USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 741 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 82 CYS SG : rot 142:sc= -5.6! USER MOD Set 1.2: A 93 SER OG : rot -105:sc= -3.62! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.5!) USER MOD Single : A 13 SER OG : rot 48:sc= 0.337 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -6.58! C(o=-6.6!,f=-13!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.109) USER MOD Single : A 22 TYR OH : rot 110:sc= -0.381 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.13) USER MOD Single : A 30 ASN : amide:sc= -0.0065 X(o=-0.0065,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00807 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -85:sc= -0.0497! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 88:sc= 0.988 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 102:sc= 0.459 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.8!) USER MOD Single : A 84 GLN : amide:sc= -0.735 K(o=-0.73,f=-3!) USER MOD Single : A 85 ASN : amide:sc= -1.94! C(o=-1.9!,f=-2.3!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -74:sc= 0.752 USER MOD Single : A 104 HIS : no HD1:sc= -0.341 X(o=-0.34,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 9 4.427 -5.034 -1.796 1.00 0.00 N ATOM 32 CA LEU A 9 4.485 -6.040 -0.750 1.00 0.00 C ATOM 33 C LEU A 9 5.410 -5.554 0.368 1.00 0.00 C ATOM 34 O LEU A 9 5.131 -5.770 1.547 1.00 0.00 O ATOM 35 CB LEU A 9 4.885 -7.397 -1.333 1.00 0.00 C ATOM 36 CG LEU A 9 4.106 -7.852 -2.569 1.00 0.00 C ATOM 37 CD1 LEU A 9 4.377 -9.326 -2.875 1.00 0.00 C ATOM 38 CD2 LEU A 9 2.612 -7.565 -2.411 1.00 0.00 C ATOM 0 HA LEU A 9 3.500 -6.187 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.944 -7.363 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.768 -8.153 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 9 4.456 -7.276 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.811 -9.624 -3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.442 -9.469 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.071 -9.936 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.081 -7.898 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.229 -8.098 -1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.459 -6.494 -2.276 1.00 0.00 H new ATOM 50 N THR A 10 6.491 -4.907 -0.041 1.00 0.00 N ATOM 51 CA THR A 10 7.458 -4.389 0.911 1.00 0.00 C ATOM 52 C THR A 10 6.749 -3.608 2.019 1.00 0.00 C ATOM 53 O THR A 10 6.934 -3.894 3.201 1.00 0.00 O ATOM 54 CB THR A 10 8.482 -3.555 0.139 1.00 0.00 C ATOM 55 OG1 THR A 10 9.210 -2.870 1.155 1.00 0.00 O ATOM 56 CG2 THR A 10 7.831 -2.434 -0.673 1.00 0.00 C ATOM 0 H THR A 10 6.719 -4.730 -1.019 1.00 0.00 H new ATOM 0 HA THR A 10 7.989 -5.197 1.415 1.00 0.00 H new ATOM 0 HB THR A 10 9.049 -4.204 -0.528 1.00 0.00 H new ATOM 0 HG1 THR A 10 9.897 -2.306 0.742 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.602 -1.873 -1.202 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.136 -2.864 -1.394 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.291 -1.766 -0.003 1.00 0.00 H new ATOM 64 N GLN A 11 5.953 -2.636 1.598 1.00 0.00 N ATOM 65 CA GLN A 11 5.216 -1.811 2.540 1.00 0.00 C ATOM 66 C GLN A 11 4.016 -2.582 3.094 1.00 0.00 C ATOM 67 O GLN A 11 3.631 -2.393 4.247 1.00 0.00 O ATOM 68 CB GLN A 11 4.772 -0.499 1.889 1.00 0.00 C ATOM 69 CG GLN A 11 5.592 0.680 2.419 1.00 0.00 C ATOM 70 CD GLN A 11 4.977 1.243 3.701 1.00 0.00 C ATOM 71 OE1 GLN A 11 3.778 1.184 3.924 1.00 0.00 O ATOM 72 NE2 GLN A 11 5.861 1.790 4.530 1.00 0.00 N ATOM 0 H GLN A 11 5.802 -2.401 0.617 1.00 0.00 H new ATOM 0 HA GLN A 11 5.877 -1.561 3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.886 -0.569 0.807 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.714 -0.330 2.088 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.615 0.358 2.613 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.642 1.462 1.662 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.850 1.806 4.282 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.550 2.193 5.414 1.00 0.00 H new ATOM 81 N LEU A 12 3.457 -3.433 2.246 1.00 0.00 N ATOM 82 CA LEU A 12 2.308 -4.233 2.637 1.00 0.00 C ATOM 83 C LEU A 12 2.599 -4.917 3.974 1.00 0.00 C ATOM 84 O LEU A 12 1.715 -5.033 4.821 1.00 0.00 O ATOM 85 CB LEU A 12 1.927 -5.205 1.519 1.00 0.00 C ATOM 86 CG LEU A 12 0.465 -5.652 1.488 1.00 0.00 C ATOM 87 CD1 LEU A 12 0.033 -6.208 2.846 1.00 0.00 C ATOM 88 CD2 LEU A 12 -0.446 -4.516 1.018 1.00 0.00 C ATOM 0 H LEU A 12 3.778 -3.586 1.290 1.00 0.00 H new ATOM 0 HA LEU A 12 1.435 -3.598 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.164 -4.738 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.555 -6.091 1.606 1.00 0.00 H new ATOM 0 HG LEU A 12 0.371 -6.461 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.011 -6.519 2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.655 -7.065 3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.146 -5.437 3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.480 -4.861 1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.354 -3.670 1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.154 -4.207 0.014 1.00 0.00 H new ATOM 100 N SER A 13 3.842 -5.351 4.122 1.00 0.00 N ATOM 101 CA SER A 13 4.261 -6.020 5.342 1.00 0.00 C ATOM 102 C SER A 13 5.781 -6.194 5.348 1.00 0.00 C ATOM 103 O SER A 13 6.281 -7.317 5.394 1.00 0.00 O ATOM 104 CB SER A 13 3.571 -7.378 5.490 1.00 0.00 C ATOM 105 OG SER A 13 2.450 -7.315 6.366 1.00 0.00 O ATOM 0 H SER A 13 4.573 -5.252 3.417 1.00 0.00 H new ATOM 0 HA SER A 13 3.969 -5.400 6.190 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.246 -7.728 4.510 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.286 -8.108 5.868 1.00 0.00 H new ATOM 0 HG SER A 13 1.893 -6.544 6.130 1.00 0.00 H new ATOM 111 N SER A 14 6.474 -5.065 5.302 1.00 0.00 N ATOM 112 CA SER A 14 7.927 -5.078 5.301 1.00 0.00 C ATOM 113 C SER A 14 8.440 -6.141 4.328 1.00 0.00 C ATOM 114 O SER A 14 9.542 -6.660 4.495 1.00 0.00 O ATOM 115 CB SER A 14 8.475 -5.336 6.706 1.00 0.00 C ATOM 116 OG SER A 14 9.328 -4.283 7.148 1.00 0.00 O ATOM 0 H SER A 14 6.056 -4.135 5.265 1.00 0.00 H new ATOM 0 HA SER A 14 8.278 -4.098 4.977 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.645 -5.448 7.404 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.026 -6.276 6.713 1.00 0.00 H new ATOM 0 HG SER A 14 9.656 -4.484 8.049 1.00 0.00 H new ATOM 122 N GLY A 15 7.617 -6.431 3.331 1.00 0.00 N ATOM 123 CA GLY A 15 7.975 -7.422 2.330 1.00 0.00 C ATOM 124 C GLY A 15 8.031 -8.824 2.942 1.00 0.00 C ATOM 125 O GLY A 15 8.922 -9.609 2.621 1.00 0.00 O ATOM 0 H GLY A 15 6.704 -5.997 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.247 -7.404 1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.943 -7.172 1.895 1.00 0.00 H new ATOM 129 N ASN A 16 7.070 -9.094 3.812 1.00 0.00 N ATOM 130 CA ASN A 16 6.999 -10.387 4.472 1.00 0.00 C ATOM 131 C ASN A 16 6.634 -11.459 3.444 1.00 0.00 C ATOM 132 O ASN A 16 5.588 -11.378 2.802 1.00 0.00 O ATOM 133 CB ASN A 16 5.926 -10.391 5.562 1.00 0.00 C ATOM 134 CG ASN A 16 6.286 -11.369 6.682 1.00 0.00 C ATOM 135 OD1 ASN A 16 6.926 -12.385 6.472 1.00 0.00 O ATOM 136 ND2 ASN A 16 5.839 -11.005 7.881 1.00 0.00 N ATOM 0 H ASN A 16 6.333 -8.440 4.076 1.00 0.00 H new ATOM 0 HA ASN A 16 7.970 -10.590 4.923 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.816 -9.387 5.972 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.964 -10.666 5.129 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.027 -11.591 8.695 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.308 -10.140 7.987 1.00 0.00 H new ATOM 143 N PRO A 17 7.540 -12.466 3.317 1.00 0.00 N ATOM 144 CA PRO A 17 7.323 -13.554 2.379 1.00 0.00 C ATOM 145 C PRO A 17 6.264 -14.526 2.901 1.00 0.00 C ATOM 146 O PRO A 17 5.819 -15.414 2.175 1.00 0.00 O ATOM 147 CB PRO A 17 8.688 -14.200 2.204 1.00 0.00 C ATOM 148 CG PRO A 17 9.517 -13.751 3.396 1.00 0.00 C ATOM 149 CD PRO A 17 8.789 -12.595 4.062 1.00 0.00 C ATOM 0 HA PRO A 17 6.933 -13.211 1.421 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.605 -15.286 2.173 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.150 -13.889 1.267 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.651 -14.573 4.099 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.511 -13.441 3.074 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.602 -12.799 5.116 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.375 -11.677 4.014 1.00 0.00 H new ATOM 157 N VAL A 18 5.890 -14.326 4.156 1.00 0.00 N ATOM 158 CA VAL A 18 4.891 -15.174 4.784 1.00 0.00 C ATOM 159 C VAL A 18 3.631 -15.199 3.916 1.00 0.00 C ATOM 160 O VAL A 18 3.044 -16.258 3.700 1.00 0.00 O ATOM 161 CB VAL A 18 4.623 -14.697 6.213 1.00 0.00 C ATOM 162 CG1 VAL A 18 4.120 -13.252 6.223 1.00 0.00 C ATOM 163 CG2 VAL A 18 3.638 -15.626 6.925 1.00 0.00 C ATOM 0 H VAL A 18 6.261 -13.589 4.755 1.00 0.00 H new ATOM 0 HA VAL A 18 5.254 -16.199 4.860 1.00 0.00 H new ATOM 0 HB VAL A 18 5.566 -14.727 6.759 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.937 -12.937 7.250 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.871 -12.602 5.773 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.193 -13.185 5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.465 -15.265 7.939 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.694 -15.643 6.380 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.052 -16.634 6.965 1.00 0.00 H new ATOM 173 N TYR A 19 3.254 -14.021 3.442 1.00 0.00 N ATOM 174 CA TYR A 19 2.075 -13.895 2.603 1.00 0.00 C ATOM 175 C TYR A 19 2.280 -14.599 1.260 1.00 0.00 C ATOM 176 O TYR A 19 1.342 -15.168 0.704 1.00 0.00 O ATOM 177 CB TYR A 19 1.892 -12.396 2.356 1.00 0.00 C ATOM 178 CG TYR A 19 1.112 -11.674 3.457 1.00 0.00 C ATOM 179 CD1 TYR A 19 -0.216 -11.978 3.674 1.00 0.00 C ATOM 180 CD2 TYR A 19 1.738 -10.720 4.233 1.00 0.00 C ATOM 181 CE1 TYR A 19 -0.950 -11.299 4.711 1.00 0.00 C ATOM 182 CE2 TYR A 19 1.004 -10.041 5.270 1.00 0.00 C ATOM 183 CZ TYR A 19 -0.303 -10.364 5.457 1.00 0.00 C ATOM 184 OH TYR A 19 -0.996 -9.723 6.436 1.00 0.00 O ATOM 0 H TYR A 19 3.744 -13.145 3.623 1.00 0.00 H new ATOM 0 HA TYR A 19 1.210 -14.348 3.086 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.873 -11.932 2.256 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.375 -12.255 1.407 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.705 -12.725 3.067 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.778 -10.483 4.063 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.990 -11.527 4.892 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.481 -9.292 5.885 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.407 -9.083 6.888 1.00 0.00 H new ATOM 194 N GLU A 20 3.513 -14.539 0.778 1.00 0.00 N ATOM 195 CA GLU A 20 3.853 -15.164 -0.488 1.00 0.00 C ATOM 196 C GLU A 20 3.592 -16.670 -0.424 1.00 0.00 C ATOM 197 O GLU A 20 3.136 -17.267 -1.398 1.00 0.00 O ATOM 198 CB GLU A 20 5.306 -14.875 -0.870 1.00 0.00 C ATOM 199 CG GLU A 20 5.382 -14.058 -2.161 1.00 0.00 C ATOM 200 CD GLU A 20 5.820 -14.932 -3.338 1.00 0.00 C ATOM 201 OE1 GLU A 20 5.349 -16.070 -3.475 1.00 0.00 O ATOM 202 OE2 GLU A 20 6.683 -14.388 -4.128 1.00 0.00 O ATOM 0 H GLU A 20 4.289 -14.067 1.242 1.00 0.00 H new ATOM 0 HA GLU A 20 3.217 -14.738 -1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.797 -14.332 -0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.846 -15.813 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.409 -13.616 -2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.085 -13.235 -2.034 1.00 0.00 H