USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 788 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 31 HIS : no HE2:sc= -8.57! C(o=-8.6!,f=-9.5!) USER MOD Set 1.2: A 47 SER OG : rot 90:sc= 0.0045 USER MOD Single : A 1 TYR N :NH3+ 130:sc= 0.019 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS :FLIP no HD1:sc= -2.26! C(o=-3.2!,f=-2.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -150:sc= -0.956 USER MOD Single : A 26 SER OG : rot -30:sc= 0.411 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN :FLIP amide:sc= -3.45! C(o=-7.3!,f=-3.5!) USER MOD Single : A 38 MET CE :methyl -179:sc= -1.78 (180deg=-1.79) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 150:sc= -0.865 (180deg=-1.43) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 64 ASN :FLIP amide:sc= 0.0845 F(o=-1.3,f=0.085) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= -1.71! USER MOD Single : A 88 GLN : amide:sc= -1.61 K(o=-1.6,f=-2.8!) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 0.646 -0.581 -0.178 1.00 3.23 N ATOM 2 CA TYR A 1 1.681 -0.417 -1.192 1.00 54.32 C ATOM 3 C TYR A 1 2.686 -1.563 -1.136 1.00 11.13 C ATOM 4 O TYR A 1 2.992 -2.081 -0.063 1.00 24.04 O ATOM 5 CB TYR A 1 2.402 0.919 -1.004 1.00 31.12 C ATOM 6 CG TYR A 1 3.310 1.284 -2.156 1.00 3.30 C ATOM 7 CD1 TYR A 1 2.840 1.284 -3.464 1.00 25.53 C ATOM 8 CD2 TYR A 1 4.638 1.629 -1.937 1.00 42.33 C ATOM 9 CE1 TYR A 1 3.667 1.616 -4.520 1.00 12.02 C ATOM 10 CE2 TYR A 1 5.471 1.965 -2.987 1.00 63.50 C ATOM 11 CZ TYR A 1 4.981 1.956 -4.276 1.00 41.23 C ATOM 12 OH TYR A 1 5.808 2.288 -5.325 1.00 2.22 O ATOM 0 H1 TYR A 1 0.543 0.304 0.359 1.00 3.23 H new ATOM 0 H2 TYR A 1 -0.257 -0.814 -0.638 1.00 3.23 H new ATOM 0 H3 TYR A 1 0.913 -1.350 0.469 1.00 3.23 H new ATOM 0 HA TYR A 1 1.200 -0.428 -2.170 1.00 54.32 H new ATOM 0 HB2 TYR A 1 1.661 1.707 -0.873 1.00 31.12 H new ATOM 0 HB3 TYR A 1 2.990 0.879 -0.087 1.00 31.12 H new ATOM 0 HD1 TYR A 1 1.811 1.020 -3.658 1.00 25.53 H new ATOM 0 HD2 TYR A 1 5.026 1.635 -0.929 1.00 42.33 H new ATOM 0 HE1 TYR A 1 3.286 1.609 -5.531 1.00 12.02 H new ATOM 0 HE2 TYR A 1 6.500 2.233 -2.799 1.00 63.50 H new ATOM 0 HH TYR A 1 6.701 2.503 -4.982 1.00 2.22 H new ATOM 22 N GLU A 2 3.196 -1.952 -2.300 1.00 74.41 N ATOM 23 CA GLU A 2 4.166 -3.037 -2.384 1.00 23.23 C ATOM 24 C GLU A 2 4.966 -2.953 -3.681 1.00 31.13 C ATOM 25 O GLU A 2 4.625 -3.593 -4.675 1.00 70.00 O ATOM 26 CB GLU A 2 3.460 -4.392 -2.294 1.00 51.42 C ATOM 27 CG GLU A 2 2.759 -4.626 -0.967 1.00 11.24 C ATOM 28 CD GLU A 2 2.121 -5.999 -0.878 1.00 3.32 C ATOM 29 OE1 GLU A 2 2.869 -6.999 -0.855 1.00 11.02 O ATOM 30 OE2 GLU A 2 0.876 -6.073 -0.832 1.00 33.23 O ATOM 0 H GLU A 2 2.954 -1.532 -3.197 1.00 74.41 H new ATOM 0 HA GLU A 2 4.855 -2.939 -1.545 1.00 23.23 H new ATOM 0 HB2 GLU A 2 2.729 -4.466 -3.099 1.00 51.42 H new ATOM 0 HB3 GLU A 2 4.191 -5.184 -2.454 1.00 51.42 H new ATOM 0 HG2 GLU A 2 3.477 -4.510 -0.156 1.00 11.24 H new ATOM 0 HG3 GLU A 2 1.993 -3.864 -0.826 1.00 11.24 H new ATOM 37 N ALA A 3 6.031 -2.158 -3.662 1.00 30.42 N ATOM 38 CA ALA A 3 6.880 -1.991 -4.835 1.00 21.13 C ATOM 39 C ALA A 3 6.097 -1.395 -5.999 1.00 54.21 C ATOM 40 O ALA A 3 4.925 -1.707 -6.215 1.00 65.25 O ATOM 41 CB ALA A 3 7.494 -3.324 -5.236 1.00 72.15 C ATOM 0 H ALA A 3 6.326 -1.620 -2.847 1.00 30.42 H new ATOM 0 HA ALA A 3 7.681 -1.298 -4.578 1.00 21.13 H new ATOM 0 HB1 ALA A 3 8.126 -3.184 -6.113 1.00 72.15 H new ATOM 0 HB2 ALA A 3 8.096 -3.710 -4.413 1.00 72.15 H new ATOM 0 HB3 ALA A 3 6.701 -4.034 -5.469 1.00 72.15 H new ATOM 47 N PRO A 4 6.755 -0.515 -6.768 1.00 3.12 N ATOM 48 CA PRO A 4 6.139 0.144 -7.923 1.00 60.34 C ATOM 49 C PRO A 4 5.887 -0.823 -9.075 1.00 62.04 C ATOM 50 O PRO A 4 6.474 -1.903 -9.151 1.00 42.43 O ATOM 51 CB PRO A 4 7.175 1.197 -8.326 1.00 33.35 C ATOM 52 CG PRO A 4 8.473 0.661 -7.828 1.00 74.20 C ATOM 53 CD PRO A 4 8.153 -0.096 -6.568 1.00 52.34 C ATOM 0 HA PRO A 4 5.161 0.560 -7.681 1.00 60.34 H new ATOM 0 HB2 PRO A 4 7.194 1.340 -9.406 1.00 33.35 H new ATOM 0 HB3 PRO A 4 6.949 2.166 -7.880 1.00 33.35 H new ATOM 0 HG2 PRO A 4 8.935 0.008 -8.568 1.00 74.20 H new ATOM 0 HG3 PRO A 4 9.178 1.468 -7.630 1.00 74.20 H new ATOM 0 HD2 PRO A 4 8.814 -0.952 -6.435 1.00 52.34 H new ATOM 0 HD3 PRO A 4 8.262 0.532 -5.683 1.00 52.34 H new ATOM 61 N PRO A 5 4.994 -0.429 -9.995 1.00 41.12 N ATOM 62 CA PRO A 5 4.645 -1.246 -11.161 1.00 62.21 C ATOM 63 C PRO A 5 5.787 -1.338 -12.167 1.00 63.32 C ATOM 64 O PRO A 5 6.421 -0.335 -12.495 1.00 31.54 O ATOM 65 CB PRO A 5 3.454 -0.504 -11.771 1.00 53.31 C ATOM 66 CG PRO A 5 3.622 0.909 -11.330 1.00 52.30 C ATOM 67 CD PRO A 5 4.256 0.845 -9.968 1.00 44.33 C ATOM 0 HA PRO A 5 4.426 -2.277 -10.885 1.00 62.21 H new ATOM 0 HB2 PRO A 5 3.454 -0.582 -12.858 1.00 53.31 H new ATOM 0 HB3 PRO A 5 2.508 -0.918 -11.421 1.00 53.31 H new ATOM 0 HG2 PRO A 5 4.250 1.463 -12.027 1.00 52.30 H new ATOM 0 HG3 PRO A 5 2.661 1.422 -11.289 1.00 52.30 H new ATOM 0 HD2 PRO A 5 4.921 1.691 -9.794 1.00 44.33 H new ATOM 0 HD3 PRO A 5 3.508 0.859 -9.175 1.00 44.33 H new ATOM 75 N ALA A 6 6.044 -2.548 -12.655 1.00 4.35 N ATOM 76 CA ALA A 6 7.109 -2.770 -13.625 1.00 54.34 C ATOM 77 C ALA A 6 6.588 -2.633 -15.052 1.00 53.40 C ATOM 78 O ALA A 6 5.486 -3.083 -15.368 1.00 61.24 O ATOM 79 CB ALA A 6 7.733 -4.142 -13.419 1.00 44.32 C ATOM 0 H ALA A 6 5.529 -3.389 -12.394 1.00 4.35 H new ATOM 0 HA ALA A 6 7.873 -2.008 -13.470 1.00 54.34 H new ATOM 0 HB1 ALA A 6 8.527 -4.294 -14.150 1.00 44.32 H new ATOM 0 