USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 584 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 67 SER OG : rot -115:sc= 0.392 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -130:sc= 0.827 (180deg=-0.3) USER MOD Set 2.1: A 14 ASN : amide:sc= -1.51 K(o=-1.5,f=-0.55) USER MOD Set 2.2: A 55 TYR OH : rot 180:sc= -0.0251 USER MOD Set 3.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 8 ASN : amide:sc= -0.0996 K(o=-0.1,f=-2.2!) USER MOD Single : A 1 GLY N :NH3+ -141:sc= -0.185 (180deg=-0.993) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0014 USER MOD Single : A 5 MET CE :methyl 150:sc= -2.36 (180deg=-3.19!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 26 GLN : amide:sc= -2.51! K(o=-2.5!,f=-0.96) USER MOD Single : A 27 HIS : no HD1:sc= -0.933 K(o=-0.93,f=-0.35) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0557 USER MOD Single : A 44 HIS : no HD1:sc= -0.129 K(o=-0.13,f=-1.1) USER MOD Single : A 52 CYS SG : rot 27:sc= 0.702 USER MOD Single : A 59 HIS : no HD1:sc= -0.459 X(o=-0.46,f=-0.051) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc=0.000706 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.572 25.011 -25.531 1.00 64.54 N ATOM 2 CA GLY A 1 -19.432 24.673 -26.968 1.00 63.31 C ATOM 3 C GLY A 1 -20.765 24.694 -27.696 1.00 45.41 C ATOM 4 O GLY A 1 -21.324 23.634 -27.991 1.00 52.30 O ATOM 0 H1 GLY A 1 -18.771 25.605 -25.234 1.00 64.54 H new ATOM 0 H2 GLY A 1 -20.461 25.529 -25.381 1.00 64.54 H new ATOM 0 H3 GLY A 1 -19.582 24.137 -24.968 1.00 64.54 H new ATOM 0 HA2 GLY A 1 -18.751 25.380 -27.441 1.00 63.31 H new ATOM 0 HA3 GLY A 1 -18.983 23.685 -27.065 1.00 63.31 H new ATOM 10 N PRO A 2 -21.311 25.892 -27.993 1.00 71.21 N ATOM 11 CA PRO A 2 -22.602 26.027 -28.680 1.00 1.44 C ATOM 12 C PRO A 2 -22.540 25.518 -30.125 1.00 72.44 C ATOM 13 O PRO A 2 -23.116 24.481 -30.457 1.00 54.42 O ATOM 14 CB PRO A 2 -22.891 27.544 -28.637 1.00 51.43 C ATOM 15 CG PRO A 2 -21.932 28.099 -27.631 1.00 23.45 C ATOM 16 CD PRO A 2 -20.723 27.207 -27.683 1.00 11.23 C ATOM 0 HA PRO A 2 -23.382 25.433 -28.204 1.00 1.44 H new ATOM 0 HB2 PRO A 2 -22.743 28.001 -29.616 1.00 51.43 H new ATOM 0 HB3 PRO A 2 -23.923 27.740 -28.347 1.00 51.43 H new ATOM 0 HG2 PRO A 2 -21.668 29.129 -27.869 1.00 23.45 H new ATOM 0 HG3 PRO A 2 -22.371 28.105 -26.633 1.00 23.45 H new ATOM 0 HD2 PRO A 2 -20.016 27.526 -28.449 1.00 11.23 H new ATOM 0 HD3 PRO A 2 -20.184 27.198 -26.735 1.00 11.23 H new ATOM 24 N GLY A 3 -21.806 26.243 -30.968 1.00 40.44 N ATOM 25 CA GLY A 3 -21.698 25.892 -32.376 1.00 52.53 C ATOM 26 C GLY A 3 -20.318 25.377 -32.729 1.00 44.43 C ATOM 27 O GLY A 3 -19.753 25.736 -33.769 1.00 41.21 O ATOM 0 H GLY A 3 -21.280 27.074 -30.698 1.00 40.44 H new ATOM 0 HA2 GLY A 3 -22.441 25.132 -32.618 1.00 52.53 H new ATOM 0 HA3 GLY A 3 -21.926 26.766 -32.986 1.00 52.53 H new ATOM 31 N SER A 4 -19.765 24.543 -31.854 1.00 41.10 N ATOM 32 CA SER A 4 -18.453 23.951 -32.078 1.00 64.44 C ATOM 33 C SER A 4 -18.506 22.976 -33.259 1.00 54.20 C ATOM 34 O SER A 4 -19.018 21.862 -33.136 1.00 10.33 O ATOM 35 CB SER A 4 -17.981 23.243 -30.800 1.00 64.41 C ATOM 36 OG SER A 4 -18.069 24.116 -29.684 1.00 10.53 O ATOM 0 H SER A 4 -20.208 24.262 -30.980 1.00 41.10 H new ATOM 0 HA SER A 4 -17.739 24.737 -32.323 1.00 64.44 H new ATOM 0 HB2 SER A 4 -18.589 22.356 -30.623 1.00 64.41 H new ATOM 0 HB3 SER A 4 -16.952 22.905 -30.924 1.00 64.41 H new ATOM 0 HG SER A 4 -17.766 23.648 -28.878 1.00 10.53 H new ATOM 42 N MET A 5 -17.999 23.422 -34.411 1.00 31.34 N ATOM 43 CA MET A 5 -18.021 22.622 -35.637 1.00 4.33 C ATOM 44 C MET A 5 -16.780 21.737 -35.735 1.00 34.52 C ATOM 45 O MET A 5 -16.692 20.881 -36.614 1.00 40.22 O ATOM 46 CB MET A 5 -18.083 23.533 -36.876 1.00 72.43 C ATOM 47 CG MET A 5 -19.312 24.440 -36.958 1.00 13.45 C ATOM 48 SD MET A 5 -20.859 23.544 -37.235 1.00 24.43 S ATOM 49 CE MET A 5 -21.391 23.200 -35.560 1.00 72.00 C ATOM 0 H MET A 5 -17.566 24.339 -34.520 1.00 31.34 H new ATOM 0 HA MET A 5 -18.909 21.991 -35.601 1.00 4.33 H new ATOM 0 HB2 MET A 5 -17.189 24.157 -36.893 1.00 72.43 H new ATOM 0 HB3 MET A 5 -18.053 22.908 -37.768 1.00 72.43 H new ATOM 0 HG2 MET A 5 -19.394 25.011 -36.033 1.00 13.45 H new ATOM 0 HG3 MET A 5 -19.169 25.159 -37.765 1.00 13.45 H new ATOM 0 HE1 MET A 5 -22.480 23.159 -35.525 1.00 72.00 H new ATOM 0 HE2 MET A 5 -20.982 22.243 -35.238 1.00 72.00 H new ATOM 0 HE3 MET A 5 -21.036 23.988 -34.896 1.00 72.00 H new ATOM 59 N SER A 6 -15.821 21.949 -34.838 1.00 74.20 N ATOM 60 CA SER A 6 -14.544 21.245 -34.899 1.00 0.11 C ATOM 61 C SER A 6 -13.990 20.980 -33.498 1.00 25.10 C ATOM 62 O SER A 6 -14.139 21.808 -32.595 1.00 15.20 O ATOM 63 CB SER A 6 -13.547 22.074 -35.724 1.00 43.50 C ATOM 64 OG SER A 6 -13.474 23.415 -35.254 1.00 53.04 O ATOM 0 H SER A 6 -15.904 22.603 -34.060 1.00 74.20 H new ATOM 0 HA SER A 6 -14.699 20.278 -35.378 1.00 0.11 H new ATOM 0 HB2 SER A 6 -12.560 21.615 -35.673 1.00 43.50 H new ATOM 0 HB3 SER A 6 -13.847 22.070 -36.772 1.00 43.50 H new ATOM 0 HG SER A 6 -12.831 23.917 -35.797 1.00 53.04 H new ATOM 70 N ILE A 7 -13.368 19.813 -33.321 1.00 31.23 N ATOM 71 CA ILE A 7 -12.697 19.469 -32.073 1.00 15.14 C ATOM 72 C ILE A 7 -11.192 19.659 -32.239 1.00 55.21 C ATOM 73 O ILE A 7 -10.503 18.780 -32.765 1.00 65.33 O ATOM 74 CB ILE A 7 -12.984 18.003 -31.647 1.00 4.15 C ATOM 75 CG1 ILE A 7 -14.498 17.754 -31.566 1.00 23.20 C ATOM 76 CG2 ILE A 7 -12.316 17.688 -30.307 1.00 34.01 C ATOM 77 CD1 ILE A 7 -14.867 16.318 -31.244 1.00 34.15 C ATOM 0 H ILE A 7 -13.317 19.087 -34.035 1.00 31.23 H new ATOM 0 HA ILE A 7 -13.082 20.127 -31.294 1.00 15.14 H new ATOM 0 HB ILE A 7 -12.564 17.339 -32.402 1.00 4.15 H new ATOM 0 HG12 ILE A 7 -14.924 18.408 -30.805 1.00 23.20 H new ATOM 0 HG13 ILE A 7 -14.954 18.032 -32.516 1.00 23.20 H new ATOM 0 HG21 ILE A 7 -12.530 16.656 -30.027 1.00 34.01 H new ATOM 0 HG22 ILE A 7 -11.238 17.824 -30.397 1.00 34.01 H new ATOM 0 HG23 ILE A 7 -12.703 18.359 -29.541 1.00 34.01 H new ATOM 0 HD11 ILE A 7 -15.952 16.221 -31.204 1.00 34.15 H new ATOM 0 HD12 ILE A 7 -14.472 15.659 -32.017 1.00 34.15 H new ATOM 0 HD13 ILE A 7 -14.442 16.041 -30.279 1.00 34.15 H new ATOM 89 N ASN A 8 -10.698 20.822 -31.829 1.00 54.12 N ATOM 90 CA ASN A 8 -9.284 21.158 -31.974 1.00 25.44 C ATOM 91 C ASN A 8 -8.424 20.325 -31.024 1.00 50.11 C ATOM 92 O ASN A 8 -8.534 20.466 -29.803 1.00 64.43 O ATOM 93 CB ASN A 8 -9.053 22.652 -31.710 1.00 20.10 C ATOM 94 CG ASN A 8 -9.684 23.542 -32.769 1.00 43.15 C ATOM 95 OD1 ASN A 8 -10.720 23.208 -33.350 1.00 32.04 O ATOM 96 ND2 ASN A 8 -9.058 24.674 -33.036 1.00 53.11 N ATOM 0 H ASN A 8 -11.259 21.553 -31.391 1.00 54.12 H new ATOM 0 HA ASN A 8 -8.991 20.930 -32.999 1.00 25.44 H new ATOM 0 HB2 ASN A 8 -9.462 22.911 -30.733 1.00 20.10 H new ATOM 0 HB3 ASN A 8 -7.981 22.848 -31.669 1.00 20.10 H new ATOM 0 HD21 ASN A 8 -9.429 25.307 -33.744 1.00 53.11 H new ATOM 0 HD22 ASN A 8 -8.204 24.915 -32.534 1.00 53.11 H new ATOM 103 N PRO A 9 -7.566 19.443 -31.570 1.00 24.42 N ATOM 104 CA PRO A 9 -6.693 18.587 -30.771 1.00 34.30 C ATOM 105 C PRO A 9 -5.382 19.279 -30.383 1.00 64.14 C ATOM 106 O PRO A 9 -5.086 20.386 -30.844 1.00 71.44 O ATOM 107 CB PRO A 9 -6.429 17.414 -31.717 1.00 41.24 C ATOM 108 CG PRO A 9 -6.426 18.030 -33.077 1.00 53.41 C ATOM 109 CD PRO A 9 -7.382 19.201 -33.020 1.00 62.43 C ATOM 0 HA PRO A 9 -7.142 18.304 -29.819 1.00 34.30 H new ATOM 0 HB2 PRO A 9 -5.477 16.932 -31.497 1.00 41.24 H new ATOM 0 HB3 PRO A 9 -7.201 16.650 -31.628 1.00 41.24 H new ATOM 0 HG2 PRO A 9 -5.424 18.360 -33.351 1.00 53.41 H new ATOM 0 HG3 PRO A 9 -6.741 17.308 -33.831 1.00 53.41 H new ATOM 0 HD2 PRO A 9 -6.971 20.077 -33.522 1.00 62.43 H new ATOM 0 HD3 PRO A 9 -8.328 18.968 -33.509 1.00 62.43 H new ATOM 117 N PHE A 10 -4.600 18.611 -29.542 1.00 40.41 N ATOM 118 CA PHE A 10 -3.314 19.132 -29.081 1.00 31.52 C ATOM 119 C PHE A 10 -2.163 18.337 -29.703 1.00 72.32 C ATOM 120 O PHE A 10 -2.387 17.472 -30.555 1.00 51.11 O ATOM 121 CB PHE A 10 -3.247 19.099 -27.543 1.00 3.43 C ATOM 122 CG PHE A 10 -3.741 17.808 -26.932 1.00 33.53 C ATOM 123 CD1 PHE A 10 -2.892 16.721 -26.780 1.00 51.51 C ATOM 124 CD2 PHE A 10 -5.060 17.685 -26.514 1.00 15.31 C ATOM 125 CE1 PHE A 10 -3.349 15.541 -26.225 1.00 54.40 C ATOM 126 CE2 PHE A 10 -5.520 16.506 -25.958 1.00 50.24 C ATOM 127 CZ PHE A 10 -4.662 15.433 -25.814 1.00 35.42 C ATOM 0 H PHE A 10 -4.837 17.695 -29.160 1.00 40.41 H new ATOM 0 HA PHE A 10 -3.217 20.169 -29.402 1.00 31.52 H new ATOM 0 HB2 PHE A 10 -2.216 19.265 -27.231 1.00 3.43 H new ATOM 0 HB3 PHE A 10 -3.837 19.925 -27.146 1.00 3.43 H new ATOM 0 HD1 PHE A 10 -1.863 16.798 -27.099 1.00 51.51 H new ATOM 0 HD2 PHE A 10 -5.735 18.521 -26.625 1.00 15.31 H new ATOM 0 HE1 PHE A 10 -2.678 14.702 -26.113 1.00 54.40 H new ATOM 0 HE2 PHE A 10 -6.548 16.424 -25.637 1.00 50.24 