.00 0.00 C ATOM 1394 O ASN A 95 0.525 -1.731 -16.607 1.00 0.00 O ATOM 1395 CB ASN A 95 1.028 -4.328 -17.187 1.00 0.00 C ATOM 1396 CG ASN A 95 1.161 -5.559 -18.062 1.00 0.00 C ATOM 1397 OD1 ASN A 95 1.217 -6.684 -17.565 1.00 0.00 O ATOM 1398 ND2 ASN A 95 1.214 -5.351 -19.372 1.00 0.00 N ATOM 0 H ASN A 95 -1.838 -4.934 -18.158 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.874 -4.486 -16.197 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.592 -3.507 -17.631 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.472 -4.529 -16.212 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.305 -6.141 -20.011 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.164 -4.401 -19.740 1.00 0.00 H new ATOM 1405 N ALA A 96 -1.692 -1.953 -16.294 1.00 0.00 N ATOM 1406 CA ALA A 96 -1.887 -0.562 -15.904 1.00 0.00 C ATOM 1407 C ALA A 96 -2.679 -0.463 -14.604 1.00 0.00 C ATOM 1408 O ALA A 96 -3.583 -1.260 -14.352 1.00 0.00 O ATOM 1409 CB ALA A 96 -2.593 0.203 -17.014 1.00 0.00 C ATOM 0 H ALA A 96 -2.544 -2.514 -16.296 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.907 -0.116 -15.737 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.732 1.240 -16.709 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.989 0.169 -17.921 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.564 -0.252 -17.208 1.00 0.00 H new ATOM 1415 N THR A 97 -2.333 0.522 -13.780 1.00 0.00 N ATOM 1416 CA THR A 97 -3.010 0.724 -12.506 1.00 0.00 C ATOM 1417 C THR A 97 -4.515 0.869 -12.699 1.00 0.00 C ATOM 1418 O THR A 97 -4.971 1.485 -13.663 1.00 0.00 O ATOM 1419 CB THR A 97 -2.475 1.972 -11.778 1.00 0.00 C ATOM 1420 OG1 THR A 97 -1.043 1.986 -11.816 1.00 0.00 O ATOM 1421 CG2 THR A 97 -2.948 2.000 -10.332 1.00 0.00 C ATOM 0 H THR A 97 -1.588 1.192 -13.973 1.00 0.00 H new ATOM 0 HA THR A 97 -2.808 -0.158 -11.898 1.00 0.00 H new ATOM 0 HB THR A 97 -2.861 2.855 -12.288 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.711 2.783 -11.353 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.558 2.890 -9.839 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.038 2.019 -10.306 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.588 1.111 -9.814 1.00 0.00 H new ATOM 1429 N LEU A 98 -5.282 0.299 -11.777 1.00 0.00 N ATOM 1430 CA LEU A 98 -6.738 0.366 -11.845 1.00 0.00 C ATOM 1431 C LEU A 98 -7.333 0.697 -10.481 1.00 0.00 C ATOM 1432 O LEU A 98 -6.735 0.409 -9.443 1.00 0.00 O ATOM 1433 CB LEU A 98 -7.305 -0.961 -12.353 1.00 0.00 C ATOM 1434 CG LEU A 98 -6.902 -1.364 -13.773 1.00 0.00 C ATOM 1435 CD1 LEU A 98 -7.234 -2.826 -14.027 1.00 0.00 C ATOM 1436 CD2 LEU A 98 -7.592 -0.473 -14.796 1.00 0.00 C ATOM 0 H LEU A 98 -4.921 -0.215 -10.973 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.008 1.161 -12.540 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.993 -1.751 -11.670 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.393 -0.910 -12.306 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.825 -1.234 -13.875 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.940 -3.095 -15.042 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.694 -3.451 -13.316 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.306 -2.982 -13.906 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.294 -0.774 -15.800 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.673 -0.571 -14.694 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.304 0.565 -14.628 1.00 0.00 H new ATOM 1448 N THR A 99 -8.517 1.303 -10.488 1.00 0.00 N ATOM 1449 CA THR