HB2 ALA A 6 8.149 -4.205 -12.413 1.00 44.32 H new ATOM 0 HB3 ALA A 6 6.971 -4.911 -13.545 1.00 44.32 H new ATOM 85 N THR A 7 7.386 -2.007 -15.911 1.00 41.42 N ATOM 86 CA THR A 7 7.005 -1.808 -17.304 1.00 32.32 C ATOM 87 C THR A 7 7.533 -2.935 -18.184 1.00 43.23 C ATOM 88 O THR A 7 8.524 -2.767 -18.897 1.00 52.11 O ATOM 89 CB THR A 7 7.526 -0.463 -17.843 1.00 1.11 C ATOM 90 OG1 THR A 7 7.196 0.591 -16.931 1.00 44.03 O ATOM 91 CG2 THR A 7 6.932 -0.161 -19.211 1.00 25.43 C ATOM 0 H THR A 7 8.301 -1.629 -15.666 1.00 41.42 H new ATOM 0 HA THR A 7 5.915 -1.805 -17.336 1.00 32.32 H new ATOM 0 HB THR A 7 8.609 -0.532 -17.942 1.00 1.11 H new ATOM 0 HG1 THR A 7 7.532 1.443 -17.280 1.00 44.03 H new ATOM 0 HG21 THR A 7 7.315 0.794 -19.571 1.00 25.43 H new ATOM 0 HG22 THR A 7 7.209 -0.950 -19.910 1.00 25.43 H new ATOM 0 HG23 THR A 7 5.846 -0.110 -19.133 1.00 25.43 H new ATOM 99 N LEU A 8 6.867 -4.083 -18.132 1.00 1.25 N ATOM 100 CA LEU A 8 7.270 -5.238 -18.926 1.00 33.32 C ATOM 101 C LEU A 8 6.822 -5.085 -20.376 1.00 31.01 C ATOM 102 O LEU A 8 5.636 -5.200 -20.684 1.00 63.13 O ATOM 103 CB LEU A 8 6.683 -6.520 -18.332 1.00 12.13 C ATOM 104 CG LEU A 8 6.727 -6.635 -16.808 1.00 10.35 C ATOM 105 CD1 LEU A 8 5.360 -6.338 -16.210 1.00 4.20 C ATOM 106 CD2 LEU A 8 7.204 -8.018 -16.390 1.00 64.15 C ATOM 0 H LEU A 8 6.045 -4.239 -17.548 1.00 1.25 H new ATOM 0 HA LEU A 8 8.358 -5.300 -18.906 1.00 33.32 H new ATOM 0 HB2 LEU A 8 5.645 -6.603 -18.653 1.00 12.13 H new ATOM 0 HB3 LEU A 8 7.217 -7.371 -18.756 1.00 12.13 H new ATOM 0 HG LEU A 8 7.435 -5.898 -16.429 1.00 10.35 H new ATOM 0 HD11 LEU A 8 5.411 -6.425 -15.125 1.00 4.20 H new ATOM 0 HD12 LEU A 8 5.057 -5.326 -16.479 1.00 4.20 H new ATOM 0 HD13 LEU A 8 4.631 -7.050 -16.597 1.00 4.20 H new ATOM 0 HD21 LEU A 8 7.229 -8.081 -15.302 1.00 64.15 H new ATOM 0 HD22 LEU A 8 6.521 -8.772 -16.782 1.00 64.15 H new ATOM 0 HD23 LEU A 8 8.204 -8.193 -16.786 1.00 64.15 H new ATOM 118 N GLU A 9 7.779 -4.827 -21.261 1.00 43.14 N ATOM 119 CA GLU A 9 7.483 -4.660 -22.679 1.00 55.52 C ATOM 120 C GLU A 9 7.340 -6.013 -23.369 1.00 24.42 C ATOM 121 O GLU A 9 7.041 -7.020 -22.727 1.00 71.15 O ATOM 122 CB GLU A 9 8.582 -3.841 -23.360 1.00 34.01 C ATOM 123 CG GLU A 9 9.025 -2.630 -22.556 1.00 71.12 C ATOM 124 CD GLU A 9 8.426 -1.336 -23.073 1.00 21.25 C ATOM 125 OE1 GLU A 9 8.714 -0.971 -24.232 1.00 4.25 O ATOM 126 OE2 GLU A 9 7.670 -0.689 -22.318 1.00 60.24 O ATOM 0 H GLU A 9 8.766 -4.729 -21.021 1.00 43.14 H new ATOM 0 HA GLU A 9 6.536 -4.126 -22.765 1.00 55.52 H new ATOM 0 HB2 GLU A 9 9.444 -4.483 -23.539 1.00 34.01 H new ATOM 0 HB3 GLU A 9 8.225 -3.509 -24.335 1.00 34.01 H new ATOM 0 HG2 GLU A 9 8.740 -2.767 -21.513 1.00 71.12 H new ATOM 0 HG3 GLU A 9 10.112 -2.559 -22.582 1.00 71.12 H new ATOM 133 N ALA A 10 7.557 -6.029 -24.680 1.00 2.41 N ATOM 134 CA ALA A 10 7.455 -7.258 -25.457 1.00 0.32 C ATOM 135 C ALA A 10 8.512 -7.302 -26.555 1.00 22.51 C ATOM 136 O ALA A 10 8.226 -7.012 -27.717 1.00 30.40 O ATOM 137 CB ALA A 10 6.063 -7.389 -26.056 1.00 53.12 C ATOM 0 H ALA A 10 7.805 -5.204 -25.226 1.00 2.41 H new ATOM 0 HA ALA A 10 7.630 -8.099 -24.786 1.00 0.32 H new ATOM 0 HB1 ALA A 10 6.001 -8.311 -26.634 1.00 53.12 H new ATOM 0 HB2 ALA A 10 5.323 -7.411 -25.256 1.00 53.12 H new ATOM 0 HB3 ALA A 10 5.866 -6.538 -26.708 1.00 53.12 H new ATOM 143 N ILE A 11 9.734 -7.667 -26.179 1.00 55.44 N ATOM 144 CA ILE A 11 10.833 -7.749 -27.133 1.00 74.32 C ATOM 145 C ILE A 11 10.648 -8.928 -28.083 1.00 44.45 C ATOM 146 O ILE A 11 9.745 -9.746 -27.907 1.00 64.20 O ATOM 147 CB ILE A 11 12.189 -7.888 -26.418 1.00 25.50 C ATOM 148 CG1 ILE A 11 12.291 -6.883 -25.270 1.00 12.45 C ATOM 149 CG2 ILE A 11 13.331 -7.691 -27.404 1.00 71.33 C ATOM 150 CD1 ILE A 11 12.691 -5.494 -25.716 1.00 42.11 C ATOM 0 H ILE A 11 9.987 -7.910 -25.221 1.00 55.44 H new ATOM 0 HA ILE A 11 10.826 -6.821 -27.704 1.00 74.32 H new ATOM 0 HB ILE A 11 12.262 -8.893 -26.003 1.00 25.50 H new ATOM 0 HG12 ILE A 11 11.330 -6.829 -24.759 1.00 12.45 H new ATOM 0 HG13 ILE A 11 13.018 -7.246 -24.544 1.00 12.45 H new ATOM 0 HG21 ILE A 11 14.283 -7.792 -26.883 1.00 71.33 H new ATOM 0 HG22 ILE A 11 13.266 -8.443 -28.191 1.00 71.33 H new ATOM 0 HG23 ILE A 11 13.263 -6.697 -27.846 1.00 71.33 H new ATOM 0 HD11 ILE A 11 12.743 -4.835 -24.850 1.00 42.11 H new ATOM 0 HD12 ILE A 11 13.666 -5.534 -26.201 1.00 42.11 H new ATOM 0 HD13 ILE A 11 11.952 -5.111 -26.419 1.00 42.11 H new ATOM 162 N HIS A 12 11.511 -9.009 -29.091 1.00 44.33 N ATOM 163 CA HIS A 12 11.446 -10.089 -30.069 1.00 53.01 C ATOM 164 C HIS A 12 11.470 -11.449 -29.378 1.00 72.24 C ATOM 165 O HIS A 12 11.681 -11.555 -28.170 1.00 61.31 O ATOM 166 CB HIS A 12 12.609 -9.984 -31.055 1.00 62.04 C ATOM 167 CG HIS A 12 12.189 -9.593 -32.439 1.00 35.33 C ATOM 168 ND1 HIS A 12 10.978 -9.639 -33.042 1.00 61.03 N flip ATOM 169 CD2 HIS A 12 13.063 -9.086 -33.376 1.00 73.40 C flip ATOM 170 CE1 HIS A 12 11.141 -9.163 -34.320 1.00 23.41 C flip ATOM 171 NE2 HIS A 12 12.408 -8.835 -34.496 1.00 11.05 N flip ATOM 0 H HIS A 12 12.264 -8.339 -29.252 1.00 44.33 H new ATOM 0 HA HIS A 12 10.508 -9.995 -30.616 1.00 53.01 H new ATOM 0 HB2 HIS A 12 13.326 -9.253 -30.682 1.00 62.04 H new ATOM 0 HB3 HIS A 12 13.125 -10.943 -31.098 1.00 62.04 H new ATOM 0 HD2 HIS A 12 14.119 -8.920 -33.219 1.00 73.40 H new ATOM 0 HE1 HIS A 12 10.360 -9.072 -35.060 1.00 23.41 H new ATOM 0 HE2 HIS A 12 12.812 -8.453 -35.351 1.00 11.05 H new ATOM 179 N PRO A 13 11.248 -12.515 -30.162 1.00 33.25 