H new ATOM 0 HZ PHE A 10 -5.018 14.510 -25.380 1.00 35.42 H new ATOM 137 N ASP A 11 -0.936 18.638 -29.276 1.00 1.54 N ATOM 138 CA ASP A 11 0.262 17.996 -29.824 1.00 3.31 C ATOM 139 C ASP A 11 0.243 16.486 -29.608 1.00 75.40 C ATOM 140 O ASP A 11 -0.396 15.980 -28.679 1.00 13.31 O ATOM 141 CB ASP A 11 1.533 18.589 -29.196 1.00 60.33 C ATOM 142 CG ASP A 11 1.744 20.049 -29.560 1.00 70.42 C ATOM 143 OD1 ASP A 11 1.204 20.925 -28.855 1.00 15.20 O ATOM 144 OD2 ASP A 11 2.450 20.331 -30.551 1.00 63.02 O ATOM 0 H ASP A 11 -0.744 19.326 -28.548 1.00 1.54 H new ATOM 0 HA ASP A 11 0.265 18.189 -30.897 1.00 3.31 H new ATOM 0 HB2 ASP A 11 1.475 18.494 -28.112 1.00 60.33 H new ATOM 0 HB3 ASP A 11 2.397 18.010 -29.521 1.00 60.33 H new ATOM 149 N ASP A 12 0.968 15.783 -30.470 1.00 41.24 N ATOM 150 CA ASP A 12 1.056 14.321 -30.438 1.00 42.44 C ATOM 151 C ASP A 12 1.647 13.816 -29.123 1.00 73.54 C ATOM 152 O ASP A 12 1.383 12.684 -28.716 1.00 63.12 O ATOM 153 CB ASP A 12 1.911 13.824 -31.617 1.00 5.22 C ATOM 154 CG ASP A 12 3.273 14.507 -31.685 1.00 31.25 C ATOM 155 OD1 ASP A 12 3.337 15.663 -32.162 1.00 43.52 O ATOM 156 OD2 ASP A 12 4.285 13.903 -31.261 1.00 14.35 O ATOM 0 H ASP A 12 1.516 16.210 -31.217 1.00 41.24 H new ATOM 0 HA ASP A 12 0.044 13.926 -30.522 1.00 42.44 H new ATOM 0 HB2 ASP A 12 2.053 12.747 -31.529 1.00 5.22 H new ATOM 0 HB3 ASP A 12 1.374 13.999 -32.549 1.00 5.22 H new ATOM 161 N ASP A 13 2.428 14.669 -28.461 1.00 11.11 N ATOM 162 CA ASP A 13 3.124 14.301 -27.223 1.00 23.12 C ATOM 163 C ASP A 13 2.175 13.682 -26.199 1.00 30.54 C ATOM 164 O ASP A 13 2.389 12.565 -25.739 1.00 12.41 O ATOM 165 CB ASP A 13 3.802 15.533 -26.605 1.00 74.53 C ATOM 166 CG ASP A 13 4.860 16.138 -27.512 1.00 12.31 C ATOM 167 OD1 ASP A 13 6.023 15.679 -27.467 1.00 73.14 O ATOM 168 OD2 ASP A 13 4.528 17.067 -28.280 1.00 60.13 O ATOM 0 H ASP A 13 2.597 15.629 -28.763 1.00 11.11 H new ATOM 0 HA ASP A 13 3.876 13.557 -27.486 1.00 23.12 H new ATOM 0 HB2 ASP A 13 3.046 16.286 -26.384 1.00 74.53 H new ATOM 0 HB3 ASP A 13 4.260 15.253 -25.656 1.00 74.53 H new ATOM 173 N ASN A 14 1.113 14.407 -25.869 1.00 10.01 N ATOM 174 CA ASN A 14 0.185 13.993 -24.810 1.00 44.32 C ATOM 175 C ASN A 14 -0.916 13.077 -25.359 1.00 62.12 C ATOM 176 O ASN A 14 -1.858 12.727 -24.654 1.00 31.00 O ATOM 177 CB ASN A 14 -0.417 15.250 -24.151 1.00 31.51 C ATOM 178 CG ASN A 14 -1.407 14.962 -23.024 1.00 23.43 C ATOM 179 OD1 ASN A 14 -2.333 15.742 -22.796 1.00 1.41 O ATOM 180 ND2 ASN A 14 -1.218 13.866 -22.301 1.00 73.33 N ATOM 0 H ASN A 14 0.868 15.289 -26.319 1.00 10.01 H new ATOM 0 HA ASN A 14 0.731 13.419 -24.062 1.00 44.32 H new ATOM 0 HB2 ASN A 14 0.394 15.862 -23.757 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -0.919 15.841 -24.917 1.00 31.51 H new ATOM 0 HD21 ASN A 14 -1.849 13.648 -21.530 1.00 73.33 H new ATOM 0 HD22 ASN A 14 -0.441 13.241 -22.516 1.00 73.33 H new ATOM 187 N GLY A 15 -0.773 12.665 -26.614 1.00 55.21 N ATOM 188 CA GLY A 15 -1.805 11.865 -27.256 1.00 55.10 C ATOM 189 C GLY A 15 -1.876 10.436 -26.734 1.00 5.11 C ATOM 190 O GLY A 15 -2.954 9.845 -26.688 1.00 2.02 O ATOM 0 H GLY A 15 0.037 12.869 -27.199 1.00 55.21 H new ATOM 0 HA2 GLY A 15 -2.772 12.346 -27.108 1.00 55.10 H new ATOM 0 HA3 GLY A 15 -1.621 11.843 -28.330 1.00 55.10 H new ATOM 194 N SER A 16 -0.734 9.881 -26.330 1.00 4.14 N ATOM 195 CA SER A 16 -0.646 8.467 -25.959 1.00 63.44 C ATOM 196 C SER A 16 -0.852 8.257 -24.460 1.00 71.32 C ATOM 197 O SER A 16 -0.538 9.138 -23.657 1.00 2.12 O ATOM 198 CB SER A 16 0.713 7.913 -26.389 1.00 1.03 C ATOM 199 OG SER A 16 0.926 8.133 -27.775 1.00 70.32 O ATOM 0 H SER A 16 0.146 10.390 -26.251 1.00 4.14 H new ATOM 0 HA SER A 16 -1.444 7.931 -26.473 1.00 63.44 H new ATOM 0 HB2 SER A 16 1.505 8.391 -25.813 1.00 1.03 H new ATOM 0 HB3 SER A 16 0.762 6.846 -26.173 1.00 1.03 H new ATOM 0 HG SER A 16 1.801 7.774 -28.033 1.00 70.32 H new ATOM 205 N PHE A 17 -1.400 7.094 -24.079 1.00 33.31 N ATOM 206 CA PHE A 17 -1.522 6.745 -22.668 1.00 3.42 C ATOM 207 C PHE A 17 -0.144 6.500 -22.070 1.00 71.15 C ATOM 208 O PHE A 17 0.470 5.457 -22.299 1.00 4.05 O ATOM 209 CB PHE A 17 -2.394 5.485 -22.480 1.00 25.25 C ATOM 210 CG PHE A 17 -2.919 5.268 -21.069 1.00 23.11 C ATOM 211 CD1 PHE A 17 -2.057 5.158 -19.987 1.00 74.21 C ATOM 212 CD2 PHE A 17 -4.285 5.176 -20.833 1.00 3.25 C ATOM 213 CE1 PHE A 17 -2.545 4.961 -18.707 1.00 70.22 C ATOM 214 CE2 PHE A 17 -4.776 4.979 -19.556 1.00 25.21 C ATOM 215 CZ PHE A 17 -3.906 4.872 -18.493 1.00 45.40 C ATOM 0 H PHE A 17 -1.760 6.391 -24.724 1.00 33.31 H new ATOM 0 HA PHE A 17 -2.002 7.579 -22.156 1.00 3.42 H new ATOM 0 HB2 PHE A 17 -3.243 5.544 -23.162 1.00 25.25 H new ATOM 0 HB3 PHE A 17 -1.811 4.612 -22.772 1.00 25.25 H new ATOM 0 HD1 PHE A 17 -0.991 5.227 -20.146 1.00 74.21 H new ATOM 0 HD2 PHE A 17 -4.974 5.260 -21.660 1.00 3.25 H new ATOM 0 HE1 PHE A 17 -1.861 4.877 -17.875 1.00 70.22 H new ATOM 0 HE2 PHE A 17 -5.841 4.909 -19.392 1.00 25.21 H new ATOM 0 HZ PHE A 17 -4.288 4.719 -17.494 1.00 45.40 H new ATOM 225 N PHE A 18 0.330 7.477 -21.320 1.00 10.51 N ATOM 226 CA PHE A 18 1.462 7.303 -20.430 1.00 50.04 C ATOM 227 C PHE A 18 1.165 8.083 -19.164 1.00 10.14 C ATOM 228 O PHE A 18 0.764 9.247 -19.222 1.00 64.22 O ATOM 229 CB PHE A 18 2.783 7.761 -21.079 1.00 0.03 C ATOM 230 CG PHE A 18 2.756 9.160 -21.647 1.00 53.34 C ATOM 231 CD1 PHE A 18 3.055 10.261 -20.852 1.00 52.42 C ATOM 232 CD2 PHE A 18 2.432 9.373 -22.979 1.00 61.11 C ATOM 233 CE1 PHE A 18 3.030 11.539 -21.377 1.00 42.02 C ATOM 234 CE2 PHE A 18 2.406 10.648 -23.505 1.00 74.44 C ATOM 235 CZ PHE A 18 2.706 11.732 -22.703 1.00 11.54 C ATOM 0 H PHE A 18 -0.062 8.419 -21.311 1.00 10.51 H new ATOM 0 HA PHE A 18 1.597 6.245 -20.203 1.00 50.04 H new ATOM 0 HB2 PHE A 18 3.577 7.701 -20.335 1.00 0.03 H new ATOM 0 HB3 PHE A 18 3.040 7.065 -21.877 1.00 0.03 H new ATOM 0 HD1 PHE A 18 3.310 10.116 -19.813 1.00 52.42 H new ATOM 0 HD2 PHE A 18 2.197 8.530 -23.612 1.00 61.11 H new ATOM 0 HE1 PHE A 18 3.264 12.386 -20.749 1.00 42.02 H new ATOM 0 HE2 PHE A 18 2.151 10.799 -24.544 1.00 74.44 H new ATOM 0 HZ PHE A 18 2.687 12.730 -23.115 1.00 11.54 H new ATOM 245 N VAL A 19 1.347 7.441 -18.023 1.00 64.01 N ATOM 246 CA VAL A 19 0.917 8.002 -16.751 1.00 61.04 C ATOM 247 C VAL A 19 1.858 7.559 -15.629 1.00 43.40 C ATOM 248 O VAL A 19 2.166 6.365 -15.487 1.00 52.44 O ATOM 249 CB VAL A 19 -0.548 7.586 -16.409 1.00 53.32 C ATOM 250 CG1 VAL A 19 -0.953 8.107 -15.033 1.00 65.33 C ATOM 251 CG2 VAL A 19 -1.542 8.079 -17.477 1.00 2.33 C ATOM 0 H VAL A 19 1.792 6.526 -17.950 1.00 64.01 H new ATOM 0 HA VAL A 19 0.949 9.088 -16.841 1.00 61.04 H new ATOM 0 HB VAL A 19 -0.581 6.497 -16.396 1.00 53.32 H new ATOM 0 HG11 VAL A 19 -1.978 7.805 -14.817 1.00 65.33 H new ATOM 0 HG12 VAL A 19 -0.285 7.694 -14.277 1.00 65.33 H new ATOM 0 HG13 VAL A 19 -0.886 9.195 -15.022 1.00 65.33 H new ATOM 0 HG21 VAL A 19 -2.551 7.770 -17.205 1.00 2.33 H new ATOM 0 HG22 VAL A 19 -1.499 9.166 -17.539 1.00 2.33 H new ATOM 0 HG23 VAL A 19 -1.280 7.650 -18.444 1.00 2.33 H new ATOM 261 N LEU A 20 2.318 8.529 -14.852 1.00 71.33 N ATOM 262 CA LEU A 20 3.258 8.299 -13.764 1.00 52.24 C ATOM 263 C LEU A 20 2.539 8.392 -12.420 1.00 2.41 C ATOM 264 O LEU A 20 1.679 9.257 -12.225 1.00 61.32 O ATOM 265 CB LEU A 20 4.377 9.347 -13.821 1.00 34.34 C ATOM 266 CG LEU A 20 5.499 9.171 -12.787 1.00 23.03 C ATOM 267 CD1 LEU A 20 6.278 7.888 -13.057 1.00 45.00 C ATOM 268 CD2 LEU A 20 6.424 10.387 -12.780 1.00 31.20 C ATOM 0 H LEU A 20 2.047 9.506 -14.960 1.00 71.33 H new ATOM 0 HA LEU A 20 3.686 7.302 -13.870 1.00 52.24 H new ATOM 0 HB2 LEU A 20 4.818 9.328 -14.817 1.00 34.34 H new ATOM 0 HB3 LEU A 20 3.934 10.334 -13.687 1.00 34.34 H new ATOM 0 HG LEU A 20 5.048 9.090 -11.798 1.00 23.03 H new ATOM 0 HD11 LEU A 20 7.069 7.780 -12.315 1.00 45.00 H new ATOM 0 HD12 LEU A 20 5.604 7.034 -12.996 1.00 45.00 H new ATOM 0 HD13 LEU A 20 6.719 7.933 -14.053 1.00 45.00 H new ATOM 0 HD21 LEU A 20 7.211 10.241 -12.040 1.00 31.20 H new ATOM 0 HD22 LEU A 20 6.871 10.510 -13.766 1.00 31.20 H new ATOM 0 HD23 LEU A 20 5.850 11.279 -12.528 1.00 31.20 H new ATOM 280 N VAL A 21 2.886 7.494 -11.503 1.00 52.14 N ATOM 281 CA VAL A 21 2.358 7.533 -10.146 1.00 71.23 C ATOM 282 C VAL A 21 3.507 7.726 -9.160 1.00 12.22 C ATOM 283 O VAL A 21 4.486 6.974 -9.176 1.00 72.33 O ATOM 284 CB VAL A 21 1.584 6.234 -9.793 1.00 12.52 C ATOM 285 CG1 VAL A 21 0.999 6.316 -8.381 1.00 73.44 C ATOM 286 CG2 VAL A 21 0.487 5.961 -10.824 1.00 14.24 C ATOM 0 H VAL A 21 3.535 6.727 -11.678 1.00 52.14 H new ATOM 0 HA VAL A 21 1.660 8.367 -10.080 1.00 71.23 H new ATOM 0 HB VAL A 21 2.287 5.401 -9.818 1.00 12.52 H new ATOM 0 HG11 VAL A 21 0.461 5.395 -8.156 1.00 73.44 H new ATOM 0 HG12 VAL A 21 1.806 6.451 -7.660 1.00 73.44 H new ATOM 0 HG13 VAL A 21 0.313 7.161 -8.320 1.00 73.44 