A 99 -9.194 1.672 -9.251 1.00 0.00 C ATOM 1450 C THR A 99 -10.623 1.143 -9.228 1.00 0.00 C ATOM 1451 O THR A 99 -11.515 1.708 -9.862 1.00 0.00 O ATOM 1452 CB THR A 99 -9.220 3.200 -9.060 1.00 0.00 C ATOM 1453 OG1 THR A 99 -7.893 3.729 -9.152 1.00 0.00 O ATOM 1454 CG2 THR A 99 -9.826 3.567 -7.714 1.00 0.00 C ATOM 0 H THR A 99 -9.026 1.548 -11.337 1.00 0.00 H new ATOM 0 HA THR A 99 -8.630 1.221 -8.435 1.00 0.00 H new ATOM 0 HB THR A 99 -9.837 3.631 -9.848 1.00 0.00 H new ATOM 0 HG1 THR A 99 -7.919 4.701 -9.031 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.834 4.651 -7.602 1.00 0.00 H new ATOM 0 HG22 THR A 99 -10.847 3.189 -7.660 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.232 3.124 -6.915 1.00 0.00 H new ATOM 1462 N PHE A 100 -10.835 0.057 -8.493 1.00 0.00 N ATOM 1463 CA PHE A 100 -12.158 -0.548 -8.387 1.00 0.00 C ATOM 1464 C PHE A 100 -12.820 -0.182 -7.062 1.00 0.00 C ATOM 1465 O PHE A 100 -12.258 -0.413 -5.991 1.00 0.00 O ATOM 1466 CB PHE A 100 -12.058 -2.070 -8.516 1.00 0.00 C ATOM 1467 CG PHE A 100 -11.451 -2.522 -9.814 1.00 0.00 C ATOM 1468 CD1 PHE A 100 -10.076 -2.577 -9.969 1.00 0.00 C ATOM 1469 CD2 PHE A 100 -12.257 -2.893 -10.878 1.00 0.00 C ATOM 1470 CE1 PHE A 100 -9.514 -2.993 -11.162 1.00 0.00 C ATOM 1471 CE2 PHE A 100 -11.702 -3.310 -12.073 1.00 0.00 C ATOM 1472 CZ PHE A 100 -10.329 -3.359 -12.215 1.00 0.00 C ATOM 0 H PHE A 100 -10.108 -0.422 -7.962 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.773 -0.160 -9.199 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.462 -2.458 -7.690 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -13.054 -2.501 -8.420 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.435 -2.292 -9.148 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -13.331 -2.856 -10.772 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.440 -3.032 -11.270 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -12.341 -3.597 -12.895 1.00 0.00 H new ATOM 0 HZ PHE A 100 -9.893 -3.683 -13.149 1.00 0.00 H new ATOM 1482 N ASP A 101 -14.015 0.391 -7.143 1.00 0.00 N ATOM 1483 CA ASP A 101 -14.754 0.790 -5.951 1.00 0.00 C ATOM 1484 C ASP A 101 -15.396 -0.420 -5.279 1.00 0.00 C ATOM 1485 O ASP A 101 -16.239 -1.096 -5.869 1.00 0.00 O ATOM 1486 CB ASP A 101 -15.828 1.818 -6.311 1.00 0.00 C ATOM 1487 CG ASP A 101 -16.970 1.835 -5.314 1.00 0.00 C ATOM 1488 OD1 ASP A 101 -16.846 2.526 -4.282 1.00 0.00 O ATOM 1489 OD2 ASP A 101 -17.989 1.157 -5.566 1.00 0.00 O ATOM 0 H ASP A 101 -14.493 0.590 -8.022 1.00 0.00 H new ATOM 0 HA ASP A 101 -14.050 1.241 -5.251 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -15.377 2.809 -6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -16.220 1.598 -7.304 1.00 0.00 H new ATOM 1494 N VAL A 102 -14.990 -0.689 -4.042 1.00 0.00 N ATOM 1495 CA VAL A 102 -15.525 -1.817 -3.290 1.00 0.00 C ATOM 1496 C VAL A 102 -16.331 -1.343 -2.087 1.00 0.00 C ATOM 1497 O VAL A 102 -15.903 -0.453 -1.353 1.00 0.00 O ATOM 1498 CB VAL A 102 -14.401 -2.752 -2.806 1.00 0.00 C ATOM 1499 CG1 VAL A 102 -14.028 -3.748 -3.893 1.00 0.00 C ATOM 1500 CG2 VAL A 102 -13.187 -1.944 -2.372 1.00 0.00 C ATOM 0 H VAL A 102 -14.292 -0.141 -3.540 1.00 0.00 H new ATOM 0 HA VAL A 102 -16.179 -2.367 -3.967 1.00 0.00 H new ATOM 0 HB VAL A 102 -14.764 -3.312 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.232 -4.400 -3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -14.900 -4.349 -4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -13.684 -3.210 -4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.402 -2.620 -2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -12.821 -1.356 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.467 -1.276 -1.558 1.00 0.00 H new ATOM 1510 N GLU A 103 -17.500 -1.945 -1.890 1.00 0.00 N ATOM 1511 CA GLU A 103 -18.367 -1.583 -0.774 1.00 0.00 C ATOM 1512 C GLU A 103 -18.817 -2.825 -0.010 1.00 0.00 C ATOM 1513 O GLU A 103 -19.420 -3.735 -0.581 1.00 0.00 O ATOM 1514 CB GLU A 103 -19.587 -0.810 -1.277 1.00 0.00 C ATOM 1515 CG GLU A 103 -20.531 -1.647 -2.125 1.00 0.00 C ATOM 1516 CD GLU A 103 -21.574 -0.808 -2.838 1.00 0.00 C ATOM 1517 OE1 GLU A 103 -22.608 -0.492 -2.213 1.00 0.00 O ATOM 1518 OE2 GLU A 103 -21.356 -0.468 -4.020 1.00 0.00 O ATOM 0 H GLU A 103 -17.868 -2.685 -2.488 1.00 0.00 H new ATOM 0 HA GLU A 103 -17.798 -0.947 -0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -20.134 -0.415 -0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -19.249 0.046 -1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.953 -2.205 -2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -21.031 -2.379 -1.491 1.00 0.00 H new ATOM 1525 N LEU A 104 -18.520 -2.856 1.284 1.00 0.00 N ATOM 1526 CA LEU A 104 -18.893 -3.985 2.128 1.00 0.00 C ATOM 1527 C LEU A 104 -20.407 -4.070 2.287 1.00 0.00 C ATOM 1528 O LEU A 104 -21.069 -3.072 2.577 1.00 0.00 O ATOM 1529 CB LEU A 104 -18.231 -3.862 3.502 1.00 0.00 C ATOM 1530 CG LEU A 104 -17.849 -5.176 4.184 1.00 0.00 C ATOM 1531 CD1 LEU A 104 -19.011 -6.156 4.144 1.00 0.00 C ATOM 1532 CD2 LEU A 104 -16.617 -5.780 3.525 1.00 0.00 C ATOM 0 H LEU A 104 -18.022 -2.112 1.772 1.00 0.00 H new ATOM 0 HA LEU A 104 -18.545 -4.898 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -17.331 -3.256 3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.907 -3.317 4.161 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.613 -4.966 5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -18.720 -7.085 4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -19.868 -5.725 4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -19.279 -6.361 3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.359 -6.715 4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -16.826 -5.975 2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -15.783 -5.083 3.606 1.00 0.00 H new ATOM 1544 N LEU A 105 -20.951 -5.267 2.096 1.00 0.00 N ATOM 1545 CA LEU A 105 -22.388 -5.484 2.220 1.00 0.00 C ATOM 1546 C LEU A 105 -22.704 -6.366 3.423 1.00 0.00 C ATOM 1547 O LEU A 105 -23.710 -6.167 4.105 1.00 0.00 O ATOM 1548 CB LEU A 105 -22.939 -6.123 0.945 1.00 0.00 C ATOM 1549 CG LEU A 105 -23.723 -5.198 0.014 1.00 0.00 C ATOM 1550 CD1 LEU A 105 -22.775 -4.312 -0.780 1.00 0.00 C ATOM 1551 CD2 LEU A 105 -24.608 -6.007 -0.923 1.00 0.00 C ATOM 0 H LEU A 105 -20.418 -6.103 1.855 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.865 -4.515 2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.105 -6.546 0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -23.586 -6.953 1.229 1.00 0.00 H new ATOM 0 HG LEU A 105 -24.362 -4.559 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -23.351 -3.660 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -22.184 -3.705 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -22.110 -4.935 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -25.158 -5.331 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -23.989 -6.672 -1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -25.312 -6.599 -0.338 1.00 0.00 H new