new ATOM 210 N LYS A 21 3.892 -17.242 0.733 1.00 0.00 N ATOM 211 CA LYS A 21 3.696 -18.667 0.938 1.00 0.00 C ATOM 212 C LYS A 21 2.259 -19.038 0.563 1.00 0.00 C ATOM 213 O LYS A 21 2.030 -20.038 -0.115 1.00 0.00 O ATOM 214 CB LYS A 21 4.080 -19.061 2.365 1.00 0.00 C ATOM 215 CG LYS A 21 5.580 -18.870 2.602 1.00 0.00 C ATOM 216 CD LYS A 21 6.265 -20.207 2.889 1.00 0.00 C ATOM 217 CE LYS A 21 7.756 -20.142 2.555 1.00 0.00 C ATOM 218 NZ LYS A 21 7.962 -20.185 1.090 1.00 0.00 N ATOM 0 H LYS A 21 4.270 -16.744 1.539 1.00 0.00 H new ATOM 0 HA LYS A 21 4.355 -19.240 0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.516 -18.458 3.077 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.810 -20.102 2.544 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.034 -18.406 1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.736 -18.190 3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.135 -20.468 3.939 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.792 -20.995 2.304 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.186 -19.227 2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.277 -20.976 3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.952 -20.428 0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.336 -20.903 0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.743 -19.254 0.681 1.00 0.00 H new ATOM 229 N TYR A 22 1.330 -18.213 1.021 1.00 0.00 N ATOM 230 CA TYR A 22 -0.078 -18.442 0.742 1.00 0.00 C ATOM 231 C TYR A 22 -0.411 -18.101 -0.712 1.00 0.00 C ATOM 232 O TYR A 22 -1.020 -18.904 -1.417 1.00 0.00 O ATOM 233 CB TYR A 22 -0.850 -17.497 1.665 1.00 0.00 C ATOM 234 CG TYR A 22 -0.777 -17.876 3.146 1.00 0.00 C ATOM 235 CD1 TYR A 22 -1.026 -19.175 3.539 1.00 0.00 C ATOM 236 CD2 TYR A 22 -0.461 -16.918 4.088 1.00 0.00 C ATOM 237 CE1 TYR A 22 -0.957 -19.531 4.932 1.00 0.00 C ATOM 238 CE2 TYR A 22 -0.392 -17.274 5.482 1.00 0.00 C ATOM 239 CZ TYR A 22 -0.644 -18.563 5.835 1.00 0.00 C ATOM 240 OH TYR A 22 -0.579 -18.900 7.151 1.00 0.00 O ATOM 0 H TYR A 22 1.524 -17.385 1.584 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.336 -19.488 0.905 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.462 -16.486 1.540 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.895 -17.478 1.357 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.273 -19.925 2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.265 -15.902 3.780 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.149 -20.544 5.253 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.146 -16.534 6.230 1.00 0.00 H new ATOM 0 HH TYR A 22 0.354 -18.872 7.450 1.00 0.00 H new ATOM 250 N TYR A 23 0.002 -16.909 -1.116 1.00 0.00 N ATOM 251 CA TYR A 23 -0.246 -16.452 -2.473 1.00 0.00 C ATOM 252 C TYR A 23 0.275 -17.464 -3.496 1.00 0.00 C ATOM 253 O TYR A 23 -0.144 -17.455 -4.652 1.00 0.00 O ATOM 254 CB TYR A 23 0.532 -15.143 -2.626 1.00 0.00 C ATOM 255 CG TYR A 23 0.927 -14.819 -4.068 1.00 0.00 C ATOM 256 CD1 TYR A 23 2.025 -15.432 -4.637 1.00 0.00 C ATOM 257 CD2 TYR A 23 0.186 -13.913 -4.799 1.00 0.00 C ATOM 258 CE1 TYR A 23 2.396 -15.127 -5.995 1.00 0.00 C ATOM 259 CE2 TYR A 23 0.558 -13.608 -6.156 1.00 0.00 C ATOM 260 CZ TYR A 23 1.645 -14.230 -6.687 1.00 0.00 C ATOM 261 OH TYR A 23 1.996 -13.941 -7.969 1.00 0.00 O ATOM 0 H TYR A 23 0.507 -16.246 -0.528 1.00 0.00 H new ATOM 0 HA TYR A 23 -1.315 -16.326 -2.646 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.072 -14.325 -2.233 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.434 -15.195 -2.016 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.606 -16.140 -4.064 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.673 -13.433 -4.353 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.252 -15.600 -6.453 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.013 -12.901 -6.739 1.00 0.00 H new ATOM 0 HH TYR A 23 1.369 -13.285 -8.340 1.00 0.00 H new ATOM 271 N ARG A 24 1.183 -18.311 -3.033 1.00 0.00 N ATOM 272 CA ARG A 24 1.765 -19.327 -3.893 1.00 0.00 C ATOM 273 C ARG A 24 0.967 -20.628 -3.794 1.00 0.00 C ATOM 274 O ARG A 24 0.979 -21.440 -4.718 1.00 0.00 O ATOM 275 CB ARG A 24 3.222 -19.600 -3.513 1.00 0.00 C ATOM 276 CG ARG A 24 3.996 -20.185 -4.696 1.00 0.00 C ATOM 277 CD ARG A 24 3.917 -21.713 -4.702 1.00 0.00 C ATOM 278 NE ARG A 24 5.243 -22.290 -4.384 1.00 0.00 N ATOM 279 CZ ARG A 24 5.554 -23.596 -4.526 1.00 0.00 C ATOM 280 NH1 ARG A 24 4.636 -24.473 -4.984 1.00 0.00 N ATOM 281 NH2 ARG A 24 6.770 -24.002 -4.212 1.00 0.00 N ATOM 0 H ARG A 24 1.530 -18.314 -2.074 1.00 0.00 H new ATOM 0 HA ARG A 24 1.731 -18.954 -4.917 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.696 -18.675 -3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.259 -20.292 -2.672 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.592 -19.793 -5.629 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.039 -19.872 -4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.180 -22.050 -3.973 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.583 -22.064 -5.678 1.00 0.00 H new ATOM 0 HE ARG A 24 5.967 -21.661 -4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.699 -24.151 -5.226 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.879 -25.458 -5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.458 -23.332 -3.868 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.021 -24.985 -4.313 1.00 0.00 H new ATOM 294 N GLN A 25 0.292 -20.786 -2.665 1.00 0.00 N ATOM 295 CA GLN A 25 -0.511 -21.975 -2.433 1.00 0.00 C ATOM 296 C GLN A 25 -1.626 -22.075 -3.477 1.00 0.00 C ATOM 297 O GLN A 25 -1.941 -23.165 -3.951 1.00 0.00 O ATOM 298 CB GLN A 25 -1.085 -21.981 -1.015 1.00 0.00 C ATOM 299 CG GLN A 25 -0.200 -22.794 -0.069 1.00 0.00 C ATOM 300 CD GLN A 25 -1.038 -23.763 0.768 1.00 0.00 C ATOM 301 OE1 GLN A 25 -0.920 -23.840 1.980 1.00 0.00 O ATOM 302 NE2 GLN A 25 -1.889 -24.497 0.056 1.00 0.00 N ATOM 0 H GLN A 25 0.285 -20.110 -1.901 1.00 0.00 H new ATOM 0 HA GLN A 25 0.132 -22.849 -2.533 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.171 -20.958 -0.649 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.091 -22.400 -1.028 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.539 -23.351 -0.645 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.350 -22.121 0.589 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.938 -24.383 -0.956 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.493 -25.174 0.523 1.00 0.00 H new ATOM 311 N VAL A 26 -2.191 -20.922 -3.803 1.00 0.00 N ATOM 312 CA VAL A 26 -3.264 -20.866 -4.782 1.00 0.00 C ATOM 313 C VAL A 26 -2.679 -21.045 -6.184 1.00 0.00 C ATOM 314 O VAL A 26 -3.260 -21.736 -7.019 1.00 0.00 O ATOM 315 CB VAL A 26 -4.049 -19.562 -4.623 1.00 0.00 C ATOM 316 CG1 VAL A 26 -4.110 -19.133 -3.156 1.00 0.00 C ATOM 317 CG2 VAL A 26 -3.453 -18.454 -5.494 1.00 0.00 C ATOM 0 H VAL A 26 -1.927 -20.020 -3.407 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.973 -21.678 -4.620 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.069 -19.742 -4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.673 -18.204 -3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.601 -19.910 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.099 -18.979 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.029 -17.538 -5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.418 -18.277 -5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.486 -18.756 -6.541 1.00 0.00 H new ATOM 327 N GLU A 27 -1.537 -20.410 -6.400 1.00 0.00 N ATOM 328 CA GLU A 27 -0.867 -20.490 -7.687 1.00 0.00 C ATOM 329 C GLU A 27 -0.944 -21.916 -8.237 1.00 0.00 C ATOM 330 O GLU A 27 -0.875 -22.882 -7.479 1.00 0.00 O ATOM 331 CB GLU A 27 0.586 -20.021 -7.579 1.00 0.00 C ATOM 332 CG GLU A 27 1.259 -20.003 -8.953 1.00 0.00 C ATOM 333 CD GLU A 27 2.461 -20.949 -8.987 1.00 0.00 C ATOM 334 OE1 GLU A 27 3.152 -21.110 -7.970 1.00 0.00 O ATOM 335 OE2 GLU A 27 2.666 -21.529 -10.121 1.00 0.00 O ATOM 0 H GLU A 27 -1.058 -19.837 -5.705 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.378 -19.825 -8.383 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.618 -19.023 -7.141 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.136 -20.681 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.540 -20.295 -9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.582 -18.990 -9.190 1.00 0.00 H new ATOM 343 N ALA A 28 -1.085 -22.002 -9.551 1.00 0.00 N ATOM 344 CA ALA A 28 -1.172 -23.293 -10.212 1.00 0.00 C ATOM 345 C ALA A 28 -0.115 -23.369 -11.315 1.00 0.00 C ATOM 346 O ALA A 28 0.117 -22.392 -12.026 1.00 0.00 O ATOM 347 CB ALA A 28 -2.590 -23.498 -10.748 1.00 0.00 C ATOM 0 H ALA A 28 -1.141 -21.198 -10.176 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.971 -24.099 -9.507 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.655 -24.467 -11.244 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.300 -23.465 -9.921 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.827 -22.709 -11.461 1.00 0.00 H new ATOM 353 N GLY A 29 0.498 -24.538 -11.424 1.00 0.00 N ATOM 354 CA GLY A 29 1.525 -24.754 -12.429 1.00 0.00 C ATOM 355 C GLY A 29 2.907 -24.374 -11.891 1.00 0.00 C ATOM 356 O GLY A 29 3.046 -24.022 -10.721 1.00 0.00 O ATOM 0 H GLY A 29 0.303 -25.346 -10.833 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.525 -25.800 -12.735 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.301 -24.162 -13.316 1.00 0.00 H new ATOM 360 N ASN A 30 3.893 -24.459 -12.772 1.00 0.00 N ATOM 361 CA ASN A 30 5.258 -24.129 -12.401 1.00 0.00 C ATOM 362 C ASN A 30 5.721 -22.914 -13.207 1.00 0.00 C ATOM 363 O ASN A 30 6.815 -22.918 -13.770 1.00 0.00 O ATOM 364 CB ASN A 30 6.208 -25.289 -12.706 1.00 0.00 C ATOM 365 CG ASN A 30 6.276 -26.265 -11.530 1.00 0.00 C ATOM 366 OD1 ASN A 30 5.311 -26.925 -11.181 1.00 0.00 O ATOM 367 ND2 ASN A 30 7.468 -26.321 -10.942 1.00 0.00 N ATOM 0 H ASN A 30 3.773 -24.752 -13.742 1.00 0.00 H new ATOM 0 HA ASN A 30 5.276 -23.921 -11.331 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.872 -25.814 -13.600 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.204 -24.902 -12.920 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.616 -26.944 -10.148 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.234 -25.741 -11.285 1.00 0.00 H new ATOM 374 N THR A 31 4.866 -21.902 -13.237 1.00 0.00 N ATOM 375 CA THR A 31 5.174 -20.683 -13.965 1.00 0.00 C ATOM 376 C THR A 31 5.436 -19.533 -12.991 1.00 0.00 C ATOM 377 O THR A 31 6.166 -18.596 -13.313 1.00 0.00 O ATOM 378 CB THR A 31 4.023 -20.408 -14.935 1.00 0.00 C ATOM 379 OG1 THR A 31 2.869 -20.360 -14.100 1.00 0.00 O ATOM 380 CG2 THR A 31 3.755 -21.586 -15.874 1.00 0.00 C ATOM 0 H THR A 31 3.960 -21.902 -12.769 1.00 0.00 H new ATOM 0 HA THR A 31 6.090 -20.790 -14.547 1.00 0.00 H new ATOM 0 HB THR A 31 4.249 -19.519 -15.523 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.076 -20.184 -14.648 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.929 -21.339 -16.541 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.648 -21.792 -16.463 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.496 -22.467 -15.287 1.00 0.00 H new ATOM 388 N GLY A 32 4.826 -19.640 -11.820 1.00 0.00 N ATOM 389 CA GLY A 32 4.984 -18.620 -10.797 1.00 0.00 C ATOM 390 C GLY A 32 3.933 -17.520 -10.953 1.00 0.00 C ATOM 391 O GLY A 32 4.197 -16.357 -10.651 1.00 0.00 O ATOM 0 H GLY A 32 4.221 -20.418 -11.557 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.897 -19.074 -9.810 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.982 -18.186 -10.862 1.00 0.00 H new ATOM 395 N ARG A 33 2.762 -17.926 -11.423 1.00 0.00 N ATOM 396 CA