H new ATOM 0 HG21 VAL A 21 -0.043 5.046 -10.558 1.00 14.24 H new ATOM 0 HG22 VAL A 21 -0.214 6.795 -10.839 1.00 14.24 H new ATOM 0 HG23 VAL A 21 0.936 5.846 -11.811 1.00 14.24 H new ATOM 296 N ASN A 22 3.392 8.741 -8.316 1.00 5.53 N ATOM 297 CA ASN A 22 4.419 9.046 -7.325 1.00 74.14 C ATOM 298 C ASN A 22 4.065 8.399 -5.991 1.00 13.30 C ATOM 299 O ASN A 22 2.910 8.035 -5.755 1.00 42.42 O ATOM 300 CB ASN A 22 4.554 10.567 -7.144 1.00 33.32 C ATOM 301 CG ASN A 22 4.896 11.291 -8.437 1.00 72.42 C ATOM 302 OD1 ASN A 22 4.006 11.691 -9.187 1.00 41.10 O ATOM 303 ND2 ASN A 22 6.181 11.473 -8.703 1.00 14.32 N ATOM 0 H ASN A 22 2.592 9.373 -8.297 1.00 5.53 H new ATOM 0 HA ASN A 22 5.370 8.647 -7.677 1.00 74.14 H new ATOM 0 HB2 ASN A 22 3.620 10.965 -6.748 1.00 33.32 H new ATOM 0 HB3 ASN A 22 5.327 10.772 -6.404 1.00 33.32 H new ATOM 0 HD21 ASN A 22 6.462 11.960 -9.554 1.00 14.32 H new ATOM 0 HD22 ASN A 22 6.890 11.127 -8.056 1.00 14.32 H new ATOM 310 N ASP A 23 5.057 8.284 -5.112 1.00 70.14 N ATOM 311 CA ASP A 23 4.855 7.724 -3.771 1.00 12.10 C ATOM 312 C ASP A 23 3.916 8.620 -2.959 1.00 71.41 C ATOM 313 O ASP A 23 3.432 8.238 -1.894 1.00 71.12 O ATOM 314 CB ASP A 23 6.202 7.578 -3.047 1.00 34.54 C ATOM 315 CG ASP A 23 6.854 8.920 -2.751 1.00 42.35 C ATOM 316 OD1 ASP A 23 7.333 9.577 -3.698 1.00 1.54 O ATOM 317 OD2 ASP A 23 6.895 9.321 -1.569 1.00 24.14 O ATOM 0 H ASP A 23 6.017 8.572 -5.303 1.00 70.14 H new ATOM 0 HA ASP A 23 4.401 6.738 -3.870 1.00 12.10 H new ATOM 0 HB2 ASP A 23 6.052 7.037 -2.113 1.00 34.54 H new ATOM 0 HB3 ASP A 23 6.876 6.977 -3.658 1.00 34.54 H new ATOM 322 N GLU A 24 3.668 9.815 -3.490 1.00 62.34 N ATOM 323 CA GLU A 24 2.760 10.789 -2.889 1.00 11.53 C ATOM 324 C GLU A 24 1.305 10.488 -3.276 1.00 61.53 C ATOM 325 O GLU A 24 0.408 11.300 -3.032 1.00 72.22 O ATOM 326 CB GLU A 24 3.145 12.189 -3.389 1.00 73.32 C ATOM 327 CG GLU A 24 4.632 12.506 -3.239 1.00 13.22 C ATOM 328 CD GLU A 24 5.054 13.747 -4.009 1.00 2.14 C ATOM 329 OE1 GLU A 24 4.984 14.859 -3.446 1.00 51.24 O ATOM 330 OE2 GLU A 24 5.459 13.617 -5.182 1.00 11.22 O ATOM 0 H GLU A 24 4.096 10.138 -4.358 1.00 62.34 H new ATOM 0 HA GLU A 24 2.843 10.735 -1.803 1.00 11.53 H new ATOM 0 HB2 GLU A 24 2.867 12.279 -4.439 1.00 73.32 H new ATOM 0 HB3 GLU A 24 2.567 12.933 -2.841 1.00 73.32 H new ATOM 0 HG2 GLU A 24 4.864 12.644 -2.183 1.00 13.22 H new ATOM 0 HG3 GLU A 24 5.217 11.654 -3.585 1.00 13.22 H new ATOM 337 N GLU A 25 1.092 9.322 -3.897 1.00 62.13 N ATOM 338 CA GLU A 25 -0.214 8.931 -4.442 1.00 0.22 C ATOM 339 C GLU A 25 -0.608 9.843 -5.606 1.00 61.13 C ATOM 340 O GLU A 25 -1.734 9.788 -6.099 1.00 70.13 O ATOM 341 CB GLU A 25 -1.318 8.938 -3.365 1.00 4.34 C ATOM 342 CG GLU A 25 -1.159 7.861 -2.294 1.00 45.50 C ATOM 343 CD GLU A 25 -2.373 7.769 -1.377 1.00 73.30 C ATOM 344 OE1 GLU A 25 -3.344 7.068 -1.735 1.00 62.44 O ATOM 345 OE2 GLU A 25 -2.370 8.410 -0.304 1.00 32.12 O ATOM 0 H GLU A 25 1.821 8.622 -4.036 1.00 62.13 H new ATOM 0 HA GLU A 25 -0.115 7.908 -4.806 1.00 0.22 H new ATOM 0 HB2 GLU A 25 -1.332 9.915 -2.882 1.00 4.34 H new ATOM 0 HB3 GLU A 25 -2.285 8.810 -3.852 1.00 4.34 H new ATOM 0 HG2 GLU A 25 -0.996 6.896 -2.774 1.00 45.50 H new ATOM 0 HG3 GLU A 25 -0.272 8.074 -1.697 1.00 45.50 H new ATOM 352 N GLN A 26 0.339 10.665 -6.053 1.00 10.22 N ATOM 353 CA GLN A 26 0.097 11.593 -7.149 1.00 54.01 C ATOM 354 C GLN A 26 0.046 10.840 -8.474 1.00 30.13 C ATOM 355 O GLN A 26 1.019 10.204 -8.872 1.00 21.03 O ATOM 356 CB GLN A 26 1.187 12.678 -7.190 1.00 31.13 C ATOM 357 CG GLN A 26 1.024 13.679 -8.335 1.00 12.34 C ATOM 358 CD GLN A 26 -0.348 14.337 -8.361 1.00 24.51 C ATOM 359 OE1 GLN A 26 -0.994 14.506 -7.328 1.00 3.34 O ATOM 360 NE2 GLN A 26 -0.804 14.713 -9.547 1.00 4.44 N ATOM 0 H GLN A 26 1.283 10.705 -5.670 1.00 10.22 H new ATOM 0 HA GLN A 26 -0.865 12.080 -6.986 1.00 54.01 H new ATOM 0 HB2 GLN A 26 1.182 13.219 -6.244 1.00 31.13 H new ATOM 0 HB3 GLN A 26 2.161 12.197 -7.277 1.00 31.13 H new ATOM 0 HG2 GLN A 26 1.789 14.451 -8.247 1.00 12.34 H new ATOM 0 HG3 GLN A 26 1.194 13.169 -9.283 1.00 12.34 H new ATOM 0 HE21 GLN A 26 -0.241 14.557 -10.383 1.00 4.44 H new ATOM 0 HE22 GLN A 26 -1.718 15.159 -9.624 1.00 4.44 H new ATOM 369 N HIS A 27 -1.100 10.904 -9.137 1.00 62.23 N ATOM 370 CA HIS A 27 -1.292 10.239 -10.420 1.00 32.31 C ATOM 371 C HIS A 27 -1.359 11.273 -11.545 1.00 32.43 C ATOM 372 O HIS A 27 -2.396 11.889 -11.775 1.00 70.43 O ATOM 373 CB HIS A 27 -2.560 9.365 -10.387 1.00 4.31 C ATOM 374 CG HIS A 27 -3.798 10.071 -9.904 1.00 71.13 C ATOM 375 ND1 HIS A 27 -4.207 10.058 -8.587 1.00 63.43 N ATOM 376 CD2 HIS A 27 -4.723 10.806 -10.570 1.00 74.11 C ATOM 377 CE1 HIS A 27 -5.324 10.752 -8.468 1.00 60.13 C ATOM 378 NE2 HIS A 27 -5.660 11.216 -9.656 1.00 72.25 N ATOM 0 H HIS A 27 -1.918 11.414 -8.805 1.00 62.23 H new ATOM 0 HA HIS A 27 -0.441 9.585 -10.612 1.00 32.31 H new ATOM 0 HB2 HIS A 27 -2.746 8.980 -11.390 1.00 4.31 H new ATOM 0 HB3 HIS A 27 -2.375 8.504 -9.744 1.00 4.31 H new ATOM 0 HD2 HIS A 27 -4.722 11.028 -11.627 1.00 74.11 H new ATOM 0 HE1 HIS A 27 -5.871 10.913 -7.551 1.00 60.13 H new ATOM 0 HE2 HIS A 27 -6.481 11.786 -9.861 1.00 72.25 H new ATOM 387 N SER A 28 -0.243 11.467 -12.233 1.00 43.31 N ATOM 388 CA SER A 28 -0.140 12.489 -13.270 1.00 70.43 C ATOM 389 C SER A 28 0.508 11.902 -14.521 1.00 3.04 C ATOM 390 O SER A 28 0.740 10.701 -14.597 1.00 45.11 O ATOM 391 CB SER A 28 0.684 13.679 -12.748 1.00 24.32 C ATOM 392 OG SER A 28 0.740 14.730 -13.699 1.00 33.21 O ATOM 0 H SER A 28 0.611 10.927 -12.092 1.00 43.31 H new ATOM 0 HA SER A 28 -1.139 12.839 -13.528 1.00 70.43 H new ATOM 0 HB2 SER A 28 0.245 14.048 -11.821 1.00 24.32 H new ATOM 0 HB3 SER A 28 1.695 13.347 -12.511 1.00 24.32 H new ATOM 0 HG SER A 28 1.269 15.471 -13.337 1.00 33.21 H new ATOM 398 N LEU A 29 0.793 12.754 -15.497 1.00 3.41 N ATOM 399 CA LEU A 29 1.464 12.341 -16.727 1.00 62.52 C ATOM 400 C LEU A 29 2.899 12.862 -16.722 1.00 23.32 C ATOM 401 O LEU A 29 3.174 13.925 -16.161 1.00 31.35 O ATOM 402 CB LEU A 29 0.710 12.845 -17.977 1.00 32.03 C ATOM 403 CG LEU A 29 0.626 14.376 -18.160 1.00 23.25 C ATOM 404 CD1 LEU A 29 0.171 14.718 -19.576 1.00 5.44 C ATOM 405 CD2 LEU A 29 -0.321 15.004 -17.138 1.00 25.14 C ATOM 0 H LEU A 29 0.567 13.748 -15.461 1.00 3.41 H new ATOM 0 HA LEU A 29 1.473 11.252 -16.768 1.00 62.52 H new ATOM 0 HB2 LEU A 29 1.191 12.422 -18.859 1.00 32.03 H new ATOM 0 HB3 LEU A 29 -0.305 12.449 -17.946 1.00 32.03 H new ATOM 0 HG LEU A 29 1.622 14.787 -17.998 1.00 23.25 H new ATOM 0 HD11 LEU A 29 0.117 15.801 -19.689 1.00 5.44 H new ATOM 0 HD12 LEU A 29 0.883 14.313 -20.295 1.00 5.44 H new ATOM 0 HD13 LEU A 29 -0.813 14.285 -19.757 1.00 5.44 H new ATOM 0 HD21 LEU A 29 -0.359 16.082 -17.292 1.00 25.14 H new ATOM 0 HD22 LEU A 29 -1.319 14.584 -17.261 1.00 25.14 H new ATOM 0 HD23 LEU A 29 0.039 14.794 -16.131 1.00 25.14 H new ATOM 417 N TRP A 30 3.808 12.111 -17.336 1.00 23.42 N ATOM 418 CA TRP A 30 5.222 12.476 -17.348 1.00 41.14 C ATOM 419 C TRP A 30 5.689 12.762 -18.777 1.00 34.24 C ATOM 420 O TRP A 30 5.443 11.966 -19.683 1.00 3.43 O ATOM 421 CB TRP A 30 6.071 11.362 -16.711 1.00 13.11 C ATOM 422 CG TRP A 30 6.000 10.040 -17.425 1.00 12.31 C ATOM 423 CD1 TRP A 30 5.002 9.110 -17.340 1.00 71.00 C ATOM 424 CD2 TRP A 30 6.980 9.497 -18.319 1.00 3.12 C ATOM 425 NE1 TRP A 30 5.301 8.026 -18.127 1.00 33.35 N ATOM 426 CE2 TRP A 30 6.510 8.240 -18.736 1.00 25.44 C ATOM 427 CE3 TRP A 30 8.207 9.954 -18.806 1.00 53.21 C ATOM 428 CZ2 TRP A 30 7.226 7.433 -19.614 1.00 51.20 C ATOM 429 CZ3 TRP A 30 8.915 9.152 -19.680 1.00 55.34 C ATOM 430 CH2 TRP A 30 8.425 7.903 -20.076 1.00 73.31 C ATOM 0 H TRP A 30 3.592 11.246 -17.832 1.00 23.42 H new ATOM 0 HA TRP A 30 5.350 13.384 -16.758 1.00 41.14 H new ATOM 0 HB2 TRP A 30 7.111 11.688 -16.679 1.00 13.11 H new ATOM 0 HB3 TRP A 30 5.749 11.221 -15.679 1.00 13.11 H new ATOM 0 HD1 TRP A 30 4.109 9.213 -16.741 1.00 71.00 H new ATOM 0 HE1 TRP A 30 4.718 7.196 -18.240 1.00 33.35 H new ATOM 0 HE3 TRP A 30 8.595 10.916 -18.505 1.00 53.21 H new ATOM 0 HZ2 TRP A 30 6.848 6.469 -19.920 1.00 51.20 H new ATOM 0 HZ3 TRP A 30 9.864 9.495 -20.065 1.00 55.34 H new ATOM 0 HH2 TRP A 30 9.004 7.299 -20.759 1.00 73.31 H new ATOM 441 N PRO A 31 6.348 13.912 -19.005 1.00 52.54 N ATOM 442 CA PRO A 31 6.872 14.270 -20.326 1.00 35.33 C ATOM 443 C PRO A 31 7.920 13.266 -20.809 1.00 43.41 C ATOM 444 O PRO A 31 9.034 13.222 -20.287 1.00 35.31 O ATOM 445 CB PRO A 31 7.501 15.661 -20.112 1.00 30.22 C ATOM 446 CG PRO A 31 6.884 16.173 -18.850 1.00 33.12 C ATOM 447 CD PRO A 31 6.628 14.959 -18.002 1.00 24.30 C ATOM 0 HA PRO A 31 6.095 14.268 -21.091 1.00 35.33 H new ATOM 0 HB2 PRO A 31 8.585 15.595 -20.023 1.00 30.22 H new ATOM 0 HB3 PRO A 31 7.290 16.323 -20.952 1.00 30.22 H new ATOM 0 HG2 PRO A 31 7.550 16.871 -18.343 1.00 