N ATOM 180 CA PRO A 13 11.239 -13.888 -29.647 1.00 13.35 C ATOM 181 C PRO A 13 12.628 -14.360 -29.231 1.00 13.24 C ATOM 182 O PRO A 13 12.887 -15.560 -29.145 1.00 21.33 O ATOM 183 CB PRO A 13 10.728 -14.709 -30.833 1.00 41.53 C ATOM 184 CG PRO A 13 11.087 -13.902 -32.034 1.00 34.43 C ATOM 185 CD PRO A 13 10.989 -12.463 -31.610 1.00 52.12 C ATOM 0 HA PRO A 13 10.626 -13.983 -28.750 1.00 13.35 H new ATOM 0 HB2 PRO A 13 11.195 -15.694 -30.863 1.00 41.53 H new ATOM 0 HB3 PRO A 13 9.652 -14.868 -30.770 1.00 41.53 H new ATOM 0 HG2 PRO A 13 12.094 -14.140 -32.377 1.00 34.43 H new ATOM 0 HG3 PRO A 13 10.410 -14.112 -32.862 1.00 34.43 H new ATOM 0 HD2 PRO A 13 11.720 -11.841 -32.127 1.00 52.12 H new ATOM 0 HD3 PRO A 13 10.006 -12.046 -31.827 1.00 52.12 H new ATOM 193 N LYS A 14 13.518 -13.408 -28.973 1.00 24.24 N ATOM 194 CA LYS A 14 14.881 -13.726 -28.564 1.00 4.24 C ATOM 195 C LYS A 14 15.244 -13.003 -27.270 1.00 73.11 C ATOM 196 O LYS A 14 16.420 -12.824 -26.956 1.00 34.51 O ATOM 197 CB LYS A 14 15.869 -13.343 -29.668 1.00 25.41 C ATOM 198 CG LYS A 14 15.954 -11.848 -29.917 1.00 54.55 C ATOM 199 CD LYS A 14 16.792 -11.533 -31.145 1.00 61.31 C ATOM 200 CE LYS A 14 18.153 -10.973 -30.762 1.00 2.01 C ATOM 201 NZ LYS A 14 18.957 -10.601 -31.959 1.00 70.22 N ATOM 0 H LYS A 14 13.320 -12.410 -29.040 1.00 24.24 H new ATOM 0 HA LYS A 14 14.939 -14.800 -28.388 1.00 4.24 H new ATOM 0 HB2 LYS A 14 16.859 -13.715 -29.403 1.00 25.41 H new ATOM 0 HB3 LYS A 14 15.578 -13.841 -30.593 1.00 25.41 H new ATOM 0 HG2 LYS A 14 14.951 -11.442 -30.047 1.00 54.55 H new ATOM 0 HG3 LYS A 14 16.386 -11.357 -29.045 1.00 54.55 H new ATOM 0 HD2 LYS A 14 16.924 -12.438 -31.739 1.00 61.31 H new ATOM 0 HD3 LYS A 14 16.265 -10.814 -31.772 1.00 61.31 H new ATOM 0 HE2 LYS A 14 18.020 -10.097 -30.128 1.00 2.01 H new ATOM 0 HE3 LYS A 14 18.697 -11.712 -30.174 1.00 2.01 H new ATOM 0 HZ1 LYS A 14 19.877 -10.224 -31.655 1.00 70.22 H new ATOM 0 HZ2 LYS A 14 19.106 -11.442 -32.552 1.00 70.22 H new ATOM 0 HZ3 LYS A 14 18.450 -9.877 -32.507 1.00 70.22 H new ATOM 215 N GLY A 15 14.225 -12.590 -26.522 1.00 75.34 N ATOM 216 CA GLY A 15 14.457 -11.893 -25.271 1.00 61.21 C ATOM 217 C GLY A 15 13.279 -11.032 -24.859 1.00 63.35 C ATOM 218 O GLY A 15 12.244 -11.023 -25.527 1.00 30.22 O ATOM 0 H GLY A 15 13.243 -12.726 -26.761 1.00 75.34 H new ATOM 0 HA2 GLY A 15 14.663 -12.621 -24.486 1.00 61.21 H new ATOM 0 HA3 GLY A 15 15.344 -11.267 -25.367 1.00 61.21 H new ATOM 222 N LEU A 16 13.435 -10.308 -23.757 1.00 0.20 N ATOM 223 CA LEU A 16 12.375 -9.440 -23.256 1.00 31.14 C ATOM 224 C LEU A 16 12.957 -8.254 -22.493 1.00 32.33 C ATOM 225 O LEU A 16 14.124 -8.268 -22.100 1.00 74.24 O ATOM 226 CB LEU A 16 11.429 -10.230 -22.349 1.00 53.52 C ATOM 227 CG LEU A 16 10.158 -9.502 -21.909 1.00 52.23 C ATOM 228 CD1 LEU A 16 9.415 -8.948 -23.115 1.00 71.33 C ATOM 229 CD2 LEU A 16 9.260 -10.434 -21.109 1.00 13.42 C ATOM 0 H LEU A 16 14.285 -10.304 -23.193 1.00 0.20 H new ATOM 0 HA LEU A 16 11.816 -9.059 -24.111 1.00 31.14 H new ATOM 0 HB2 LEU A 16 11.139 -11.144 -22.868 1.00 53.52 H new ATOM 0 HB3 LEU A 16 11.979 -10.530 -21.457 1.00 53.52 H new ATOM 0 HG LEU A 16 10.444 -8.667 -21.269 1.00 52.23 H new ATOM 0 HD11 LEU A 16 8.514 -8.434 -22.782 1.00 71.33 H new ATOM 0 HD12 LEU A 16 10.057 -8.247 -23.647 1.00 71.33 H new ATOM 0 HD13 LEU A 16 9.141 -9.766 -23.781 1.00 71.33 H new ATOM 0 HD21 LEU A 16 8.360 -9.899 -20.804 1.00 13.42 H new ATOM 0 HD22 LEU A 16 8.983 -11.289 -21.725 1.00 13.42 H new ATOM 0 HD23 LEU A 16 9.793 -10.782 -20.224 1.00 13.42 H new ATOM 241 N ARG A 17 12.135 -7.231 -22.284 1.00 42.33 N ATOM 242 CA ARG A 17 12.568 -6.037 -21.567 1.00 61.43 C ATOM 243 C ARG A 17 11.619 -5.721 -20.415 1.00 52.13 C ATOM 244 O ARG A 17 10.399 -5.803 -20.561 1.00 62.25 O ATOM 245 CB ARG A 17 12.646 -4.844 -22.521 1.00 12.42 C ATOM 246 CG ARG A 17 13.074 -3.551 -21.845 1.00 71.21 C ATOM 247 CD ARG A 17 13.197 -2.413 -22.846 1.00 75.23 C ATOM 248 NE ARG A 17 13.585 -1.160 -22.205 1.00 42.24 N ATOM 249 CZ ARG A 17 14.058 -0.111 -22.869 1.00 54.41 C ATOM 250 NH1 ARG A 17 14.199 -0.164 -24.186 1.00 55.14 N ATOM 251 NH2 ARG A 17 14.390 0.995 -22.215 1.00 54.21 N ATOM 0 H ARG A 17 11.166 -7.205 -22.601 1.00 42.33 H new ATOM 0 HA ARG A 17 13.559 -6.229 -21.156 1.00 61.43 H new ATOM 0 HB2 ARG A 17 13.348 -5.075 -23.322 1.00 12.42 H new ATOM 0 HB3 ARG A 17 11.671 -4.696 -22.985 1.00 12.42 H new ATOM 0 HG2 ARG A 17 12.349 -3.284 -21.076 1.00 71.21 H new ATOM 0 HG3 ARG A 17 14.030 -3.701 -21.343 1.00 71.21 H new ATOM 0 HD2 ARG A 17 13.934 -2.676 -23.605 1.00 75.23 H new ATOM 0 HD3 ARG A 17 12.245 -2.278 -23.360 1.00 75.23 H new ATOM 0 HE ARG A 17 13.488 -1.086 -21.192 1.00 42.24 H new ATOM 0 HH11 ARG A 17 13.944 -1.012 -24.692 1.00 55.14 H new ATOM 0 HH12 ARG A 17 14.562 0.643 -24.693 1.00 55.14 H new ATOM 0 HH21 ARG A 17 14.282 1.040 -21.202 1.00 54.21 H new ATOM 0 HH22 ARG A 17 14.753 1.800 -22.726 1.00 54.21 H new ATOM 265 N VAL A 18 12.187 -5.359 -19.269 1.00 70.13 N ATOM 266 CA VAL A 18 11.392 -5.030 -18.092 1.00 50.24 C ATOM 267 C VAL A 18 12.084 -3.971 -17.241 1.00 34.23 C ATOM 268 O VAL A 18 13.018 -4.271 -16.497 1.00 50.15 O ATOM 269 CB VAL A 18 11.127 -6.276 -17.227 1.00 70.33 C ATOM 270 CG1 VAL A 18 10.435 -5.888 -15.929 1.00 60.44 C ATOM 271 CG2 VAL A 18 10.300 -7.294 -17.999 1.00 11.43 C ATOM 0 H VAL A 18 13.195 -5.286 -19.131 1.00 70.13 H new ATOM 0 HA VAL A 18 10.440 -4.639 -18.452 1.00 50.24 H new ATOM 0 HB VAL A 18 12.084 -6.734 -16.977 1.00 70.33 H new ATOM 0 HG11 VAL A 18 10.256 -6.782 -15.331 1.00 60.44 H new ATOM 0 HG12 VAL A 18 11.069 -5.199 -15.371 1.00 60.44 H new ATOM 0 HG13 VAL A 18 9.484 -5.405 -16.154 1.00 60.44 H new ATOM 0 HG21 VAL A 18 10.122 -8.168 -17.373 1.00 11.43 H new ATOM 0 HG22 VAL A 18 9.346 -6.849 -18.281 1.00 11.43 H new ATOM 0 HG23 VAL A 18 10.839 -7.595 -18.897 1.00 11.43 H new ATOM 281 N SER A 19 11.618 -2.731 -17.354 1.00 33.54 N ATOM 282 CA SER A 19 12.193 -1.626 -16.596 1.00 65.52 C ATOM 283 C SER A 19 11.185 -1.069 -15.597 1.00 33.15 C ATOM 284 O SER A 19 9.975 -1.227 -15.764 1.00 3.20 O ATOM 285 CB SER A 19 12.656 -0.518 -17.543 1.00 41.42 C ATOM 286 OG SER A 19 12.998 0.656 -16.826 1.00 73.11 O ATOM 0 H SER A 19 10.844 -2.467 -17.963 1.00 33.54 H new ATOM 0 HA SER A 19 13.053 -2.005 -16.043 1.00 65.52 H new ATOM 0 HB2 SER A 19 13.517 -0.862 -18.116 1.00 41.42 H new ATOM 0 HB3 SER A 19 11.865 -0.293 -18.259 1.00 41.42 H new ATOM 0 HG SER A 19 12.828 1.442 -17.386 1.00 73.11 H new ATOM 292 N VAL A 20 11.692 -0.416 -14.555 1.00 75.24 N ATOM 293 CA VAL A 20 10.836 0.166 -13.528 1.00 43.22 C ATOM 294 C VAL A 20 11.371 1.519 -13.070 1.00 74.42 C ATOM 295 O VAL A 20 12.572 1.785 -13.110 1.00 52.43 O ATOM 296 CB VAL A 20 10.712 -0.765 -12.307 1.00 41.43 C ATOM 297 CG1 VAL A 20 10.221 -2.140 -12.732 1.00 71.10 C ATOM 298 CG2 VAL A 20 12.043 -0.867 -11.578 1.00 2.50 C ATOM 0 H VAL A 20 12.691 -0.277 -14.400 1.00 75.24 H new ATOM 0 HA VAL A 20 9.851 0.300 -13.975 1.00 43.22 H new ATOM 0 HB VAL A 20 9.979 -0.340 -11.621 1.00 41.43 H new ATOM 0 HG11 VAL A 20 10.140 -2.784 -11.856 1.00 71.10 H new ATOM 0 HG12 VAL A 20 9.244 -2.047 -13.206 1.00 71.10 H new ATOM 0 HG13 VAL A 20 10.927 -2.576 -13.439 1.00 71.10 H new ATOM 0 HG21 VAL A 20 11.937 -1.529 -10.718 1.00 2.50 H new ATOM 0 HG22 VAL A 20 12.798 -1.268 -12.254 1.00 2.50 H new ATOM 0 HG23 VAL A 20 12.349 0.123 -11.239 1.00 2.50 H new ATOM 308 N PRO A 21 10.458 2.394 -12.623 1.00 44.52 N ATOM 309 CA PRO A 21 10.814 3.735 -12.147 1.00 64.44 C ATOM 310 C PRO A 21 11.571 3.698 -10.824 1.00 61.11 C ATOM 311 O PRO A 21 11.085 3.150 -9.835 1.00 73.50 O ATOM 312 CB PRO A 21 9.457 4.420 -11.969 1.00 22.45 C ATOM 313 CG PRO A 21 8.497 3.304 -11.739 1.00 61.20 C ATOM 314 CD PRO A 21 9.009 2.144 -12.547 1.00 63.13 C ATOM 0 HA PRO A 21 11.479 4.251 -12.840 1.00 64.44 H new ATOM 0 HB2 PRO A 21 9.470 5.111 -11.126 1.00 22.45 H new ATOM 0 HB3 PRO A 21 9.187 4.999 -12.852 1.00 22.45 H new ATOM 0 HG2 PRO A 21 8.442 3.048 -10.681 1.00 61.20 H new ATOM 0 HG3 PRO A 21 7.491 3.584 -12.052 1.00 61.20 H new ATOM 0 HD2 PRO A 21 8.790 1.191 -12.065 1.00 63.13 H new ATOM 0 HD3 PRO A 21 8.554 2.112 -13.537 1.00 63.13 H new ATOM 322 N ASP A 22 12.763 4.285 -10.813 1.00 53.00 N ATOM 323 CA ASP A 22 13.586 4.321 -9.610 1.00 63.21 C ATOM 324 C ASP A 22 13.117 5.421 -8.663 1.00 21.32 C ATOM 325 O ASP A 22 12.875 6.552 -9.082 1.00 64.01 O ATOM 326 CB ASP A 22 15.055 4.539 -9.978 1.00 13.42 C ATOM 327 CG ASP A 22 15.893 4.960 -8.787 1.00 24.10 C ATOM 328 OD1 ASP A 22 15.795 4.302 -7.730 1.00 13.55 O ATOM 329 OD2 ASP A 22 16.649 5.946 -8.913 1.00 20.14 O ATOM 0 H ASP A 22 13.181 4.742 -11.624 1.00 53.00 H new ATOM 0 HA ASP A 22 13.485 3.362 -9.102 1.00 63.21 H new ATOM 0 HB2 ASP A 22 15.462 3.619 -10.398 1.00 13.42 H new ATOM 0 HB3 ASP A 22 15.123 5.301 -10.754 1.00 13.42 H new ATOM 334 N GLU A 23 12.990 5.079 -7.384 1.00 52.23 N ATOM 335 CA GLU A 23 12.547 6.038 -6.379 1.00 5.03 C ATOM 336 C GLU A 23 13.566 6.149 -5.248 1.00 10.22 C ATOM 337 O GLU A 23 13.281 6.718 -4.195 1.00 20.23 O ATOM 338 CB GLU A 23 11.186 5.628 -5.815 1.00 34.42 C ATOM 339 CG GLU A 23 10.109 5.474 -6.876 1.00 32.23 C ATOM 340 CD GLU A 23 9.283 6.733 -7.055 1.00 73.32 C ATOM 341 OE1 GLU A 23 8.778 7.261 -6.043 1.00 34.12 O ATOM 342 OE2 GLU A 23 9.142 7.190 -8.209 1.00 72.50 O ATOM 0 H GLU A 23 13.187 4.147 -7.020 1.00 52.23 H new ATOM 0 HA GLU A 23 12.454 7.012 -6.859 1.00 5.03 H new ATOM 0 HB2 GLU A 23 11.293 4.685 -5.279 1.00 34.42 H new ATOM 0 HB3 GLU A 23 10.864 6.373 -5.088 1.00 34.42 H new ATOM 0 HG2 GLU A 23 10.575 5.211 -7.826 1.00 32.23 H new ATOM 0 HG3 GLU A 23 9.452 4.648 -6.604 1.00 32.23 H new ATOM 349 N GLY A 24 14.756 5.600 -5.474 1.00 53.45 N ATOM 350 CA GLY A 24 15.799 5.648 -4.466 1.00 74.44 C ATOM 351 C GLY A 24 16.293 4.268 -4.079 1.00 0.13 C ATOM 352 O GLY A 24 17.112 4.127 -3.170 1.00 71.22 O ATOM 0 H GLY A 24 15.016 5.123 -6.337 1.00 53.45 H new ATOM 0 HA2 GLY A 24 16.635 6.238 -4.840 1.00 74.44 H new ATOM 0 HA3 GLY A 24 15.421 6.157 -3.580 1.00 74.44 H new ATOM 356 N PHE A 25 15.794 3.247 -4.768 1.00 11.24 N ATOM 357 CA PHE A 25 16.188 1.871 -4.489 1.00 10.24 C ATOM 358 C PHE A 25 17.705 1.718 -4.544 1.00 62.01 C ATOM 359 O PHE A 25 18.406 2.571 -5.088 1.00 65.11 O ATOM 360 CB PHE A 25 15.531 0.917 -5.488 1.00 51.44 C ATOM 361 CG PHE A 25 14.037 1.054 -5.554 1.00 54.33 C ATOM 362 CD1 PHE A 25 13.233 0.497 -4.573 1.00 13.22 C ATOM 363 CD2 PHE A 25 13.436 1.740 -6.597 1.00 51.54 C ATOM 364 CE1 PHE A 25 11.857 0.621 -4.632 1.00 5.13 C ATOM 365 CE2 PHE A 25 12.061 1.868 -6.661 1.00 50.03 C ATOM 366 CZ PHE A 25 11.271 1.308 -5.676 1.00 50.34 C ATOM 0 H PHE A 25 15.116 3.347 -5.524 1.00 11.24 H new ATOM 0 HA PHE A 25 15.851 1.620 -3.483 1.00 10.24 H new ATOM 0 HB2 PHE A 25 15.948 1.097 -6.479 1.00 51.44 H new ATOM 0 HB3 PHE A 25 15.782 -0.109 -5.218 1.00 51.44 H new ATOM 0 HD1 PHE A 25 13.686 -0.040 -3.753 1.00 13.22 H new ATOM 0 HD2 