USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 12:sc= 0.138! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.04 K(o=-1,f=-4.9!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -165:sc= 0 (180deg=-0.256) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.093 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0429 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.596 K(o=0.6,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 46:sc= 0.349 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -43.403 43.661 -23.779 1.00 0.00 N ATOM 2 CA GLY A 1 -42.032 43.193 -23.891 1.00 0.00 C ATOM 3 C GLY A 1 -41.959 41.671 -23.749 1.00 0.00 C ATOM 4 O GLY A 1 -42.413 40.939 -24.627 1.00 0.00 O ATOM 0 H1 GLY A 1 -43.426 44.696 -23.879 1.00 0.00 H new ATOM 0 H2 GLY A 1 -43.980 43.228 -24.528 1.00 0.00 H new ATOM 0 H3 GLY A 1 -43.786 43.394 -22.850 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -41.619 43.492 -24.855 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -41.419 43.663 -23.122 1.00 0.00 H new ATOM 8 N SER A 2 -41.384 41.240 -22.636 1.00 0.00 N ATOM 9 CA SER A 2 -41.245 39.819 -22.367 1.00 0.00 C ATOM 10 C SER A 2 -40.380 39.164 -23.446 1.00 0.00 C ATOM 11 O SER A 2 -40.736 39.174 -24.623 1.00 0.00 O ATOM 12 CB SER A 2 -42.612 39.136 -22.297 1.00 0.00 C ATOM 13 OG SER A 2 -43.284 39.411 -21.071 1.00 0.00 O ATOM 0 H SER A 2 -41.009 41.850 -21.910 1.00 0.00 H new ATOM 0 HA SER A 2 -40.759 39.700 -21.399 1.00 0.00 H new ATOM 0 HB2 SER A 2 -43.228 39.472 -23.131 1.00 0.00 H new ATOM 0 HB3 SER A 2 -42.485 38.059 -22.407 1.00 0.00 H new ATOM 0 HG SER A 2 -44.153 38.959 -21.066 1.00 0.00 H new ATOM 19 N SER A 3 -39.259 38.611 -23.006 1.00 0.00 N ATOM 20 CA SER A 3 -38.341 37.953 -23.919 1.00 0.00 C ATOM 21 C SER A 3 -37.231 37.253 -23.131 1.00 0.00 C ATOM 22 O SER A 3 -36.569 37.873 -22.300 1.00 0.00 O ATOM 23 CB SER A 3 -37.739 38.952 -24.910 1.00 0.00 C ATOM 24 OG SER A 3 -36.637 39.660 -24.350 1.00 0.00 O ATOM 0 H SER A 3 -38.966 38.605 -22.029 1.00 0.00 H new ATOM 0 HA SER A 3 -38.899 37.209 -24.488 1.00 0.00 H new ATOM 0 HB2 SER A 3 -37.413 38.423 -25.805 1.00 0.00 H new ATOM 0 HB3 SER A 3 -38.506 39.662 -25.221 1.00 0.00 H new ATOM 0 HG SER A 3 -36.364 39.231 -23.512 1.00 0.00 H new ATOM 30 N GLY A 4 -37.062 35.971 -23.421 1.00 0.00 N ATOM 31 CA GLY A 4 -36.044 35.180 -22.750 1.00 0.00 C ATOM 32 C GLY A 4 -36.654 33.932 -22.108 1.00 0.00 C ATOM 33 O GLY A 4 -37.821 33.937 -21.719 1.00 0.00 O ATOM 0 H GLY A 4 -37.613 35.461 -24.111 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -35.276 34.887 -23.466 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -35.554 35.784 -21.986 1.00 0.00 H new ATOM 37 N SER A 5 -35.837 32.893 -22.018 1.00 0.00 N ATOM 38 CA SER A 5 -36.281 31.641 -21.430 1.00 0.00 C ATOM 39 C SER A 5 -35.131 30.632 -21.416 1.00 0.00 C ATOM 40 O SER A 5 -34.217 30.717 -22.235 1.00 0.00 O ATOM 41 CB SER A 5 -37.479 31.070 -22.191 1.00 0.00 C ATOM 42 OG SER A 5 -37.958 29.862 -21.605 1.00 0.00 O ATOM 0 H SER A 5 -34.870 32.893 -22.342 1.00 0.00 H new ATOM 0 HA SER A 5 -36.596 31.837 -20.405 1.00 0.00 H new ATOM 0 HB2 SER A 5 -38.282 31.807 -22.209 1.00 0.00 H new ATOM 0 HB3 SER A 5 -37.195 30.883 -23.226 1.00 0.00 H new ATOM 0 HG SER A 5 -38.724 29.530 -22.119 1.00 0.00 H new ATOM 48 N SER A 6 -35.215 29.700 -20.479 1.00 0.00 N ATOM 49 CA SER A 6 -34.192 28.676 -20.348 1.00 0.00 C ATOM 50 C SER A 6 -34.601 27.662 -19.277 1.00 0.00 C ATOM 51 O SER A 6 -35.458 27.947 -18.442 1.00 0.00 O ATOM 52 CB SER A 6 -32.835 29.293 -20.004 1.00 0.00 C ATOM 53 OG SER A 6 -31.800 28.817 -20.859 1.00 0.00 O ATOM 0 H SER A 6 -35.976 29.632 -19.803 1.00 0.00 H new ATOM 0 HA SER A 6 -34.095 28.165 -21.306 1.00 0.00 H new ATOM 0 HB2 SER A 6 -32.900 30.378 -20.083 1.00 0.00 H new ATOM 0 HB3 SER A 6 -32.584 29.063 -18.968 1.00 0.00 H new ATOM 0 HG SER A 6 -30.950 29.236 -20.608 1.00 0.00 H new ATOM 59 N GLY A 7 -33.968 26.500 -19.336 1.00 0.00 N ATOM 60 CA GLY A 7 -34.255 25.442 -18.382 1.00 0.00 C ATOM 61 C GLY A 7 -33.591 24.129 -18.803 1.00 0.00 C ATOM 62 O GLY A 7 -33.714 23.708 -19.952 1.00 0.00 O ATOM 0 H GLY A 7 -33.257 26.268 -20.030 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -33.900 25.733 -17.393 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -35.333 25.300 -18.304 1.00 0.00 H new ATOM 66 N THR A 8 -32.903 23.519 -17.849 1.00 0.00 N ATOM 67 CA THR A 8 -32.220 22.263 -18.106 1.00 0.00 C ATOM 68 C THR A 8 -32.504 21.262 -16.985 1.00 0.00 C ATOM 69 O THR A 8 -32.743 21.654 -15.844 1.00 0.00 O ATOM 70 CB THR A 8 -30.731 22.563 -18.290 1.00 0.00 C ATOM 71 OG1 THR A 8 -30.653 23.157 -19.583 1.00 0.00 O ATOM 72 CG2 THR A 8 -29.888 21.292 -18.413 1.00 0.00 C ATOM 0 H THR A 8 -32.804 23.871 -16.897 1.00 0.00 H new ATOM 0 HA THR A 8 -32.587 21.793 -19.019 1.00 0.00 H new ATOM 0 HB THR A 8 -30.374 23.155 -17.447 1.00 0.00 H new ATOM 0 HG1 THR A 8 -29.721 23.385 -19.783 1.00 0.00 H new ATOM 0 HG21 THR A 8 -28.840 21.562 -18.542 1.00 0.00 H new ATOM 0 HG22 THR A 8 -30.000 20.692 -17.510 1.00 0.00 H new ATOM 0 HG23 THR A 8 -30.223 20.715 -19.275 1.00 0.00 H new ATOM 80 N SER A 9 -32.468 19.988 -17.348 1.00 0.00 N ATOM 81 CA SER A 9 -32.719 18.928 -16.387 1.00 0.00 C ATOM 82 C SER A 9 -31.428 18.154 -16.113 1.00 0.00 C ATOM 83 O SER A 9 -30.574 18.035 -16.990 1.00 0.00 O ATOM 84 CB SER A 9 -33.811 17.980 -16.885 1.00 0.00 C ATOM 85 OG SER A 9 -34.206 17.047 -15.882 1.00 0.00 O ATOM 0 H SER A 9 -32.269 19.666 -18.295 1.00 0.00 H new ATOM 0 HA SER A 9 -33.066 19.383 -15.459 1.00 0.00 H new ATOM 0 HB2 SER A 9 -34.678 18.560 -17.202 1.00 0.00 H new ATOM 0 HB3 SER A 9 -33.451 17.440 -17.761 1.00 0.00 H new ATOM 0 HG SER A 9 -34.906 16.461 -16.238 1.00 0.00 H new ATOM 91 N SER A 10 -31.326 17.648 -14.893 1.00 0.00 N ATOM 92 CA SER A 10 -30.154 16.889 -14.493 1.00 0.00 C ATOM 93 C SER A 10 -30.505 15.404 -14.381 1.00 0.00 C ATOM 94 O SER A 10 -31.517 15.045 -13.781 1.00 0.00 O ATOM 95 CB SER A 10 -29.591 17.402 -13.166 1.00 0.00 C ATOM 96 OG SER A 10 -28.286 17.953 -13.317 1.00 0.00 O ATOM 0 H SER A 10 -32.036 17.749 -14.168 1.00 0.00 H new ATOM 0 HA SER A 10 -29.387 17.018 -15.256 1.00 0.00 H new ATOM 0 HB2 SER A 10 -30.259 18.160 -12.757 1.00 0.00 H new ATOM 0 HB3 SER A 10 -29.558 16.584 -12.446 1.00 0.00 H new ATOM 0 HG SER A 10 -27.963 18.271 -12.448 1.00 0.00 H new ATOM 102 N ASN A 11 -29.649 14.580 -14.968 1.00 0.00 N ATOM 103 CA ASN A 11 -29.856 13.142 -14.942 1.00 0.00 C ATOM 104 C ASN A 11 -28.512 12.434 -15.123 1.00 0.00 C ATOM 105 O ASN A 11 -27.577 13.004 -15.683 1.00 0.00 O ATOM 106 CB ASN A 11 -30.781 12.699 -16.077 1.00 0.00 C ATOM 107 CG ASN A 11 -30.187 13.059 -17.441 1.00 0.00 C ATOM 108 OD1 ASN A 11 -29.406 13.985 -17.581 1.00 0.00 O ATOM 109 ND2 ASN A 11 -30.601 12.278 -18.434 1.00 0.00 N ATOM 0 H ASN A 11 -28.810 14.881 -15.465 1.00 0.00 H new ATOM 0 HA ASN A 11 -30.310 12.883 -13.985 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -30.943 11.623 -16.020 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -31.755 13.175 -15.964 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -30.263 12.437 -19.383 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -31.257 11.519 -18.247 1.00 0.00 H new ATOM 116 N PRO A 12 -28.457 11.170 -14.625 1.00 0.00 N ATOM 117 CA PRO A 12 -27.243 10.378 -14.726 1.00 0.00 C ATOM 118 C PRO A 12 -27.042 9.862 -16.152 1.00 0.00 C ATOM 119 O PRO A 12 -25.938 9.929 -16.690 1.00 0.00 O ATOM 120 CB PRO A 12 -27.416 9.261 -13.709 1.00 0.00 C ATOM 121 CG PRO A 12 -28.905 9.197 -13.410 1.00 0.00 C ATOM 122 CD PRO A 12 -29.545 10.463 -13.955 1.00 0.00 C ATOM 0 HA PRO A 12 -26.344 10.957 -14.513 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -27.056 8.312 -14.106 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -26.844 9.465 -12.804 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -29.349 8.315 -13.872 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -29.076 9.115 -12.337 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -30.353 10.231 -14.649 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -29.975 11.065 -13.155 1.00 0.00 H new ATOM 130 N VAL A 13 -28.126 9.359 -16.723 1.00 0.00 N ATOM 131 CA VAL A 13 -28.083 8.832 -18.077 1.00 0.00 C ATOM 132 C VAL A 13 -26.922 7.843 -18.197 1.00 0.00 C ATOM 133 O VAL A 13 -26.181 7.631 -17.239 1.00 0.00 O ATOM 134 CB VAL A 13 -27.996 9.981 -19.083 1.00 0.00 C ATOM 135 CG1 VAL A 13 -26.592 10.590 -19.100 1.00 0.00 C ATOM 136 CG2 VAL A 13 -28.410 9.518 -20.481 1.00 0.00 C ATOM 0 H VAL A 13 -29.040 9.305 -16.273 1.00 0.00 H new ATOM 0 HA VAL A 13 -28.999 8.287 -18.305 1.00 0.00 H new ATOM 0 HB VAL A 13 -28.694 10.757 -18.767 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -26.557 11.405 -19.824 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -26.350 10.974 -18.109 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -25.867 9.825 -19.380 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -28.339 