33.12 H new ATOM 0 HG3 PRO A 31 5.958 16.709 -19.056 1.00 33.12 H new ATOM 0 HD2 PRO A 31 7.491 14.708 -17.385 1.00 24.30 H new ATOM 0 HD3 PRO A 31 5.785 15.108 -17.327 1.00 24.30 H new ATOM 455 N ALA A 32 7.549 12.463 -21.804 1.00 64.13 N ATOM 456 CA ALA A 32 8.437 11.431 -22.351 1.00 5.22 C ATOM 457 C ALA A 32 9.718 12.032 -22.932 1.00 54.03 C ATOM 458 O ALA A 32 10.715 11.336 -23.118 1.00 51.42 O ATOM 459 CB ALA A 32 7.702 10.605 -23.405 1.00 31.45 C ATOM 0 H ALA A 32 6.634 12.505 -22.253 1.00 64.13 H new ATOM 0 HA ALA A 32 8.730 10.777 -21.530 1.00 5.22 H new ATOM 0 HB1 ALA A 32 8.372 9.843 -23.803 1.00 31.45 H new ATOM 0 HB2 ALA A 32 6.835 10.125 -22.951 1.00 31.45 H new ATOM 0 HB3 ALA A 32 7.373 11.257 -24.214 1.00 31.45 H new ATOM 465 N PHE A 33 9.685 13.330 -23.211 1.00 65.24 N ATOM 466 CA PHE A 33 10.838 14.035 -23.773 1.00 41.30 C ATOM 467 C PHE A 33 11.696 14.661 -22.673 1.00 64.43 C ATOM 468 O PHE A 33 12.613 15.437 -22.950 1.00 54.03 O ATOM 469 CB PHE A 33 10.362 15.109 -24.759 1.00 70.23 C ATOM 470 CG PHE A 33 9.353 16.080 -24.183 1.00 14.54 C ATOM 471 CD1 PHE A 33 9.765 17.217 -23.497 1.00 21.21 C ATOM 472 CD2 PHE A 33 7.992 15.855 -24.331 1.00 34.35 C ATOM 473 CE1 PHE A 33 8.841 18.106 -22.977 1.00 25.54 C ATOM 474 CE2 PHE A 33 7.066 16.740 -23.812 1.00 3.51 C ATOM 475 CZ PHE A 33 7.489 17.866 -23.133 1.00 72.43 C ATOM 0 H PHE A 33 8.868 13.921 -23.057 1.00 65.24 H new ATOM 0 HA PHE A 33 11.457 13.311 -24.304 1.00 41.30 H new ATOM 0 HB2 PHE A 33 11.227 15.670 -25.113 1.00 70.23 H new ATOM 0 HB3 PHE A 33 9.922 14.619 -25.628 1.00 70.23 H new ATOM 0 HD1 PHE A 33 10.820 17.409 -23.368 1.00 21.21 H new ATOM 0 HD2 PHE A 33 7.652 14.976 -24.859 1.00 34.35 H new ATOM 0 HE1 PHE A 33 9.176 18.987 -22.450 1.00 25.54 H new ATOM 0 HE2 PHE A 33 6.010 16.551 -23.938 1.00 3.51 H new ATOM 0 HZ PHE A 33 6.766 18.557 -22.725 1.00 72.43 H new ATOM 485 N ALA A 34 11.395 14.319 -21.431 1.00 11.31 N ATOM 486 CA ALA A 34 12.118 14.858 -20.279 1.00 4.15 C ATOM 487 C ALA A 34 12.658 13.730 -19.403 1.00 15.35 C ATOM 488 O ALA A 34 12.414 12.551 -19.672 1.00 1.33 O ATOM 489 CB ALA A 34 11.209 15.776 -19.472 1.00 42.14 C ATOM 0 H ALA A 34 10.650 13.666 -21.189 1.00 11.31 H new ATOM 0 HA ALA A 34 12.966 15.438 -20.643 1.00 4.15 H new ATOM 0 HB1 ALA A 34 11.758 16.171 -18.617 1.00 42.14 H new ATOM 0 HB2 ALA A 34 10.874 16.601 -20.101 1.00 42.14 H new ATOM 0 HB3 ALA A 34 10.344 15.214 -19.120 1.00 42.14 H new ATOM 495 N ASP A 35 13.410 14.097 -18.368 1.00 65.10 N ATOM 496 CA ASP A 35 13.975 13.122 -17.432 1.00 21.44 C ATOM 497 C ASP A 35 13.083 12.973 -16.199 1.00 35.34 C ATOM 498 O ASP A 35 12.717 13.964 -15.563 1.00 10.32 O ATOM 499 CB ASP A 35 15.391 13.538 -17.006 1.00 10.33 C ATOM 500 CG ASP A 35 15.965 12.623 -15.931 1.00 71.31 C ATOM 501 OD1 ASP A 35 16.218 11.433 -16.224 1.00 74.13 O ATOM 502 OD2 ASP A 35 16.157 13.092 -14.787 1.00 62.15 O ATOM 0 H ASP A 35 13.644 15.066 -18.154 1.00 65.10 H new ATOM 0 HA ASP A 35 14.029 12.160 -17.942 1.00 21.44 H new ATOM 0 HB2 ASP A 35 16.047 13.528 -17.876 1.00 10.33 H new ATOM 0 HB3 ASP A 35 15.370 14.562 -16.634 1.00 10.33 H new ATOM 507 N VAL A 36 12.737 11.733 -15.870 1.00 51.02 N ATOM 508 CA VAL A 36 11.867 11.444 -14.733 1.00 14.20 C ATOM 509 C VAL A 36 12.710 11.199 -13.470 1.00 74.22 C ATOM 510 O VAL A 36 13.403 10.182 -13.373 1.00 4.35 O ATOM 511 CB VAL A 36 10.974 10.204 -15.010 1.00 52.15 C ATOM 512 CG1 VAL A 36 9.791 10.156 -14.044 1.00 54.14 C ATOM 513 CG2 VAL A 36 10.493 10.188 -16.460 1.00 3.12 C ATOM 0 H VAL A 36 13.048 10.905 -16.378 1.00 51.02 H new ATOM 0 HA VAL A 36 11.220 12.308 -14.579 1.00 14.20 H new ATOM 0 HB VAL A 36 11.580 9.313 -14.847 1.00 52.15 H new ATOM 0 HG11 VAL A 36 9.181 9.278 -14.259 1.00 54.14 H new ATOM 0 HG12 VAL A 36 10.160 10.100 -13.020 1.00 54.14 H new ATOM 0 HG13 VAL A 36 9.187 11.056 -14.163 1.00 54.14 H new ATOM 0 HG21 VAL A 36 9.870 9.309 -16.627 1.00 3.12 H new ATOM 0 HG22 VAL A 36 9.912 11.088 -16.661 1.00 3.12 H new ATOM 0 HG23 VAL A 36 11.353 10.155 -17.128 1.00 3.12 H new ATOM 523 N PRO A 37 12.657 12.120 -12.488 1.00 42.20 N ATOM 524 CA PRO A 37 13.480 12.042 -11.263 1.00 21.34 C ATOM 525 C PRO A 37 13.091 10.864 -10.368 1.00 1.14 C ATOM 526 O PRO A 37 11.991 10.839 -9.822 1.00 71.23 O ATOM 527 CB PRO A 37 13.187 13.366 -10.547 1.00 33.33 C ATOM 528 CG PRO A 37 11.856 13.799 -11.067 1.00 74.14 C ATOM 529 CD PRO A 37 11.777 13.302 -12.485 1.00 3.15 C ATOM 0 HA PRO A 37 14.533 11.888 -11.497 1.00 21.34 H new ATOM 0 HB2 PRO A 37 13.164 13.233 -9.465 1.00 33.33 H new ATOM 0 HB3 PRO A 37 13.955 14.109 -10.761 1.00 33.33 H new ATOM 0 HG2 PRO A 37 11.049 13.384 -10.464 1.00 74.14 H new ATOM 0 HG3 PRO A 37 11.757 14.884 -11.029 1.00 74.14 H new ATOM 0 HD2 PRO A 37 10.755 13.042 -12.762 1.00 3.15 H new ATOM 0 HD3 PRO A 37 12.117 14.057 -13.194 1.00 3.15 H new ATOM 537 N ALA A 38 14.019 9.918 -10.200 1.00 5.25 N ATOM 538 CA ALA A 38 13.762 8.642 -9.513 1.00 34.34 C ATOM 539 C ALA A 38 12.999 8.810 -8.191 1.00 32.33 C ATOM 540 O ALA A 38 13.116 9.834 -7.510 1.00 13.31 O ATOM 541 CB ALA A 38 15.080 7.909 -9.271 1.00 11.05 C ATOM 0 H ALA A 38 14.977 10.013 -10.538 1.00 5.25 H new ATOM 0 HA ALA A 38 13.121 8.053 -10.169 1.00 34.34 H new ATOM 0 HB1 ALA A 38 14.883 6.965 -8.762 1.00 11.05 H new ATOM 0 HB2 ALA A 38 15.567 7.712 -10.226 1.00 11.05 H new ATOM 0 HB3 ALA A 38 15.731 8.526 -8.652 1.00 11.05 H new ATOM 547 N GLY A 39 12.248 7.772 -7.829 1.00 34.21 N ATOM 548 CA GLY A 39 11.391 7.813 -6.652 1.00 13.01 C ATOM 549 C GLY A 39 9.920 7.736 -7.024 1.00 60.32 C ATOM 550 O GLY A 39 9.054 8.214 -6.288 1.00 53.32 O ATOM 0 H GLY A 39 12.218 6.889 -8.339 1.00 34.21 H new ATOM 0 HA2 GLY A 39 11.643 6.985 -5.990 1.00 13.01 H new ATOM 0 HA3 GLY A 39 11.578 8.733 -6.097 1.00 13.01 H new ATOM 554 N TRP A 40 9.644 7.118 -8.172 1.00 51.51 N ATOM 555 CA TRP A 40 8.288 7.012 -8.709 1.00 73.43 C ATOM 556 C TRP A 40 8.005 5.596 -9.200 1.00 13.52 C ATOM 557 O TRP A 40 8.851 4.705 -9.099 1.00 74.51 O ATOM 558 CB TRP A 40 8.128 7.998 -9.877 1.00 45.14 C ATOM 559 CG TRP A 40 9.324 8.015 -10.790 1.00 44.13 C ATOM 560 CD1 TRP A 40 10.300 8.962 -10.814 1.00 34.43 C ATOM 561 CD2 TRP A 40 9.687 7.042 -11.787 1.00 12.14 C ATOM 562 NE1 TRP A 40 11.250 8.643 -11.751 1.00 74.20 N ATOM 563 CE2 TRP A 40 10.895 7.472 -12.365 1.00 71.13 C ATOM 564 CE3 TRP A 40 9.114 5.850 -12.244 1.00 32.41 C ATOM 565 CZ2 TRP A 40 11.536 6.761 -13.375 1.00 14.53 C ATOM 566 CZ3 TRP A 40 9.748 5.145 -13.248 1.00 71.15 C ATOM 567 CH2 TRP A 40 10.951 5.602 -13.803 1.00 62.31 C ATOM 0 H TRP A 40 10.354 6.677 -8.756 1.00 51.51 H new ATOM 0 HA TRP A 40 7.580 7.250 -7.915 1.00 73.43 H new ATOM 0 HB2 TRP A 40 7.241 7.733 -10.452 1.00 45.14 H new ATOM 0 HB3 TRP A 40 7.964 9.000 -9.481 1.00 45.14 H new ATOM 0 HD1 TRP A 40 10.324 9.840 -10.185 1.00 34.43 H new ATOM 0 HE1 TRP A 40 12.086 9.190 -11.957 1.00 74.20 H new ATOM 0 HE3 TRP A 40 8.190 5.487 -11.818 1.00 32.41 H new ATOM 0 HZ2 TRP A 40 12.462 7.112 -13.805 1.00 14.53 H new ATOM 0 HZ3 TRP A 40 9.310 4.227 -13.611 1.00 71.15 H new ATOM 0 HH2 TRP A 40 11.425 5.027 -14.584 1.00 62.31 H new ATOM 578 N ARG A 41 6.802 5.401 -9.731 1.00 24.31 N ATOM 579 CA ARG A 41 6.453 4.185 -10.449 1.00 20.05 C ATOM 580 C ARG A 41 5.502 4.546 -11.587 1.00 55.23 C ATOM 581 O ARG A 41 4.477 5.185 -11.366 1.00 13.03 O ATOM 582 CB ARG A 41 5.797 3.158 -9.512 1.00 53.34 C ATOM 583 CG ARG A 41 5.442 1.848 -10.211 1.00 52.42 C ATOM 584 CD ARG A 41 4.791 0.843 -9.268 1.00 12.34 C ATOM 585 NE ARG A 41 4.490 -0.414 -9.953 1.00 63.22 N ATOM 586 CZ ARG A 41 4.064 -1.526 -9.351 1.00 44.45 C ATOM 587 NH1 ARG A 41 3.839 -1.551 -8.042 1.00 42.12 N ATOM 588 NH2 ARG A 41 3.851 -2.614 -10.073 1.00 31.14 N ATOM 0 H ARG A 41 6.044 6.082 -9.675 1.00 24.31 H new ATOM 0 HA ARG A 41 7.360 3.732 -10.849 1.00 20.05 H new ATOM 0 HB2 ARG A 41 6.473 2.949 -8.683 1.00 53.34 H new ATOM 0 HB3 ARG A 41 4.893 3.591 -9.085 1.00 53.34 H new ATOM 0 HG2 ARG A 41 4.766 2.054 -11.041 1.00 52.42 H new ATOM 0 HG3 ARG A 41 6.345 1.410 -10.637 1.00 52.42 H new ATOM 0 HD2 ARG A 41 5.455 0.650 -8.425 1.00 12.34 H new ATOM 0 HD3 ARG A 41 3.873 1.266 -8.860 1.00 12.34 H new ATOM 0 HE ARG A 41 4.615 -0.443 -10.965 1.00 63.22 H new ATOM 0 HH11 ARG A 41 3.992 -0.712 -7.482 1.00 42.12 H new ATOM 0 HH12 ARG A 41 3.513 -2.409 -7.597 1.00 42.12 H new ATOM 0 HH21 ARG A 41 4.012 -2.598 -11.080 1.00 31.14 H new ATOM 0 HH22 ARG A 41 3.525 -3.469 -9.623 1.00 31.14 H new ATOM 602 N VAL A 42 5.846 4.148 -12.802 1.00 41.41 N ATOM 603 CA VAL A 42 5.020 4.458 -13.965 1.00 54.33 C ATOM 604 C VAL A 42 4.006 3.337 -14.203 1.00 41.04 C ATOM 605 O VAL A 42 4.352 2.156 -14.133 1.00 60.22 O ATOM 606 CB VAL A 42 5.892 4.692 -15.232 1.00 3.04 C ATOM 607 CG1 VAL A 42 6.653 3.428 -15.627 1.00 41.04 C ATOM 608 CG2 VAL A 42 5.044 