PHE A 25 14.049 2.180 -7.369 1.00 51.54 H new ATOM 0 HE1 PHE A 25 11.241 0.181 -3.862 1.00 5.13 H new ATOM 0 HE2 PHE A 25 11.605 2.405 -7.480 1.00 50.03 H new ATOM 0 HZ PHE A 25 10.197 1.408 -5.723 1.00 50.34 H new ATOM 376 N SER A 26 18.205 0.625 -3.976 1.00 73.25 N ATOM 377 CA SER A 26 19.639 0.361 -3.957 1.00 33.12 C ATOM 378 C SER A 26 19.938 -1.053 -4.447 1.00 13.33 C ATOM 379 O SER A 26 21.096 -1.424 -4.639 1.00 4.11 O ATOM 380 CB SER A 26 20.194 0.552 -2.544 1.00 65.52 C ATOM 381 OG SER A 26 21.591 0.316 -2.510 1.00 5.42 O ATOM 0 H SER A 26 17.638 -0.092 -3.523 1.00 73.25 H new ATOM 0 HA SER A 26 20.124 1.069 -4.629 1.00 33.12 H new ATOM 0 HB2 SER A 26 19.984 1.565 -2.201 1.00 65.52 H new ATOM 0 HB3 SER A 26 19.690 -0.128 -1.857 1.00 65.52 H new ATOM 0 HG SER A 26 21.828 -0.343 -3.195 1.00 5.42 H new ATOM 387 N LEU A 27 18.885 -1.838 -4.647 1.00 13.42 N ATOM 388 CA LEU A 27 19.032 -3.211 -5.115 1.00 25.55 C ATOM 389 C LEU A 27 17.751 -3.700 -5.783 1.00 43.21 C ATOM 390 O LEU A 27 16.648 -3.359 -5.357 1.00 54.02 O ATOM 391 CB LEU A 27 19.395 -4.132 -3.948 1.00 3.00 C ATOM 392 CG LEU A 27 18.981 -5.597 -4.095 1.00 2.43 C ATOM 393 CD1 LEU A 27 17.469 -5.735 -4.012 1.00 10.44 C ATOM 394 CD2 LEU A 27 19.500 -6.169 -5.406 1.00 54.41 C ATOM 0 H LEU A 27 17.920 -1.547 -4.492 1.00 13.42 H new ATOM 0 HA LEU A 27 19.835 -3.233 -5.852 1.00 25.55 H new ATOM 0 HB2 LEU A 27 20.475 -4.093 -3.803 1.00 3.00 H new ATOM 0 HB3 LEU A 27 18.937 -3.735 -3.042 1.00 3.00 H new ATOM 0 HG LEU A 27 19.422 -6.164 -3.275 1.00 2.43 H new ATOM 0 HD11 LEU A 27 17.193 -6.784 -4.119 1.00 10.44 H new ATOM 0 HD12 LEU A 27 17.122 -5.365 -3.047 1.00 10.44 H new ATOM 0 HD13 LEU A 27 17.006 -5.155 -4.811 1.00 10.44 H new ATOM 0 HD21 LEU A 27 19.196 -7.212 -5.494 1.00 54.41 H new ATOM 0 HD22 LEU A 27 19.088 -5.600 -6.240 1.00 54.41 H new ATOM 0 HD23 LEU A 27 20.588 -6.105 -5.425 1.00 54.41 H new ATOM 406 N PHE A 28 17.906 -4.502 -6.831 1.00 53.34 N ATOM 407 CA PHE A 28 16.761 -5.039 -7.558 1.00 43.54 C ATOM 408 C PHE A 28 16.995 -6.497 -7.941 1.00 24.00 C ATOM 409 O PHE A 28 18.114 -6.892 -8.267 1.00 22.40 O ATOM 410 CB PHE A 28 16.492 -4.207 -8.814 1.00 43.04 C ATOM 411 CG PHE A 28 15.059 -3.781 -8.956 1.00 31.13 C ATOM 412 CD1 PHE A 28 14.044 -4.723 -8.998 1.00 54.05 C ATOM 413 CD2 PHE A 28 14.727 -2.439 -9.045 1.00 52.11 C ATOM 414 CE1 PHE A 28 12.724 -4.334 -9.129 1.00 51.42 C ATOM 415 CE2 PHE A 28 13.409 -2.044 -9.176 1.00 13.54 C ATOM 416 CZ PHE A 28 12.406 -2.992 -9.217 1.00 30.33 C ATOM 0 H PHE A 28 18.812 -4.794 -7.196 1.00 53.34 H new ATOM 0 HA PHE A 28 15.891 -4.989 -6.904 1.00 43.54 H new ATOM 0 HB2 PHE A 28 17.126 -3.321 -8.795 1.00 43.04 H new ATOM 0 HB3 PHE A 28 16.779 -4.786 -9.692 1.00 43.04 H new ATOM 0 HD1 PHE A 28 14.287 -5.773 -8.928 1.00 54.05 H new ATOM 0 HD2 PHE A 28 15.507 -1.693 -9.012 1.00 52.11 H new ATOM 0 HE1 PHE A 28 11.942 -5.078 -9.163 1.00 51.42 H new ATOM 0 HE2 PHE A 28 13.164 -0.995 -9.246 1.00 13.54 H new ATOM 0 HZ PHE A 28 11.375 -2.685 -9.318 1.00 30.33 H new ATOM 426 N ALA A 29 15.931 -7.292 -7.898 1.00 2.02 N ATOM 427 CA ALA A 29 16.019 -8.706 -8.241 1.00 4.12 C ATOM 428 C ALA A 29 14.867 -9.124 -9.148 1.00 44.54 C ATOM 429 O ALA A 29 13.698 -8.960 -8.799 1.00 61.12 O ATOM 430 CB ALA A 29 16.034 -9.555 -6.979 1.00 22.34 C ATOM 0 H ALA A 29 14.998 -6.981 -7.629 1.00 2.02 H new ATOM 0 HA ALA A 29 16.951 -8.865 -8.784 1.00 4.12 H new ATOM 0 HB1 ALA A 29 16.100 -10.609 -7.250 1.00 22.34 H new ATOM 0 HB2 ALA A 29 16.895 -9.283 -6.368 1.00 22.34 H new ATOM 0 HB3 ALA A 29 15.118 -9.383 -6.414 1.00 22.34 H new ATOM 436 N PHE A 30 15.205 -9.663 -10.315 1.00 51.42 N ATOM 437 CA PHE A 30 14.198 -10.102 -11.274 1.00 60.21 C ATOM 438 C PHE A 30 14.169 -11.625 -11.373 1.00 12.34 C ATOM 439 O PHE A 30 15.129 -12.247 -11.827 1.00 25.35 O ATOM 440 CB PHE A 30 14.476 -9.496 -12.651 1.00 74.02 C ATOM 441 CG PHE A 30 14.196 -8.022 -12.725 1.00 23.13 C ATOM 442 CD1 PHE A 30 14.747 -7.152 -11.798 1.00 31.03 C ATOM 443 CD2 PHE A 30 13.382 -7.507 -13.721 1.00 4.33 C ATOM 444 CE1 PHE A 30 14.492 -5.795 -11.863 1.00 22.03 C ATOM 445 CE2 PHE A 30 13.124 -6.151 -13.791 1.00 5.30 C ATOM 446 CZ PHE A 30 13.679 -5.294 -12.860 1.00 50.01 C ATOM 0 H PHE A 30 16.168 -9.806 -10.619 1.00 51.42 H new ATOM 0 HA PHE A 30 13.225 -9.759 -10.923 1.00 60.21 H new ATOM 0 HB2 PHE A 30 15.519 -9.673 -12.913 1.00 74.02 H new ATOM 0 HB3 PHE A 30 13.868 -10.011 -13.395 1.00 74.02 H new ATOM 0 HD1 PHE A 30 15.383 -7.539 -11.016 1.00 31.03 H new ATOM 0 HD2 PHE A 30 12.944 -8.172 -14.451 1.00 4.33 H new ATOM 0 HE1 PHE A 30 14.928 -5.127 -11.135 1.00 22.03 H new ATOM 0 HE2 PHE A 30 12.489 -5.761 -14.573 1.00 5.30 H new ATOM 0 HZ PHE A 30 13.477 -4.234 -12.912 1.00 50.01 H new ATOM 456 N HIS A 31 13.060 -12.218 -10.943 1.00 74.33 N ATOM 457 CA HIS A 31 12.904 -13.668 -10.983 1.00 21.12 C ATOM 458 C HIS A 31 11.474 -14.051 -11.351 1.00 31.32 C ATOM 459 O HIS A 31 10.597 -14.115 -10.490 1.00 71.34 O ATOM 460 CB HIS A 31 13.277 -14.279 -9.632 1.00 35.04 C ATOM 461 CG HIS A 31 14.496 -15.146 -9.682 1.00 65.53 C ATOM 462 ND1 HIS A 31 14.474 -16.451 -10.129 1.00 4.14 N ATOM 463 CD2 HIS A 31 15.781 -14.889 -9.341 1.00 13.11 C ATOM 464 CE1 HIS A 31 15.692 -16.959 -10.058 1.00 12.20 C ATOM 465 NE2 HIS A 31 16.503 -16.031 -9.584 1.00 24.05 N ATOM 0 H HIS A 31 12.257 -11.717 -10.563 1.00 74.33 H new ATOM 0 HA HIS A 31 13.574 -14.060 -11.748 1.00 21.12 H new ATOM 0 HB2 HIS A 31 13.441 -13.477 -8.913 1.00 35.04 