10.354 -21.177 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -27.749 8.716 -20.809 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -29.437 9.154 -20.454 1.00 0.00 H new ATOM 146 N LEU A 14 -26.801 7.263 -19.382 1.00 0.00 N ATOM 147 CA LEU A 14 -25.743 6.301 -19.640 1.00 0.00 C ATOM 148 C LEU A 14 -25.949 5.073 -18.751 1.00 0.00 C ATOM 149 O LEU A 14 -26.099 5.199 -17.537 1.00 0.00 O ATOM 150 CB LEU A 14 -24.371 6.956 -19.475 1.00 0.00 C ATOM 151 CG LEU A 14 -24.080 8.143 -20.396 1.00 0.00 C ATOM 152 CD1 LEU A 14 -23.235 9.198 -19.679 1.00 0.00 C ATOM 153 CD2 LEU A 14 -23.429 7.678 -21.701 1.00 0.00 C ATOM 0 H LEU A 14 -27.418 7.441 -20.174 1.00 0.00 H new ATOM 0 HA LEU A 14 -25.784 5.958 -20.674 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -24.272 7.290 -18.442 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -23.606 6.197 -19.640 1.00 0.00 H new ATOM 0 HG LEU A 14 -25.028 8.612 -20.658 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -23.042 10.031 -20.355 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -23.772 9.559 -18.802 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -22.288 8.756 -19.368 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -23.233 8.541 -22.337 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -22.491 7.170 -21.479 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -24.100 6.991 -22.218 1.00 0.00 H new ATOM 165 N GLU A 15 -25.949 3.912 -19.391 1.00 0.00 N ATOM 166 CA GLU A 15 -26.134 2.662 -18.673 1.00 0.00 C ATOM 167 C GLU A 15 -24.913 2.366 -17.800 1.00 0.00 C ATOM 168 O GLU A 15 -23.903 3.062 -17.883 1.00 0.00 O ATOM 169 CB GLU A 15 -26.409 1.510 -19.641 1.00 0.00 C ATOM 170 CG GLU A 15 -27.911 1.325 -19.862 1.00 0.00 C ATOM 171 CD GLU A 15 -28.448 0.157 -19.034 1.00 0.00 C ATOM 172 OE1 GLU A 15 -28.370 0.259 -17.790 1.00 0.00 O ATOM 173 OE2 GLU A 15 -28.924 -0.813 -19.662 1.00 0.00 O ATOM 0 H GLU A 15 -25.824 3.811 -20.398 1.00 0.00 H new ATOM 0 HA GLU A 15 -27.004 2.763 -18.024 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -25.919 1.707 -20.595 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -25.980 0.589 -19.247 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -28.437 2.240 -19.590 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -28.107 1.146 -20.919 1.00 0.00 H new ATOM 180 N LEU A 16 -25.047 1.332 -16.983 1.00 0.00 N ATOM 181 CA LEU A 16 -23.967 0.935 -16.095 1.00 0.00 C ATOM 182 C LEU A 16 -23.843 -0.590 -16.101 1.00 0.00 C ATOM 183 O LEU A 16 -24.620 -1.282 -15.445 1.00 0.00 O ATOM 184 CB LEU A 16 -24.173 1.530 -14.701 1.00 0.00 C ATOM 185 CG LEU A 16 -25.515 1.223 -14.033 1.00 0.00 C ATOM 186 CD1 LEU A 16 -25.310 0.572 -12.664 1.00 0.00 C ATOM 187 CD2 LEU A 16 -26.384 2.480 -13.945 1.00 0.00 C ATOM 0 H LEU A 16 -25.887 0.757 -16.917 1.00 0.00 H new ATOM 0 HA LEU A 16 -23.016 1.334 -16.449 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -23.375 1.169 -14.052 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -24.063 2.612 -14.769 1.00 0.00 H new ATOM 0 HG LEU A 16 -26.049 0.504 -14.655 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -26.279 0.364 -12.211 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -24.758 -0.360 -12.783 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -24.746 1.248 -12.021 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -27.332 2.234 -13.466 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -25.867 3.239 -13.358 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -26.573 2.863 -14.948 1.00 0.00 H new ATOM 199 N GLU A 17 -22.859 -1.069 -16.848 1.00 0.00 N ATOM 200 CA GLU A 17 -22.623 -2.499 -16.947 1.00 0.00 C ATOM 201 C GLU A 17 -21.257 -2.854 -16.355 1.00 0.00 C ATOM 202 O GLU A 17 -20.458 -1.969 -16.053 1.00 0.00 O ATOM 203 CB GLU A 17 -22.731 -2.974 -18.397 1.00 0.00 C ATOM 204 CG GLU A 17 -21.601 -2.394 -19.250 1.00 0.00 C ATOM 205 CD GLU A 17 -20.865 -3.500 -20.010 1.00 0.00 C ATOM 206 OE1 GLU A 17 -20.507 -4.500 -19.351 1.00 0.00 O ATOM 207 OE2 GLU A 17 -20.678 -3.320 -21.233 1.00 0.00 O ATOM 0 H GLU A 17 -22.216 -0.492 -17.390 1.00 0.00 H new ATOM 0 HA GLU A 17 -23.392 -3.014 -16.372 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -22.694 -4.063 -18.430 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -23.694 -2.675 -18.811 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -22.008 -1.671 -19.957 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -20.899 -1.856 -18.613 1.00 0.00 H new ATOM 214 N LEU A 18 -21.031 -4.151 -16.206 1.00 0.00 N ATOM 215 CA LEU A 18 -19.776 -4.634 -15.656 1.00 0.00 C ATOM 216 C LEU A 18 -18.613 -4.047 -16.458 1.00 0.00 C ATOM 217 O LEU A 18 -18.827 -3.298 -17.410 1.00 0.00 O ATOM 218 CB LEU A 18 -19.771 -6.163 -15.594 1.00 0.00 C ATOM 219 CG LEU A 18 -19.481 -6.778 -14.223 1.00 0.00 C ATOM 220 CD1 LEU A 18 -20.776 -7.208 -13.531 1.00 0.00 C ATOM 221 CD2 LEU A 18 -18.482 -7.931 -14.340 1.00 0.00 C ATOM 0 H LEU A 18 -21.696 -4.882 -16.457 1.00 0.00 H new ATOM 0 HA LEU A 18 -19.656 -4.296 -14.627 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -20.742 -6.524 -15.934 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.028 -6.533 -16.301 1.00 0.00 H new ATOM 0 HG LEU A 18 -19.019 -6.015 -13.596 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -20.542 -7.642 -12.559 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -21.422 -6.340 -13.395 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -21.288 -7.949 -14.145 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.293 -8.350 -13.352 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -18.893 -8.704 -14.990 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -17.547 -7.561 -14.762 1.00 0.00 H new ATOM 233 N ALA A 19 -17.408 -4.410 -16.044 1.00 0.00 N ATOM 234 CA ALA A 19 -16.211 -3.929 -16.712 1.00 0.00 C ATOM 235 C ALA A 19 -14.988 -4.648 -16.139 1.00 0.00 C ATOM 236 O ALA A 19 -14.965 -4.998 -14.960 1.00 0.00 O ATOM 237 CB ALA A 19 -16.117 -2.409 -16.561 1.00 0.00 C ATOM 0 H ALA A 19 -17.235 -5.032 -15.254 1.00 0.00 H new ATOM 0 HA ALA A 19 -16.253 -4.149 -17.779 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.219 -2.048 -17.062 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -16.995 -1.944 -17.010 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -16.071 -2.151 -15.503 1.00 0.00 H new ATOM 243 N GLU A 20 -14.001 -4.846 -17.000 1.00 0.00 N ATOM 244 CA GLU A 20 -12.777 -5.517 -16.594 1.00 0.00 C ATOM 245 C GLU A 20 -11.636 -5.164 -17.550 1.00 0.00 C ATOM 246 O GLU A 20 -11.001 -6.051 -18.120 1.00 0.00 O ATOM 247 CB GLU A 20 -12.981 -7.032 -16.520 1.00 0.00 C ATOM 248 CG GLU A 20 -11.990 -7.672 -15.547 1.00 0.00 C ATOM 249 CD GLU A 20 -11.419 -8.970 -16.121 1.00 0.00 C ATOM 250 OE1 GLU A 20 -10.765 -8.883 -17.182 1.00 0.00 O ATOM 251 OE2 GLU A 20 -11.649 -10.021 -15.485 1.00 0.00 O ATOM 0 H GLU A 20 -14.023 -4.554 -17.977 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.509 -5.170 -15.596 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.001 -7.250 -16.202 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.856 -7.468 -17.511 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.179 -6.975 -15.338 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.487 -7.877 -14.599 1.00 0.00 H new ATOM 258 N GLU A 21 -11.409 -3.867 -17.696 1.00 0.00 N ATOM 259 CA GLU A 21 -10.355 -3.385 -18.573 1.00 0.00 C ATOM 260 C GLU A 21 -9.085 -3.101 -17.769 1.00 0.00 C ATOM 261 O GLU A 21 -8.358 -2.154 -18.065 1.00 0.00 O ATOM 262 CB GLU A 21 -10.807 -2.142 -19.342 1.00 0.00 C ATOM 263 CG GLU A 21 -10.451 -2.256 -20.826 1.00 0.00 C ATOM 264 CD GLU A 21 -8.937 -2.368 -21.019 1.00 0.00 C ATOM 265 OE1 GLU A 21 -8.398 -3.439 -20.665 1.00 0.00 O ATOM 266 OE2 GLU A 21 -8.354 -1.380 -21.516 1.00 0.00 O ATOM 0 H GLU A 21 -11.937 -3.135 -17.222 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.133 -4.163 -19.304 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.884 -2.013 -19.231 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.335 -1.256 -18.918 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.942 -3.129 -21.255 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.826 -1.384 -21.362 1.00 0.00 H new ATOM 273 N LYS A 22 -8.856 -3.940 -16.769 1.00 0.00 N ATOM 274 CA LYS A 22 -7.685 -3.790 -15.921 1.00 0.00 C ATOM 275 C LYS A 22 -6.452 -3.561 -16.797 1.00 0.00 C ATOM 276 O LYS A 22 -6.476 -3.841 -17.994 1.00 0.00 O ATOM 277 CB LYS A 22 -7.554 -4.985 -14.974 1.00 0.00 C ATOM 278 CG LYS A 22 -6.977 -4.554 -13.624 1.00 0.00 C ATOM 279 CD LYS A 22 -8.081 -4.421 -12.573 1.00 0.00 C ATOM 280 CE LYS A 22 -8.309 -5.748 -11.847 1.00 0.00 C ATOM 281 NZ LYS A 22 -9.677 -5.803 -11.286 1.00 0.00 N ATOM 0 H LYS A 22 -9.461 -4.725 -16.527 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.788 -2.914 -15.280 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.531 -5.445 -14.826 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.911 -5.741 -15.424 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.239 -5.283 -13.291 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.458 -3.602 -13.734 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.811 -3.650 -11.852 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.007 -4.100 -13.051 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.159 -6.578 -12.538 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.577 -5.863 -11.