5.214 -16.391 1.00 13.44 C ATOM 0 H VAL A 42 6.688 3.611 -13.011 1.00 41.41 H new ATOM 0 HA VAL A 42 4.480 5.383 -13.763 1.00 54.33 H new ATOM 0 HB VAL A 42 6.632 5.455 -14.989 1.00 3.04 H new ATOM 0 HG11 VAL A 42 7.252 3.627 -16.516 1.00 41.04 H new ATOM 0 HG12 VAL A 42 7.307 3.126 -14.809 1.00 41.04 H new ATOM 0 HG13 VAL A 42 5.944 2.628 -15.839 1.00 41.04 H new ATOM 0 HG21 VAL A 42 5.678 5.369 -17.264 1.00 13.44 H new ATOM 0 HG22 VAL A 42 4.268 4.487 -16.630 1.00 13.44 H new ATOM 0 HG23 VAL A 42 4.581 6.159 -16.106 1.00 13.44 H new ATOM 618 N VAL A 43 2.751 3.696 -14.458 1.00 12.04 N ATOM 619 CA VAL A 43 1.706 2.692 -14.679 1.00 4.12 C ATOM 620 C VAL A 43 1.626 2.340 -16.165 1.00 0.32 C ATOM 621 O VAL A 43 1.199 1.249 -16.547 1.00 14.03 O ATOM 622 CB VAL A 43 0.323 3.178 -14.164 1.00 51.33 C ATOM 623 CG1 VAL A 43 -0.208 4.339 -15.000 1.00 51.05 C ATOM 624 CG2 VAL A 43 -0.684 2.029 -14.125 1.00 73.33 C ATOM 0 H VAL A 43 2.432 4.663 -14.517 1.00 12.04 H new ATOM 0 HA VAL A 43 1.973 1.801 -14.111 1.00 4.12 H new ATOM 0 HB VAL A 43 0.462 3.540 -13.145 1.00 51.33 H new ATOM 0 HG11 VAL A 43 -1.177 4.654 -14.612 1.00 51.05 H new ATOM 0 HG12 VAL A 43 0.491 5.173 -14.950 1.00 51.05 H new ATOM 0 HG13 VAL A 43 -0.319 4.020 -16.037 1.00 51.05 H new ATOM 0 HG21 VAL A 43 -1.643 2.398 -13.761 1.00 73.33 H new ATOM 0 HG22 VAL A 43 -0.809 1.621 -15.128 1.00 73.33 H new ATOM 0 HG23 VAL A 43 -0.319 1.248 -13.458 1.00 73.33 H new ATOM 634 N HIS A 44 2.051 3.286 -16.994 1.00 64.55 N ATOM 635 CA HIS A 44 2.133 3.105 -18.441 1.00 44.42 C ATOM 636 C HIS A 44 3.182 4.057 -19.004 1.00 73.35 C ATOM 637 O HIS A 44 3.088 5.270 -18.801 1.00 2.12 O ATOM 638 CB HIS A 44 0.775 3.363 -19.119 1.00 33.41 C ATOM 639 CG HIS A 44 -0.183 2.209 -19.050 1.00 64.22 C ATOM 640 ND1 HIS A 44 -1.166 2.097 -18.086 1.00 63.31 N ATOM 641 CD2 HIS A 44 -0.318 1.124 -19.847 1.00 24.33 C ATOM 642 CE1 HIS A 44 -1.859 0.993 -18.299 1.00 61.35 C ATOM 643 NE2 HIS A 44 -1.367 0.386 -19.360 1.00 12.24 N ATOM 0 H HIS A 44 2.351 4.209 -16.680 1.00 64.55 H new ATOM 0 HA HIS A 44 2.415 2.072 -18.645 1.00 44.42 H new ATOM 0 HB2 HIS A 44 0.311 4.233 -18.655 1.00 33.41 H new ATOM 0 HB3 HIS A 44 0.947 3.614 -20.166 1.00 33.41 H new ATOM 0 HD2 HIS A 44 0.288 0.883 -20.708 1.00 24.33 H new ATOM 0 HE1 HIS A 44 -2.690 0.646 -17.703 1.00 61.35 H new ATOM 0 HE2 HIS A 44 -1.710 -0.490 -19.755 1.00 12.24 H new ATOM 652 N GLY A 45 4.190 3.502 -19.665 1.00 42.11 N ATOM 653 CA GLY A 45 5.235 4.314 -20.263 1.00 12.53 C ATOM 654 C GLY A 45 4.825 4.858 -21.617 1.00 61.03 C ATOM 655 O GLY A 45 3.681 4.678 -22.039 1.00 13.13 O ATOM 0 H GLY A 45 4.304 2.497 -19.799 1.00 42.11 H new ATOM 0 HA2 GLY A 45 5.476 5.143 -19.597 1.00 12.53 H new ATOM 0 HA3 GLY A 45 6.141 3.717 -20.371 1.00 12.53 H new ATOM 659 N GLU A 46 5.755 5.527 -22.296 1.00 70.20 N ATOM 660 CA GLU A 46 5.500 6.074 -23.629 1.00 12.32 C ATOM 661 C GLU A 46 5.093 4.945 -24.587 1.00 41.42 C ATOM 662 O GLU A 46 5.900 4.071 -24.923 1.00 12.04 O ATOM 663 CB GLU A 46 6.742 6.839 -24.122 1.00 10.22 C ATOM 664 CG GLU A 46 8.052 6.068 -23.974 1.00 43.31 C ATOM 665 CD GLU A 46 9.279 6.964 -24.078 1.00 74.34 C ATOM 666 OE1 GLU A 46 9.533 7.511 -25.171 1.00 62.12 O ATOM 667 OE2 GLU A 46 9.991 7.133 -23.063 1.00 5.12 O ATOM 0 H GLU A 46 6.696 5.704 -21.944 1.00 70.20 H new ATOM 0 HA GLU A 46 4.672 6.782 -23.591 1.00 12.32 H new ATOM 0 HB2 GLU A 46 6.602 7.098 -25.172 1.00 10.22 H new ATOM 0 HB3 GLU A 46 6.821 7.776 -23.570 1.00 10.22 H new ATOM 0 HG2 GLU A 46 8.061 5.558 -23.011 1.00 43.31 H new ATOM 0 HG3 GLU A 46 8.104 5.298 -24.743 1.00 43.31 H new ATOM 674 N ALA A 47 3.832 4.974 -25.017 1.00 23.10 N ATOM 675 CA ALA A 47 3.207 3.831 -25.679 1.00 63.51 C ATOM 676 C ALA A 47 2.729 4.156 -27.096 1.00 73.41 C ATOM 677 O ALA A 47 2.905 5.272 -27.587 1.00 62.32 O ATOM 678 CB ALA A 47 2.048 3.330 -24.830 1.00 61.02 C ATOM 0 H ALA A 47 3.220 5.784 -24.917 1.00 23.10 H new ATOM 0 HA ALA A 47 3.963 3.052 -25.779 1.00 63.51 H new ATOM 0 HB1 ALA A 47 1.579 2.477 -25.321 1.00 61.02 H new ATOM 0 HB2 ALA A 47 2.419 3.026 -23.851 1.00 61.02 H new ATOM 0 HB3 ALA A 47 1.314 4.127 -24.709 1.00 61.02 H new ATOM 684 N ASP A 48 2.107 3.156 -27.730 1.00 43.44 N ATOM 685 CA ASP A 48 1.715 3.210 -29.144 1.00 51.31 C ATOM 686 C ASP A 48 0.338 3.851 -29.345 1.00 41.22 C ATOM 687 O ASP A 48 -0.338 4.251 -28.387 1.00 41.42 O ATOM 688 CB ASP A 48 1.684 1.794 -29.741 1.00 34.15 C ATOM 689 CG ASP A 48 2.985 1.040 -29.551 1.00 34.52 C ATOM 690 OD1 ASP A 48 3.934 1.276 -30.323 1.00 61.52 O ATOM 691 OD2 ASP A 48 3.061 0.196 -28.630 1.00 44.10 O ATOM 0 H ASP A 48 1.859 2.279 -27.273 1.00 43.44 H new ATOM 0 HA ASP A 48 2.459 3.826 -29.650 1.00 51.31 H new ATOM 0 HB2 ASP A 48 0.873 1.230 -29.280 1.00 34.15 H new ATOM 0 HB3 ASP A 48 1.461 1.860 -30.806 1.00 34.15 H new ATOM 696 N ARG A 49 -0.062 3.925 -30.620 1.00 53.53 N ATOM 697 CA ARG A 49 -1.364 4.460 -31.031 1.00 35.31 C ATOM 698 C ARG A 49 -2.500 3.855 -30.208 1.00 63.41 C ATOM 699 O ARG A 49 -3.429 4.558 -29.813 1.00 64.05 O ATOM 700 CB ARG A 49 -1.602 4.164 -32.519 1.00 64.50 C ATOM 701 CG ARG A 49 -2.943 4.676 -33.054 1.00 25.32 C ATOM 702 CD ARG A 49 -3.236 4.141 -34.451 1.00 61.13 C ATOM 703 NE ARG A 49 -2.142 4.418 -35.383 1.00 44.12 N ATOM 704 CZ ARG A 49 -2.099 3.987 -36.642 1.00 64.24 C ATOM 705 NH1 ARG A 49 -3.106 3.286 -37.148 1.00 24.55 N ATOM 706 NH2 ARG A 49 -1.047 4.267 -37.396 1.00 74.33 N ATOM 0 H ARG A 49 0.514 3.612 -31.401 1.00 53.53 H new ATOM 0 HA ARG A 49 -1.352 5.537 -30.862 1.00 35.31 H new ATOM 0 HB2 ARG A 49 -0.796 4.612 -33.101 1.00 64.50 H new ATOM 0 HB3 ARG A 49 -1.548 3.087 -32.677 1.00 64.50 H new ATOM 0 HG2 ARG A 49 -3.743 4.378 -32.376 1.00 25.32 H new ATOM 0 HG3 ARG A 49 -2.933 5.766 -33.077 1.00 25.32 H new ATOM 0 HD2 ARG A 49 -3.405 3.065 -34.400 1.00 61.13 H new ATOM 0 HD3 ARG A 49 -4.155 4.591 -34.826 1.00 61.13 H new ATOM 0 HE ARG A 49 -1.360 4.979 -35.045 1.00 44.12 H new ATOM 0 HH11 ARG A 49 -3.920 3.074 -36.571 1.00 24.55 H new ATOM 0 HH12 ARG A 49 -3.066 2.959 -38.113 1.00 24.55 H new ATOM 0 HH21 ARG A 49 -0.274 4.811 -37.012 1.00 74.33 H new ATOM 0 HH22 ARG A 49 -1.009 3.939 -38.361 1.00 74.33 H new ATOM 720 N ALA A 50 -2.421 2.549 -29.959 1.00 72.03 N ATOM 721 CA ALA A 50 -3.426 1.852 -29.161 1.00 51.03 C ATOM 722 C ALA A 50 -3.618 2.561 -27.825 1.00 12.03 C ATOM 723 O ALA A 50 -4.742 2.852 -27.414 1.00 12.24 O ATOM 724 CB ALA A 50 -3.020 0.395 -28.949 1.00 12.12 C ATOM 0 H ALA A 50 -1.668 1.951 -30.300 1.00 72.03 H new ATOM 0 HA ALA A 50 -4.375 1.865 -29.698 1.00 51.03 H new ATOM 0 HB1 ALA A 50 -3.779 -0.111 -28.353 1.00 12.12 H new ATOM 0 HB2 ALA A 50 -2.927 -0.101 -29.915 1.00 12.12 H new ATOM 0 HB3 ALA A 50 -2.063 0.356 -28.428 1.00 12.12 H new ATOM 730 N ALA A 51 -2.502 2.880 -27.180 1.00 52.32 N ATOM 731 CA ALA A 51 -2.516 3.575 -25.900 1.00 4.44 C ATOM 732 C ALA A 51 -2.978 5.016 -26.071 1.00 42.22 C ATOM 733 O ALA A 51 -3.551 5.614 -25.157 1.00 11.11 O ATOM 734 CB ALA A 51 -1.142 3.526 -25.262 1.00 13.05 C ATOM 0 H ALA A 51 -1.567 2.665 -27.528 1.00 52.32 H new ATOM 0 HA ALA A 51 -3.223 3.071 -25.242 1.00 4.44 H new ATOM 0 HB1 ALA A 51 -1.166 4.049 -24.306 1.00 13.05 H new ATOM 0 HB2 ALA A 51 -0.853 2.488 -25.100 1.00 13.05 H new ATOM 0 HB3 ALA A 51 -0.418 4.006 -25.920 1.00 13.05 H new ATOM 740 N CYS A 52 -2.681 5.595 -27.225 1.00 32.44 N ATOM 741 CA CYS A 52 -3.232 6.905 -27.572 1.00 51.42 C ATOM 742 C CYS A 52 -4.760 6.864 -27.523 1.00 23.32 C ATOM 743 O CYS A 52 -5.403 7.776 -26.996 1.00 3.22 O ATOM 744 CB CYS A 52 -2.747 7.349 -28.959 1.00 61.32 C ATOM 745 SG CYS A 52 -3.357 8.968 -29.480 1.00 33.32 S ATOM 0 H CYS A 52 -2.069 5.188 -27.932 1.00 32.44 H new ATOM 0 HA CYS A 52 -2.879 7.634 -26.842 1.00 51.42 H new ATOM 0 HB2 CYS A 52 -1.657 7.367 -28.961 1.00 61.32 H new ATOM 0 HB3 CYS A 52 -3.055 6.605 -29.694 1.00 61.32 H new ATOM 0 HG CYS A 52 -3.601 9.698 -28.432 1.00 33.32 H new ATOM 751 N LEU A 53 -5.330 5.784 -28.050 1.00 43.35 N ATOM 752 CA LEU A 53 -6.778 5.600 -28.069 1.00 74.32 C ATOM 753 C LEU A 53 -7.315 5.311 -26.666 1.00 2.01 C ATOM 754 O LEU A 53 -8.479 5.593 -26.365 1.00 41.12 O ATOM 755 CB LEU A 53 -7.157 4.462 -29.029 1.00 44.01 C ATOM 756 CG LEU A 53 -6.762 4.686 -30.500 1.00 62.22 C ATOM 757 CD1 LEU A 53 -7.185 3.496 -31.361 1.00 70.12 C ATOM 758 CD2 LEU A 53 -7.371 5.980 -31.033 1.00 15.11 C ATOM 0 H LEU A 53 -4.806 5.017 -28.473 1.00 43.35 H new ATOM 0 HA LEU A 53 -7.232 6.526 -28.421 1.00 74.32 H new ATOM 0 HB2 LEU A 53 -6.688 3.542 -28.680 1.00 44.01 H new ATOM 0 HB3 LEU A 53 -8.235 4.309 -28.978 1.00 44.01 H new ATOM 0 HG LEU A 53 -5.677 4.775 -30.550 1.00 62.22 H new ATOM 0 HD11 LEU A 53 -6.896 3.675 -32.397 1.00 70.12 H new ATOM 0 HD12 LEU A 53 -6.695 2.592 -30.999 1.00 70.12 H new ATOM 0 HD13 LEU A 53 -8.266 3.371 -31.302 