ARG A 33 1.670 -16.989 -11.622 1.00 0.00 C ATOM 397 C ARG A 33 0.365 -17.571 -11.073 1.00 0.00 C ATOM 398 O ARG A 33 0.095 -18.760 -11.235 1.00 0.00 O ATOM 399 CB ARG A 33 1.489 -16.661 -13.105 1.00 0.00 C ATOM 400 CG ARG A 33 2.577 -15.701 -13.591 1.00 0.00 C ATOM 401 CD ARG A 33 2.037 -14.273 -13.703 1.00 0.00 C ATOM 402 NE ARG A 33 3.157 -13.321 -13.878 1.00 0.00 N ATOM 403 CZ ARG A 33 3.007 -11.981 -13.944 1.00 0.00 C ATOM 404 NH1 ARG A 33 1.781 -11.423 -13.852 1.00 0.00 N ATOM 405 NH2 ARG A 33 4.077 -11.225 -14.102 1.00 0.00 N ATOM 0 H ARG A 33 2.546 -18.891 -11.672 1.00 0.00 H new ATOM 0 HA ARG A 33 1.918 -16.073 -11.086 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.521 -17.580 -13.691 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.507 -16.215 -13.265 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.420 -15.722 -12.901 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.951 -16.030 -14.561 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.351 -14.200 -14.547 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.469 -14.019 -12.808 1.00 0.00 H new ATOM 0 HE ARG A 33 4.101 -13.701 -13.953 1.00 0.00 H new ATOM 0 HH11 ARG A 33 0.959 -12.015 -13.732 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.677 -10.410 -13.903 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.999 -11.655 -14.172 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.982 -10.211 -14.154 1.00 0.00 H new ATOM 418 N VAL A 34 -0.408 -16.705 -10.434 1.00 0.00 N ATOM 419 CA VAL A 34 -1.678 -17.118 -9.861 1.00 0.00 C ATOM 420 C VAL A 34 -2.768 -17.032 -10.930 1.00 0.00 C ATOM 421 O VAL A 34 -3.089 -15.945 -11.408 1.00 0.00 O ATOM 422 CB VAL A 34 -1.989 -16.278 -8.620 1.00 0.00 C ATOM 423 CG1 VAL A 34 -3.355 -16.647 -8.037 1.00 0.00 C ATOM 424 CG2 VAL A 34 -0.887 -16.423 -7.569 1.00 0.00 C ATOM 0 H VAL A 34 -0.180 -15.720 -10.300 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.629 -18.156 -9.531 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.026 -15.232 -8.924 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.552 -16.036 -7.156 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.129 -16.468 -8.783 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.358 -17.700 -7.756 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.133 -15.816 -6.698 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.804 -17.468 -7.271 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.062 -16.088 -7.988 1.00 0.00 H new ATOM 434 N LEU A 35 -3.308 -18.192 -11.275 1.00 0.00 N ATOM 435 CA LEU A 35 -4.355 -18.261 -12.279 1.00 0.00 C ATOM 436 C LEU A 35 -5.569 -17.463 -11.799 1.00 0.00 C ATOM 437 O LEU A 35 -6.487 -17.196 -12.574 1.00 0.00 O ATOM 438 CB LEU A 35 -4.674 -19.718 -12.621 1.00 0.00 C ATOM 439 CG LEU A 35 -4.266 -20.183 -14.021 1.00 0.00 C ATOM 440 CD1 LEU A 35 -4.255 -21.710 -14.110 1.00 0.00 C ATOM 441 CD2 LEU A 35 -5.161 -19.552 -15.090 1.00 0.00 C ATOM 0 H LEU A 35 -3.039 -19.092 -10.876 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.020 -17.804 -13.210 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.182 -20.358 -11.889 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.747 -19.871 -12.507 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.248 -19.843 -14.211 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.962 -22.014 -15.115 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.544 -22.111 -13.388 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.251 -22.094 -13.891 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.850 -19.899 -16.076 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.197 -19.841 -14.914 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.074 -18.466 -15.043 1.00 0.00 H new ATOM 453 N ALA A 36 -5.535 -17.104 -10.525 1.00 0.00 N ATOM 454 CA ALA A 36 -6.621 -16.341 -9.933 1.00 0.00 C ATOM 455 C ALA A 36 -7.720 -17.300 -9.470 1.00 0.00 C ATOM 456 O ALA A 36 -8.093 -17.304 -8.298 1.00 0.00 O ATOM 457 CB ALA A 36 -7.133 -15.312 -10.943 1.00 0.00 C ATOM 0 H ALA A 36 -4.772 -17.327 -9.885 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.272 -15.793 -9.058 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.947 -14.740 -10.499 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.323 -14.637 -11.217 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.494 -15.825 -11.834 1.00 0.00 H new ATOM 463 N LEU A 37 -8.207 -18.091 -10.416 1.00 0.00 N ATOM 464 CA LEU A 37 -9.255 -19.053 -10.120 1.00 0.00 C ATOM 465 C LEU A 37 -8.942 -19.751 -8.795 1.00 0.00 C ATOM 466 O LEU A 37 -9.842 -20.008 -7.997 1.00 0.00 O ATOM 467 CB LEU A 37 -9.444 -20.017 -11.293 1.00 0.00 C ATOM 468 CG LEU A 37 -10.480 -19.603 -12.340 1.00 0.00 C ATOM 469 CD1 LEU A 37 -9.882 -18.614 -13.342 1.00 0.00 C ATOM 470 CD2 LEU A 37 -11.079 -20.829 -13.033 1.00 0.00 C ATOM 0 H LEU A 37 -7.895 -18.085 -11.387 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.212 -18.547 -9.996 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.483 -20.144 -11.792 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.728 -20.991 -10.895 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.295 -19.091 -11.830 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.639 -18.336 -14.075 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.543 -17.722 -12.815 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.037 -19.078 -13.851 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.812 -20.507 -13.772 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.287 -21.390 -13.528 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.565 -21.464 -12.293 1.00 0.00 H new ATOM 482 N ASP A 38 -7.663 -20.038 -8.602 1.00 0.00 N ATOM 483 CA ASP A 38 -7.220 -20.702 -7.388 1.00 0.00 C ATOM 484 C ASP A 38 -7.313 -19.724 -6.214 1.00 0.00 C ATOM 485 O ASP A 38 -7.792 -20.082 -5.140 1.00 0.00 O ATOM 486 CB ASP A 38 -5.764 -21.157 -7.508 1.00 0.00 C ATOM 487 CG ASP A 38 -5.574 -22.657 -7.746 1.00 0.00 C ATOM 488 OD1 ASP A 38 -5.229 -23.089 -8.856 1.00 0.00 O ATOM 489 OD2 ASP A 38 -5.798 -23.404 -6.718 1.00 0.00 O ATOM 0 H ASP A 38 -6.919 -19.823 -9.266 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.858 -21.571 -7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.295 -20.612 -8.327 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.236 -20.879 -6.596 1.00 0.00 H new ATOM 495 N ALA A 39 -6.848 -18.508 -6.461 1.00 0.00 N ATOM 496 CA ALA A 39 -6.873 -17.476 -5.438 1.00 0.00 C ATOM 497 C ALA A 39 -8.258 -17.440 -4.789 1.00 0.00 C ATOM 498 O ALA A 39 -8.374 -17.378 -3.566 1.00 0.00 O ATOM 499 CB ALA A 39 -6.485 -16.132 -6.059 1.00 0.00 C ATOM 0 H ALA A 39 -6.452 -18.214 -7.354 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.148 -17.695 -4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.504 -15.358 -5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.482 -16.202 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.193 -15.878 -6.848 1.00 0.00 H new ATOM 505 N ALA A 40 -9.275 -17.481 -5.638 1.00 0.00 N ATOM 506 CA ALA A 40 -10.648 -17.454 -5.162 1.00 0.00 C ATOM 507 C ALA A 40 -10.911 -18.695 -4.306 1.00 0.00 C ATOM 508 O ALA A 40 -11.668 -18.636 -3.338 1.00 0.00 O ATOM 509 CB ALA A 40 -11.600 -17.358 -6.356 1.00 0.00 C ATOM 0 H ALA A 40 -9.176 -17.533 -6.652 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.820 -16.579 -4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.630 -17.338 -6.000 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.392 -16.446 -6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.458 -18.222 -7.005 1.00 0.00 H new ATOM 515 N ALA A 41 -10.271 -19.789 -4.693 1.00 0.00 N ATOM 516 CA ALA A 41 -10.426 -21.041 -3.973 1.00 0.00 C ATOM 517 C ALA A 41 -9.918 -20.867 -2.541 1.00 0.00 C ATOM 518 O ALA A 41 -10.631 -21.167 -1.585 1.00 0.00 O ATOM 519 CB ALA A 41 -9.692 -22.155 -4.722 1.00 0.00 C ATOM 0 H ALA A 41 -9.644 -19.834 -5.496 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.477 -21.324 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.808 -23.095 -4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.111 -22.258 -5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.633 -21.907 -4.796 1.00 0.00 H new ATOM 525 N PHE A 42 -8.689 -20.383 -2.438 1.00 0.00 N ATOM 526 CA PHE A 42 -8.077 -20.165 -1.138 1.00 0.00 C ATOM 527 C PHE A 42 -8.836 -19.099 -0.346 1.00 0.00 C ATOM 528 O PHE A 42 -9.077 -19.262 0.849 1.00 0.00 O ATOM 529 CB PHE A 42 -6.650 -19.676 -1.392 1.00 0.00 C ATOM 530 CG PHE A 42 -5.789 -19.584 -0.131 1.00 0.00 C ATOM 531 CD1 PHE A 42 -5.562 -20.696 0.620 1.00 0.00 C ATOM 532 CD2 PHE A 42 -5.251 -18.392 0.241 1.00 0.00 C ATOM 533 CE1 PHE A 42 -4.764 -20.611 1.791 1.00 0.00 C ATOM 534 CE2 PHE A 42 -4.453 -18.307 1.412 1.00 0.00 C ATOM 535 CZ PHE A 42 -4.226 -19.418 2.162 1.00 0.00 C ATOM 0 H PHE A 42 -8.100 -20.136 -3.233 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.094 -21.089 -0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.167 -20.349 -2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.692 -18.694 -1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.989 -21.643 0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.431 -17.509 -0.355 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.584 -21.493 2.387 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.026 -17.360 1.707 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.618 -19.353 3.053 1.00 0.00 H new ATOM 545 N LEU A 43 -9.191 -18.030 -1.044 1.00 0.00 N ATOM 546 CA LEU A 43 -9.918 -16.937 -0.421 1.00 0.00 C ATOM 547 C LEU A 43 -11.202 -17.479 0.210 1.00 0.00 C ATOM 548 O LEU A 43 -11.502 -17.184 1.366 1.00 0.00 O ATOM 549 CB LEU A 43 -10.155 -15.809 -1.427 1.00 0.00 C ATOM 550 CG LEU A 43 -8.922 -14.996 -1.826 1.00 0.00 C ATOM 551 CD1 LEU A 43 -9.241 -14.047 -2.983 1.00 0.00 C ATOM 552 CD2 LEU A 43 -8.341 -14.254 -0.620 1.00 0.00 C ATOM 0 H LEU A 43 -8.989 -17.898 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.329 -16.496 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.590 -16.239 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.896 -15.127 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.157 -15.687 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.347 -13.481 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.573 -14.624 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.030 -13.358 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.466 -13.684 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.091 -13.575 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.052 -14.974 0.146 1.00 0.00 H new ATOM 564 N LYS A 44 -11.926 -18.261 -0.577 1.00 0.00 N ATOM 565 CA LYS A 44 -13.172 -18.846 -0.110 1.00 0.00 C ATOM 566 C LYS A 44 -12.955 -19.455 1.276 1.00 0.00 C ATOM 567 O LYS A 44 -13.899 -19.589 2.054 1.00 0.00 O ATOM 568 CB LYS A 44 -13.717 -19.837 -1.140 1.00 0.00 C ATOM 569 CG LYS A 44 -14.683 -19.149 -2.106 1.00 0.00 C ATOM 570 CD LYS A 44 -15.939 -19.995 -2.322 1.00 0.00 C ATOM 571 CE LYS A 44 -15.952 -20.611 -3.722 1.00 0.00 C ATOM 572 NZ LYS A 44 -16.074 -22.083 -3.640 1.00 0.00 N ATOM 0 H LYS A 44 -11.674 -18.503 -1.535 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.939 -18.078 -0.005 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.891 -20.277 -1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.228 -20.653 -0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.962 -18.172 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.187 -18.978 -3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.982 -20.785 -1.573 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.826 -19.377 -2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.783 -20.203 -4.297 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.037 -20.345 -4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.081 -22.485 -4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.267 -22.469 -3.