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.815 -6.710 -10.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.807 -5.022 -10.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.371 -5.715 -12.055 1.00 0.00 H new ATOM 295 N LEU A 23 -5.403 -3.054 -16.165 1.00 0.00 N ATOM 296 CA LEU A 23 -4.163 -2.784 -16.872 1.00 0.00 C ATOM 297 C LEU A 23 -3.038 -3.616 -16.254 1.00 0.00 C ATOM 298 O LEU A 23 -3.169 -4.112 -15.137 1.00 0.00 O ATOM 299 CB LEU A 23 -3.875 -1.281 -16.894 1.00 0.00 C ATOM 300 CG LEU A 23 -4.421 -0.512 -18.099 1.00 0.00 C ATOM 301 CD1 LEU A 23 -4.999 0.839 -17.671 1.00 0.00 C ATOM 302 CD2 LEU A 23 -3.352 -0.360 -19.183 1.00 0.00 C ATOM 0 H LEU A 23 -5.387 -2.823 -15.172 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.247 -3.085 -17.916 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.288 -0.838 -15.988 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.795 -1.137 -16.855 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.238 -1.090 -18.531 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.380 1.365 -18.546 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.811 0.679 -16.962 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.218 1.436 -17.200 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.766 0.190 -20.028 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.499 0.185 -18.779 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.028 -1.346 -19.516 1.00 0.00 H new ATOM 314 N PRO A 24 -1.927 -3.747 -17.029 1.00 0.00 N ATOM 315 CA PRO A 24 -0.780 -4.510 -16.570 1.00 0.00 C ATOM 316 C PRO A 24 0.008 -3.734 -15.512 1.00 0.00 C ATOM 317 O PRO A 24 -0.448 -2.698 -15.030 1.00 0.00 O ATOM 318 CB PRO A 24 0.031 -4.795 -17.824 1.00 0.00 C ATOM 319 CG PRO A 24 -0.443 -3.791 -18.863 1.00 0.00 C ATOM 320 CD PRO A 24 -1.736 -3.173 -18.358 1.00 0.00 C ATOM 0 HA PRO A 24 -1.064 -5.439 -16.076 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.098 -4.685 -17.632 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.127 -5.817 -18.168 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.312 -3.021 -19.022 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.604 -4.282 -19.823 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.664 -2.086 -18.313 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.572 -3.411 -19.016 1.00 0.00 H new ATOM 328 N MET A 25 1.176 -4.265 -15.183 1.00 0.00 N ATOM 329 CA MET A 25 2.031 -3.636 -14.191 1.00 0.00 C ATOM 330 C MET A 25 2.500 -2.259 -14.666 1.00 0.00 C ATOM 331 O MET A 25 3.253 -2.155 -15.633 1.00 0.00 O ATOM 332 CB MET A 25 3.247 -4.526 -13.925 1.00 0.00 C ATOM 333 CG MET A 25 3.434 -4.765 -12.426 1.00 0.00 C ATOM 334 SD MET A 25 5.103 -5.307 -12.098 1.00 0.00 S ATOM 335 CE MET A 25 5.169 -5.056 -10.332 1.00 0.00 C ATOM 0 H MET A 25 1.551 -5.124 -15.586 1.00 0.00 H new ATOM 0 HA MET A 25 1.457 -3.508 -13.273 1.00 0.00 H new ATOM 0 HB2 MET A 25 3.122 -5.481 -14.436 1.00 0.00 H new ATOM 0 HB3 MET A 25 4.141 -4.058 -14.337 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.225 -3.848 -11.874 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.724 -5.515 -12.078 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.206 -5.087 -9.999 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.738 -4.086 -10.086 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.603 -5.842 -9.831 1.00 0.00 H new ATOM 345 N THR A 26 2.035 -1.236 -13.964 1.00 0.00 N ATOM 346 CA THR A 26 2.397 0.130 -14.302 1.00 0.00 C ATOM 347 C THR A 26 3.541 0.615 -13.409 1.00 0.00 C ATOM 348 O THR A 26 4.475 1.257 -13.885 1.00 0.00 O ATOM 349 CB THR A 26 1.138 0.993 -14.199 1.00 0.00 C ATOM 350 OG1 THR A 26 0.484 0.514 -13.027 1.00 0.00 O ATOM 351 CG2 THR A 26 0.140 0.710 -15.324 1.00 0.00 C ATOM 0 H THR A 26 1.411 -1.326 -13.162 1.00 0.00 H new ATOM 0 HA THR A 26 2.772 0.198 -15.323 1.00 0.00 H new ATOM 0 HB THR A 26 1.418 2.046 -14.218 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.343 1.020 -12.884 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.735 1.349 -15.204 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.609 0.915 -16.286 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.166 -0.335 -15.284 1.00 0.00 H new ATOM 359 N LEU A 27 3.429 0.289 -12.130 1.00 0.00 N ATOM 360 CA LEU A 27 4.442 0.683 -11.166 1.00 0.00 C ATOM 361 C LEU A 27 5.236 -0.551 -10.733 1.00 0.00 C ATOM 362 O LEU A 27 4.658 -1.533 -10.269 1.00 0.00 O ATOM 363 CB LEU A 27 3.806 1.445 -10.002 1.00 0.00 C ATOM 364 CG LEU A 27 3.013 2.699 -10.374 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.097 3.130 -9.227 1.00 0.00 C ATOM 366 CD2 LEU A 27 3.947 3.828 -10.816 1.00 0.00 C ATOM 0 H LEU A 27 2.652 -0.244 -11.739 1.00 0.00 H new ATOM 0 HA LEU A 27 5.151 1.375 -11.620 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.142 0.765 -9.468 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.595 1.731 -9.307 1.00 0.00 H new ATOM 0 HG LEU A 27 2.374 2.458 -11.223 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.545 4.024 -9.518 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.395 2.328 -9.001 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.698 3.346 -8.343 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.358 4.708 -11.075 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.630 4.075 -10.003 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.520 3.507 -11.686 1.00 0.00 H new ATOM 378 N SER A 28 6.547 -0.461 -10.900 1.00 0.00 N ATOM 379 CA SER A 28 7.425 -1.559 -10.532 1.00 0.00 C ATOM 380 C SER A 28 7.703 -1.525 -9.027 1.00 0.00 C ATOM 381 O SER A 28 7.432 -0.525 -8.365 1.00 0.00 O ATOM 382 CB SER A 28 8.738 -1.499 -11.315 1.00 0.00 C ATOM 383 OG SER A 28 9.209 -2.797 -11.666 1.00 0.00 O ATOM 0 H SER A 28 7.023 0.355 -11.285 1.00 0.00 H new ATOM 0 HA SER A 28 6.926 -2.495 -10.782 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.594 -0.908 -12.220 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.493 -0.988 -10.718 1.00 0.00 H new ATOM 0 HG SER A 28 10.048 -2.716 -12.166 1.00 0.00 H new ATOM 389 N ARG A 29 8.239 -2.631 -8.532 1.00 0.00 N ATOM 390 CA ARG A 29 8.555 -2.741 -7.118 1.00 0.00 C ATOM 391 C ARG A 29 9.073 -1.403 -6.585 1.00 0.00 C ATOM 392 O ARG A 29 8.414 -0.758 -5.771 1.00 0.00 O ATOM 393 CB ARG A 29 9.609 -3.822 -6.872 1.00 0.00 C ATOM 394 CG ARG A 29 10.478 -4.034 -8.114 1.00 0.00 C ATOM 395 CD ARG A 29 11.929 -4.321 -7.725 1.00 0.00 C ATOM 396 NE ARG A 29 12.743 -4.551 -8.939 1.00 0.00 N ATOM 397 CZ ARG A 29 14.065 -4.768 -8.928 1.00 0.00 C ATOM 398 NH1 ARG A 29 14.731 -4.787 -7.765 1.00 0.00 N ATOM 399 NH2 ARG A 29 14.721 -4.967 -10.079 1.00 0.00 N ATOM 0 H ARG A 29 8.462 -3.459 -9.085 1.00 0.00 H new ATOM 0 HA ARG A 29 7.640 -3.016 -6.594 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.238 -3.537 -6.028 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.119 -4.758 -6.602 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.084 -4.864 -8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.436 -3.148 -8.747 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.335 -3.483 -7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.974 -5.196 -7.076 1.00 0.00 H new ATOM 0 HE ARG A 29 12.268 -4.544 -9.841 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.231 -4.636 -6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.737 -4.952 -7.756 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.214 -4.953 -10.964 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.728 -5.132 -10.070 1.00 0.00 H new ATOM 413 N GLN A 30 10.249 -1.026 -7.066 1.00 0.00 N ATOM 414 CA GLN A 30 10.863 0.222 -6.648 1.00 0.00 C ATOM 415 C GLN A 30 9.842 1.360 -6.702 1.00 0.00 C ATOM 416 O GLN A 30 9.656 2.080 -5.722 1.00 0.00 O ATOM 417 CB GLN A 30 12.089 0.545 -7.505 1.00 0.00 C ATOM 418 CG GLN A 30 12.955 1.617 -6.841 1.00 0.00 C ATOM 419 CD GLN A 30 14.374 1.100 -6.593 1.00 0.00 C ATOM 420 OE1 GLN A 30 14.733 0.700 -5.498 1.00 0.00 O ATOM 421 NE2 GLN A 30 15.157 1.131 -7.667 1.00 0.00 N ATOM 0 H GLN A 30 10.793 -1.563 -7.741 1.00 0.00 H new ATOM 0 HA GLN A 30 11.200 0.110 -5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.678 -0.359 -7.659 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.769 0.889 -8.489 1.00 0.00 H new ATOM 0 HG2 GLN A 30 12.993 2.503 -7.475 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.504 1.920 -5.896 1.00 0.00 H new ATOM 0 HE21 GLN A 30 14.792 1.478 -8.554 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.122 0.807 -7.604 1.00 0.00 H new ATOM 430 N GLU A 31 9.206 1.487 -7.857 1.00 0.00 N ATOM 431 CA GLU A 31 8.208 