1.00 70.12 H new ATOM 0 HD21 LEU A 53 -7.079 6.118 -32.074 1.00 15.11 H new ATOM 0 HD22 LEU A 53 -8.458 5.926 -30.965 1.00 15.11 H new ATOM 0 HD23 LEU A 53 -7.012 6.822 -30.441 1.00 15.11 H new ATOM 770 N GLU A 54 -6.462 4.750 -25.810 1.00 54.41 N ATOM 771 CA GLU A 54 -6.859 4.401 -24.448 1.00 14.33 C ATOM 772 C GLU A 54 -6.965 5.640 -23.562 1.00 52.22 C ATOM 773 O GLU A 54 -7.995 5.868 -22.937 1.00 22.30 O ATOM 774 CB GLU A 54 -5.870 3.402 -23.825 1.00 0.25 C ATOM 775 CG GLU A 54 -5.778 2.076 -24.569 1.00 41.53 C ATOM 776 CD GLU A 54 -4.832 1.093 -23.896 1.00 73.12 C ATOM 777 OE1 GLU A 54 -3.616 1.367 -23.836 1.00 55.44 O ATOM 778 OE2 GLU A 54 -5.297 0.033 -23.424 1.00 65.32 O ATOM 0 H GLU A 54 -5.492 4.528 -26.036 1.00 54.41 H new ATOM 0 HA GLU A 54 -7.842 3.935 -24.510 1.00 14.33 H new ATOM 0 HB2 GLU A 54 -4.881 3.858 -23.793 1.00 0.25 H new ATOM 0 HB3 GLU A 54 -6.166 3.209 -22.794 1.00 0.25 H new ATOM 0 HG2 GLU A 54 -6.771 1.631 -24.636 1.00 41.53 H new ATOM 0 HG3 GLU A 54 -5.441 2.259 -25.589 1.00 41.53 H new ATOM 785 N TYR A 55 -5.908 6.447 -23.517 1.00 63.34 N ATOM 786 CA TYR A 55 -5.868 7.609 -22.618 1.00 53.30 C ATOM 787 C TYR A 55 -6.986 8.605 -22.929 1.00 12.43 C ATOM 788 O TYR A 55 -7.552 9.212 -22.015 1.00 25.40 O ATOM 789 CB TYR A 55 -4.480 8.275 -22.675 1.00 54.33 C ATOM 790 CG TYR A 55 -4.392 9.666 -22.080 1.00 33.53 C ATOM 791 CD1 TYR A 55 -4.471 9.865 -20.706 1.00 42.04 C ATOM 792 CD2 TYR A 55 -4.204 10.778 -22.896 1.00 54.33 C ATOM 793 CE1 TYR A 55 -4.364 11.129 -20.162 1.00 5.14 C ATOM 794 CE2 TYR A 55 -4.100 12.046 -22.359 1.00 14.43 C ATOM 795 CZ TYR A 55 -4.180 12.216 -20.991 1.00 71.24 C ATOM 796 OH TYR A 55 -4.068 13.476 -20.448 1.00 1.32 O ATOM 0 H TYR A 55 -5.071 6.324 -24.086 1.00 63.34 H new ATOM 0 HA TYR A 55 -6.038 7.259 -21.600 1.00 53.30 H new ATOM 0 HB2 TYR A 55 -3.768 7.633 -22.157 1.00 54.33 H new ATOM 0 HB3 TYR A 55 -4.164 8.325 -23.717 1.00 54.33 H new ATOM 0 HD1 TYR A 55 -4.618 9.017 -20.054 1.00 42.04 H new ATOM 0 HD2 TYR A 55 -4.138 10.647 -23.966 1.00 54.33 H new ATOM 0 HE1 TYR A 55 -4.424 11.266 -19.092 1.00 5.14 H new ATOM 0 HE2 TYR A 55 -3.957 12.900 -23.005 1.00 14.43 H new ATOM 0 HH TYR A 55 -3.941 14.131 -21.166 1.00 1.32 H new ATOM 806 N ILE A 56 -7.326 8.758 -24.205 1.00 72.14 N ATOM 807 CA ILE A 56 -8.409 9.662 -24.593 1.00 54.34 C ATOM 808 C ILE A 56 -9.773 9.096 -24.182 1.00 35.30 C ATOM 809 O ILE A 56 -10.637 9.828 -23.696 1.00 14.25 O ATOM 810 CB ILE A 56 -8.403 9.967 -26.118 1.00 50.34 C ATOM 811 CG1 ILE A 56 -9.590 10.875 -26.494 1.00 13.53 C ATOM 812 CG2 ILE A 56 -8.429 8.678 -26.936 1.00 54.41 C ATOM 813 CD1 ILE A 56 -9.604 11.295 -27.950 1.00 32.34 C ATOM 0 H ILE A 56 -6.875 8.275 -24.982 1.00 72.14 H new ATOM 0 HA ILE A 56 -8.236 10.599 -24.063 1.00 54.34 H new ATOM 0 HB ILE A 56 -7.478 10.494 -26.353 1.00 50.34 H new ATOM 0 HG12 ILE A 56 -10.520 10.353 -26.267 1.00 13.53 H new ATOM 0 HG13 ILE A 56 -9.565 11.767 -25.869 1.00 13.53 H new ATOM 0 HG21 ILE A 56 -8.424 8.921 -27.999 1.00 54.41 H new ATOM 0 HG22 ILE A 56 -7.551 8.078 -26.697 1.00 54.41 H new ATOM 0 HG23 ILE A 56 -9.330 8.114 -26.697 1.00 54.41 H new ATOM 0 HD11 ILE A 56 -10.469 11.932 -28.137 1.00 32.34 H new ATOM 0 HD12 ILE A 56 -8.692 11.846 -28.179 1.00 32.34 H new ATOM 0 HD13 ILE A 56 -9.662 10.410 -28.583 1.00 32.34 H new ATOM 825 N GLU A 57 -9.959 7.791 -24.365 1.00 31.32 N ATOM 826 CA GLU A 57 -11.232 7.141 -24.052 1.00 13.01 C ATOM 827 C GLU A 57 -11.420 7.009 -22.542 1.00 51.21 C ATOM 828 O GLU A 57 -12.407 7.492 -21.982 1.00 71.31 O ATOM 829 CB GLU A 57 -11.311 5.761 -24.714 1.00 52.35 C ATOM 830 CG GLU A 57 -12.683 5.104 -24.582 1.00 14.33 C ATOM 831 CD GLU A 57 -12.754 3.746 -25.257 1.00 72.01 C ATOM 832 OE1 GLU A 57 -12.840 3.702 -26.504 1.00 43.21 O ATOM 833 OE2 GLU A 57 -12.737 2.716 -24.553 1.00 53.13 O ATOM 0 H GLU A 57 -9.244 7.161 -24.729 1.00 31.32 H new ATOM 0 HA GLU A 57 -12.033 7.766 -24.447 1.00 13.01 H new ATOM 0 HB2 GLU A 57 -11.063 5.858 -25.771 1.00 52.35 H new ATOM 0 HB3 GLU A 57 -10.560 5.109 -24.269 1.00 52.35 H new ATOM 0 HG2 GLU A 57 -12.927 4.992 -23.526 1.00 14.33 H new ATOM 0 HG3 GLU A 57 -13.438 5.760 -25.016 1.00 14.33 H new ATOM 840 N GLU A 58 -10.465 6.347 -21.897 1.00 12.22 N ATOM 841 CA GLU A 58 -10.496 6.110 -20.453 1.00 60.15 C ATOM 842 C GLU A 58 -10.490 7.430 -19.683 1.00 33.10 C ATOM 843 O GLU A 58 -11.082 7.533 -18.605 1.00 31.32 O ATOM 844 CB GLU A 58 -9.288 5.250 -20.044 1.00 74.11 C ATOM 845 CG GLU A 58 -9.221 4.900 -18.558 1.00 63.14 C ATOM 846 CD GLU A 58 -10.435 4.123 -18.064 1.00 0.13 C ATOM 847 OE1 GLU A 58 -10.462 2.882 -18.222 1.00 52.44 O ATOM 848 OE2 GLU A 58 -11.364 4.750 -17.503 1.00 74.42 O ATOM 0 H GLU A 58 -9.644 5.957 -22.360 1.00 12.22 H new ATOM 0 HA GLU A 58 -11.416 5.580 -20.207 1.00 60.15 H new ATOM 0 HB2 GLU A 58 -9.308 4.325 -20.620 1.00 74.11 H new ATOM 0 HB3 GLU A 58 -8.375 5.778 -20.320 1.00 74.11 H new ATOM 0 HG2 GLU A 58 -8.322 4.313 -18.371 1.00 63.14 H new ATOM 0 HG3 GLU A 58 -9.127 5.819 -17.980 1.00 63.14 H new ATOM 855 N HIS A 59 -9.831 8.438 -20.255 1.00 11.51 N ATOM 856 CA HIS A 59 -9.691 9.754 -19.627 1.00 45.14 C ATOM 857 C HIS A 59 -8.787 9.671 -18.398 1.00 52.43 C ATOM 858 O HIS A 59 -8.411 8.582 -17.956 1.00 13.30 O ATOM 859 CB HIS A 59 -11.055 10.356 -19.223 1.00 40.10 C ATOM 860 CG HIS A 59 -12.019 10.534 -20.360 1.00 63.15 C ATOM 861 ND1 HIS A 59 -13.276 9.970 -20.375 1.00 32.20 N ATOM 862 CD2 HIS A 59 -11.913 11.235 -21.512 1.00 71.52 C ATOM 863 CE1 HIS A 59 -13.897 10.312 -21.486 1.00 40.20 C ATOM 864 NE2 HIS A 59 -13.093 11.080 -22.197 1.00 25.42 N ATOM 0 H HIS A 59 -9.379 8.366 -21.167 1.00 11.51 H new ATOM 0 HA HIS A 59 -9.240 10.411 -20.370 1.00 45.14 H new ATOM 0 HB2 HIS A 59 -11.514 9.713 -18.472 1.00 40.10 H new ATOM 0 HB3 HIS A 59 -10.885 11.324 -18.752 1.00 40.10 H new ATOM 0 HD2 HIS A 59 -11.058 11.811 -21.834 1.00 71.52 H new ATOM 0 HE1 HIS A 59 -14.896 10.014 -21.767 1.00 40.20 H new ATOM 0 HE2 HIS A 59 -13.312 11.490 -23.105 1.00 25.42 H new ATOM 873 N TRP A 60 -8.456 10.831 -17.849 1.00 72.13 N ATOM 874 CA TRP A 60 -7.606 10.926 -16.669 1.00 71.34 C ATOM 875 C TRP A 60 -7.611 12.371 -16.153 1.00 40.15 C ATOM 876 O TRP A 60 -7.814 12.599 -14.959 1.00 70.12 O ATOM 877 CB TRP A 60 -6.173 10.448 -16.980 1.00 31.04 C ATOM 878 CG TRP A 60 -5.366 10.124 -15.754 1.00 11.01 C ATOM 879 CD1 TRP A 60 -4.669 10.997 -14.968 1.00 44.10 C ATOM 880 CD2 TRP A 60 -5.171 8.825 -15.179 1.00 62.15 C ATOM 881 NE1 TRP A 60 -4.062 10.321 -13.936 1.00 64.53 N ATOM 882 CE2 TRP A 60 -4.353 8.986 -14.047 1.00 60.21 C ATOM 883 CE3 TRP A 60 -5.613 7.539 -15.516 1.00 74.23 C ATOM 884 CZ2 TRP A 60 -3.968 7.911 -13.249 1.00 64.01 C ATOM 885 CZ3 TRP A 60 -5.228 6.474 -14.723 1.00 24.12 C ATOM 886 CH2 TRP A 60 -4.413 6.666 -13.601 1.00 3.21 C ATOM 0 H TRP A 60 -8.769 11.733 -18.208 1.00 72.13 H new ATOM 0 HA TRP A 60 -8.001 10.273 -15.891 1.00 71.34 H new ATOM 0 HB2 TRP A 60 -6.224 9.564 -17.615 1.00 31.04 H new ATOM 0 HB3 TRP A 60 -5.657 11.221 -17.550 1.00 31.04 H new ATOM 0 HD1 TRP A 60 -4.604 12.062 -15.133 1.00 44.10 H new ATOM 0 HE1 TRP A 60 -3.488 10.744 -13.206 1.00 64.53 H new ATOM 0 HE3 TRP A 60 -6.243 7.383 -16.379 1.00 74.23 H new ATOM 0 HZ2 TRP A 60 -3.340 8.055 -12.382 1.00 64.01 H new ATOM 0 HZ3 TRP A 60 -5.561 5.478 -14.973 1.00 24.12 H new ATOM 0 HH2 TRP A 60 -4.130 5.814 -13.001 1.00 3.21 H new ATOM 897 N PRO A 61 -7.397 13.378 -17.043 1.00 53.15 N ATOM 898 CA PRO A 61 -7.547 14.788 -16.673 1.00 60.42 C ATOM 899 C PRO A 61 -9.015 15.219 -16.716 1.00 63.32 C ATOM 900 O PRO A 61 -9.917 14.397 -16.532 1.00 74.04 O ATOM 901 CB PRO A 61 -6.728 15.507 -17.751 1.00 23.13 C ATOM 902 CG PRO A 61 -6.900 14.658 -18.964 1.00 54.12 C ATOM 903 CD PRO A 61 -6.978 13.237 -18.463 1.00 12.01 C ATOM 0 HA PRO A 61 -7.214 15.006 -15.658 1.00 60.42 H new ATOM 0 HB2 PRO A 61 -7.092 16.521 -17.919 1.00 23.13 H new ATOM 0 HB3 PRO A 61 -5.679 15.588 -17.467 1.00 23.13 H new ATOM 0 HG2 PRO A 61 -7.804 14.931 -19.508 1.00 54.12 H new ATOM 0 HG3 PRO A 61 -6.064 14.785 -19.652 1.00 54.12 H new ATOM 0 HD2 PRO A 61 -7.697 12.651 -19.035 1.00 12.01 H new ATOM 0 HD3 PRO A 61 -6.016 12.731 -18.547 1.00 12.01 H new ATOM 911 N ASP A 62 -9.250 16.505 -16.964 1.00 32.11 N ATOM 912 CA ASP A 62 -10.608 17.051 -17.023 1.00 14.31 C ATOM 913 C ASP A 62 -11.297 16.673 -18.333 1.00 34.34 C ATOM 914 O ASP A 62 -10.757 15.906 -19.136 1.00 74.44 O ATOM 915 CB ASP A 62 -10.573 18.577 -16.886 1.00 44.51 C ATOM 916 CG ASP A 62 -9.883 19.041 -15.617 1.00 24.42 C ATOM 917 OD1 ASP A 62 -10.525 19.045 -14.545 1.00 14.01 O ATOM 918 OD2 ASP A 62 -8.691 19.408 -15.685 1.00 61.41 O ATOM 0 H ASP A 62 -8.515 17.193 -17.128 1.00 32.11 H new ATOM 0 HA ASP A 62 -11.175 16.624 -16.196 1.00 14.31 H new ATOM 0 HB2 ASP A 62 -10.060 19.002 -17.749 1.00 