H new ATOM 0 HB3 HIS A 31 12.437 -14.869 -9.265 1.00 35.04 H new ATOM 0 HD1 HIS A 31 13.647 -16.946 -10.462 1.00 4.14 H new ATOM 0 HD2 HIS A 31 16.166 -13.959 -8.951 1.00 13.11 H new ATOM 0 HE1 HIS A 31 15.976 -17.962 -10.340 1.00 12.20 H new ATOM 473 N GLY A 32 11.246 -14.305 -12.636 1.00 40.51 N ATOM 474 CA GLY A 32 9.921 -14.677 -13.095 1.00 73.12 C ATOM 475 C GLY A 32 9.962 -15.656 -14.252 1.00 13.21 C ATOM 476 O GLY A 32 11.036 -16.072 -14.686 1.00 22.15 O ATOM 0 H GLY A 32 11.956 -14.260 -13.367 1.00 40.51 H new ATOM 0 HA2 GLY A 32 9.364 -15.119 -12.269 1.00 73.12 H new ATOM 0 HA3 GLY A 32 9.381 -13.781 -13.400 1.00 73.12 H new ATOM 480 N LYS A 33 8.788 -16.026 -14.753 1.00 62.41 N ATOM 481 CA LYS A 33 8.693 -16.963 -15.867 1.00 14.15 C ATOM 482 C LYS A 33 7.706 -16.462 -16.916 1.00 15.21 C ATOM 483 O LYS A 33 7.272 -15.309 -16.875 1.00 62.41 O ATOM 484 CB LYS A 33 8.262 -18.343 -15.364 1.00 10.33 C ATOM 485 CG LYS A 33 8.913 -18.742 -14.051 1.00 22.20 C ATOM 486 CD LYS A 33 7.912 -19.382 -13.104 1.00 1.02 C ATOM 487 CE LYS A 33 7.479 -20.755 -13.595 1.00 0.13 C ATOM 488 NZ LYS A 33 8.300 -21.843 -12.995 1.00 44.22 N ATOM 0 H LYS A 33 7.889 -15.692 -14.405 1.00 62.41 H new ATOM 0 HA LYS A 33 9.678 -17.042 -16.328 1.00 14.15 H new ATOM 0 HB2 LYS A 33 7.179 -18.354 -15.241 1.00 10.33 H new ATOM 0 HB3 LYS A 33 8.504 -19.089 -16.121 1.00 10.33 H new ATOM 0 HG2 LYS A 33 9.728 -19.439 -14.245 1.00 22.20 H new ATOM 0 HG3 LYS A 33 9.351 -17.863 -13.579 1.00 22.20 H new ATOM 0 HD2 LYS A 33 8.354 -19.472 -12.112 1.00 1.02 H new ATOM 0 HD3 LYS A 33 7.039 -18.737 -13.006 1.00 1.02 H new ATOM 0 HE2 LYS A 33 6.429 -20.914 -13.349 1.00 0.13 H new ATOM 0 HE3 LYS A 33 7.561 -20.795 -14.681 1.00 0.13 H new ATOM 0 HZ1 LYS A 33 7.974 -22.763 -13.355 1.00 44.22 H new ATOM 0 HZ2 LYS A 33 9.299 -21.706 -13.251 1.00 44.22 H new ATOM 0 HZ3 LYS A 33 8.202 -21.821 -11.960 1.00 44.22 H new ATOM 502 N LEU A 34 7.353 -17.334 -17.854 1.00 12.22 N ATOM 503 CA LEU A 34 6.415 -16.980 -18.914 1.00 32.14 C ATOM 504 C LEU A 34 5.380 -18.083 -19.116 1.00 2.45 C ATOM 505 O LEU A 34 5.678 -19.264 -18.949 1.00 31.51 O ATOM 506 CB LEU A 34 7.166 -16.724 -20.221 1.00 55.35 C ATOM 507 CG LEU A 34 6.304 -16.616 -21.480 1.00 12.30 C ATOM 508 CD1 LEU A 34 5.879 -15.174 -21.714 1.00 33.42 C ATOM 509 CD2 LEU A 34 7.055 -17.155 -22.689 1.00 10.14 C ATOM 0 H LEU A 34 7.702 -18.291 -17.902 1.00 12.22 H new ATOM 0 HA LEU A 34 5.895 -16.069 -18.617 1.00 32.14 H new ATOM 0 HB2 LEU A 34 7.736 -15.801 -20.115 1.00 55.35 H new ATOM 0 HB3 LEU A 34 7.887 -17.529 -20.366 1.00 55.35 H new ATOM 0 HG LEU A 34 5.407 -17.219 -21.336 1.00 12.30 H new ATOM 0 HD11 LEU A 34 5.267 -15.117 -22.614 1.00 33.42 H new ATOM 0 HD12 LEU A 34 5.302 -14.822 -20.859 1.00 33.42 H new ATOM 0 HD13 LEU A 34 6.764 -14.549 -21.837 1.00 33.42 H new ATOM 0 HD21 LEU A 34 6.426 -17.070 -23.575 1.00 10.14 H new ATOM 0 HD22 LEU A 34 7.969 -16.579 -22.836 1.00 10.14 H new ATOM 0 HD23 LEU A 34 7.308 -18.202 -22.523 1.00 10.14 H new ATOM 521 N ASN A 35 4.164 -17.687 -19.478 1.00 2.35 N ATOM 522 CA ASN A 35 3.085 -18.642 -19.704 1.00 44.32 C ATOM 523 C ASN A 35 3.076 -19.718 -18.623 1.00 61.43 C ATOM 524 O ASN A 35 2.636 -20.843 -18.858 1.00 74.13 O ATOM 525 CB ASN A 35 3.230 -19.289 -21.083 1.00 44.31 C ATOM 526 CG ASN A 35 3.519 -18.273 -22.171 1.00 43.50 C ATOM 527 OD1 ASN A 35 3.211 -17.010 -21.898 1.00 11.11 O flip ATOM 528 ND2 ASN A 35 4.014 -18.619 -23.244 1.00 42.01 N flip ATOM 0 H ASN A 35 3.901 -16.712 -19.621 1.00 2.35 H new ATOM 0 HA ASN A 35 2.139 -18.102 -19.661 1.00 44.32 H new ATOM 0 HB2 ASN A 35 4.034 -20.024 -21.054 1.00 44.31 H new ATOM 0 HB3 ASN A 35 2.314 -19.828 -21.327 1.00 44.31 H new ATOM 0 HD21 ASN A 35 4.235 -19.601 -23.411 1.00 42.01 H new ATOM 0 HD22 ASN A 35 4.203 -17.924 -23.966 1.00 42.01 H new ATOM 535 N GLU A 36 3.565 -19.364 -17.439 1.00 33.43 N ATOM 536 CA GLU A 36 3.612 -20.301 -16.322 1.00 45.01 C ATOM 537 C GLU A 36 3.724 -19.558 -14.994 1.00 32.44 C ATOM 538 O GLU A 36 4.568 -18.678 -14.833 1.00 13.53 O ATOM 539 CB GLU A 36 4.793 -21.261 -16.483 1.00 20.02 C ATOM 540 CG GLU A 36 4.881 -22.307 -15.384 1.00 3.42 C ATOM 541 CD GLU A 36 4.234 -23.621 -15.775 1.00 54.43 C ATOM 542 OE1 GLU A 36 4.588 -24.161 -16.844 1.00 50.43 O ATOM 543 OE2 GLU A 36 3.373 -24.109 -15.014 1.00 12.53 O ATOM 0 H GLU A 36 3.934 -18.437 -17.228 1.00 33.43 H new ATOM 0 HA GLU A 36 2.685 -20.874 -16.321 1.00 45.01 H new ATOM 0 HB2 GLU A 36 4.713 -21.764 -17.446 1.00 20.02 H new ATOM 0 HB3 GLU A 36 5.719 -20.685 -16.500 1.00 20.02 H new ATOM 0 HG2 GLU A 36 5.928 -22.482 -15.137 1.00 3.42 H new ATOM 0 HG3 GLU A 36 4.401 -21.924 -14.484 1.00 3.42 H new ATOM 550 N GLU A 37 2.865 -19.921 -14.046 1.00 22.23 N ATOM 551 CA GLU A 37 2.866 -19.288 -12.732 1.00 25.40 C ATOM 552 C GLU A 37 3.652 -20.124 -11.726 1.00 64.51 C ATOM 553 O GLU A 37 3.629 -21.354 -11.773 1.00 3.03 O ATOM 554 CB GLU A 37 1.433 -19.089 -12.236 1.00 53.22 C ATOM 555 CG GLU A 37 0.685 -20.390 -11.996 1.00 3.44 C ATOM 556 CD GLU A 37 -0.282 -20.300 -10.831 1.00 41.11 C ATOM 557 OE1 GLU A 37 -0.888 -19.224 -10.644 1.00 22.32 O ATOM 558 OE2 GLU A 37 -0.433 -21.306 -10.107 1.00 62.42 O ATOM 0 H GLU A 37 2.160 -20.649 -14.163 1.00 22.23 H new ATOM 0 HA GLU A 37 3.349 -18.315 -12.826 1.00 25.40 H new ATOM 0 HB2 GLU A 37 1.455 -18.516 -11.309 1.00 53.22 H new ATOM 0 HB3 GLU A 37 0.884 -18.494 -12.966 1.00 53.22 H new ATOM 0 HG2 GLU A 37 0.137 -20.662 -12.898 1.00 3.44 