2.525 -8.052 1.00 0.00 C ATOM 432 C GLU A 31 7.143 2.450 -6.956 1.00 0.00 C ATOM 433 O GLU A 31 6.498 3.450 -6.642 1.00 0.00 O ATOM 434 CB GLU A 31 7.574 2.423 -9.440 1.00 0.00 C ATOM 435 CG GLU A 31 7.295 3.812 -10.019 1.00 0.00 C ATOM 436 CD GLU A 31 8.599 4.560 -10.301 1.00 0.00 C ATOM 437 OE1 GLU A 31 9.523 3.909 -10.835 1.00 0.00 O ATOM 438 OE2 GLU A 31 8.642 5.767 -9.977 1.00 0.00 O ATOM 0 H GLU A 31 9.362 0.888 -8.668 1.00 0.00 H new ATOM 0 HA GLU A 31 8.703 3.494 -7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.238 1.874 -10.107 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.644 1.857 -9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.719 3.717 -10.940 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.686 4.386 -9.320 1.00 0.00 H new ATOM 445 N VAL A 32 6.990 1.255 -6.404 1.00 0.00 N ATOM 446 CA VAL A 32 6.014 1.036 -5.350 1.00 0.00 C ATOM 447 C VAL A 32 6.688 1.225 -3.990 1.00 0.00 C ATOM 448 O VAL A 32 6.049 1.652 -3.030 1.00 0.00 O ATOM 449 CB VAL A 32 5.369 -0.342 -5.512 1.00 0.00 C ATOM 450 CG1 VAL A 32 4.648 -0.763 -4.231 1.00 0.00 C ATOM 451 CG2 VAL A 32 4.418 -0.365 -6.710 1.00 0.00 C ATOM 0 H VAL A 32 7.526 0.428 -6.667 1.00 0.00 H new ATOM 0 HA VAL A 32 5.208 1.767 -5.418 1.00 0.00 H new ATOM 0 HB VAL A 32 6.163 -1.064 -5.702 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.198 -1.746 -4.373 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.362 -0.806 -3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.869 -0.038 -3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.973 -1.356 -6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.630 0.374 -6.564 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.972 -0.130 -7.619 1.00 0.00 H new ATOM 461 N ILE A 33 7.971 0.896 -3.950 1.00 0.00 N ATOM 462 CA ILE A 33 8.739 1.024 -2.723 1.00 0.00 C ATOM 463 C ILE A 33 8.953 2.507 -2.413 1.00 0.00 C ATOM 464 O ILE A 33 8.874 2.921 -1.257 1.00 0.00 O ATOM 465 CB ILE A 33 10.039 0.222 -2.818 1.00 0.00 C ATOM 466 CG1 ILE A 33 9.759 -1.281 -2.776 1.00 0.00 C ATOM 467 CG2 ILE A 33 11.029 0.652 -1.734 1.00 0.00 C ATOM 468 CD1 ILE A 33 10.809 -2.057 -3.575 1.00 0.00 C ATOM 0 H ILE A 33 8.498 0.541 -4.748 1.00 0.00 H new ATOM 0 HA ILE A 33 8.189 0.598 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 33 10.504 0.436 -3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.756 -1.625 -1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.767 -1.481 -3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.944 0.067 -1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.262 1.710 -1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.587 0.486 -0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.587 -3.123 -3.529 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.792 -1.727 -4.614 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.797 -1.874 -3.152 1.00 0.00 H new ATOM 480 N ARG A 34 9.220 3.267 -3.465 1.00 0.00 N ATOM 481 CA ARG A 34 9.446 4.695 -3.319 1.00 0.00 C ATOM 482 C ARG A 34 8.297 5.337 -2.539 1.00 0.00 C ATOM 483 O ARG A 34 8.491 5.816 -1.423 1.00 0.00 O ATOM 484 CB ARG A 34 9.569 5.375 -4.684 1.00 0.00 C ATOM 485 CG ARG A 34 9.960 6.846 -4.530 1.00 0.00 C ATOM 486 CD ARG A 34 9.046 7.747 -5.364 1.00 0.00 C ATOM 487 NE ARG A 34 9.664 9.081 -5.528 1.00 0.00 N ATOM 488 CZ ARG A 34 8.998 10.173 -5.927 1.00 0.00 C ATOM 489 NH1 ARG A 34 7.689 10.096 -6.205 1.00 0.00 N ATOM 490 NH2 ARG A 34 9.640 11.343 -6.049 1.00 0.00 N ATOM 0 H ARG A 34 9.285 2.921 -4.422 1.00 0.00 H new ATOM 0 HA ARG A 34 10.380 4.829 -2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.316 4.858 -5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.622 5.301 -5.218 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.901 7.134 -3.480 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.995 6.985 -4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.870 7.296 -6.341 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.075 7.844 -4.878 1.00 0.00 H new ATOM 0 HE ARG A 34 10.659 9.175 -5.325 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.200 9.206 -6.113 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.182 10.928 -6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.636 11.403 -5.838 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.132 12.174 -6.353 1.00 0.00 H new ATOM 504 N ARG A 35 7.125 5.326 -3.157 1.00 0.00 N ATOM 505 CA ARG A 35 5.945 5.901 -2.534 1.00 0.00 C ATOM 506 C ARG A 35 5.707 5.269 -1.162 1.00 0.00 C ATOM 507 O ARG A 35 5.732 5.959 -0.144 1.00 0.00 O ATOM 508 CB ARG A 35 4.705 5.693 -3.406 1.00 0.00 C ATOM 509 CG ARG A 35 4.712 6.643 -4.606 1.00 0.00 C ATOM 510 CD ARG A 35 4.656 5.864 -5.922 1.00 0.00 C ATOM 511 NE ARG A 35 4.339 6.782 -7.039 1.00 0.00 N ATOM 512 CZ ARG A 35 3.094 7.114 -7.408 1.00 0.00 C ATOM 513 NH1 ARG A 35 2.042 6.606 -6.751 1.00 0.00 N ATOM 514 NH2 ARG A 35 2.901 7.954 -8.434 1.00 0.00 N ATOM 0 H ARG A 35 6.967 4.928 -4.083 1.00 0.00 H new ATOM 0 HA ARG A 35 6.119 6.971 -2.419 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.671 4.661 -3.755 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.806 5.859 -2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.860 7.320 -4.543 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.611 7.259 -4.582 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.612 5.372 -6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.901 5.080 -5.859 1.00 0.00 H new ATOM 0 HE ARG A 35 5.116 7.187 -7.560 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.189 5.967 -5.970 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.095 6.859 -7.032 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.702 8.341 -8.934 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.954 8.207 -8.715 1.00 0.00 H new ATOM 528 N LEU A 36 5.483 3.963 -1.178 1.00 0.00 N ATOM 529 CA LEU A 36 5.241 3.230 0.053 1.00 0.00 C ATOM 530 C LEU A 36 6.158 3.770 1.152 1.00 0.00 C ATOM 531 O LEU A 36 5.684 4.249 2.181 1.00 0.00 O ATOM 532 CB LEU A 36 5.385 1.725 -0.183 1.00 0.00 C ATOM 533 CG LEU A 36 4.249 1.056 -0.960 1.00 0.00 C ATOM 534 CD1 LEU A 36 4.567 -0.414 -1.238 1.00 0.00 C ATOM 535 CD2 LEU A 36 2.914 1.227 -0.233 1.00 0.00 C ATOM 0 H LEU A 36 5.464 3.394 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 36 4.216 3.380 0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.318 1.549 -0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.476 1.233 0.785 1.00 0.00 H new ATOM 0 HG LEU A 36 4.156 1.553 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.744 -0.866 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.481 -0.483 -1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.703 -0.942 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.123 0.743 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.977 0.772 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.689 2.289 -0.130 1.00 0.00 H new ATOM 547 N ARG A 37 7.455 3.676 0.897 1.00 0.00 N ATOM 548 CA ARG A 37 8.442 4.149 1.852 1.00 0.00 C ATOM 549 C ARG A 37 8.035 5.518 2.401 1.00 0.00 C ATOM 550 O ARG A 37 7.876 5.683 3.610 1.00 0.00 O ATOM 551 CB ARG A 37 9.825 4.258 1.206 1.00 0.00 C ATOM 552 CG ARG A 37 10.655 3.000 1.474 1.00 0.00 C ATOM 553 CD ARG A 37 12.152 3.302 1.381 1.00 0.00 C ATOM 554 NE ARG A 37 12.934 2.101 1.753 1.00 0.00 N ATOM 555 CZ ARG A 37 14.238 2.120 2.061 1.00 0.00 C ATOM 556 NH1 ARG A 37 14.914 3.276 2.045 1.00 0.00 N ATOM 557 NH2 ARG A 37 14.865 0.981 2.387 1.00 0.00 N ATOM 0 H ARG A 37 7.845 3.279 0.042 1.00 0.00 H new ATOM 0 HA ARG A 37 8.489 3.426 2.666 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.718 4.406 0.131 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.346 5.132 1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.420 2.609 2.464 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.391 2.225 0.754 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.407 3.613 0.368 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.406 4.131 2.042 1.00 0.00 H new ATOM 0 HE ARG A 37 12.450 1.203 1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.436 4.143 1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.907 3.290 2.280 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.350 0.101 2.400 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.858 0.994 2.622 1.00 0.00 H new ATOM 571 N GLU A 38 7.877 6.464 1.487 1.00 0.00 N ATOM 572 CA GLU A 38 7.491 7.813 1.865 1.00 0.00 C ATOM 573 C GLU A 38 6.204 7.785 2.692 1.00 0.00 C ATOM 574 O GLU A 38 6.053 8.556 3.639 1.00 0.00 O ATOM 575 CB GLU A 38 7.332 8.704 0.632 1.00 0.00 C ATOM 576 CG GLU A 38 8.648 9.402 0.286 1.00 0.00 C ATOM 577 CD GLU A 38 8.404 10.624 -0.602 1.00 0.00 C ATOM 578 OE1 GLU A 38 7.475 10.544 -1.435 1.00 0.00 O ATOM 579 OE2 GLU A 38 9.151 11.611 -0.428 1.00 0.00 O ATOM 0 H GLU A 38 8.009 6.323 0.485 1.00 0.00 H new ATOM 0 HA GLU A 38 8.285 8.238 2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.002 8.103 -0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.558 