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.959 -22.331 -3.154 1.00 0.00 H new ATOM 583 N LYS A 45 -11.707 -19.810 1.543 1.00 0.00 N ATOM 584 CA LYS A 45 -11.355 -20.402 2.822 1.00 0.00 C ATOM 585 C LYS A 45 -11.181 -19.294 3.862 1.00 0.00 C ATOM 586 O LYS A 45 -10.463 -19.467 4.846 1.00 0.00 O ATOM 587 CB LYS A 45 -10.128 -21.305 2.675 1.00 0.00 C ATOM 588 CG LYS A 45 -10.217 -22.147 1.401 1.00 0.00 C ATOM 589 CD LYS A 45 -10.035 -23.634 1.713 1.00 0.00 C ATOM 590 CE LYS A 45 -8.632 -24.107 1.325 1.00 0.00 C ATOM 591 NZ LYS A 45 -8.656 -25.535 0.936 1.00 0.00 N ATOM 0 H LYS A 45 -10.927 -19.699 0.895 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.158 -21.049 3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.224 -20.696 2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.047 -21.959 3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.183 -21.988 0.922 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.454 -21.824 0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.201 -23.809 2.776 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.782 -24.217 1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.254 -23.505 0.498 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.949 -23.963 2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.696 -25.840 0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.996 -26.107 1.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.292 -25.663 0.123 1.00 0.00 H new ATOM 602 N SER A 46 -11.850 -18.178 3.609 1.00 0.00 N ATOM 603 CA SER A 46 -11.778 -17.042 4.512 1.00 0.00 C ATOM 604 C SER A 46 -12.930 -17.098 5.517 1.00 0.00 C ATOM 605 O SER A 46 -12.723 -17.416 6.687 1.00 0.00 O ATOM 606 CB SER A 46 -11.812 -15.722 3.738 1.00 0.00 C ATOM 607 OG SER A 46 -13.087 -15.482 3.148 1.00 0.00 O ATOM 0 H SER A 46 -12.444 -18.037 2.792 1.00 0.00 H new ATOM 0 HA SER A 46 -10.832 -17.092 5.051 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.563 -14.901 4.410 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.049 -15.739 2.959 1.00 0.00 H new ATOM 0 HG SER A 46 -13.139 -15.940 2.283 1.00 0.00 H new ATOM 613 N GLY A 47 -14.119 -16.783 5.024 1.00 0.00 N ATOM 614 CA GLY A 47 -15.304 -16.794 5.864 1.00 0.00 C ATOM 615 C GLY A 47 -16.401 -15.904 5.277 1.00 0.00 C ATOM 616 O GLY A 47 -17.587 -16.146 5.498 1.00 0.00 O ATOM 0 H GLY A 47 -14.287 -16.519 4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.674 -17.815 5.964 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.047 -16.448 6.865 1.00 0.00 H new ATOM 620 N LEU A 48 -15.967 -14.893 4.539 1.00 0.00 N ATOM 621 CA LEU A 48 -16.897 -13.966 3.917 1.00 0.00 C ATOM 622 C LEU A 48 -17.683 -14.694 2.824 1.00 0.00 C ATOM 623 O LEU A 48 -17.258 -15.744 2.344 1.00 0.00 O ATOM 624 CB LEU A 48 -16.161 -12.721 3.419 1.00 0.00 C ATOM 625 CG LEU A 48 -15.864 -11.652 4.472 1.00 0.00 C ATOM 626 CD1 LEU A 48 -14.662 -10.798 4.062 1.00 0.00 C ATOM 627 CD2 LEU A 48 -17.103 -10.800 4.754 1.00 0.00 C ATOM 0 H LEU A 48 -14.983 -14.695 4.358 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.623 -13.608 4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.218 -13.035 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.753 -12.266 2.625 1.00 0.00 H new ATOM 0 HG LEU A 48 -15.600 -12.154 5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.472 -10.046 4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.784 -11.434 3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.873 -10.305 3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.864 -10.048 5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.422 -10.306 3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.907 -11.438 5.121 1.00 0.00 H new ATOM 639 N PRO A 49 -18.845 -14.093 2.454 1.00 0.00 N ATOM 640 CA PRO A 49 -19.694 -14.673 1.427 1.00 0.00 C ATOM 641 C PRO A 49 -19.097 -14.454 0.035 1.00 0.00 C ATOM 642 O PRO A 49 -18.084 -13.771 -0.110 1.00 0.00 O ATOM 643 CB PRO A 49 -21.045 -14.000 1.607 1.00 0.00 C ATOM 644 CG PRO A 49 -20.779 -12.741 2.416 1.00 0.00 C ATOM 645 CD PRO A 49 -19.380 -12.850 3.002 1.00 0.00 C ATOM 0 HA PRO A 49 -19.788 -15.755 1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -21.492 -13.758 0.643 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -21.743 -14.657 2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -20.860 -11.857 1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -21.518 -12.634 3.210 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -18.765 -11.996 2.720 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -19.408 -12.877 4.091 1.00 0.00 H new ATOM 653 N ASP A 50 -19.751 -15.047 -0.953 1.00 0.00 N ATOM 654 CA ASP A 50 -19.298 -14.925 -2.328 1.00 0.00 C ATOM 655 C ASP A 50 -19.690 -13.550 -2.871 1.00 0.00 C ATOM 656 O ASP A 50 -18.934 -12.936 -3.622 1.00 0.00 O ATOM 657 CB ASP A 50 -19.947 -15.987 -3.218 1.00 0.00 C ATOM 658 CG ASP A 50 -19.018 -16.617 -4.258 1.00 0.00 C ATOM 659 OD1 ASP A 50 -18.798 -17.837 -4.263 1.00 0.00 O ATOM 660 OD2 ASP A 50 -18.501 -15.787 -5.100 1.00 0.00 O ATOM 0 H ASP A 50 -20.590 -15.613 -0.829 1.00 0.00 H new ATOM 0 HA ASP A 50 -18.216 -15.057 -2.339 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -20.345 -16.778 -2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -20.794 -15.537 -3.735 1.00 0.00 H new ATOM 666 N LEU A 51 -20.872 -13.106 -2.468 1.00 0.00 N ATOM 667 CA LEU A 51 -21.374 -11.814 -2.904 1.00 0.00 C ATOM 668 C LEU A 51 -20.398 -10.719 -2.470 1.00 0.00 C ATOM 669 O LEU A 51 -19.809 -10.039 -3.309 1.00 0.00 O ATOM 670 CB LEU A 51 -22.803 -11.597 -2.403 1.00 0.00 C ATOM 671 CG LEU A 51 -23.110 -10.212 -1.830 1.00 0.00 C ATOM 672 CD1 LEU A 51 -22.816 -9.117 -2.856 1.00 0.00 C ATOM 673 CD2 LEU A 51 -24.548 -10.140 -1.311 1.00 0.00 C ATOM 0 H LEU A 51 -21.496 -13.618 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 51 -21.433 -11.776 -3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -23.489 -11.787 -3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -23.015 -12.341 -1.635 1.00 0.00 H new ATOM 0 HG LEU A 51 -22.451 -10.041 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -23.043 -8.143 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -21.763 -9.154 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -23.432 -9.273 -3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -24.740 -9.145 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -25.240 -10.341 -2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -24.689 -10.882 -0.525 1.00 0.00 H new ATOM 685 N ILE A 52 -20.256 -10.583 -1.160 1.00 0.00 N ATOM 686 CA ILE A 52 -19.361 -9.582 -0.604 1.00 0.00 C ATOM 687 C ILE A 52 -17.963 -9.769 -1.197 1.00 0.00 C ATOM 688 O ILE A 52 -17.257 -8.794 -1.452 1.00 0.00 O ATOM 689 CB ILE A 52 -19.392 -9.625 0.925 1.00 0.00 C ATOM 690 CG1 ILE A 52 -20.809 -9.389 1.452 1.00 0.00 C ATOM 691 CG2 ILE A 52 -18.386 -8.639 1.522 1.00 0.00 C ATOM 692 CD1 ILE A 52 -21.107 -7.893 1.571 1.00 0.00 C ATOM 0 H ILE A 52 -20.746 -11.149 -0.467 1.00 0.00 H new ATOM 0 HA ILE A 52 -19.692 -8.580 -0.878 1.00 0.00 H new ATOM 0 HB ILE A 52 -19.092 -10.623 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -21.532 -9.856 0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -20.923 -9.865 2.426 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.429 -8.690 2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -17.381 -8.896 1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.630 -7.628 1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -22.120 -7.753 1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -20.397 -7.434 2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -21.016 -7.425 0.591 1.00 0.00 H new ATOM 704 N LEU A 53 -17.604 -11.029 -1.398 1.00 0.00 N ATOM 705 CA LEU A 53 -16.303 -11.356 -1.955 1.00 0.00 C ATOM 706 C LEU A 53 -16.192 -10.766 -3.363 1.00 0.00 C ATOM 707 O LEU A 53 -15.226 -10.072 -3.675 1.00 0.00 O ATOM 708 CB LEU A 53 -16.061 -12.866 -1.900 1.00 0.00 C ATOM 709 CG LEU A 53 -15.368 -13.389 -0.640 1.00 0.00 C ATOM 710 CD1 LEU A 53 -15.413 -14.917 -0.584 1.00 0.00 C ATOM 711 CD2 LEU A 53 -13.938 -12.853 -0.538 1.00 0.00 C ATOM 0 H LEU A 53 -18.192 -11.835 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 53 -15.509 -10.907 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -17.022 -13.372 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -15.461 -13.150 -2.765 1.00 0.00 H new ATOM 0 HG LEU A 53 -15.913 -13.019 0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.914 -15.263 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -16.451 -15.250 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.907 -15.328 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.468 -13.240 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -13.367 -13.173 -1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -13.960 -11.764 -0.498 1.00 0.00 H new ATOM 723 N GLY A 54 -17.196 -11.065 -4.175 1.00 0.00 N ATOM 724 CA GLY A 54 -17.224 -10.573 -5.542 1.00 0.00 C ATOM 725 C GLY A 54 -16.722 -9.129 -5.616 1.00 0.00 C ATOM 726 O GLY A 54 -15.938 -8.785 -6.499 1.00 0.00 O ATOM 0 H GLY A 54 -17.995 -11.641 -3.912 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.605 -11.210 -6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -18.240 -10.629 -5.932 1.00 0.00 H new ATOM 730 N LYS A 55 -17.195 -8.324 -4.676 1.00 0.00 N ATOM 731 CA LYS A 55 -16.804 -6.925 -4.624 1.00 0.00 C ATOM 732 C LYS A 55 -15.289 -6.830 -4.437 1.00 0.00 C ATOM 733 O LYS A 55 -14.623 -6.054 -5.121 1.00 0.00 O ATOM 734 CB LYS A 55 -17.603 -6.186 -3.549 1.00 0.00 C ATOM 735 CG LYS A 55 -19.010 -5.848 -4.046 1.00 0.00 C ATOM 736 CD LYS A 55 -19.256 -4.338 -4.013 1.00 0.00 C ATOM 737 CE LYS A 55 -19.598 -3.869 -2.598 1.00 0.00 C ATOM 738 NZ LYS A 55 -19.224 -2.448 -2.418 1.00 0.00 N ATOM 0 H LYS A 55 -17.845 -8.613 -3.945 1.00 0.00 H new ATOM 0 HA LYS A 55 -17.041 -6.428 -5.564 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -17.669 -6.802 -2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.083 -5.270 -3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -19.139 -6.219 -5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.750 -6.354 -3.426 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.369 -3.814 -4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.071 -4.084 -4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -20.665 -3.996 -2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -19.073 -4.485 -1.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -19.463 -2.146 -1.