ATOM 1563 N ARG A 106 -21.838 -7.341 3.679 1.00 0.00 N ATOM 1564 CA ARG A 106 -22.025 -8.254 4.801 1.00 0.00 C ATOM 1565 C ARG A 106 -20.786 -9.120 5.009 1.00 0.00 C ATOM 1566 O ARG A 106 -19.945 -9.244 4.118 1.00 0.00 O ATOM 1567 CB ARG A 106 -23.247 -9.142 4.565 1.00 0.00 C ATOM 1568 CG ARG A 106 -23.317 -9.723 3.162 1.00 0.00 C ATOM 1569 CD ARG A 106 -24.635 -10.441 2.921 1.00 0.00 C ATOM 1570 NE ARG A 106 -25.784 -9.607 3.264 1.00 0.00 N ATOM 1571 CZ ARG A 106 -27.018 -10.076 3.402 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -27.263 -11.368 3.228 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -28.011 -9.254 3.716 1.00 0.00 N ATOM 0 H ARG A 106 -21.000 -7.519 3.125 1.00 0.00 H new ATOM 0 HA ARG A 106 -22.186 -7.658 5.699 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -23.237 -9.959 5.287 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -24.150 -8.561 4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -23.198 -8.924 2.430 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -22.490 -10.418 3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -24.701 -10.736 1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -24.662 -11.356 3.512 1.00 0.00 H new ATOM 0 HE ARG A 106 -25.630 -8.609 3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -26.502 -12.003 2.988 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -28.212 -11.726 3.335 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -27.827 -8.260 3.852 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -28.959 -9.616 3.822 1.00 0.00 H new ATOM 1587 N VAL A 107 -20.679 -9.717 6.192 1.00 0.00 N ATOM 1588 CA VAL A 107 -19.544 -10.572 6.517 1.00 0.00 C ATOM 1589 C VAL A 107 -20.008 -11.939 7.007 1.00 0.00 C ATOM 1590 O VAL A 107 -21.025 -12.051 7.690 1.00 0.00 O ATOM 1591 CB VAL A 107 -18.648 -9.930 7.593 1.00 0.00 C ATOM 1592 CG1 VAL A 107 -17.494 -10.855 7.949 1.00 0.00 C ATOM 1593 CG2 VAL A 107 -18.132 -8.579 7.120 1.00 0.00 C ATOM 0 H VAL A 107 -21.365 -9.624 6.941 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.967 -10.695 5.600 1.00 0.00 H new ATOM 0 HB VAL A 107 -19.246 -9.771 8.491 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -16.872 -10.384 8.710 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -17.887 -11.796 8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.895 -11.048 7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -17.501 -8.140 7.893 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -17.550 -8.711 6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -18.975 -7.917 6.920 1.00 0.00 H new ATOM 1603 N GLU A 108 -19.254 -12.975 6.654 1.00 0.00 N ATOM 1604 CA GLU A 108 -19.589 -14.336 7.059 1.00 0.00 C ATOM 1605 C GLU A 108 -18.339 -15.099 7.489 1.00 0.00 C ATOM 1606 O GLU A 108 -17.502 -15.455 6.661 1.00 0.00 O ATOM 1607 CB GLU A 108 -20.282 -15.076 5.913 1.00 0.00 C ATOM 1608 CG GLU A 108 -21.683 -14.567 5.620 1.00 0.00 C ATOM 1609 CD GLU A 108 -22.579 -15.635 5.024 1.00 0.00 C ATOM 1610 OE1 GLU A 108 -22.070 -16.735 4.722 1.00 0.00 O ATOM 1611 OE2 GLU A 108 -23.789 -15.372 4.860 1.00 0.00 O ATOM 0 H GLU A 108 -18.408 -12.899 6.089 1.00 0.00 H new ATOM 0 HA GLU A 108 -20.269 -14.278 7.909 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -19.675 -14.984 5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -20.333 -16.137 6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -22.131 -14.195 6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -21.623 -13.723 4.932 1.00 0.00 H new