9.449 0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.153 9.709 1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.311 8.704 -0.225 1.00 0.00 H new ATOM 586 N ARG A 39 5.309 6.889 2.303 1.00 0.00 N ATOM 587 CA ARG A 39 4.039 6.751 2.997 1.00 0.00 C ATOM 588 C ARG A 39 4.240 6.037 4.335 1.00 0.00 C ATOM 589 O ARG A 39 3.289 5.853 5.093 1.00 0.00 O ATOM 590 CB ARG A 39 3.034 5.964 2.153 1.00 0.00 C ATOM 591 CG ARG A 39 2.917 6.554 0.746 1.00 0.00 C ATOM 592 CD ARG A 39 1.508 7.095 0.493 1.00 0.00 C ATOM 593 NE ARG A 39 1.584 8.450 -0.096 1.00 0.00 N ATOM 594 CZ ARG A 39 1.734 9.573 0.619 1.00 0.00 C ATOM 595 NH1 ARG A 39 1.825 9.510 1.954 1.00 0.00 N ATOM 596 NH2 ARG A 39 1.793 10.760 -0.001 1.00 0.00 N ATOM 0 H ARG A 39 5.437 6.252 1.517 1.00 0.00 H new ATOM 0 HA ARG A 39 3.645 7.752 3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.345 4.921 2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.058 5.976 2.638 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.646 7.355 0.622 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.155 5.790 0.006 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.968 6.427 -0.179 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.949 7.127 1.428 1.00 0.00 H new ATOM 0 HE ARG A 39 1.518 8.535 -1.110 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.780 8.607 2.426 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.939 10.365 2.498 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.724 10.808 -1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.907 11.615 0.544 1.00 0.00 H new ATOM 610 N GLY A 40 5.484 5.655 4.584 1.00 0.00 N ATOM 611 CA GLY A 40 5.822 4.966 5.818 1.00 0.00 C ATOM 612 C GLY A 40 5.313 3.523 5.797 1.00 0.00 C ATOM 613 O GLY A 40 5.389 2.820 6.804 1.00 0.00 O ATOM 0 H GLY A 40 6.270 5.809 3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.903 4.972 5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.388 5.496 6.666 1.00 0.00 H new ATOM 617 N GLU A 41 4.806 3.125 4.640 1.00 0.00 N ATOM 618 CA GLU A 41 4.285 1.779 4.475 1.00 0.00 C ATOM 619 C GLU A 41 5.434 0.780 4.318 1.00 0.00 C ATOM 620 O GLU A 41 6.536 1.154 3.920 1.00 0.00 O ATOM 621 CB GLU A 41 3.327 1.704 3.284 1.00 0.00 C ATOM 622 CG GLU A 41 2.235 2.769 3.391 1.00 0.00 C ATOM 623 CD GLU A 41 0.950 2.181 3.979 1.00 0.00 C ATOM 624 OE1 GLU A 41 0.673 1.002 3.669 1.00 0.00 O ATOM 625 OE2 GLU A 41 0.276 2.923 4.725 1.00 0.00 O ATOM 0 H GLU A 41 4.745 3.711 3.807 1.00 0.00 H new ATOM 0 HA GLU A 41 3.721 1.517 5.370 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.883 1.840 2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.872 0.715 3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.583 3.590 4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.030 3.185 2.405 1.00 0.00 H new ATOM 632 N PRO A 42 5.129 -0.503 4.648 1.00 0.00 N ATOM 633 CA PRO A 42 6.123 -1.558 4.548 1.00 0.00 C ATOM 634 C PRO A 42 6.359 -1.953 3.089 1.00 0.00 C ATOM 635 O PRO A 42 5.444 -2.423 2.414 1.00 0.00 O ATOM 636 CB PRO A 42 5.574 -2.698 5.391 1.00 0.00 C ATOM 637 CG PRO A 42 4.088 -2.419 5.551 1.00 0.00 C ATOM 638 CD PRO A 42 3.835 -0.983 5.124 1.00 0.00 C ATOM 0 HA PRO A 42 7.103 -1.248 4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.741 -3.659 4.905 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.070 -2.741 6.361 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.503 -3.107 4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.781 -2.569 6.586 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.080 -0.931 4.339 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.471 -0.381 5.957 1.00 0.00 H new ATOM 646 N ILE A 43 7.590 -1.747 2.645 1.00 0.00 N ATOM 647 CA ILE A 43 7.958 -2.076 1.278 1.00 0.00 C ATOM 648 C ILE A 43 7.419 -3.465 0.930 1.00 0.00 C ATOM 649 O ILE A 43 6.883 -3.673 -0.157 1.00 0.00 O ATOM 650 CB ILE A 43 9.468 -1.935 1.081 1.00 0.00 C ATOM 651 CG1 ILE A 43 10.236 -2.725 2.142 1.00 0.00 C ATOM 652 CG2 ILE A 43 9.882 -0.462 1.052 1.00 0.00 C ATOM 653 CD1 ILE A 43 11.726 -2.798 1.800 1.00 0.00 C ATOM 0 H ILE A 43 8.346 -1.356 3.208 1.00 0.00 H new ATOM 0 HA ILE A 43 7.502 -1.373 0.581 1.00 0.00 H new ATOM 0 HB ILE A 43 9.727 -2.362 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.106 -2.254 3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.827 -3.732 2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 43 10.960 -0.390 0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.374 0.043 0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.607 0.012 1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.249 -3.365 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.854 -3.291 0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.137 -1.790 1.749 1.00 0.00 H new ATOM 665 N ARG A 44 7.580 -4.381 1.874 1.00 0.00 N ATOM 666 CA ARG A 44 7.117 -5.745 1.681 1.00 0.00 C ATOM 667 C ARG A 44 6.512 -6.289 2.976 1.00 0.00 C ATOM 668 O ARG A 44 7.165 -6.287 4.019 1.00 0.00 O ATOM 669 CB ARG A 44 8.262 -6.658 1.238 1.00 0.00 C ATOM 670 CG ARG A 44 7.827 -7.562 0.082 1.00 0.00 C ATOM 671 CD ARG A 44 6.777 -8.574 0.544 1.00 0.00 C ATOM 672 NE ARG A 44 7.424 -9.658 1.317 1.00 0.00 N ATOM 673 CZ ARG A 44 8.230 -10.584 0.781 1.00 0.00 C ATOM 674 NH1 ARG A 44 8.493 -10.565 -0.533 1.00 0.00 N ATOM 675 NH2 ARG A 44 8.774 -11.531 1.559 1.00 0.00 N ATOM 0 H ARG A 44 8.025 -4.205 2.775 1.00 0.00 H new ATOM 0 HA ARG A 44 6.357 -5.729 0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.115 -6.054 0.930 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.591 -7.269 2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.421 -6.954 -0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.693 -8.088 -0.319 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.026 -8.077 1.158 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.258 -8.991 -0.319 1.00 0.00 H new ATOM 0 HE ARG A 44 7.245 -9.703 2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.079 -9.845 -1.126 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.107 -11.270 -0.940 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.574 -11.546 2.559 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.388 -12.236 1.151 1.00 0.00 H new ATOM 689 N LEU A 45 5.271 -6.741 2.869 1.00 0.00 N ATOM 690 CA LEU A 45 4.571 -7.286 4.019 1.00 0.00 C ATOM 691 C LEU A 45 4.961 -8.755 4.198 1.00 0.00 C ATOM 692 O LEU A 45 5.850 -9.253 3.510 1.00 0.00 O ATOM 693 CB LEU A 45 3.064 -7.062 3.885 1.00 0.00 C ATOM 694 CG LEU A 45 2.540 -5.711 4.377 1.00 0.00 C ATOM 695 CD1 LEU A 45 2.677 -4.641 3.291 1.00 0.00 C ATOM 696 CD2 LEU A 45 1.102 -5.832 4.884 1.00 0.00 C ATOM 0 H LEU A 45 4.732 -6.741 2.003 1.00 0.00 H new ATOM 0 HA LEU A 45 4.867 -6.763 4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.792 -7.174 2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.549 -7.851 4.434 1.00 0.00 H new ATOM 0 HG LEU A 45 3.153 -5.394 5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.297 -3.691 3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.727 -4.531 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.104 -4.939 2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.754 -4.858 5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.460 -6.182 4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.066 -6.542 5.710 1.00 0.00 H new ATOM 708 N PHE A 46 4.275 -9.407 5.126 1.00 0.00 N ATOM 709 CA PHE A 46 4.538 -10.808 5.404 1.00 0.00 C ATOM 710 C PHE A 46 3.662 -11.714 4.536 1.00 0.00 C ATOM 711 O PHE A 46 2.659 -12.249 5.006 1.00 0.00 O ATOM 712 CB PHE A 46 4.194 -11.045 6.876 1.00 0.00 C ATOM 713 CG PHE A 46 4.948 -12.214 7.511 1.00 0.00 C ATOM 714 CD1 PHE A 46 6.188 -12.019 8.036 1.00 0.00 C ATOM 715 CD2 PHE A 46 4.379 -13.449 7.551 1.00 0.00 C ATOM 716 CE1 PHE A 46 6.888 -13.105 8.626 1.00 0.00 C ATOM 717 CE2 PHE A 46 5.079 -14.535 8.141 1.00 0.00 C ATOM 718 CZ PHE A 46 6.319 -14.340 8.666 1.00 0.00 C ATOM 0 H PHE A 46 3.538 -8.990 5.694 1.00 0.00 H new ATOM 0 HA PHE A 46 5.581 -11.040 5.187 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.410 -10.137 7.440 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.123 -11.227 6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.640 -11.039 8.004 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.395 -13.604 7.134 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.872 -12.950 9.043 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.627 -15.515 8.173 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.852 -15.166 9.114 1.00 0.00 H new ATOM 728 N GLY A 47 4.072 -11.857 3.284 1.00 0.00 N ATOM 729 CA GLY A 47 3.337 -12.688 2.346 1.00 0.00 C ATOM 730 C GLY A 47 2.855 -11.868 1.148 1.00 0.00 C ATOM 731 O GLY A 47 1.674 -11.894 0.807 1.00 0.00 O ATOM 0 H GLY A 47 4.904 -11.411 2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.973 -13.503 2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.482 -13.141 2.848 1.00 0.00 H new ATOM 735 N GLU A 48 3.795 -11.158 