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.202 -2.336 -2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -19.744 -1.863 -3.102 1.00 0.00 H new ATOM 749 N ILE A 56 -14.787 -7.631 -3.509 1.00 0.00 N ATOM 750 CA ILE A 56 -13.363 -7.647 -3.224 1.00 0.00 C ATOM 751 C ILE A 56 -12.592 -7.928 -4.516 1.00 0.00 C ATOM 752 O ILE A 56 -11.685 -7.179 -4.877 1.00 0.00 O ATOM 753 CB ILE A 56 -13.053 -8.634 -2.096 1.00 0.00 C ATOM 754 CG1 ILE A 56 -13.709 -8.193 -0.786 1.00 0.00 C ATOM 755 CG2 ILE A 56 -11.544 -8.834 -1.943 1.00 0.00 C ATOM 756 CD1 ILE A 56 -13.185 -9.014 0.393 1.00 0.00 C ATOM 0 H ILE A 56 -15.342 -8.274 -2.944 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.036 -6.672 -2.862 1.00 0.00 H new ATOM 0 HB ILE A 56 -13.481 -9.601 -2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -13.510 -7.135 -0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -14.791 -8.306 -0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -11.351 -9.540 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.133 -9.226 -2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -11.072 -7.879 -1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -13.667 -8.680 1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -13.407 -10.069 0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -12.107 -8.879 0.480 1.00 0.00 H new ATOM 768 N TRP A 57 -12.981 -9.008 -5.176 1.00 0.00 N ATOM 769 CA TRP A 57 -12.338 -9.397 -6.420 1.00 0.00 C ATOM 770 C TRP A 57 -12.403 -8.206 -7.378 1.00 0.00 C ATOM 771 O TRP A 57 -11.376 -7.755 -7.883 1.00 0.00 O ATOM 772 CB TRP A 57 -12.978 -10.662 -6.996 1.00 0.00 C ATOM 773 CG TRP A 57 -12.201 -11.277 -8.161 1.00 0.00 C ATOM 774 CD1 TRP A 57 -12.211 -10.905 -9.448 1.00 0.00 C ATOM 775 CD2 TRP A 57 -11.292 -12.396 -8.093 1.00 0.00 C ATOM 776 NE1 TRP A 57 -11.380 -11.698 -10.212 1.00 0.00 N ATOM 777 CE2 TRP A 57 -10.802 -12.634 -9.361 1.00 0.00 C ATOM 778 CE3 TRP A 57 -10.896 -13.181 -6.996 1.00 0.00 C ATOM 779 CZ2 TRP A 57 -9.891 -13.656 -9.652 1.00 0.00 C ATOM 780 CZ3 TRP A 57 -9.984 -14.198 -7.303 1.00 0.00 C ATOM 781 CH2 TRP A 57 -9.482 -14.451 -8.574 1.00 0.00 C ATOM 0 H TRP A 57 -13.734 -9.626 -4.873 1.00 0.00 H new ATOM 0 HA TRP A 57 -11.292 -9.651 -6.250 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -13.070 -11.404 -6.203 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -13.988 -10.426 -7.331 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.797 -10.086 -9.839 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -11.219 -11.613 -11.216 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -11.266 -13.013 -5.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -9.523 -13.823 -10.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -9.647 -14.830 -6.495 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -8.780 -15.257 -8.730 1.00 0.00 H new ATOM 792 N ASP A 58 -13.619 -7.729 -7.599 1.00 0.00 N ATOM 793 CA ASP A 58 -13.831 -6.599 -8.487 1.00 0.00 C ATOM 794 C ASP A 58 -12.797 -5.514 -8.179 1.00 0.00 C ATOM 795 O ASP A 58 -12.224 -4.920 -9.092 1.00 0.00 O ATOM 796 CB ASP A 58 -15.223 -5.996 -8.289 1.00 0.00 C ATOM 797 CG ASP A 58 -15.850 -5.392 -9.547 1.00 0.00 C ATOM 798 OD1 ASP A 58 -15.565 -4.242 -9.913 1.00 0.00 O ATOM 799 OD2 ASP A 58 -16.675 -6.164 -10.170 1.00 0.00 O ATOM 0 H ASP A 58 -14.468 -8.105 -7.178 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.735 -6.954 -9.513 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.887 -6.771 -7.906 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.162 -5.222 -7.524 1.00 0.00 H new ATOM 805 N LEU A 59 -12.590 -5.287 -6.890 1.00 0.00 N ATOM 806 CA LEU A 59 -11.636 -4.284 -6.451 1.00 0.00 C ATOM 807 C LEU A 59 -10.216 -4.826 -6.624 1.00 0.00 C ATOM 808 O LEU A 59 -9.281 -4.063 -6.865 1.00 0.00 O ATOM 809 CB LEU A 59 -11.952 -3.833 -5.023 1.00 0.00 C ATOM 810 CG LEU A 59 -10.885 -2.976 -4.339 1.00 0.00 C ATOM 811 CD1 LEU A 59 -9.741 -3.844 -3.810 1.00 0.00 C ATOM 812 CD2 LEU A 59 -10.383 -1.874 -5.275 1.00 0.00 C ATOM 0 H LEU A 59 -13.067 -5.781 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.713 -3.389 -7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.886 -3.271 -5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.124 -4.720 -4.413 1.00 0.00 H new ATOM 0 HG LEU A 59 -11.341 -2.485 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.996 -3.210 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.132 -4.559 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.279 -4.382 -4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.626 -1.280 -4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.949 -2.325 -6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.216 -1.232 -5.561 1.00 0.00 H new ATOM 824 N ALA A 60 -10.098 -6.139 -6.495 1.00 0.00 N ATOM 825 CA ALA A 60 -8.808 -6.793 -6.635 1.00 0.00 C ATOM 826 C ALA A 60 -8.382 -6.761 -8.104 1.00 0.00 C ATOM 827 O ALA A 60 -7.419 -6.084 -8.460 1.00 0.00 O ATOM 828 CB ALA A 60 -8.894 -8.217 -6.083 1.00 0.00 C ATOM 0 H ALA A 60 -10.875 -6.768 -6.295 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.046 -6.267 -6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.926 -8.707 -6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.171 -8.183 -5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.647 -8.777 -6.638 1.00 0.00 H new ATOM 834 N ASP A 61 -9.120 -7.503 -8.917 1.00 0.00 N ATOM 835 CA ASP A 61 -8.830 -7.568 -10.339 1.00 0.00 C ATOM 836 C ASP A 61 -8.417 -6.181 -10.836 1.00 0.00 C ATOM 837 O ASP A 61 -9.127 -5.202 -10.614 1.00 0.00 O ATOM 838 CB ASP A 61 -10.062 -8.007 -11.133 1.00 0.00 C ATOM 839 CG ASP A 61 -9.849 -8.130 -12.643 1.00 0.00 C ATOM 840 OD1 ASP A 61 -10.042 -7.164 -13.396 1.00 0.00 O ATOM 841 OD2 ASP A 61 -9.463 -9.293 -13.046 1.00 0.00 O ATOM 0 H ASP A 61 -9.918 -8.064 -8.618 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.029 -8.292 -10.486 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.399 -8.970 -10.749 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.866 -7.293 -10.952 1.00 0.00 H new ATOM 847 N THR A 62 -7.271 -6.142 -11.499 1.00 0.00 N ATOM 848 CA THR A 62 -6.755 -4.892 -12.029 1.00 0.00 C ATOM 849 C THR A 62 -6.041 -5.131 -13.361 1.00 0.00 C ATOM 850 O THR A 62 -6.251 -4.393 -14.323 1.00 0.00 O ATOM 851 CB THR A 62 -5.857 -4.261 -10.963 1.00 0.00 C ATOM 852 OG1 THR A 62 -6.760 -3.885 -9.927 1.00 0.00 O ATOM 853 CG2 THR A 62 -5.244 -2.936 -11.423 1.00 0.00 C ATOM 0 H THR A 62 -6.685 -6.957 -11.681 1.00 0.00 H new ATOM 0 HA THR A 62 -7.562 -4.193 -12.250 1.00 0.00 H new ATOM 0 HB THR A 62 -5.061 -4.957 -10.701 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.888 -4.639 -9.314 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.616 -2.531 -10.630 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.639 -3.105 -12.314 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.040 -2.228 -11.653 1.00 0.00 H new ATOM 861 N ASP A 63 -5.213 -6.165 -13.375 1.00 0.00 N ATOM 862 CA ASP A 63 -4.467 -6.510 -14.573 1.00 0.00 C ATOM 863 C ASP A 63 -5.418 -6.533 -15.772 1.00 0.00 C ATOM 864 O ASP A 63 -5.211 -5.811 -16.746 1.00 0.00 O ATOM 865 CB ASP A 63 -3.833 -7.897 -14.446 1.00 0.00 C ATOM 866 CG ASP A 63 -2.624 -8.140 -15.352 1.00 0.00 C ATOM 867 OD1 ASP A 63 -2.646 -7.815 -16.548 1.00 0.00 O ATOM 868 OD2 ASP A 63 -1.614 -8.697 -14.774 1.00 0.00 O ATOM 0 H ASP A 63 -5.042 -6.775 -12.576 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.683 -5.765 -14.708 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.528 -8.047 -13.410 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.591 -8.648 -14.667 1.00 0.00 H new ATOM 874 N GLY A 64 -6.439 -7.370 -15.661 1.00 0.00 N ATOM 875 CA GLY A 64 -7.422 -7.496 -16.723 1.00 0.00 C ATOM 876 C GLY A 64 -7.201 -8.780 -17.525 1.00 0.00 C ATOM 877 O GLY A 64 -6.579 -8.755 -18.586 1.00 0.00 O ATOM 0 H GLY A 64 -6.607 -7.968 -14.852 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.425 -7.497 -16.297 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.359 -6.633 -17.386 1.00 0.00 H new ATOM 881 N LYS A 65 -7.723 -9.873 -16.987 1.00 0.00 N ATOM 882 CA LYS A 65 -7.590 -11.165 -17.638 1.00 0.00 C ATOM 883 C LYS A 65 -8.022 -12.267 -16.669 1.00 0.00 C ATOM 884 O LYS A 65 -8.720 -13.202 -17.058 1.00 0.00 O ATOM 885 CB LYS A 65 -6.173 -11.347 -18.185 1.00 0.00 C ATOM 886 CG LYS A 65 -5.133 -10.810 -17.200 1.00 0.00 C ATOM 887 CD LYS A 65 -4.092 -11.880 -16.864 1.00 0.00 C ATOM 888 CE LYS A 65 -2.708 -11.480 -17.380 1.00 0.00 C ATOM 889 NZ LYS A 65 -2.072 -12.612 -18.089 1.00 0.00 N ATOM 0 H LYS A 65 -8.239 -9.890 -16.107 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.250 -11.225 -18.503 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.986 -12.404 -18.377 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.078 -10.828 -19.139 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.638 -9.938 -17.628 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.628 -10.480 -16.287 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.053 -12.028 -15.785 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.388 -12.832 -17.306 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.797 -10.626 -18.052 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.080 -11.166 -16.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.134 -12.323 -18.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.970 -13.416 -17.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.665 -12.893 -18.896 1.00 0.00 H new ATOM 900 N GLY A 66 -7.588 -12.120 -15.426 1.00 0.00 N ATOM 901 CA GLY A 66 -7.921 -13.092 -14.398 1.00 0.00 C ATOM 902 C GLY A 66 -6.772 -13.250 -13.400 1.00 0.00 C ATOM 903 O GLY A 66 -6.937 -12.987 -12.210 1.00 0.00 O ATOM 0 H GLY A 66 -7.009 -11.343 -15.107 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.823 -12.777 -13.873 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.141 -14.054 -14.860 1.00 0.00 H new ATOM 907 N VAL A 67 -5.632 -13.679 -13.922 1.00 0.00 N ATOM 908 CA VAL A 67 -4.456 -13.875 -13.092 1.00 0.00 C ATOM 909 C VAL A 67 -4.360 -12.737 -12.074 1.00 0.00 C ATOM 910 O VAL A 67 -4.775 -11.614 -12.353 1.00 0.00 O ATOM 911 CB VAL A 67 -3.210 -13.998 -13.972 1.00 0.00 C ATOM 912 CG1 VAL A 67 -1.991 -14.406 -13.142 1.00 0.00 C ATOM 913 CG2 VAL A 67 -3.444 -14.979 -15.121 1.00 0.00 C ATOM 0 H VAL A 67 -5.498 -13.896 -14.910 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.535 -14.806 -12.531 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.008 -13.018 -14.405 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.119 -14.486 -13.791 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.804 -13.654 -12.375 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.180 -15.369 -12.667 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.543 -15.047 -15.730 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.684 -15.962 -14.717 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.272 -14.628 -15.736 1.00 0.00 H new ATOM 923 N LEU A 68 -3.809 -13.068 -10.915 1.00 0.00 N ATOM 924 CA LEU A 68 -3.653 -12.088 -9.854 1.00 0.00 C ATOM 925 C LEU A 68 -2.210 -11.580 -9.842 1.00 0.00 C ATOM 926 O LEU A 68 -1.408 -11.959 -10.695 1.00 0.00 O ATOM 927 CB LEU A 68 -4.111 -12.670 -8.515 1.00 0.00 C ATOM 928 CG LEU A 68 -5.600 -13.004 -8.404 1.00 0.00 C ATOM 929 CD1 LEU A 68 -5.974 -13.370 -6.966 1.00 0.00 C ATOM 930 CD2 LEU A 68 -6.461 -11.861 -8.946 1.00 0.00 C ATOM 0 H LEU A 68 -3.465 -14.001 -10.688 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.293 -11.225 -10.036 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.540 -13.578 -8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.858 -11.960 -7.727 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.800 -13.879 -9.022 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.038 -13.603 -6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.397 -14.239 -6.650 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.755 -12.529 -6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.515 -12.125 -8.855 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.263 -10.954 -8.375 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.219 -11.689 -9.995 1.00 0.00 H new ATOM 942 N SER A 69 -1.922 -10.731 -8.867 1.00 0.00 N ATOM 943 CA SER A 69 -0.589 -10.168 -8.733 1.00 0.00 C ATOM 944 C SER A 69 -0.229 -10.023 -7.253 1.00 0.00 C ATOM 945 O SER A 69 -1.060 -10.271 -6.381 1.00 0.00 O ATOM 946 CB SER A 69 -0.490 -8.815 -9.439 1.00 0.00 C ATOM 947 OG SER A 69 -1.241 -8.787 -10.649 1.00 0.00 O ATOM 0 H SER A 69 -2.589 -10.419 -8.162 1.00 0.00 H new ATOM 0 HA SER A 69 0.119 -10.847 -9.207 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.849 -8.031 -8.772 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.555 -8.595 -9.656 1.00 0.00 H new ATOM 0 HG SER A 69 -2.085 -8.311 -10.499 1.00 0.00 H new ATOM 953 N LYS A 70 1.011 -9.622 -7.015 1.00 0.00 N ATOM 954 CA LYS A 70 1.492 -9.441 -5.656 1.00 0.00 C ATOM 955 C LYS A 70 0.483 -8.601 -4.871 1.00 0.00 C ATOM 956 O LYS A 70 -0.461 -9.138 -4.292 1.00 0.00 O ATOM 957 CB LYS A 70 2.906 -8.858 -5.661 1.00 0.00 C ATOM 958 CG LYS A 70 3.068 -7.821 -6.774 1.00 0.00 C ATOM 959 CD LYS A 70 3.935 -8.366 -7.911 1.00 0.00 C ATOM 960 CE LYS A 70 3.377 -7.951 -9.274 1.00 0.00 C ATOM 961 NZ LYS A 70 4.479 -7.646 -10.213 1.00 0.00 N ATOM 0 H LYS A 70 1.698 -9.417 -7.741 1.00 0.00 H new ATOM 0 HA LYS A 70 1.571 -10.402 -5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.116 -8.397 -4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.633 -9.659 -5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.088 -7.542 -7.161 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.520 -6.916 -6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.955 -7.997 -7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.981 -9.453 -7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.757 -8.751 -9.679 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.736 -7.077 -9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.084 -7.366 -11.