44.51 H new ATOM 0 HB3 ASP A 62 -11.593 18.961 -16.900 1.00 44.51 H new ATOM 923 N ILE A 63 -12.492 17.222 -18.548 1.00 0.00 N ATOM 924 CA ILE A 63 -13.273 16.951 -19.755 1.00 44.50 C ATOM 925 C ILE A 63 -13.546 18.244 -20.527 1.00 32.32 C ATOM 926 O ILE A 63 -13.477 19.346 -19.967 1.00 13.12 O ATOM 927 CB ILE A 63 -14.622 16.256 -19.420 1.00 41.40 C ATOM 928 CG1 ILE A 63 -15.466 17.128 -18.470 1.00 23.02 C ATOM 929 CG2 ILE A 63 -14.377 14.870 -18.817 1.00 3.52 C ATOM 930 CD1 ILE A 63 -16.825 16.541 -18.139 1.00 43.03 C ATOM 0 H ILE A 63 -12.944 17.863 -17.896 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.681 16.278 -20.375 1.00 44.50 H new ATOM 0 HB ILE A 63 -15.182 16.130 -20.347 1.00 41.40 H new ATOM 0 HG12 ILE A 63 -14.912 17.280 -17.544 1.00 23.02 H new ATOM 0 HG13 ILE A 63 -15.606 18.110 -18.922 1.00 23.02 H new ATOM 0 HG21 ILE A 63 -15.333 14.398 -18.589 1.00 3.52 H new ATOM 0 HG22 ILE A 63 -13.830 14.254 -19.531 1.00 3.52 H new ATOM 0 HG23 ILE A 63 -13.794 14.969 -17.902 1.00 3.52 H new ATOM 0 HD11 ILE A 63 -17.358 17.213 -17.466 1.00 43.03 H new ATOM 0 HD12 ILE A 63 -17.400 16.415 -19.056 1.00 43.03 H new ATOM 0 HD13 ILE A 63 -16.695 15.572 -17.656 1.00 43.03 H new ATOM 942 N ARG A 64 -13.856 18.098 -21.811 1.00 63.13 N ATOM 943 CA ARG A 64 -14.148 19.228 -22.691 1.00 42.30 C ATOM 944 C ARG A 64 -15.347 18.877 -23.576 1.00 24.20 C ATOM 945 O ARG A 64 -15.483 17.721 -23.987 1.00 71.42 O ATOM 946 CB ARG A 64 -12.910 19.546 -23.549 1.00 5.01 C ATOM 947 CG ARG A 64 -13.100 20.701 -24.535 1.00 72.23 C ATOM 948 CD ARG A 64 -11.816 21.023 -25.292 1.00 23.51 C ATOM 949 NE ARG A 64 -10.739 21.428 -24.387 1.00 24.12 N ATOM 950 CZ ARG A 64 -9.473 21.620 -24.759 1.00 51.34 C ATOM 951 NH1 ARG A 64 -9.114 21.468 -26.028 1.00 21.41 N ATOM 952 NH2 ARG A 64 -8.568 21.975 -23.854 1.00 1.45 N ATOM 0 H ARG A 64 -13.912 17.191 -22.274 1.00 63.13 H new ATOM 0 HA ARG A 64 -14.393 20.110 -22.100 1.00 42.30 H new ATOM 0 HB2 ARG A 64 -12.077 19.783 -22.888 1.00 5.01 H new ATOM 0 HB3 ARG A 64 -12.630 18.652 -24.106 1.00 5.01 H new ATOM 0 HG2 ARG A 64 -13.886 20.445 -25.246 1.00 72.23 H new ATOM 0 HG3 ARG A 64 -13.435 21.587 -23.995 1.00 72.23 H new ATOM 0 HD2 ARG A 64 -11.502 20.149 -25.863 1.00 23.51 H new ATOM 0 HD3 ARG A 64 -12.007 21.821 -26.010 1.00 23.51 H new ATOM 0 HE ARG A 64 -10.973 21.573 -23.405 1.00 24.12 H new ATOM 0 HH11 ARG A 64 -9.809 21.203 -26.726 1.00 21.41 H new ATOM 0 HH12 ARG A 64 -8.144 21.617 -26.305 1.00 21.41 H new ATOM 0 HH21 ARG A 64 -8.843 22.099 -22.880 1.00 1.45 H new ATOM 0 HH22 ARG A 64 -7.598 22.123 -24.133 1.00 1.45 H new ATOM 966 N PRO A 65 -16.248 19.849 -23.852 1.00 13.42 N ATOM 967 CA PRO A 65 -17.428 19.622 -24.701 1.00 21.15 C ATOM 968 C PRO A 65 -17.066 18.996 -26.053 1.00 52.11 C ATOM 969 O PRO A 65 -16.766 19.698 -27.022 1.00 62.12 O ATOM 970 CB PRO A 65 -18.021 21.031 -24.880 1.00 31.52 C ATOM 971 CG PRO A 65 -17.562 21.785 -23.677 1.00 32.30 C ATOM 972 CD PRO A 65 -16.198 21.240 -23.344 1.00 31.11 C ATOM 0 HA PRO A 65 -18.125 18.915 -24.251 1.00 21.15 H new ATOM 0 HB2 PRO A 65 -17.667 21.497 -25.800 1.00 31.52 H new ATOM 0 HB3 PRO A 65 -19.109 20.999 -24.937 1.00 31.52 H new ATOM 0 HG2 PRO A 65 -17.516 22.855 -23.881 1.00 32.30 H new ATOM 0 HG3 PRO A 65 -18.251 21.648 -22.844 1.00 32.30 H new ATOM 0 HD2 PRO A 65 -15.407 21.815 -23.826 1.00 31.11 H new ATOM 0 HD3 PRO A 65 -16.005 21.269 -22.272 1.00 31.11 H new ATOM 980 N LYS A 66 -17.061 17.667 -26.090 1.00 32.35 N ATOM 981 CA LYS A 66 -16.757 16.924 -27.304 1.00 12.54 C ATOM 982 C LYS A 66 -17.939 17.002 -28.271 1.00 64.54 C ATOM 983 O LYS A 66 -18.922 16.265 -28.139 1.00 64.34 O ATOM 984 CB LYS A 66 -16.408 15.467 -26.950 1.00 13.42 C ATOM 985 CG LYS A 66 -15.977 14.599 -28.140 1.00 20.12 C ATOM 986 CD LYS A 66 -17.102 13.703 -28.658 1.00 14.20 C ATOM 987 CE LYS A 66 -17.569 12.716 -27.593 1.00 34.20 C ATOM 988 NZ LYS A 66 -18.616 11.789 -28.098 1.00 63.22 N ATOM 0 H LYS A 66 -17.267 17.079 -25.282 1.00 32.35 H new ATOM 0 HA LYS A 66 -15.892 17.365 -27.799 1.00 12.54 H new ATOM 0 HB2 LYS A 66 -15.606 15.470 -26.212 1.00 13.42 H new ATOM 0 HB3 LYS A 66 -17.275 15.005 -26.477 1.00 13.42 H new ATOM 0 HG2 LYS A 66 -15.631 15.244 -28.948 1.00 20.12 H new ATOM 0 HG3 LYS A 66 -15.132 13.978 -27.844 1.00 20.12 H new ATOM 0 HD2 LYS A 66 -17.942 14.320 -28.976 1.00 14.20 H new ATOM 0 HD3 LYS A 66 -16.758 13.156 -29.536 1.00 14.20 H new ATOM 0 HE2 LYS A 66 -16.716 12.137 -27.239 1.00 34.20 H new ATOM 0 HE3 LYS A 66 -17.958 13.267 -26.737 1.00 34.20 H new ATOM 0 HZ1 LYS A 66 -18.900 11.139 -27.338 1.00 63.22 H new ATOM 0 HZ2 LYS A 66 -19.443 12.337 -28.412 1.00 63.22 H new ATOM 0 HZ3 LYS A 66 -18.239 11.242 -28.898 1.00 63.22 H new ATOM 1002 N SER A 67 -17.851 17.934 -29.210 1.00 62.31 N ATOM 1003 CA SER A 67 -18.908 18.158 -30.186 1.00 54.23 C ATOM 1004 C SER A 67 -18.430 17.752 -31.575 1.00 53.41 C ATOM 1005 O SER A 67 -17.454 18.300 -32.086 1.00 22.22 O ATOM 1006 CB SER A 67 -19.324 19.635 -30.175 1.00 60.21 C ATOM 1007 OG SER A 67 -20.451 19.863 -31.005 1.00 72.44 O ATOM 0 H SER A 67 -17.048 18.554 -29.316 1.00 62.31 H new ATOM 0 HA SER A 67 -19.772 17.548 -29.923 1.00 54.23 H new ATOM 0 HB2 SER A 67 -19.554 19.942 -29.155 1.00 60.21 H new ATOM 0 HB3 SER A 67 -18.491 20.251 -30.513 1.00 60.21 H new ATOM 0 HG SER A 67 -20.195 20.444 -31.752 1.00 72.44 H new ATOM 1013 N LEU A 68 -19.114 16.783 -32.172 1.00 64.11 N ATOM 1014 CA LEU A 68 -18.752 16.293 -33.499 1.00 43.11 C ATOM 1015 C LEU A 68 -19.135 17.317 -34.565 1.00 71.30 C ATOM 1016 O LEU A 68 -19.898 18.250 -34.300 1.00 53.54 O ATOM 1017 CB LEU A 68 -19.433 14.943 -33.801 1.00 3.52 C ATOM 1018 CG LEU A 68 -18.991 13.750 -32.926 1.00 74.14 C ATOM 1019 CD1 LEU A 68 -19.476 13.908 -31.487 1.00 65.05 C ATOM 1020 CD2 LEU A 68 -19.481 12.428 -33.521 1.00 63.42 C ATOM 0 H LEU A 68 -19.923 16.320 -31.759 1.00 64.11 H new ATOM 0 HA LEU A 68 -17.673 16.143 -33.516 1.00 43.11 H new ATOM 0 HB2 LEU A 68 -20.510 15.069 -33.690 1.00 3.52 H new ATOM 0 HB3 LEU A 68 -19.247 14.691 -34.845 1.00 3.52 H new ATOM 0 HG LEU A 68 -17.901 13.736 -32.911 1.00 74.14 H new ATOM 0 HD11 LEU A 68 -19.149 13.052 -30.897 1.00 65.05 H new ATOM 0 HD12 LEU A 68 -19.062 14.822 -31.062 1.00 65.05 H new ATOM 0 HD13 LEU A 68 -20.565 13.963 -31.474 1.00 65.05 H new ATOM 0 HD21 LEU A 68 -19.158 11.602 -32.888 1.00 63.42 H new ATOM 0 HD22 LEU A 68 -20.569 12.436 -33.579 1.00 63.42 H new ATOM 0 HD23 LEU A 68 -19.065 12.303 -34.521 1.00 63.42 H new ATOM 1032 N ARG A 69 -18.604 17.131 -35.769 1.00 72.54 N ATOM 1033 CA ARG A 69 -18.890 18.030 -36.880 1.00 51.11 C ATOM 1034 C ARG A 69 -20.352 17.915 -37.301 1.00 31.31 C ATOM 1035 O ARG A 69 -21.011 16.911 -37.012 1.00 25.43 O ATOM 1036 CB ARG A 69 -17.970 17.734 -38.071 1.00 23.24 C ATOM 1037 CG ARG A 69 -16.491 17.969 -37.776 1.00 3.32 C ATOM 1038 CD ARG A 69 -15.659 17.981 -39.050 1.00 63.15 C ATOM 1039 NE ARG A 69 -16.087 19.038 -39.970 1.00 63.40 N ATOM 1040 CZ ARG A 69 -15.458 19.342 -41.108 1.00 21.44 C ATOM 1041 NH1 ARG A 69 -14.380 18.662 -41.485 1.00 44.15 N ATOM 1042 NH2 ARG A 69 -15.908 20.328 -41.872 1.00 11.13 N ATOM 0 H ARG A 69 -17.972 16.364 -36.000 1.00 72.54 H new ATOM 0 HA ARG A 69 -18.703 19.050 -36.545 1.00 51.11 H new ATOM 0 HB2 ARG A 69 -18.110 16.698 -38.378 1.00 23.24 H new ATOM 0 HB3 ARG A 69 -18.267 18.359 -38.913 1.00 23.24 H new ATOM 0 HG2 ARG A 69 -16.370 18.918 -37.253 1.00 3.32 H new ATOM 0 HG3 ARG A 69 -16.124 17.189 -37.109 1.00 3.32 H new ATOM 0 HD2 ARG A 69 -14.608 18.123 -38.797 1.00 63.15 H new ATOM 0 HD3 ARG A 69 -15.739 17.013 -39.546 1.00 63.15 H new ATOM 0 HE ARG A 69 -16.918 19.576 -39.726 1.00 63.40 H new ATOM 0 HH11 ARG A 69 -14.027 17.902 -40.904 1.00 44.15 H new ATOM 0 HH12 ARG A 69 -13.905 18.900 -42.356 1.00 44.15 H new ATOM 0 HH21 ARG A 69 -16.735 20.855 -41.590 1.00 11.13 H new ATOM 0 HH22 ARG A 69 -15.427 20.560 -42.741 1.00 11.13 H new ATOM 1056 N ASP A 70 -20.841 18.945 -37.991 1.00 3.11 N ATOM 1057 CA ASP A 70 -22.250 19.032 -38.373 1.00 55.45 C ATOM 1058 C ASP A 70 -23.119 18.985 -37.114 1.00 61.12 C ATOM 1059 O ASP A 70 -24.076 18.218 -37.014 1.00 62.15 O ATOM 1060 CB ASP A 70 -22.627 17.900 -39.350 1.00 35.03 C ATOM 1061 CG ASP A 70 -23.920 18.177 -40.115 1.00 22.05 C ATOM 1062 OD1 ASP A 70 -25.019 18.002 -39.549 1.00 32.01 O ATOM 1063 OD2 ASP A 70 -23.839 18.548 -41.305 1.00 72.12 O ATOM 0 H ASP A 70 -20.277 19.737 -38.299 1.00 3.11 H new ATOM 0 HA ASP A 70 -22.423 19.976 -38.889 1.00 55.45 H new ATOM 0 HB2 ASP A 70 -21.814 17.756 -40.062 1.00 35.03 H new ATOM 0 HB3 ASP A 70 -22.733 16.968 -38.794 1.00 35.03 H new ATOM 1068 N LYS A 71 -22.765 19.819 -36.142 1.00 32.23 N ATOM 1069 CA LYS A 71 -23.505 19.889 -34.886 1.00 5.13 C ATOM 1070 C LYS A 71 -24.777 20.722 -35.068 1.00 53.24 C ATOM 1071 O LYS A 