0.541 1.00 0.00 N ATOM 736 CA GLU A 48 3.482 -10.332 -0.613 1.00 0.00 C ATOM 737 C GLU A 48 4.593 -10.438 -1.659 1.00 0.00 C ATOM 738 O GLU A 48 5.697 -10.886 -1.354 1.00 0.00 O ATOM 739 CB GLU A 48 3.255 -8.877 -0.199 1.00 0.00 C ATOM 740 CG GLU A 48 1.775 -8.611 0.082 1.00 0.00 C ATOM 741 CD GLU A 48 1.455 -7.119 -0.032 1.00 0.00 C ATOM 742 OE1 GLU A 48 1.309 -6.656 -1.184 1.00 0.00 O ATOM 743 OE2 GLU A 48 1.363 -6.475 1.036 1.00 0.00 O ATOM 0 H GLU A 48 4.774 -11.138 0.827 1.00 0.00 H new ATOM 0 HA GLU A 48 2.556 -10.698 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.844 -8.652 0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.604 -8.212 -0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.161 -9.173 -0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.521 -8.966 1.081 1.00 0.00 H new ATOM 750 N THR A 49 4.262 -10.018 -2.872 1.00 0.00 N ATOM 751 CA THR A 49 5.218 -10.060 -3.965 1.00 0.00 C ATOM 752 C THR A 49 5.272 -8.707 -4.678 1.00 0.00 C ATOM 753 O THR A 49 4.739 -7.717 -4.180 1.00 0.00 O ATOM 754 CB THR A 49 4.832 -11.218 -4.887 1.00 0.00 C ATOM 755 OG1 THR A 49 3.412 -11.137 -4.970 1.00 0.00 O ATOM 756 CG2 THR A 49 5.090 -12.585 -4.249 1.00 0.00 C ATOM 0 H THR A 49 3.345 -9.647 -3.121 1.00 0.00 H new ATOM 0 HA THR A 49 6.229 -10.240 -3.600 1.00 0.00 H new ATOM 0 HB THR A 49 5.391 -11.141 -5.820 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.077 -11.852 -5.551 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.799 -13.372 -4.945 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.150 -12.682 -4.013 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.505 -12.676 -3.334 1.00 0.00 H new ATOM 764 N ASP A 50 5.921 -8.709 -5.834 1.00 0.00 N ATOM 765 CA ASP A 50 6.051 -7.495 -6.621 1.00 0.00 C ATOM 766 C ASP A 50 4.658 -6.950 -6.945 1.00 0.00 C ATOM 767 O ASP A 50 4.402 -5.758 -6.786 1.00 0.00 O ATOM 768 CB ASP A 50 6.770 -7.770 -7.943 1.00 0.00 C ATOM 769 CG ASP A 50 8.283 -7.540 -7.916 1.00 0.00 C ATOM 770 OD1 ASP A 50 8.859 -7.683 -6.817 1.00 0.00 O ATOM 771 OD2 ASP A 50 8.828 -7.225 -8.996 1.00 0.00 O ATOM 0 H ASP A 50 6.362 -9.532 -6.244 1.00 0.00 H new ATOM 0 HA ASP A 50 6.628 -6.776 -6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.580 -8.803 -8.235 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.335 -7.135 -8.715 1.00 0.00 H new ATOM 776 N TYR A 51 3.796 -7.850 -7.394 1.00 0.00 N ATOM 777 CA TYR A 51 2.436 -7.475 -7.741 1.00 0.00 C ATOM 778 C TYR A 51 1.627 -7.122 -6.491 1.00 0.00 C ATOM 779 O TYR A 51 1.158 -5.995 -6.349 1.00 0.00 O ATOM 780 CB TYR A 51 1.815 -8.706 -8.405 1.00 0.00 C ATOM 781 CG TYR A 51 0.461 -8.441 -9.065 1.00 0.00 C ATOM 782 CD1 TYR A 51 0.338 -7.442 -10.010 1.00 0.00 C ATOM 783 CD2 TYR A 51 -0.638 -9.200 -8.716 1.00 0.00 C ATOM 784 CE1 TYR A 51 -0.937 -7.193 -10.632 1.00 0.00 C ATOM 785 CE2 TYR A 51 -1.913 -8.950 -9.338 1.00 0.00 C ATOM 786 CZ TYR A 51 -1.999 -7.959 -10.265 1.00 0.00 C ATOM 787 OH TYR A 51 -3.203 -7.723 -10.852 1.00 0.00 O ATOM 0 H TYR A 51 4.013 -8.838 -7.526 1.00 0.00 H new ATOM 0 HA TYR A 51 2.434 -6.602 -8.394 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.506 -9.088 -9.157 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.695 -9.489 -7.656 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.197 -6.848 -10.283 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.542 -9.981 -7.977 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.047 -6.415 -11.373 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.781 -9.536 -9.074 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.869 -8.346 -10.494 1.00 0.00 H new ATOM 797 N ASP A 52 1.490 -8.108 -5.617 1.00 0.00 N ATOM 798 CA ASP A 52 0.747 -7.917 -4.383 1.00 0.00 C ATOM 799 C ASP A 52 1.123 -6.566 -3.771 1.00 0.00 C ATOM 800 O ASP A 52 0.249 -5.774 -3.420 1.00 0.00 O ATOM 801 CB ASP A 52 1.081 -9.007 -3.363 1.00 0.00 C ATOM 802 CG ASP A 52 -0.121 -9.572 -2.604 1.00 0.00 C ATOM 803 OD1 ASP A 52 -1.177 -8.904 -2.635 1.00 0.00 O ATOM 804 OD2 ASP A 52 0.043 -10.659 -2.009 1.00 0.00 O ATOM 0 H ASP A 52 1.881 -9.042 -5.739 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.316 -7.959 -4.620 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.583 -9.825 -3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.790 -8.603 -2.641 1.00 0.00 H new ATOM 809 N ALA A 53 2.425 -6.344 -3.661 1.00 0.00 N ATOM 810 CA ALA A 53 2.927 -5.103 -3.097 1.00 0.00 C ATOM 811 C ALA A 53 2.524 -3.937 -4.001 1.00 0.00 C ATOM 812 O ALA A 53 2.016 -2.923 -3.524 1.00 0.00 O ATOM 813 CB ALA A 53 4.443 -5.202 -2.915 1.00 0.00 C ATOM 0 H ALA A 53 3.147 -7.003 -3.953 1.00 0.00 H new ATOM 0 HA ALA A 53 2.491 -4.924 -2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.820 -4.271 -2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.676 -6.027 -2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.915 -5.379 -3.882 1.00 0.00 H new ATOM 819 N PHE A 54 2.765 -4.119 -5.291 1.00 0.00 N ATOM 820 CA PHE A 54 2.433 -3.094 -6.267 1.00 0.00 C ATOM 821 C PHE A 54 0.959 -2.695 -6.163 1.00 0.00 C ATOM 822 O PHE A 54 0.639 -1.514 -6.045 1.00 0.00 O ATOM 823 CB PHE A 54 2.690 -3.694 -7.650 1.00 0.00 C ATOM 824 CG PHE A 54 1.893 -3.029 -8.775 1.00 0.00 C ATOM 825 CD1 PHE A 54 1.997 -1.689 -8.981 1.00 0.00 C ATOM 826 CD2 PHE A 54 1.081 -3.778 -9.568 1.00 0.00 C ATOM 827 CE1 PHE A 54 1.258 -1.072 -10.025 1.00 0.00 C ATOM 828 CE2 PHE A 54 0.341 -3.161 -10.611 1.00 0.00 C ATOM 829 CZ PHE A 54 0.445 -1.821 -10.818 1.00 0.00 C ATOM 0 H PHE A 54 3.186 -4.961 -5.683 1.00 0.00 H new ATOM 0 HA PHE A 54 3.036 -2.203 -6.091 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.753 -3.616 -7.877 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.447 -4.756 -7.625 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.641 -1.094 -8.351 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.999 -4.842 -9.404 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.341 -0.008 -10.189 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.305 -3.756 -11.240 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.118 -1.352 -11.612 1.00 0.00 H new ATOM 839 N GLN A 55 0.101 -3.704 -6.211 1.00 0.00 N ATOM 840 CA GLN A 55 -1.331 -3.473 -6.124 1.00 0.00 C ATOM 841 C GLN A 55 -1.670 -2.721 -4.835 1.00 0.00 C ATOM 842 O GLN A 55 -2.538 -1.850 -4.831 1.00 0.00 O ATOM 843 CB GLN A 55 -2.104 -4.790 -6.209 1.00 0.00 C ATOM 844 CG GLN A 55 -1.913 -5.451 -7.576 1.00 0.00 C ATOM 845 CD GLN A 55 -3.002 -5.008 -8.556 1.00 0.00 C ATOM 846 OE1 GLN A 55 -4.150 -5.413 -8.473 1.00 0.00 O ATOM 847 NE2 GLN A 55 -2.580 -4.156 -9.486 1.00 0.00 N ATOM 0 H GLN A 55 0.370 -4.683 -6.309 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.632 -2.857 -6.971 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.765 -5.466 -5.424 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.164 -4.605 -6.035 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.932 -5.192 -7.975 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.937 -6.535 -7.466 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.605 -3.857 -9.499 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.231 -3.802 -10.186 1.00 0.00 H new ATOM 856 N ARG A 56 -0.967 -3.086 -3.773 1.00 0.00 N ATOM 857 CA ARG A 56 -1.182 -2.456 -2.481 1.00 0.00 C ATOM 858 C ARG A 56 -1.017 -0.939 -2.595 1.00 0.00 C ATOM 859 O ARG A 56 -1.943 -0.186 -2.301 1.00 0.00 O ATOM 860 CB ARG A 56 -0.201 -2.992 -1.436 1.00 0.00 C ATOM 861 CG ARG A 56 -0.739 -2.782 -0.020 1.00 0.00 C ATOM 862 CD ARG A 56 -0.107 -3.773 0.960 1.00 0.00 C ATOM 863 NE ARG A 56 1.362 -3.796 0.777 1.00 0.00 N ATOM 864 CZ ARG A 56 2.177 -2.789 1.118 1.00 0.00 C ATOM 865 NH1 ARG A 56 1.673 -1.673 1.660 1.00 0.00 N ATOM 866 NH2 ARG A 56 3.498 -2.898 0.916 1.00 0.00 N ATOM 0 H ARG A 56 -0.248 -3.810 -3.781 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.198 -2.691 -2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.025 -4.054 -1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.760 -2.488 -1.542 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.531 -1.762 0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.822 -2.903 -0.017 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.350 -3.490 1.984 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.518 -4.770 0.799 1.00 0.00 H new ATOM 0 HE ARG A 56 1.780 -4.631 0.366 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.668 -1.589 1.813 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.294 -0.907 1.919 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.882 -3.748 0.503 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.119 -2.131 1.176 1.00 0.00 H new ATOM 880 N LEU A 57 0.171 -0.536 -3.024 1.00 0.00 N ATOM 881 CA LEU A 57 0.469 0.877 -3.181 1.00 0.00 C ATOM 882 C LEU A 57 -0.527 1.498 -4.162 1.00 0.00 C ATOM 883 O LEU A 57 -1.166 2.502 -3.851 1.00 0.00 O ATOM 884 CB LEU A 57 1.932 1.074 -3.583 1.00 0.00 C ATOM 885 CG LEU A 57 2.348 2.507 -3.920 1.00 0.00 C ATOM 886 CD1 LEU A 57 2.037 2.839 -5.380 1.00 0.00 C ATOM 887 CD2 LEU A 57 1.706 3.506 -2.955 1.00 0.00 C ATOM 0 H LEU A 57 0.937 -1.163 -3.267 1.00 0.00 H new ATOM 0 HA LEU A 57 0.350 1.399 -2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.563 0.715 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.138 0.444 -4.448 1.00 0.00 H new ATOM 0 HG LEU A 57 3.428 2.588 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.342 3.863 -5.593 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.580 2.155 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.966 2.735 -5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.018 4.517 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.621 3.432 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.021 3.281 -1.936 1.00 0.00 H new ATOM 899 N ARG A 58 -0.628 0.876 -5.327 1.00 0.00 N ATOM 900 CA ARG A 58 -1.535 1.355 -6.356 1.00 0.00 C ATOM 901 C ARG A 58 -2.903 1.676 -5.749 1.00 0.00 C ATOM 902 O ARG A 58 -3.652 2.488 -6.291 1.00 0.00 O ATOM 903 CB ARG A 58 -1.708 0.317 -7.466 1.00 0.00 C ATOM 904 CG ARG A 58 -1.278 0.885 -8.820 1.00 0.00 C ATOM 905 CD ARG A 58 -2.478 1.445 -9.586 1.00 0.00 C ATOM 906 NE ARG A 58 -2.814 0.556 -10.720 1.00 0.00 N ATOM 907 CZ ARG A 58 -3.979 0.589 -11.381 1.00 0.00 C ATOM 908 NH1 ARG A 58 -4.926 1.468 -11.025 1.00 0.00 N ATOM 909 NH2 ARG A 58 -4.197 -0.256 -12.398 1.00 0.00 N ATOM 0 H ARG A 58 -0.096 0.044 -5.581 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.102 2.259 -6.785 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.117 -0.569 -7.235 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.750 0.001 -7.514 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.539 1.672 -8.670 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.798 0.104 -9.410 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.335 1.537 -8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.251 2.446 -9.953 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.115 -0.125 -11.017 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.760 2.111 -10.251 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.813 1.494 -11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.476 -0.925 -12.669 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.084 -0.231 -12.901 1.00 0.00 H new ATOM 923 N LYS A 59 -3.188 1.021 -4.633 1.00 0.00 N ATOM 924 CA LYS A 59 -4.453 1.225 -3.948 1.00 0.00 C ATOM 925 C LYS A 59 -4.283 2.318 -2.890 1.00 0.00 C ATOM 926 O LYS A 59 -5.200 3.102 -2.650 1.00 0.00 O ATOM 927 CB LYS A 59 -4.978 -0.097 -3.387 1.00 0.00 C ATOM 928 CG LYS A 59 -6.133 0.141 -2.411 1.00 0.00 C ATOM 929 CD LYS A 59 -7.357 0.702 -3.136 1.00 0.00 C ATOM 930 CE LYS A 59 -8.132 1.668 -2.238 1.00 0.00 C ATOM 931 NZ LYS A 59 -9.477 1.929 -2.796 1.00 0.00 N ATOM 0 H LYS A 59 -2.565 0.349 -4.186 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.214 1.572 -4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.314 -0.735 -4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.172 -0.627 -2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.395 -0.795 -1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.818 0.835 -1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.042 1.217 -4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.008 -0.116 -3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.223 1.249 -1.236 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.583 2.605 -2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.989 2.587 -2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.384 2.349 -3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.004 1.035 -2.864 1.00 0.00 H new ATOM 945 N ILE A 60 -3.104 2.334 -2.286 1.00 0.00 N ATOM 946 CA ILE A 60 -2.803 3.318 -1.259 1.00 0.00 C ATOM 947 C ILE A 60 -2.872 4.720 -1.867 1.00 0.00 C ATOM 948 O ILE A 60 -3.467 5.625 -1.283 1.00 0.00 O ATOM 949 CB ILE A 60 -1.463 3.002 -0.591 1.00 0.00 C ATOM 950 CG1 ILE A 60 -1.560 1.734 0.259 1.00 0.00 C ATOM 951 CG2 ILE A 60 -0.958 4.198 0.218 1.00 0.00 C ATOM 952 CD1 ILE A 60 -0.321 1.569 1.141 1.00 0.00 C ATOM 0 H ILE A 60 -2.346 1.682 -2.488 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.547 3.278 -0.463 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.728 2.810 -1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.452 1.778 0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.668 0.865 -0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.004 3.947 0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.825 5.054 -0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.684 4.446 0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.416 0.660 1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.567 1.501 0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.230 2.428 1.805 1.00 0.00 H new ATOM 964 N GLU A 61 -2.254 4.857 -3.031 1.00 0.00 N ATOM 965 CA GLU A 61 -2.238 6.134 -3.724 1.00 0.00 C ATOM 966 C GLU A 61 -3.663 6.660 -3.901 1.00 0.00 C ATOM 967 O GLU A 61 -3.917 7.850 -3.716 1.00 0.00 O ATOM 968 CB GLU A 61 -1.525 6.017 -5.073 1.00 0.00 C ATOM 969 CG GLU A 61 -0.051 5.653 -4.884 1.00 0.00 C ATOM 970 CD GLU A 61 0.746 6.847 -4.355 1.00 0.00 C ATOM 971 OE1 GLU A 61 0.667 7.913 -5.003 1.00 0.00 O ATOM 972 OE2 GLU A 61 1.415 6.668 -3.315 1.00 0.00 O ATOM 0 H GLU A 61 -1.761 4.105 -3.512 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.681 6.848 -3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.015 5.258 -5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.604 6.960 -5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.035 4.818 -4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.370 5.322 -5.833 1.00 0.00 H new ATOM 979 N ILE A 62 -4.557 5.749 -4.257 1.00 0.00 N ATOM 980 CA ILE A 62 -5.950 6.106 -4.461 1.00 0.00 C ATOM 981 C ILE A 62 -6.515 6.697 -3.168 1.00 0.00 C ATOM 982 O ILE A 62 -7.060 7.800 -3.172 1.00 0.00 O ATOM 983 CB ILE A 62 -6.740 4.905 -4.984 1.00 0.00 C ATOM 984 CG1 ILE A 62 -6.115 4.355 -6.268 1.00 0.00 C ATOM 985 CG2 ILE A 62 -8.217 5.259 -5.171 1.00 0.00 C ATOM 986 CD1 ILE A 62 -6.622 2.942 -6.563 1.00 0.00 C ATOM 0 H ILE A 62 -4.343 4.763 -4.409 1.00 0.00 H new ATOM 0 HA ILE A 62 -6.037 6.875 -5.229 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.691 4.113 -4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.354 5.013 -7.104 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.029 4.343 -6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.756 4.388 -5.544 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.641 5.567 -4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.308 6.075 -5.888 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.162 2.575 -7.481 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.360 2.282 -5.736 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.705 2.962 -6.683 1.00 0.00 H new ATOM 998 N LEU A 63 -6.366 5.938 -2.092 1.00 0.00 N ATOM 999 CA LEU A 63 -6.854 6.373 -0.795 1.00 0.00 C ATOM 1000 C LEU A 63 -6.410 7.815 -0.545 1.00 0.00 C ATOM 1001 O LEU A 63 -7.241 8.717 -0.451 1.00 0.00 O ATOM 1002 CB LEU A 63 -6.416 5.396 0.298 1.00 0.00 C ATOM 1003 CG LEU A 63 -7.217 4.096 0.397 1.00 0.00 C ATOM 1004 CD1 LEU A 63 -6.318 2.928 0.806 1.00 0.00 C ATOM 1005 CD2 LEU A 63 -8.411 4.259 1.339 1.00 0.00 C ATOM 0 H LEU A 63 -5.914 5.024 -2.092 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.944 6.367 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.369 5.142 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.472 5.908 1.259 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.616 3.864 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.912 2.016 0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.531 2.797 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.870 3.137 1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.964 3.321 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.056 4.527 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.066 5.045 0.964 1.00 0.00 H new ATOM 1017 N THR A 64 -5.100 7.988 -0.445 1.00 0.00 N ATOM 1018 CA THR A 64 -4.535 9.306 -0.207 1.00 0.00 C ATOM 1019 C THR A 64 -5.192 10.340 -1.123 1.00 0.00 C ATOM 1020 O THR A 64 -5.543 10.033 -2.261 1.00 0.00 O ATOM 1021 CB THR A 64 -3.019 9.209 -0.388 1.00 0.00 C ATOM 1022 OG1 THR A 64 -2.570 8.544 0.789 1.00 0.00 O ATOM 1023 CG2 THR A 64 -2.334 10.576 -0.327 1.00 0.00 C ATOM 0 H THR A 64 -4.414 7.238 -0.524 1.00 0.00 H new ATOM 0 HA THR A 64 -4.734 9.645 0.809 1.00 0.00 H new ATOM 0 HB THR A 64 -2.798 8.734 -1.344 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.596 8.438 0.754 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.260 10.451 -0.461 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.726 11.215 -1.118 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.528 11.037 0.642 1.00 0.00 H new ATOM 1031 N PRO A 65 -5.341 11.577 -0.578 1.00 0.00 N ATOM 1032 CA PRO A 65 -5.949 12.659 -1.334 1.00 0.00 C ATOM 1033 C PRO A 65 -4.983 13.203 -2.388 1.00 0.00 C ATOM 1034 O PRO A 65 -5.277 