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.054 -6.868 -9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.075 -8.490 -10.335 1.00 0.00 H new ATOM 972 N GLN A 71 0.716 -7.296 -4.876 1.00 0.00 N ATOM 973 CA GLN A 71 -0.161 -6.377 -4.171 1.00 0.00 C ATOM 974 C GLN A 71 -1.619 -6.817 -4.317 1.00 0.00 C ATOM 975 O GLN A 71 -2.343 -6.917 -3.327 1.00 0.00 O ATOM 976 CB GLN A 71 0.032 -4.944 -4.671 1.00 0.00 C ATOM 977 CG GLN A 71 0.458 -4.018 -3.530 1.00 0.00 C ATOM 978 CD GLN A 71 -0.372 -2.732 -3.528 1.00 0.00 C ATOM 979 OE1 GLN A 71 -1.027 -2.384 -4.497 1.00 0.00 O ATOM 980 NE2 GLN A 71 -0.307 -2.048 -2.389 1.00 0.00 N ATOM 0 H GLN A 71 1.499 -6.854 -5.357 1.00 0.00 H new ATOM 0 HA GLN A 71 0.099 -6.396 -3.113 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.786 -4.928 -5.458 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.896 -4.581 -5.112 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.340 -4.532 -2.576 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.515 -3.773 -3.632 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.261 -2.396 -1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.825 -1.175 -2.288 1.00 0.00 H new ATOM 989 N GLU A 72 -2.007 -7.068 -5.558 1.00 0.00 N ATOM 990 CA GLU A 72 -3.366 -7.495 -5.846 1.00 0.00 C ATOM 991 C GLU A 72 -3.839 -8.502 -4.796 1.00 0.00 C ATOM 992 O GLU A 72 -4.660 -8.173 -3.941 1.00 0.00 O ATOM 993 CB GLU A 72 -3.469 -8.083 -7.255 1.00 0.00 C ATOM 994 CG GLU A 72 -3.750 -6.988 -8.286 1.00 0.00 C ATOM 995 CD GLU A 72 -4.501 -7.553 -9.494 1.00 0.00 C ATOM 996 OE1 GLU A 72 -5.607 -8.091 -9.340 1.00 0.00 O ATOM 997 OE2 GLU A 72 -3.896 -7.416 -10.625 1.00 0.00 O ATOM 0 H GLU A 72 -1.404 -6.984 -6.376 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.017 -6.622 -5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.541 -8.596 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.264 -8.828 -7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.338 -6.193 -7.827 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.811 -6.542 -8.613 1.00 0.00 H new ATOM 1005 N PHE A 73 -3.301 -9.709 -4.895 1.00 0.00 N ATOM 1006 CA PHE A 73 -3.658 -10.766 -3.964 1.00 0.00 C ATOM 1007 C PHE A 73 -3.368 -10.348 -2.521 1.00 0.00 C ATOM 1008 O PHE A 73 -4.157 -10.625 -1.620 1.00 0.00 O ATOM 1009 CB PHE A 73 -2.796 -11.980 -4.314 1.00 0.00 C ATOM 1010 CG PHE A 73 -2.760 -13.053 -3.224 1.00 0.00 C ATOM 1011 CD1 PHE A 73 -2.074 -12.828 -2.071 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -3.415 -14.231 -3.407 1.00 0.00 C ATOM 1013 CE1 PHE A 73 -2.041 -13.824 -1.059 1.00 0.00 C ATOM 1014 CE2 PHE A 73 -3.381 -15.227 -2.395 1.00 0.00 C ATOM 1015 CZ PHE A 73 -2.695 -15.002 -1.242 1.00 0.00 C ATOM 0 H PHE A 73 -2.621 -9.978 -5.606 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.723 -10.987 -4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.171 -12.425 -5.236 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.778 -11.645 -4.513 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.555 -11.892 -1.925 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.961 -14.409 -4.322 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.496 -13.646 -0.144 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.900 -16.163 -2.541 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.670 -15.759 -0.472 1.00 0.00 H new ATOM 1025 N PHE A 74 -2.232 -9.687 -2.348 1.00 0.00 N ATOM 1026 CA PHE A 74 -1.827 -9.228 -1.030 1.00 0.00 C ATOM 1027 C PHE A 74 -2.823 -8.208 -0.475 1.00 0.00 C ATOM 1028 O PHE A 74 -2.833 -7.933 0.724 1.00 0.00 O ATOM 1029 CB PHE A 74 -0.462 -8.555 -1.190 1.00 0.00 C ATOM 1030 CG PHE A 74 0.714 -9.414 -0.721 1.00 0.00 C ATOM 1031 CD1 PHE A 74 1.166 -10.433 -1.500 1.00 0.00 C ATOM 1032 CD2 PHE A 74 1.307 -9.159 0.476 1.00 0.00 C ATOM 1033 CE1 PHE A 74 2.257 -11.230 -1.065 1.00 0.00 C ATOM 1034 CE2 PHE A 74 2.398 -9.956 0.912 1.00 0.00 C ATOM 1035 CZ PHE A 74 2.851 -10.974 0.132 1.00 0.00 C ATOM 0 H PHE A 74 -1.580 -9.459 -3.098 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.787 -10.070 -0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.316 -8.298 -2.239 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.462 -7.620 -0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.695 -10.636 -2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.948 -8.350 1.095 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.615 -12.039 -1.684 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.868 -9.754 1.863 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.682 -11.579 0.463 1.00 0.00 H new ATOM 1045 N VAL A 75 -3.637 -7.674 -1.374 1.00 0.00 N ATOM 1046 CA VAL A 75 -4.635 -6.690 -0.989 1.00 0.00 C ATOM 1047 C VAL A 75 -5.931 -7.407 -0.607 1.00 0.00 C ATOM 1048 O VAL A 75 -6.366 -7.341 0.542 1.00 0.00 O ATOM 1049 CB VAL A 75 -4.824 -5.670 -2.113 1.00 0.00 C ATOM 1050 CG1 VAL A 75 -6.241 -5.091 -2.095 1.00 0.00 C ATOM 1051 CG2 VAL A 75 -3.776 -4.558 -2.028 1.00 0.00 C ATOM 0 H VAL A 75 -3.626 -7.904 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.303 -6.131 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.685 -6.188 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.349 -4.369 -2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.964 -5.895 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.420 -4.596 -1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.934 -3.847 -2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.868 -4.044 -1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.779 -4.990 -2.113 1.00 0.00 H new ATOM 1061 N ALA A 76 -6.513 -8.075 -1.592 1.00 0.00 N ATOM 1062 CA ALA A 76 -7.751 -8.803 -1.374 1.00 0.00 C ATOM 1063 C ALA A 76 -7.634 -9.625 -0.089 1.00 0.00 C ATOM 1064 O ALA A 76 -8.639 -9.925 0.554 1.00 0.00 O ATOM 1065 CB ALA A 76 -8.055 -9.672 -2.596 1.00 0.00 C ATOM 0 H ALA A 76 -6.150 -8.127 -2.544 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.585 -8.113 -1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.984 -10.218 -2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.157 -9.038 -3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.241 -10.380 -2.751 1.00 0.00 H new ATOM 1071 N LEU A 77 -6.399 -9.966 0.247 1.00 0.00 N ATOM 1072 CA LEU A 77 -6.138 -10.748 1.444 1.00 0.00 C ATOM 1073 C LEU A 77 -6.620 -9.971 2.671 1.00 0.00 C ATOM 1074 O LEU A 77 -7.674 -10.274 3.227 1.00 0.00 O ATOM 1075 CB LEU A 77 -4.663 -11.149 1.511 1.00 0.00 C ATOM 1076 CG LEU A 77 -4.381 -12.632 1.763 1.00 0.00 C ATOM 1077 CD1 LEU A 77 -2.908 -12.859 2.108 1.00 0.00 C ATOM 1078 CD2 LEU A 77 -5.315 -13.191 2.839 1.00 0.00 C ATOM 0 H LEU A 77 -5.568 -9.715 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.698 -11.683 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.187 -10.863 0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.185 -10.569 2.301 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.584 -13.180 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.735 -13.921 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.284 -12.520 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.654 -12.298 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.095 -14.246 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.167 -12.644 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.350 -13.082 2.515 1.00 0.00 H new ATOM 1090 N ARG A 78 -5.824 -8.983 3.056 1.00 0.00 N ATOM 1091 CA ARG A 78 -6.157 -8.161 4.206 1.00 0.00 C ATOM 1092 C ARG A 78 -7.540 -7.532 4.027 1.00 0.00 C ATOM 1093 O ARG A 78 -8.300 -7.410 4.987 1.00 0.00 O ATOM 1094 CB ARG A 78 -5.122 -7.052 4.408 1.00 0.00 C ATOM 1095 CG ARG A 78 -3.813 -7.617 4.963 1.00 0.00 C ATOM 1096 CD ARG A 78 -4.067 -8.460 6.214 1.00 0.00 C ATOM 1097 NE ARG A 78 -4.239 -9.882 5.841 1.00 0.00 N ATOM 1098 CZ ARG A 78 -4.032 -10.916 6.684 1.00 0.00 C ATOM 1099 NH1 ARG A 78 -3.644 -10.695 7.958 1.00 0.00 N ATOM 1100 NH2 ARG A 78 -4.216 -12.147 6.244 1.00 0.00 N ATOM 0 H ARG A 78 -4.950 -8.734 2.592 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.159 -8.806 5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.932 -6.550 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.517 -6.301 5.092 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.324 -8.226 4.203 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.133 -6.800 5.203 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.233 -8.356 6.908 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.957 -8.101 6.730 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.532 -10.094 4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.505 -9.741 8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.490 -11.482 8.588 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.510 -12.305 5.280 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.064 -12.940 6.868 1.00 0.00 H new ATOM 1113 N LEU A 79 -7.825 -7.148 2.792 1.00 0.00 N ATOM 1114 CA LEU A 79 -9.103 -6.534 2.474 1.00 0.00 C ATOM 1115 C LEU A 79 -10.227 -7.342 3.126 1.00 0.00 C ATOM 1116 O LEU A 79 -11.167 -6.772 3.679 1.00 0.00 O ATOM 1117 CB LEU A 79 -9.259 -6.374 0.961 1.00 0.00 C ATOM 1118 CG LEU A 79 -10.128 -5.203 0.497 1.00 0.00 C ATOM 1119 CD1 LEU A 79 -9.776 -4.792 -0.934 1.00 0.00 C ATOM 1120 CD2 LEU A 79 -11.615 -5.529 0.650 1.00 0.00 C ATOM 0 H LEU A 79 -7.192 -7.250 1.999 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.154 -5.526 2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.267 -6.261 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.681 -7.295 0.560 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.918 -4.347 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.408 -3.958 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.730 -4.490 -0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.939 -5.635 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -12.210 -4.680 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.859 -6.405 