71 -25.461 21.062 -34.099 1.00 70.21 O ATOM 1072 CB LYS A 71 -22.617 20.476 -33.772 1.00 1.23 C ATOM 1073 CG LYS A 71 -23.197 20.340 -32.363 1.00 12.31 C ATOM 1074 CD LYS A 71 -23.427 18.879 -31.978 1.00 64.40 C ATOM 1075 CE LYS A 71 -23.921 18.740 -30.541 1.00 71.42 C ATOM 1076 NZ LYS A 71 -22.926 19.254 -29.564 1.00 55.15 N ATOM 0 H LYS A 71 -21.970 20.456 -36.199 1.00 32.23 H new ATOM 0 HA LYS A 71 -23.796 18.881 -34.591 1.00 5.13 H new ATOM 0 HB2 LYS A 71 -21.645 19.983 -33.801 1.00 1.23 H new ATOM 0 HB3 LYS A 71 -22.445 21.532 -33.980 1.00 1.23 H new ATOM 0 HG2 LYS A 71 -22.519 20.802 -31.645 1.00 12.31 H new ATOM 0 HG3 LYS A 71 -24.140 20.883 -32.305 1.00 12.31 H new ATOM 0 HD2 LYS A 71 -24.155 18.435 -32.657 1.00 64.40 H new ATOM 0 HD3 LYS A 71 -22.498 18.321 -32.098 1.00 64.40 H new ATOM 0 HE2 LYS A 71 -24.859 19.283 -30.425 1.00 71.42 H new ATOM 0 HE3 LYS A 71 -24.131 17.692 -30.329 1.00 71.42 H new ATOM 0 HZ1 LYS A 71 -22.770 18.543 -28.821 1.00 55.15 H new ATOM 0 HZ2 LYS A 71 -22.028 19.448 -30.052 1.00 55.15 H new ATOM 0 HZ3 LYS A 71 -23.283 20.131 -29.134 1.00 55.15 H new ATOM 1090 N LEU A 72 -25.089 21.051 -36.325 1.00 31.23 N ATOM 1091 CA LEU A 72 -26.340 21.722 -36.656 1.00 75.41 C ATOM 1092 C LEU A 72 -27.496 20.827 -36.237 1.00 62.01 C ATOM 1093 O LEU A 72 -28.469 21.277 -35.628 1.00 24.31 O ATOM 1094 CB LEU A 72 -26.405 22.022 -38.162 1.00 44.43 C ATOM 1095 CG LEU A 72 -27.691 22.718 -38.642 1.00 35.43 C ATOM 1096 CD1 LEU A 72 -27.874 24.066 -37.946 1.00 41.32 C ATOM 1097 CD2 LEU A 72 -27.678 22.888 -40.162 1.00 22.35 C ATOM 0 H LEU A 72 -24.489 20.861 -37.128 1.00 31.23 H new ATOM 0 HA LEU A 72 -26.402 22.672 -36.125 1.00 75.41 H new ATOM 0 HB2 LEU A 72 -25.553 22.648 -38.428 1.00 44.43 H new ATOM 0 HB3 LEU A 72 -26.294 21.085 -38.707 1.00 44.43 H new ATOM 0 HG LEU A 72 -28.538 22.085 -38.377 1.00 35.43 H new ATOM 0 HD11 LEU A 72 -28.790 24.538 -38.302 1.00 41.32 H new ATOM 0 HD12 LEU A 72 -27.940 23.913 -36.869 1.00 41.32 H new ATOM 0 HD13 LEU A 72 -27.023 24.710 -38.170 1.00 41.32 H new ATOM 0 HD21 LEU A 72 -28.596 23.382 -40.481 1.00 22.35 H new ATOM 0 HD22 LEU A 72 -26.820 23.494 -40.453 1.00 22.35 H new ATOM 0 HD23 LEU A 72 -27.609 21.909 -40.637 1.00 22.35 H new ATOM 1109 N ALA A 73 -27.361 19.545 -36.560 1.00 21.05 N ATOM 1110 CA ALA A 73 -28.274 18.527 -36.074 1.00 32.42 C ATOM 1111 C ALA A 73 -27.774 18.019 -34.728 1.00 24.44 C ATOM 1112 O ALA A 73 -27.054 17.021 -34.653 1.00 3.22 O ATOM 1113 CB ALA A 73 -28.394 17.387 -37.082 1.00 13.24 C ATOM 0 H ALA A 73 -26.619 19.188 -37.162 1.00 21.05 H new ATOM 0 HA ALA A 73 -29.268 18.956 -35.948 1.00 32.42 H new ATOM 0 HB1 ALA A 73 -29.083 16.634 -36.699 1.00 13.24 H new ATOM 0 HB2 ALA A 73 -28.771 17.776 -38.028 1.00 13.24 H new ATOM 0 HB3 ALA A 73 -27.414 16.936 -37.239 1.00 13.24 H new ATOM 1119 N THR A 74 -28.113 18.754 -33.673 1.00 10.11 N ATOM 1120 CA THR A 74 -27.681 18.419 -32.322 1.00 74.24 C ATOM 1121 C THR A 74 -28.230 17.060 -31.896 1.00 61.13 C ATOM 1122 O THR A 74 -27.577 16.312 -31.163 1.00 15.44 O ATOM 1123 CB THR A 74 -28.122 19.511 -31.317 1.00 41.53 C ATOM 1124 OG1 THR A 74 -29.503 19.853 -31.535 1.00 14.22 O ATOM 1125 CG2 THR A 74 -27.263 20.763 -31.452 1.00 11.04 C ATOM 0 H THR A 74 -28.691 19.593 -33.730 1.00 10.11 H new ATOM 0 HA THR A 74 -26.592 18.367 -32.323 1.00 74.24 H new ATOM 0 HB THR A 74 -27.996 19.111 -30.311 1.00 41.53 H new ATOM 0 HG1 THR A 74 -29.774 20.543 -30.894 1.00 14.22 H new ATOM 0 HG21 THR A 74 -27.596 21.512 -30.734 1.00 11.04 H new ATOM 0 HG22 THR A 74 -26.220 20.512 -31.257 1.00 11.04 H new ATOM 0 HG23 THR A 74 -27.357 21.162 -32.462 1.00 11.04 H new ATOM 1133 N GLY A 75 -29.428 16.744 -32.375 1.00 52.32 N ATOM 1134 CA GLY A 75 -30.042 15.464 -32.088 1.00 72.52 C ATOM 1135 C GLY A 75 -29.597 14.402 -33.071 1.00 42.43 C ATOM 1136 O GLY A 75 -30.385 13.950 -33.905 1.00 43.23 O ATOM 0 H GLY A 75 -29.989 17.360 -32.963 1.00 52.32 H new ATOM 0 HA2 GLY A 75 -29.784 15.155 -31.075 1.00 72.52 H new ATOM 0 HA3 GLY A 75 -31.127 15.563 -32.125 1.00 72.52 H new ATOM 1140 N ARG A 76 -28.333 14.004 -32.972 1.00 35.04 N ATOM 1141 CA ARG A 76 -27.764 13.000 -33.872 1.00 4.50 C ATOM 1142 C ARG A 76 -28.289 11.611 -33.516 1.00 12.31 C ATOM 1143 O ARG A 76 -28.080 10.634 -34.239 1.00 73.20 O ATOM 1144 CB ARG A 76 -26.229 13.036 -33.802 1.00 60.21 C ATOM 1145 CG ARG A 76 -25.529 12.181 -34.858 1.00 70.14 C ATOM 1146 CD ARG A 76 -25.839 12.666 -36.271 1.00 54.54 C ATOM 1147 NE ARG A 76 -25.427 14.061 -36.478 1.00 2.04 N ATOM 1148 CZ ARG A 76 -25.650 14.751 -37.601 1.00 41.13 C ATOM 1149 NH1 ARG A 76 -26.295 14.186 -38.616 1.00 34.14 N ATOM 1150 NH2 ARG A 76 -25.228 16.008 -37.703 1.00 60.43 N ATOM 0 H ARG A 76 -27.679 14.361 -32.276 1.00 35.04 H new ATOM 0 HA ARG A 76 -28.068 13.229 -34.893 1.00 4.50 H new ATOM 0 HB2 ARG A 76 -25.897 14.069 -33.909 1.00 60.21 H new ATOM 0 HB3 ARG A 76 -25.914 12.701 -32.814 1.00 60.21 H new ATOM 0 HG2 ARG A 76 -24.452 12.207 -34.692 1.00 70.14 H new ATOM 0 HG3 ARG A 76 -25.843 11.143 -34.752 1.00 70.14 H new ATOM 0 HD2 ARG A 76 -25.331 12.027 -36.993 1.00 54.54 H new ATOM 0 HD3 ARG A 76 -26.908 12.572 -36.460 1.00 54.54 H new ATOM 0 HE ARG A 76 -24.940 14.533 -35.716 1.00 2.04 H new ATOM 0 HH11 ARG A 76 -26.622 13.223 -38.540 1.00 34.14 H new ATOM 0 HH12 ARG A 76 -26.463 14.716 -39.471 1.00 34.14 H new ATOM 0 HH21 ARG A 76 -24.734 16.445 -36.925 1.00 60.43 H new ATOM 0 HH22 ARG A 76 -25.398 16.535 -38.560 1.00 60.43 H new ATOM 1164 N GLY A 77 -28.971 11.551 -32.390 1.00 43.11 N ATOM 1165 CA GLY A 77 -29.614 10.336 -31.940 1.00 54.42 C ATOM 1166 C GLY A 77 -31.025 10.617 -31.470 1.00 15.24 C ATOM 1167 O GLY A 77 -31.291 11.667 -30.877 1.00 61.11 O ATOM 0 H GLY A 77 -29.094 12.345 -31.762 1.00 43.11 H new ATOM 0 HA2 GLY A 77 -29.634 9.608 -32.751 1.00 54.42 H new ATOM 0 HA3 GLY A 77 -29.037 9.893 -31.128 1.00 54.42 H new ATOM 1171 N PHE A 78 -31.940 9.704 -31.755 1.00 22.23 N ATOM 1172 CA PHE A 78 -33.334 9.869 -31.353 1.00 73.44 C ATOM 1173 C PHE A 78 -33.540 9.424 -29.906 1.00 12.01 C ATOM 1174 O PHE A 78 -32.878 8.502 -29.428 1.00 2.23 O ATOM 1175 CB PHE A 78 -34.269 9.100 -32.299 1.00 60.31 C ATOM 1176 CG PHE A 78 -33.960 7.626 -32.427 1.00 23.21 C ATOM 1177 CD1 PHE A 78 -34.535 6.700 -31.565 1.00 23.21 C ATOM 1178 CD2 PHE A 78 -33.101 7.167 -33.417 1.00 25.02 C ATOM 1179 CE1 PHE A 78 -34.255 5.353 -31.687 1.00 21.11 C ATOM 1180 CE2 PHE A 78 -32.822 5.821 -33.542 1.00 31.41 C ATOM 1181 CZ PHE A 78 -33.400 4.914 -32.676 1.00 42.13 C ATOM 0 H PHE A 78 -31.746 8.841 -32.263 1.00 22.23 H new ATOM 0 HA PHE A 78 -33.581 10.929 -31.419 1.00 73.44 H new ATOM 0 HB2 PHE A 78 -35.294 9.214 -31.947 1.00 60.31 H new ATOM 0 HB3 PHE A 78 -34.219 9.556 -33.288 1.00 60.31 H new ATOM 0 HD1 PHE A 78 -35.208 7.037 -30.791 1.00 23.21 H new ATOM 0 HD2 PHE A 78 -32.646 7.872 -34.097 1.00 25.02 H new ATOM 0 HE1 PHE A 78 -34.705 4.644 -31.008 1.00 21.11 H new ATOM 0 HE2 PHE A 78 -32.152 5.478 -34.316 1.00 31.41 H new ATOM 0 HZ PHE A 78 -33.182 3.861 -32.773 1.00 42.13 H new ATOM 1191 N ASP A 79 -34.444 10.107 -29.214 1.00 52.44 N ATOM 1192 CA ASP A 79 -34.771 9.786 -27.825 1.00 4.14 C ATOM 1193 C ASP A 79 -35.555 8.478 -27.752 1.00 34.43 C ATOM 1194 O ASP A 79 -35.087 7.482 -27.191 1.00 22.44 O ATOM 1195 CB ASP A 79 -35.583 10.931 -27.197 1.00 50.33 C ATOM 1196 CG ASP A 79 -36.088 10.608 -25.796 1.00 31.15 C ATOM 1197 OD1 ASP A 79 -35.331 10.810 -24.823 1.00 74.11 O ATOM 1198 OD2 ASP A 79 -37.247 10.162 -25.665 1.00 63.52 O ATOM 0 H ASP A 79 -34.969 10.894 -29.594 1.00 52.44 H new ATOM 0 HA ASP A 79 -33.844 9.664 -27.265 1.00 4.14 H new ATOM 0 HB2 ASP A 79 -34.964 11.827 -27.156 1.00 50.33 H new ATOM 0 HB3 ASP A 79 -36.433 11.160 -27.839 1.00 50.33 H new ATOM 1203 N GLN A 80 -36.743 8.487 -28.342 1.00 32.33 N ATOM 1204 CA GLN A 80 -37.615 7.322 -28.369 1.00 51.35 C ATOM 1205 C GLN A 80 -37.952 6.964 -29.816 1.00 60.12 C ATOM 1206 O GLN A 80 -38.630 7.772 -30.490 1.00 14.05 O ATOM 1207 CB GLN A 80 -38.894 7.591 -27.561 1.00 42.55 C ATOM 1208 CG GLN A 80 -39.892 6.438 -27.584 1.00 4.25 C ATOM 1209 CD GLN A 80 -41.114 6.709 -26.726 1.00 22.13 C ATOM 1210 OE1 GLN A 80 -42.095 7.292 -27.186 1.00 60.13 O ATOM 1211 NE2 GLN A 80 -41.070 6.270 -25.479 1.00 63.52 N ATOM 1212 OXT GLN A 80 -37.534 5.881 -30.275 1.00 0.00 O ATOM 0 H GLN A 80 -37.129 9.304 -28.816 1.00 32.33 H new ATOM 0 HA GLN A 80 -37.099 6.478 -27.911 1.00 51.35 H new ATOM 0 HB2 GLN A 80 -38.621 7.802 -26.527 1.00 42.55 H new ATOM 0 HB3 GLN A 80 -39.378 8.486 -27.952 1.00 42.55 H new ATOM 0 HG2 GLN A 80 -40.207 6.255 -28.611 1.00 4.25 H new ATOM 0 HG3 GLN A 80 -39.401 5.530 -27.234 1.00 4.25 H new ATOM 0 HE21 GLN A 80 -40.237 5.791 -25.136 1.00 63.52 H new ATOM 0 HE22 GLN A 80 -41.869 6.410 -24.860 1.00 63.52 H new TER 1221 GLN A 80