13.167 -3.582 1.00 0.00 O ATOM 1035 CB PRO A 65 -6.337 13.697 -0.293 1.00 0.00 C ATOM 1036 CG PRO A 65 -5.518 13.370 0.946 1.00 0.00 C ATOM 1037 CD PRO A 65 -4.936 11.978 0.766 1.00 0.00 C ATOM 0 HA PRO A 65 -6.822 12.336 -1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.123 14.705 -0.648 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.405 13.655 -0.078 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.722 14.102 1.081 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.143 13.410 1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.851 11.987 0.866 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.320 11.288 1.518 1.00 0.00 H new ATOM 1045 N GLU A 66 -3.849 13.693 -1.909 1.00 0.00 N ATOM 1046 CA GLU A 66 -2.838 14.243 -2.796 1.00 0.00 C ATOM 1047 C GLU A 66 -2.250 13.140 -3.680 1.00 0.00 C ATOM 1048 O GLU A 66 -1.572 12.240 -3.187 1.00 0.00 O ATOM 1049 CB GLU A 66 -1.739 14.952 -2.002 1.00 0.00 C ATOM 1050 CG GLU A 66 -1.758 16.459 -2.265 1.00 0.00 C ATOM 1051 CD GLU A 66 -0.647 17.166 -1.487 1.00 0.00 C ATOM 1052 OE1 GLU A 66 0.485 17.197 -2.016 1.00 0.00 O ATOM 1053 OE2 GLU A 66 -0.954 17.659 -0.381 1.00 0.00 O ATOM 0 H GLU A 66 -3.608 13.721 -0.918 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.312 14.984 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.875 14.763 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.766 14.544 -2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.636 16.647 -3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.726 16.870 -1.978 1.00 0.00 H new ATOM 1060 N VAL A 67 -2.532 13.247 -4.970 1.00 0.00 N ATOM 1061 CA VAL A 67 -2.040 12.270 -5.927 1.00 0.00 C ATOM 1062 C VAL A 67 -2.234 12.810 -7.345 1.00 0.00 C ATOM 1063 O VAL A 67 -3.346 13.165 -7.732 1.00 0.00 O ATOM 1064 CB VAL A 67 -2.729 10.923 -5.701 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -4.246 11.050 -5.857 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -2.169 9.856 -6.642 1.00 0.00 C ATOM 0 H VAL A 67 -3.095 13.995 -5.375 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.972 12.101 -5.786 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.522 10.609 -4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.711 10.078 -5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.628 11.764 -5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.480 11.398 -6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.676 8.908 -6.460 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.330 10.162 -7.676 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.101 9.736 -6.462 1.00 0.00 H new ATOM 1076 N ASN A 68 -1.133 12.855 -8.082 1.00 0.00 N ATOM 1077 CA ASN A 68 -1.168 13.346 -9.449 1.00 0.00 C ATOM 1078 C ASN A 68 -1.475 12.184 -10.396 1.00 0.00 C ATOM 1079 O ASN A 68 -0.570 11.462 -10.813 1.00 0.00 O ATOM 1080 CB ASN A 68 0.182 13.942 -9.854 1.00 0.00 C ATOM 1081 CG ASN A 68 0.050 15.435 -10.165 1.00 0.00 C ATOM 1082 OD1 ASN A 68 0.354 16.293 -9.353 1.00 0.00 O ATOM 1083 ND2 ASN A 68 -0.417 15.695 -11.382 1.00 0.00 N ATOM 0 H ASN A 68 -0.212 12.560 -7.758 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.936 14.117 -9.511 1.00 0.00 H new ATOM 0 HB2 ASN A 68 0.904 13.797 -9.050 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.568 13.417 -10.728 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.540 16.661 -11.685 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.652 14.928 -12.012 1.00 0.00 H new ATOM 1090 N LYS A 69 -2.754 12.038 -10.708 1.00 0.00 N ATOM 1091 CA LYS A 69 -3.191 10.976 -11.598 1.00 0.00 C ATOM 1092 C LYS A 69 -4.113 11.562 -12.669 1.00 0.00 C ATOM 1093 O LYS A 69 -5.236 11.968 -12.373 1.00 0.00 O ATOM 1094 CB LYS A 69 -3.824 9.835 -10.799 1.00 0.00 C ATOM 1095 CG LYS A 69 -3.503 8.479 -11.431 1.00 0.00 C ATOM 1096 CD LYS A 69 -2.046 8.087 -11.176 1.00 0.00 C ATOM 1097 CE LYS A 69 -1.563 7.070 -12.212 1.00 0.00 C ATOM 1098 NZ LYS A 69 -0.443 7.629 -13.003 1.00 0.00 N ATOM 0 H LYS A 69 -3.502 12.638 -10.360 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.338 10.537 -12.116 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.457 9.858 -9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.904 9.973 -10.755 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.166 7.717 -11.021 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.690 8.520 -12.504 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.415 8.975 -11.211 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.949 7.666 -10.175 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.242 6.156 -11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.385 6.799 -12.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.127 6.926 -13.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.761 8.488 -13.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.346 7.866 -12.368 1.00 0.00 H new ATOM 1112 N GLY A 70 -3.604 11.587 -13.893 1.00 0.00 N ATOM 1113 CA GLY A 70 -4.368 12.116 -15.010 1.00 0.00 C ATOM 1114 C GLY A 70 -5.293 11.047 -15.596 1.00 0.00 C ATOM 1115 O GLY A 70 -4.833 10.114 -16.252 1.00 0.00 O ATOM 0 H GLY A 70 -2.672 11.250 -14.135 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.958 12.971 -14.680 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.688 12.477 -15.782 1.00 0.00 H new ATOM 1119 N SER A 71 -6.581 11.220 -15.339 1.00 0.00 N ATOM 1120 CA SER A 71 -7.575 10.283 -15.833 1.00 0.00 C ATOM 1121 C SER A 71 -8.704 11.039 -16.537 1.00 0.00 C ATOM 1122 O SER A 71 -8.813 12.258 -16.410 1.00 0.00 O ATOM 1123 CB SER A 71 -8.139 9.427 -14.696 1.00 0.00 C ATOM 1124 OG SER A 71 -7.925 8.036 -14.918 1.00 0.00 O ATOM 0 H SER A 71 -6.959 11.995 -14.795 1.00 0.00 H new ATOM 0 HA SER A 71 -7.091 9.617 -16.548 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.672 9.720 -13.756 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.207 9.618 -14.594 1.00 0.00 H new ATOM 0 HG SER A 71 -8.298 7.524 -14.170 1.00 0.00 H new ATOM 1130 N GLY A 72 -9.514 10.285 -17.265 1.00 0.00 N ATOM 1131 CA GLY A 72 -10.630 10.869 -17.990 1.00 0.00 C ATOM 1132 C GLY A 72 -11.862 9.965 -17.921 1.00 0.00 C ATOM 1133 O GLY A 72 -12.085 9.288 -16.918 1.00 0.00 O ATOM 0 H GLY A 72 -9.420 9.275 -17.369 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.868 11.847 -17.572 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.349 11.028 -19.031 1.00 0.00 H new ATOM 1137 N PRO A 73 -12.652 9.983 -19.028 1.00 0.00 N ATOM 1138 CA PRO A 73 -13.856 9.173 -19.102 1.00 0.00 C ATOM 1139 C PRO A 73 -13.512 7.700 -19.329 1.00 0.00 C ATOM 1140 O PRO A 73 -12.378 7.369 -19.671 1.00 0.00 O ATOM 1141 CB PRO A 73 -14.666 9.776 -20.238 1.00 0.00 C ATOM 1142 CG PRO A 73 -13.686 10.601 -21.057 1.00 0.00 C ATOM 1143 CD PRO A 73 -12.419 10.772 -20.234 1.00 0.00 C ATOM 0 HA PRO A 73 -14.428 9.183 -18.174 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.125 8.997 -20.847 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.474 10.398 -19.854 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.464 10.103 -22.001 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -14.116 11.572 -21.302 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.543 10.417 -20.777 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -12.241 11.820 -19.993 1.00 0.00 H new ATOM 1151 N SER A 74 -14.513 6.855 -19.130 1.00 0.00 N ATOM 1152 CA SER A 74 -14.331 5.424 -19.309 1.00 0.00 C ATOM 1153 C SER A 74 -15.691 4.738 -19.453 1.00 0.00 C ATOM 1154 O SER A 74 -16.331 4.406 -18.456 1.00 0.00 O ATOM 1155 CB SER A 74 -13.551 4.818 -18.140 1.00 0.00 C ATOM 1156 OG SER A 74 -14.124 5.161 -16.881 1.00 0.00 O ATOM 0 H SER A 74 -15.452 7.133 -18.847 1.00 0.00 H new ATOM 0 HA SER A 74 -13.752 5.263 -20.219 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.527 3.733 -18.244 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.518 5.165 -18.175 1.00 0.00 H new ATOM 0 HG SER A 74 -15.096 5.042 -16.921 1.00 0.00 H new ATOM 1162 N SER A 75 -16.091 4.544 -20.701 1.00 0.00 N ATOM 1163 CA SER A 75 -17.363 3.903 -20.987 1.00 0.00 C ATOM 1164 C SER A 75 -18.506 4.701 -20.356 1.00 0.00 C ATOM 1165 O SER A 75 -18.986 4.356 -19.277 1.00 0.00 O ATOM 1166 CB SER A 75 -17.380 2.460 -20.480 1.00 0.00 C ATOM 1167 OG SER A 75 -18.490 1.727 -20.990 1.00 0.00 O ATOM 0 H SER A 75 -15.557 4.819 -21.525 1.00 0.00 H new ATOM 0 HA SER A 75 -17.498 3.881 -22.068 1.00 0.00 H new ATOM 0 HB2 SER A 75 -16.454 1.963 -20.770 1.00 0.00 H new ATOM 0 HB3 SER A 75 -17.415 2.459 -19.391 1.00 0.00 H new ATOM 0 HG SER A 75 -18.464 0.810 -20.644 1.00 0.00 H new ATOM 1173 N GLY A 76 -18.908 5.753 -21.054 1.00 0.00 N ATOM 1174 CA GLY A 76 -19.985 6.602 -20.575 1.00 0.00 C ATOM 1175 C GLY A 76 -21.335 5.890 -20.683 1.00 0.00 C ATOM 1176 O GLY A 76 -21.471 4.743 -20.260 1.00 0.00 O ATOM 0 H GLY A 76 -18.507 6.037 -21.948 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -19.799 6.881 -19.538 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -20.010 7.525 -21.154 1.00 0.00 H new TER 1180 GLY A 76