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.837 -5.735 1.697 1.00 0.00 H new ATOM 1132 N VAL A 80 -10.094 -8.658 3.040 1.00 0.00 N ATOM 1133 CA VAL A 80 -11.087 -9.550 3.615 1.00 0.00 C ATOM 1134 C VAL A 80 -11.162 -9.317 5.125 1.00 0.00 C ATOM 1135 O VAL A 80 -12.248 -9.311 5.702 1.00 0.00 O ATOM 1136 CB VAL A 80 -10.763 -10.999 3.248 1.00 0.00 C ATOM 1137 CG1 VAL A 80 -11.573 -11.975 4.103 1.00 0.00 C ATOM 1138 CG2 VAL A 80 -10.994 -11.253 1.757 1.00 0.00 C ATOM 0 H VAL A 80 -9.314 -9.128 2.581 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.074 -9.338 3.205 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.707 -11.169 3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.324 -12.998 3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.336 -11.820 5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.637 -11.803 3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.756 -12.291 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.038 -11.056 1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -10.353 -10.593 1.172 1.00 0.00 H new ATOM 1148 N ALA A 81 -9.993 -9.132 5.722 1.00 0.00 N ATOM 1149 CA ALA A 81 -9.913 -8.900 7.154 1.00 0.00 C ATOM 1150 C ALA A 81 -10.705 -7.639 7.507 1.00 0.00 C ATOM 1151 O ALA A 81 -11.045 -7.421 8.669 1.00 0.00 O ATOM 1152 CB ALA A 81 -8.445 -8.802 7.573 1.00 0.00 C ATOM 0 H ALA A 81 -9.094 -9.138 5.240 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.355 -9.731 7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.384 -8.628 8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.933 -9.732 7.327 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.970 -7.976 7.044 1.00 0.00 H new ATOM 1158 N CYS A 82 -10.976 -6.843 6.483 1.00 0.00 N ATOM 1159 CA CYS A 82 -11.722 -5.610 6.671 1.00 0.00 C ATOM 1160 C CYS A 82 -13.202 -5.964 6.830 1.00 0.00 C ATOM 1161 O CYS A 82 -13.776 -5.781 7.902 1.00 0.00 O ATOM 1162 CB CYS A 82 -11.490 -4.628 5.522 1.00 0.00 C ATOM 1163 SG CYS A 82 -11.463 -2.913 6.160 1.00 0.00 S ATOM 0 H CYS A 82 -10.692 -7.028 5.521 1.00 0.00 H new ATOM 0 HA CYS A 82 -11.372 -5.103 7.570 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.547 -4.854 5.024 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -12.278 -4.735 4.777 1.00 0.00 H new ATOM 0 HG CYS A 82 -10.555 -2.229 5.528 1.00 0.00 H new ATOM 1169 N ALA A 83 -13.778 -6.463 5.746 1.00 0.00 N ATOM 1170 CA ALA A 83 -15.180 -6.844 5.751 1.00 0.00 C ATOM 1171 C ALA A 83 -15.465 -7.707 6.982 1.00 0.00 C ATOM 1172 O ALA A 83 -16.603 -7.779 7.443 1.00 0.00 O ATOM 1173 CB ALA A 83 -15.519 -7.563 4.443 1.00 0.00 C ATOM 0 H ALA A 83 -13.299 -6.612 4.858 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.817 -5.962 5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -16.571 -7.849 4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.327 -6.897 3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -14.901 -8.456 4.348 1.00 0.00 H new ATOM 1179 N GLN A 84 -14.412 -8.340 7.478 1.00 0.00 N ATOM 1180 CA GLN A 84 -14.535 -9.195 8.646 1.00 0.00 C ATOM 1181 C GLN A 84 -14.994 -8.378 9.856 1.00 0.00 C ATOM 1182 O GLN A 84 -15.390 -8.941 10.875 1.00 0.00 O ATOM 1183 CB GLN A 84 -13.218 -9.916 8.939 1.00 0.00 C ATOM 1184 CG GLN A 84 -12.964 -11.030 7.921 1.00 0.00 C ATOM 1185 CD GLN A 84 -13.008 -12.405 8.591 1.00 0.00 C ATOM 1186 OE1 GLN A 84 -13.039 -12.532 9.804 1.00 0.00 O ATOM 1187 NE2 GLN A 84 -13.009 -13.423 7.735 1.00 0.00 N ATOM 0 H GLN A 84 -13.470 -8.278 7.092 1.00 0.00 H new ATOM 0 HA GLN A 84 -15.288 -9.955 8.438 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.395 -9.202 8.915 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.245 -10.336 9.944 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.713 -10.983 7.130 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.992 -10.882 7.449 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.982 -13.245 6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.037 -14.382 8.083 1.00 0.00 H new ATOM 1196 N ASN A 85 -14.926 -7.064 9.703 1.00 0.00 N ATOM 1197 CA ASN A 85 -15.330 -6.164 10.770 1.00 0.00 C ATOM 1198 C ASN A 85 -16.552 -5.362 10.320 1.00 0.00 C ATOM 1199 O ASN A 85 -17.040 -4.503 11.053 1.00 0.00 O ATOM 1200 CB ASN A 85 -14.213 -5.174 11.107 1.00 0.00 C ATOM 1201 CG ASN A 85 -14.190 -4.864 12.605 1.00 0.00 C ATOM 1202 OD1 ASN A 85 -14.163 -5.745 13.448 1.00 0.00 O ATOM 1203 ND2 ASN A 85 -14.201 -3.564 12.888 1.00 0.00 N ATOM 0 H ASN A 85 -14.597 -6.601 8.856 1.00 0.00 H new ATOM 0 HA ASN A 85 -15.558 -6.765 11.650 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -13.251 -5.587 10.803 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -14.357 -4.252 10.543 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -14.187 -3.253 13.859 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -14.224 -2.878 12.134 1.00 0.00 H new ATOM 1210 N GLY A 86 -17.013 -5.672 9.116 1.00 0.00 N ATOM 1211 CA GLY A 86 -18.170 -4.991 8.560 1.00 0.00 C ATOM 1212 C GLY A 86 -17.757 -3.697 7.854 1.00 0.00 C ATOM 1213 O GLY A 86 -18.608 -2.889 7.485 1.00 0.00 O ATOM 0 H GLY A 86 -16.606 -6.385 8.511 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -18.679 -5.648 7.855 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -18.881 -4.765 9.355 1.00 0.00 H new ATOM 1217 N LEU A 87 -16.452 -3.543 7.686 1.00 0.00 N ATOM 1218 CA LEU A 87 -15.916 -2.362 7.031 1.00 0.00 C ATOM 1219 C LEU A 87 -16.090 -2.501 5.517 1.00 0.00 C ATOM 1220 O LEU A 87 -16.344 -3.595 5.016 1.00 0.00 O ATOM 1221 CB LEU A 87 -14.469 -2.118 7.464 1.00 0.00 C ATOM 1222 CG LEU A 87 -14.264 -1.725 8.928 1.00 0.00 C ATOM 1223 CD1 LEU A 87 -12.837 -2.033 9.384 1.00 0.00 C ATOM 1224 CD2 LEU A 87 -14.636 -0.259 9.159 1.00 0.00 C ATOM 0 H LEU A 87 -15.750 -4.217 7.992 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.469 -1.474 7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.894 -3.023 7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.050 -1.332 6.835 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.934 -2.328 9.541 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.718 -1.744 10.428 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.644 -3.101 9.279 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.130 -1.474 8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -14.481 -0.005 10.208 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.009 0.378 8.535 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.683 -0.104 8.899 1.00 0.00 H new ATOM 1236 N GLU A 88 -15.947 -1.376 4.831 1.00 0.00 N ATOM 1237 CA GLU A 88 -16.085 -1.359 3.385 1.00 0.00 C ATOM 1238 C GLU A 88 -15.389 -2.575 2.771 1.00 0.00 C ATOM 1239 O GLU A 88 -14.586 -3.234 3.430 1.00 0.00 O ATOM 1240 CB GLU A 88 -15.536 -0.058 2.797 1.00 0.00 C ATOM 1241 CG GLU A 88 -16.319 0.354 1.549 1.00 0.00 C ATOM 1242 CD GLU A 88 -16.549 1.866 1.520 1.00 0.00 C ATOM 1243 OE1 GLU A 88 -16.620 2.503 2.582 1.00 0.00 O ATOM 1244 OE2 GLU A 88 -16.655 2.380 0.342 1.00 0.00 O ATOM 0 H GLU A 88 -15.737 -0.470 5.250 1.00 0.00 H new ATOM 0 HA GLU A 88 -17.146 -1.410 3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.592 0.734 3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.483 -0.185 2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.774 0.048 0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -17.278 -0.164 1.530 1.00 0.00 H new ATOM 1252 N VAL A 89 -15.722 -2.836 1.515 1.00 0.00 N ATOM 1253 CA VAL A 89 -15.139 -3.961 0.804 1.00 0.00 C ATOM 1254 C VAL A 89 -14.155 -3.441 -0.246 1.00 0.00 C ATOM 1255 O VAL A 89 -13.455 -4.223 -0.887 1.00 0.00 O ATOM 1256 CB VAL A 89 -16.245 -4.833 0.207 1.00 0.00 C ATOM 1257 CG1 VAL A 89 -15.677 -6.151 -0.324 1.00 0.00 C ATOM 1258 CG2 VAL A 89 -17.355 -5.086 1.229 1.00 0.00 C ATOM 0 H VAL A 89 -16.388 -2.287 0.972 1.00 0.00 H new ATOM 0 HA VAL A 89 -14.577 -4.596 1.489 1.00 0.00 H new ATOM 0 HB VAL A 89 -16.681 -4.293 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -16.484 -6.752 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -14.939 -5.943 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -15.203 -6.698 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -18.129 -5.708 0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -16.940 -5.595 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -17.789 -4.135 1.538 1.00 0.00 H new ATOM 1268 N SER A 90 -14.133 -2.124 -0.389 1.00 0.00 N ATOM 1269 CA SER A 90 -13.246 -1.491 -1.350 1.00 0.00 C ATOM 1270 C SER A 90 -11.942 -1.075 -0.665 1.00 0.00 C ATOM 1271 O SER A 90 -11.842 -1.111 0.560 1.00 0.00 O ATOM 1272 CB SER A 90 -13.915 -0.277 -1.999 1.00 0.00 C ATOM 1273 OG SER A 90 -14.746 -0.648 -3.095 1.00 0.00 O ATOM 0 H SER A 90 -14.715 -1.478 0.144 1.00 0.00 H new ATOM 0 HA SER A 90 -13.022 -2.213 -2.135 1.00 0.00 H new ATOM 0 HB2 SER A 90 -14.511 0.250 -1.254 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.149 0.418 -2.344 1.00 0.00 H new ATOM 0 HG SER A 90 -15.156 0.154 -3.481 1.00 0.00 H new ATOM 1279 N LEU A 91 -10.976 -0.691 -1.486 1.00 0.00 N ATOM 1280 CA LEU A 91 -9.683 -0.269 -0.975 1.00 0.00 C ATOM 1281 C LEU A 91 -9.883 0.859 0.038 1.00 0.00 C ATOM 1282 O LEU A 91 -9.004 1.128 0.855 1.00 0.00 O ATOM 1283 CB LEU A 91 -8.745 0.097 -2.127 1.00 0.00 C ATOM 1284 CG LEU A 91 -7.632 -0.907 -2.431 1.00 0.00 C ATOM 1285 CD1 LEU A 91 -6.680 -0.364 -3.499 1.00 0.00 C ATOM 1286 CD2 LEU A 91 -6.891 -1.307 -1.154 1.00 0.00 C ATOM 0 H LEU A 91 -11.063 -0.663 -2.502 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.196 -1.089 -0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.343 0.230 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.287 1.061 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.088 -1.810 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.898 -1.097 -3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.235 -0.170 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.227 0.563 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.105 -2.022 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.448 -0.422 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.592 -1.763 -0.455 1.00 0.00 H new ATOM 1298 N SER A 92 -11.045 1.490 -0.049 1.00 0.00 N ATOM 1299 CA SER A 92 -11.372 2.584 0.850 1.00 0.00 C ATOM 1300 C SER A 92 -11.534 2.057 2.278 1.00 0.00 C ATOM 1301 O SER A 92 -11.694 2.836 3.216 1.00 0.00 O ATOM 1302 CB SER A 92 -12.646 3.303 0.403 1.00 0.00 C ATOM 1303 OG SER A 92 -12.364 4.407 -0.453 1.00 0.00 O ATOM 0 H SER A 92 -11.772 1.265 -0.728 1.00 0.00 H new ATOM 0 HA SER A 92 -10.553 3.303 0.825 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.296 2.599 -0.116 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.191 3.654 1.280 1.00 0.00 H new ATOM 0 HG SER A 92 -13.203 4.838 -0.718 1.00 0.00 H new ATOM 1309 N SER A 93 -11.486 0.739 2.397 1.00 0.00 N ATOM 1310 CA SER A 93 -11.625 0.099 3.694 1.00 0.00 C ATOM 1311 C SER A 93 -10.244 -0.171 4.295 1.00 0.00 C ATOM 1312 O SER A 93 -10.124 -0.436 5.490 1.00 0.00 O ATOM 1313 CB SER A 93 -12.420 -1.203 3.584 1.00 0.00 C ATOM 1314 OG SER A 93 -13.480 -1.264 4.534 1.00 0.00 O ATOM 0 H SER A 93 -11.353 0.096 1.616 1.00 0.00 H new ATOM 0 HA SER A 93 -12.174 0.773 4.351 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.829 -1.294 2.578 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.750 -2.050 3.733 1.00 0.00 H new ATOM 0 HG SER A 93 -13.240 -1.885 5.253 1.00 0.00 H new ATOM 1320 N LEU A 94 -9.236 -0.095 3.438 1.00 0.00 N ATOM 1321 CA LEU A 94 -7.868 -0.329 3.870 1.00 0.00 C ATOM 1322 C LEU A 94 -7.265 0.985 4.372 1.00 0.00 C ATOM 1323 O LEU A 94 -7.929 2.020 4.363 1.00 0.00 O ATOM 1324 CB LEU A 94 -7.059 -0.989 2.751 1.00 0.00 C ATOM 1325 CG LEU A 94 -7.083 -2.518 2.719 1.00 0.00 C ATOM 1326 CD1 LEU A 94 -6.046 -3.062 1.735 1.00 0.00 C ATOM 1327 CD2 LEU A 94 -6.902 -3.100 4.122 1.00 0.00 C ATOM 0 H LEU A 94 -9.339 0.125 2.447 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.846 -1.030 4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.430 -0.619 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.022 -0.663 2.838 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.063 -2.836 2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.084 -4.151 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.263 -2.688 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.051 -2.735 2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.923 -4.189 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.945 -2.775 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.709 -2.752 4.767 1.00 0.00 H new ATOM 1339 N SER A 95 -6.013 0.900 4.798 1.00 0.00 N ATOM 1340 CA SER A 95 -5.314 2.068 5.303 1.00 0.00 C ATOM 1341 C SER A 95 -5.687 2.310 6.767 1.00 0.00 C ATOM 1342 O SER A 95 -5.239 3.282 7.373 1.00 0.00 O ATOM 1343 CB SER A 95 -5.632 3.307 4.463 1.00 0.00 C ATOM 1344 OG SER A 95 -6.749 4.028 4.976 1.00 0.00 O ATOM 0 H SER A 95 -5.465 0.040 4.803 1.00 0.00 H new ATOM 0 HA SER A 95 -4.242 1.880 5.234 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.760 3.960 4.436 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.836 3.006 3.436 1.00 0.00 H new ATOM 0 HG SER A 95 -7.575 3.542 4.770 1.00 0.00 H new ATOM 1350 N LEU A 96 -6.503 1.408 7.293 1.00 0.00 N ATOM 1351 CA LEU A 96 -6.941 1.511 8.674 1.00 0.00 C ATOM 1352 C LEU A 96 -6.351 0.352 9.480 1.00 0.00 C ATOM 1353 O LEU A 96 -5.442 -0.334 9.013 1.00 0.00 O ATOM 1354 CB LEU A 96 -8.467 1.596 8.747 1.00 0.00 C ATOM 1355 CG LEU A 96 -9.179 1.996 7.453 1.00 0.00 C ATOM 1356 CD1 LEU A 96 -10.658 1.604 7.497 1.00 0.00 C ATOM 1357 CD2 LEU A 96 -8.990 3.486 7.161 1.00 0.00 C ATOM 0 H LEU A 96 -6.872 0.603 6.787 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.571 2.433 9.123 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -8.850 0.626 9.064 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.734 2.314 9.522 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.724 1.446 6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.141 1.900 6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.745 0.525 7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.143 2.108 8.333 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.506 3.744 6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -9.402 4.073 7.982 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.927 3.704 7.057 1.00 0.00 H new ATOM 1369 N ALA A 97 -6.890 0.169 10.676 1.00 0.00 N ATOM 1370 CA ALA A 97 -6.428 -0.895 11.551 1.00 0.00 C ATOM 1371 C ALA A 97 -7.381 -2.087 11.444 1.00 0.00 C ATOM 1372 O ALA A 97 -7.930 -2.539 12.447 1.00 0.00 O ATOM 1373 CB ALA A 97 -6.314 -0.366 12.982 1.00 0.00 C ATOM 0 H ALA A 97 -7.643 0.740 11.060 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.438 -1.237 11.250 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.967 -1.164 13.638 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.604 0.460 13.009 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.290 -0.017 13.320 1.00 0.00 H new ATOM 1379 N VAL A 98 -7.548 -2.563 10.218 1.00 0.00 N ATOM 1380 CA VAL A 98 -8.424 -3.694 9.967 1.00 0.00 C ATOM 1381 C VAL A 98 -8.044 -4.845 10.900 1.00 0.00 C ATOM 1382 O VAL A 98 -6.871 -5.024 11.225 1.00 0.00 O ATOM 1383 CB VAL A 98 -8.370 -4.080 8.488 1.00 0.00 C ATOM 1384 CG1 VAL A 98 -8.757 -2.897 7.598 1.00 0.00 C ATOM 1385 CG2 VAL A 98 -6.988 -4.619 8.113 1.00 0.00 C ATOM 0 H VAL A 98 -7.091 -2.185 9.388 1.00 0.00 H new ATOM 0 HA VAL A 98 -9.459 -3.430 10.182 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.097 -4.875 8.322 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -8.710 -3.198 6.552 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.771 -2.577 7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.066 -2.072 7.769 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.976 -4.886 7.056 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.235 -3.854 8.302 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.767 -5.502 8.713 1.00 0.00 H new ATOM 1395 N PRO A 99 -9.085 -5.616 11.316 1.00 0.00 N ATOM 1396 CA PRO A 99 -8.871 -6.745 12.206 1.00 0.00 C ATOM 1397 C PRO A 99 -8.253 -7.925 11.454 1.00 0.00 C ATOM 1398 O PRO A 99 -8.103 -7.879 10.234 1.00 0.00 O ATOM 1399 CB PRO A 99 -10.244 -7.059 12.779 1.00 0.00 C ATOM 1400 CG PRO A 99 -11.246 -6.402 11.844 1.00 0.00 C ATOM 1401 CD PRO A 99 -10.487 -5.433 10.952 1.00 0.00 C ATOM 0 HA PRO A 99 -8.162 -6.524 13.004 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.408 -8.135 12.833 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.342 -6.670 13.793 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -11.757 -7.154 11.243 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -12.012 -5.876 12.414 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -10.654 -5.651 9.897 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -10.809 -4.405 11.120 1.00 0.00 H new ATOM 1409 N PRO A 100 -7.901 -8.982 12.234 1.00 0.00 N ATOM 1410 CA PRO A 100 -7.302 -10.173 11.655 1.00 0.00 C ATOM 1411 C PRO A 100 -8.351 -11.015 10.926 1.00 0.00 C ATOM 1412 O PRO A 100 -9.495 -11.109 11.369 1.00 0.00 O ATOM 1413 CB PRO A 100 -6.665 -10.902 12.827 1.00 0.00 C ATOM 1414 CG PRO A 100 -7.324 -10.340 14.076 1.00 0.00 C ATOM 1415 CD PRO A 100 -8.064 -9.072 13.682 1.00 0.00 C ATOM 0 HA PRO A 100 -6.557 -9.942 10.894 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -6.825 -11.978 12.751 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.587 -10.741 12.848 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.014 -11.067 14.504 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -6.575 -10.124 14.838 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.117 -9.126 13.959 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -7.647 -8.198 14.182 1.00 0.00 H new ATOM 1423 N PRO A 101 -7.913 -11.623 9.792 1.00 0.00 N ATOM 1424 CA PRO A 101 -8.800 -12.455 8.997 1.00 0.00 C ATOM 1425 C PRO A 101 -9.035 -13.807 9.672 1.00 0.00 C ATOM 1426 O PRO A 101 -8.753 -13.970 10.858 1.00 0.00 O ATOM 1427 CB PRO A 101 -8.119 -12.577 7.644 1.00 0.00 C ATOM 1428 CG PRO A 101 -6.664 -12.202 7.874 1.00 0.00 C ATOM 1429 CD PRO A 101 -6.565 -11.535 9.237 1.00 0.00 C ATOM 0 HA PRO A 101 -9.795 -12.024 8.889 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.204 -13.591 7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.582 -11.915 6.913 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.031 -13.088 7.836 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.315 -11.527 7.092 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.841 -12.042 9.874 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.240 -10.498 9.148 1.00 0.00 H new ATOM 1437 N ARG A 102 -9.549 -14.743 8.887 1.00 0.00 N ATOM 1438 CA ARG A 102 -9.824 -16.077 9.395 1.00 0.00 C ATOM 1439 C ARG A 102 -8.702 -17.038 8.998 1.00 0.00 C ATOM 1440 O ARG A 102 -8.412 -17.990 9.720 1.00 0.00 O ATOM 1441 CB ARG A 102 -11.155 -16.607 8.856 1.00 0.00 C ATOM 1442 CG ARG A 102 -11.926 -17.359 9.942 1.00 0.00 C ATOM 1443 CD ARG A 102 -13.429 -17.095 9.831 1.00 0.00 C ATOM 1444 NE ARG A 102 -14.184 -18.183 10.491 1.00 0.00 N ATOM 1445 CZ ARG A 102 -14.490 -19.359 9.902 1.00 0.00 C ATOM 1446 NH1 ARG A 102 -14.107 -19.608 8.631 1.00 0.00 N ATOM 1447 NH2 ARG A 102 -15.169 -20.260 10.586 1.00 0.00 N ATOM 0 H ARG A 102 -9.782 -14.604 7.904 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.884 -16.013 10.481 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.757 -15.778 8.486 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.971 -17.270 8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.734 -18.428 9.855 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -11.571 -17.050 10.925 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -13.674 -16.139 10.294 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.718 -17.025 8.782 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.493 -18.035 11.452 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.583 -18.905 8.109 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -14.342 -20.499 8.193 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -15.455 -20.063 11.545 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.408 -21.153 10.156 1.00 0.00 H new ATOM 1460 N PHE A 103 -8.102 -16.755 7.851 1.00 0.00 N ATOM 1461 CA PHE A 103 -7.018 -17.583 7.350 1.00 0.00 C ATOM 1462 C PHE A 103 -6.099 -18.032 8.488 1.00 0.00 C ATOM 1463 O PHE A 103 -6.107 -17.440 9.567 1.00 0.00 O ATOM 1464 CB PHE A 103 -6.215 -16.724 6.371 1.00 0.00 C ATOM 1465 CG PHE A 103 -7.077 -15.949 5.372 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -7.808 -16.618 4.441 1.00 0.00 C ATOM 1467 CD2 PHE A 103 -7.113 -14.590 5.417 1.00 0.00 C ATOM 1468 CE1 PHE A 103 -8.608 -15.898 3.514 1.00 0.00 C ATOM 1469 CE2 PHE A 103 -7.913 -13.870 4.490 1.00 0.00 C ATOM 1470 CZ PHE A 103 -8.643 -14.539 3.559 1.00 0.00 C ATOM 0 H PHE A 103 -8.346 -15.964 7.255 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.422 -18.475 6.872 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.608 -16.017 6.937 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.527 -17.365 5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.780 -17.697 4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.533 -14.059 6.157 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.188 -16.429 2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.941 -12.791 4.525 1.00 0.00 H new ATOM 0 HZ PHE A 103 -9.251 -13.991 2.854 1.00 0.00 H new ATOM 1480 N HIS A 104 -5.329 -19.073 8.209 1.00 0.00 N ATOM 1481 CA HIS A 104 -4.407 -19.608 9.196 1.00 0.00 C ATOM 1482 C HIS A 104 -3.311 -18.580 9.484 1.00 0.00 C ATOM 1483 O HIS A 104 -3.160 -17.606 8.748 1.00 0.00 O ATOM 1484 CB HIS A 104 -3.848 -20.958 8.742 1.00 0.00 C ATOM 1485 CG HIS A 104 -4.581 -22.149 9.313 1.00 0.00 C ATOM 1486 ND1 HIS A 104 -4.804 -23.308 8.591 1.00 0.00 N ATOM 1487 CD2 HIS A 104 -5.137 -22.348 10.543 1.00 0.00 C ATOM 1488 CE1 HIS A 104 -5.467 -24.159 9.361 1.00 0.00 C ATOM 1489 NE2 HIS A 104 -5.672 -23.562 10.570 1.00 0.00 N ATOM 0 H HIS A 104 -5.325 -19.561 7.313 1.00 0.00 H new ATOM 0 HA HIS A 104 -4.937 -19.795 10.130 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -3.886 -21.008 7.654 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -2.798 -21.019 9.027 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -5.141 -21.638 11.357 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -5.788 -25.151 9.080 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -6.157 -23.980 11.364 1.00 0.00 H new ATOM 1497 N ASP A 105 -2.575 -18.831 10.557 1.00 0.00 N ATOM 1498 CA ASP A 105 -1.498 -17.940 10.951 1.00 0.00 C ATOM 1499 C ASP A 105 -0.370 -18.022 9.921 1.00 0.00 C ATOM 1500 O ASP A 105 0.502 -18.884 10.017 1.00 0.00 O ATOM 1501 CB ASP A 105 -0.924 -18.338 12.313 1.00 0.00 C ATOM 1502 CG ASP A 105 -0.913 -19.841 12.595 1.00 0.00 C ATOM 1503 OD1 ASP A 105 -0.141 -20.599 11.989 1.00 0.00 O ATOM 1504 OD2 ASP A 105 -1.753 -20.234 13.492 1.00 0.00 O ATOM 0 H ASP A 105 -2.704 -19.639 11.166 1.00 0.00 H new ATOM 0 HA ASP A 105 -1.902 -16.929 11.011 1.00 0.00 H new ATOM 0 HB2 ASP A 105 0.097 -17.963 12.384 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -1.501 -17.841 13.093 1.00 0.00 H new