H new ATOM 0 HG3 GLU A 37 1.403 -21.188 -11.807 1.00 3.44 H new ATOM 565 N MET A 38 4.348 -19.448 -10.818 1.00 14.51 N ATOM 566 CA MET A 38 5.140 -20.128 -9.800 1.00 43.52 C ATOM 567 C MET A 38 4.341 -20.298 -8.512 1.00 50.42 C ATOM 568 O MET A 38 3.156 -19.970 -8.459 1.00 42.52 O ATOM 569 CB MET A 38 6.425 -19.346 -9.518 1.00 30.35 C ATOM 570 CG MET A 38 6.223 -17.840 -9.474 1.00 63.34 C ATOM 571 SD MET A 38 7.634 -16.971 -8.763 1.00 15.32 S ATOM 572 CE MET A 38 8.656 -16.739 -10.215 1.00 2.11 C ATOM 0 H MET A 38 4.380 -18.430 -10.766 1.00 14.51 H new ATOM 0 HA MET A 38 5.400 -21.117 -10.178 1.00 43.52 H new ATOM 0 HB2 MET A 38 6.840 -19.677 -8.566 1.00 30.35 H new ATOM 0 HB3 MET A 38 7.161 -19.583 -10.286 1.00 30.35 H new ATOM 0 HG2 MET A 38 6.046 -17.471 -10.484 1.00 63.34 H new ATOM 0 HG3 MET A 38 5.330 -17.614 -8.891 1.00 63.34 H new ATOM 0 HE1 MET A 38 9.577 -16.229 -9.934 1.00 2.11 H new ATOM 0 HE2 MET A 38 8.896 -17.709 -10.650 1.00 2.11 H new ATOM 0 HE3 MET A 38 8.117 -16.137 -10.947 1.00 2.11 H new ATOM 582 N GLU A 39 4.997 -20.812 -7.477 1.00 63.30 N ATOM 583 CA GLU A 39 4.346 -21.026 -6.190 1.00 73.32 C ATOM 584 C GLU A 39 4.655 -19.884 -5.227 1.00 53.42 C ATOM 585 O GLU A 39 5.816 -19.548 -4.997 1.00 33.21 O ATOM 586 CB GLU A 39 4.794 -22.356 -5.581 1.00 63.53 C ATOM 587 CG GLU A 39 3.712 -23.051 -4.771 1.00 43.24 C ATOM 588 CD GLU A 39 4.273 -23.835 -3.601 1.00 15.24 C ATOM 589 OE1 GLU A 39 4.593 -23.211 -2.567 1.00 73.41 O ATOM 590 OE2 GLU A 39 4.390 -25.073 -3.718 1.00 44.43 O ATOM 0 H GLU A 39 5.979 -21.088 -7.504 1.00 63.30 H new ATOM 0 HA GLU A 39 3.269 -21.056 -6.358 1.00 73.32 H new ATOM 0 HB2 GLU A 39 5.120 -23.021 -6.381 1.00 63.53 H new ATOM 0 HB3 GLU A 39 5.658 -22.180 -4.941 1.00 63.53 H new ATOM 0 HG2 GLU A 39 3.006 -22.307 -4.400 1.00 43.24 H new ATOM 0 HG3 GLU A 39 3.153 -23.725 -5.421 1.00 43.24 H new ATOM 597 N GLY A 40 3.605 -19.289 -4.667 1.00 44.25 N ATOM 598 CA GLY A 40 3.785 -18.190 -3.737 1.00 12.13 C ATOM 599 C GLY A 40 4.801 -17.176 -4.225 1.00 75.41 C ATOM 600 O GLY A 40 4.454 -16.231 -4.935 1.00 71.42 O ATOM 0 H GLY A 40 2.634 -19.549 -4.841 1.00 44.25 H new ATOM 0 HA2 GLY A 40 2.828 -17.693 -3.578 1.00 12.13 H new ATOM 0 HA3 GLY A 40 4.104 -18.584 -2.772 1.00 12.13 H new ATOM 604 N LEU A 41 6.058 -17.371 -3.844 1.00 1.44 N ATOM 605 CA LEU A 41 7.128 -16.465 -4.246 1.00 43.40 C ATOM 606 C LEU A 41 8.477 -17.177 -4.238 1.00 31.23 C ATOM 607 O LEU A 41 9.179 -17.185 -3.227 1.00 53.10 O ATOM 608 CB LEU A 41 7.174 -15.252 -3.315 1.00 14.21 C ATOM 609 CG LEU A 41 7.273 -15.557 -1.820 1.00 2.22 C ATOM 610 CD1 LEU A 41 8.565 -14.997 -1.246 1.00 3.23 C ATOM 611 CD2 LEU A 41 6.070 -14.993 -1.079 1.00 54.41 C ATOM 0 H LEU A 41 6.362 -18.148 -3.257 1.00 1.44 H new ATOM 0 HA LEU A 41 6.921 -16.128 -5.262 1.00 43.40 H new ATOM 0 HB2 LEU A 41 8.027 -14.635 -3.597 1.00 14.21 H new ATOM 0 HB3 LEU A 41 6.278 -14.654 -3.485 1.00 14.21 H new ATOM 0 HG LEU A 41 7.280 -16.639 -1.689 1.00 2.22 H new ATOM 0 HD11 LEU A 41 8.618 -15.224 -0.181 1.00 3.23 H new ATOM 0 HD12 LEU A 41 9.416 -15.449 -1.756 1.00 3.23 H new ATOM 0 HD13 LEU A 41 8.588 -13.917 -1.389 1.00 3.23 H new ATOM 0 HD21 LEU A 41 6.158 -15.220 -0.017 1.00 54.41 H new ATOM 0 HD22 LEU A 41 6.031 -13.913 -1.217 1.00 54.41 H new ATOM 0 HD23 LEU A 41 5.158 -15.442 -1.472 1.00 54.41 H new ATOM 623 N GLU A 42 8.833 -17.773 -5.372 1.00 11.33 N ATOM 624 CA GLU A 42 10.098 -18.487 -5.494 1.00 45.52 C ATOM 625 C GLU A 42 10.853 -18.045 -6.745 1.00 4.23 C ATOM 626 O GLU A 42 10.422 -17.137 -7.454 1.00 44.53 O ATOM 627 CB GLU A 42 9.856 -19.997 -5.538 1.00 54.45 C ATOM 628 CG GLU A 42 9.347 -20.492 -6.882 1.00 35.14 C ATOM 629 CD GLU A 42 9.146 -21.995 -6.911 1.00 53.21 C ATOM 630 OE1 GLU A 42 8.743 -22.559 -5.872 1.00 74.35 O ATOM 631 OE2 GLU A 42 9.392 -22.606 -7.972 1.00 35.13 O ATOM 0 H GLU A 42 8.264 -17.775 -6.218 1.00 11.33 H new ATOM 0 HA GLU A 42 10.705 -18.250 -4.620 1.00 45.52 H new ATOM 0 HB2 GLU A 42 10.786 -20.513 -5.299 1.00 54.45 H new ATOM 0 HB3 GLU A 42 9.135 -20.264 -4.765 1.00 54.45 H new ATOM 0 HG2 GLU A 42 8.403 -19.998 -7.113 1.00 35.14 H new ATOM 0 HG3 GLU A 42 10.054 -20.208 -7.661 1.00 35.14 H new ATOM 638 N ALA A 43 11.983 -18.694 -7.007 1.00 72.32 N ATOM 639 CA ALA A 43 12.797 -18.370 -8.172 1.00 23.42 C ATOM 640 C ALA A 43 12.313 -19.123 -9.407 1.00 1.53 C ATOM 641 O ALA A 43 12.614 -20.302 -9.585 1.00 20.01 O ATOM 642 CB ALA A 43 14.260 -18.688 -7.898 1.00 12.13 C ATOM 0 H ALA A 43 12.355 -19.447 -6.428 1.00 72.32 H new ATOM 0 HA ALA A 43 12.698 -17.302 -8.368 1.00 23.42 H new ATOM 0 HB1 ALA A 43 14.857 -18.441 -8.776 1.00 12.13 H new ATOM 0 HB2 ALA A 43 14.607 -18.101 -7.047 1.00 12.13 H new ATOM 0 HB3 ALA A 43 14.366 -19.749 -7.674 1.00 12.13 H new ATOM 648 N GLY A 44 11.560 -18.432 -10.258 1.00 0.25 N ATOM 649 CA GLY A 44 11.046 -19.052 -11.465 1.00 14.53 C ATOM 650 C GLY A 44 12.150 -19.516 -12.394 1.00 14.22 C ATOM 651 O GLY A 44 12.956 -20.373 -12.032 1.00 30.30 O ATOM 0 H GLY A 44 11.297 -17.454 -10.133 1.00 0.25 H new ATOM 0 HA2 GLY A 44 10.421 -19.903 -11.195 1.00 14.53 H new ATOM 0 HA3 GLY A 44 10.407 -18.342 -11.991 1.00 14.53 H new ATOM 655 N HIS A 45 12.186 -18.950 -13.596 1.00 61.02 N ATOM 656 CA HIS A 45 13.199 -19.312 -14.581 1.00 23.10 C ATOM 657 C HIS A 45 14.293 -18.250 -14.651 1.00 74.23 C ATOM 658 O HIS A 45 15.462 -18.532 -14.389 1.00 50.44 O ATOM 659 CB HIS A 45 12.560 -19.495 -15.958 1.00 1.31 C ATOM 660 CG HIS A 45 12.793 -20.850 -16.551 1.00 40.04 C ATOM 661 ND1 HIS A 45 14.049 -21.395 -16.714 1.00 3.33 N ATOM 662 CD2 HIS A 45 11.921 -21.773 -17.021 1.00 10.40 C ATOM 663 CE1 HIS A 45 13.940 -22.593 -17.259 1.00 41.01 C ATOM 664 NE2 HIS A 45 12.659 -22.846 -17.455 1.00 73.32 N ATOM 0 H HIS A 45 11.526 -18.239 -13.911 1.00 61.02 H new ATOM 0 HA HIS A 45 13.651 -20.254 -14.271 1.00 23.10 H new ATOM 0 HB2 HIS A 45 11.487 -19.323 -15.877 1.00 1.31 H new ATOM 0 HB3 HIS A 45 12.954 -18.738 -16.636 1.00 1.31 H new ATOM 0 HD2 HIS A 45 10.845 -21.682 -17.049 1.00 10.40 H new ATOM 0 HE1 HIS A 45 14.759 -23.253 -17.503 1.00 41.01 H new ATOM 0 HE2 HIS A 45 12.279 -23.700 -17.863 1.00 73.32 H new ATOM 672 N TRP A 46 13.904 -17.031 -15.007 1.00 21.10 N ATOM 673 CA TRP A 46 14.852 -15.928 -15.113 1.00 12.55 C ATOM 674 C TRP A 46 15.533 -15.665 -13.774 1.00 12.11 C ATOM 675 O TRP A 46 15.089 -16.153 -12.735 1.00 14.02 O ATOM 676 CB TRP A 46 14.141 -14.662 -15.594 1.00 13.20 C ATOM 677 CG TRP A 46 13.487 -14.821 -16.933 1.00 53.22 C ATOM 678 CD1 TRP A 46 14.062 -15.302 -18.074 1.00 43.14 C ATOM 679 CD2 TRP A 46 12.134 -14.496 -17.270 1.00 34.10 C ATOM 680 NE1 TRP A 46 13.148 -15.296 -19.100 1.00 44.25 N ATOM 681 CE2 TRP A 46 11.957 -14.807 -18.633 1.00 5.14 C ATOM 682 CE3 TRP A 46 11.053 -13.975 -16.553 1.00 62.10 C ATOM 683 CZ2 TRP A 46 10.745 -14.612 -19.290 1.00 5.14 C ATOM 684 CZ3 TRP A 46 9.851 -13.782 -17.207 1.00 1.14 C ATOM 685 CH2 TRP A 46 9.705 -14.100 -18.563 1.00 73.43 C ATOM 0 H TRP A 46 12.940 -16.782 -15.227 1.00 21.10 H new ATOM 0 HA TRP A 46 15.615 -16.206 -15.840 1.00 12.55 H new ATOM 0 HB2 TRP A 46 13.387 -14.377 -14.861 1.00 13.20 H new ATOM 0 HB3 TRP A 46 14.862 -13.846 -15.644 1.00 13.20 H new ATOM 0 HD1 TRP A 46 15.085 -15.638 -18.158 1.00 43.14 H new ATOM 0 HE1 TRP A 46 13.328 -15.606 -20.055 1.00 44.25 H new ATOM 0 HE3 TRP A 46 11.155 -13.728 -15.507 1.00 62.10 H new ATOM 0 HZ2 TRP A 46 10.630 -14.856 -20.336 1.00 5.14 H new ATOM 0 HZ3 TRP A 46 9.010 -13.379 -16.663 1.00 1.14 H new ATOM 0 HH2 TRP A 46 8.752 -13.938 -19.045 1.00 73.43 H new ATOM 696 N SER A 47 16.613 -14.891 -13.806 1.00 20.10 N ATOM 697 CA SER A 47 17.357 -14.567 -12.595 1.00 3.24 C ATOM 698 C SER A 47 18.293 -13.385 -12.832 1.00 32.22 C ATOM 699 O SER A 47 19.151 -13.426 -13.714 1.00 13.22 O ATOM 700 CB SER A 47 18.160 -15.781 -12.124 1.00 2.04 C ATOM 701 OG SER A 47 19.181 -15.397 -11.218 1.00 72.54 O ATOM 0 H SER A 47 16.992 -14.477 -14.657 1.00 20.10 H new ATOM 0 HA SER A 47 16.641 -14.292 -11.821 1.00 3.24 H new ATOM 0 HB2 SER A 47 17.494 -16.498 -11.644 1.00 2.04 H new ATOM 0 HB3 SER A 47 18.603 -16.284 -12.984 1.00 2.04 H new ATOM 0 HG SER A 47 18.830 -15.413 -10.303 1.00 72.54 H new ATOM 707 N ARG A 48 18.120 -12.333 -12.038 1.00 23.52 N ATOM 708 CA ARG A 48 18.947 -11.139 -12.161 1.00 64.21 C ATOM 709 C ARG A 48 18.908 -10.316 -10.877 1.00 50.42 C ATOM 710 O ARG A 48 17.880 -10.248 -10.203 1.00 24.04 O ATOM 711 CB ARG A 48 18.477 -10.287 -13.341 1.00 41.12 C ATOM 712 CG ARG A 48 19.134 -8.918 -13.404 1.00 5.11 C ATOM 713 CD ARG A 48 20.379 -8.937 -14.277 1.00 62.13 C ATOM 714 NE ARG A 48 21.481 -9.658 -13.645 1.00 35.11 N ATOM 715 CZ ARG A 48 22.722 -9.665 -14.117 1.00 41.42 C ATOM 716 NH1 ARG A 48 23.019 -8.992 -15.220 1.00 54.35 N ATOM 717 NH2 ARG A 48 23.670 -10.345 -13.485 1.00 41.33 N ATOM 0 H ARG A 48 17.415 -12.284 -11.303 1.00 23.52 H new ATOM 0 HA ARG A 48 19.975 -11.456 -12.337 1.00 64.21 H new ATOM 0 HB2 ARG A 48 18.682 -10.822 -14.269 1.00 41.12 H new ATOM 0 HB3 ARG A 48 17.396 -10.159 -13.278 1.00 41.12 H new ATOM 0 HG2 ARG A 48 18.424 -8.190 -13.797 1.00 5.11 H new ATOM 0 HG3 ARG A 48 19.399 -8.594 -12.398 1.00 5.11 H new ATOM 0 HD2 ARG A 48 20.143 -9.402 -15.234 1.00 62.13 H new ATOM 0 HD3 ARG A 48 20.689 -7.914 -14.488 1.00 62.13 H new ATOM 0 HE ARG A 48 21.286 -10.185 -12.794 1.00 35.11 H new ATOM 0 HH11 ARG A 48 22.293 -8.467 -15.708 1.00 54.35 H new ATOM 0 HH12 ARG A 48 23.973 -8.999 -15.580 1.00 54.35 H new ATOM 0 HH21 ARG A 48 23.446 -10.863 -12.636 1.00 41.33 H new ATOM 0 HH22 ARG A 48 24.623 -10.350 -13.849 1.00 41.33 H new ATOM 731 N ASP A 49 20.033 -9.692 -10.546 1.00 1.11 N ATOM 732 CA ASP A 49 20.127 -8.872 -9.343 1.00 64.25 C ATOM 733 C ASP A 49 20.737 -7.510 -9.661 1.00 24.44 C ATOM 734 O ASP A 49 21.935 -7.296 -9.470 1.00 30.40 O ATOM 735 CB ASP A 49 20.964 -9.584 -8.279 1.00 61.44 C ATOM 736 CG ASP A 49 20.176 -9.865 -7.015 1.00 51.40 C ATOM 737 OD1 ASP A 49 19.114 -10.515 -7.109 1.00 71.34 O ATOM 738 OD2 ASP A 49 20.621 -9.434 -5.931 1.00 64.00 O ATOM 0 H ASP A 49 20.892 -9.738 -11.093 1.00 1.11 H new ATOM 0 HA ASP A 49 19.119 -8.718 -8.958 1.00 64.25 H new ATOM 0 HB2 ASP A 49 21.340 -10.523 -8.685 1.00 61.44 H new ATOM 0 HB3 ASP A 49 21.832 -8.972 -8.034 1.00 61.44 H new ATOM 743 N ILE A 50 19.906 -6.594 -10.146 1.00 24.21 N ATOM 744 CA ILE A 50 20.364 -5.254 -10.489 1.00 43.33 C ATOM 745 C ILE A 50 20.671 -4.440 -9.237 1.00 12.23 C ATOM 746 O ILE A 50 19.767 -4.069 -8.487 1.00 2.24 O ATOM 747 CB ILE A 50 19.319 -4.501 -11.334 1.00 64.00 C ATOM 748 CG1 ILE A 50 18.882 -5.357 -12.524 1.00 55.24 C ATOM 749 CG2 ILE A 50 19.882 -3.170 -11.810 1.00 63.21 C ATOM 750 CD1 ILE A 50 19.735 -5.159 -13.757 1.00 41.14 C ATOM 0 H ILE A 50 18.912 -6.755 -10.310 1.00 24.21 H new ATOM 0 HA ILE A 50 21.276 -5.373 -11.074 1.00 43.33 H new ATOM 0 HB ILE A 50 18.446 -4.302 -10.713 1.00 64.00 H new ATOM 0 HG12 ILE A 50 18.913 -6.408 -12.236 1.00 55.24 H new ATOM 0 HG13 ILE A 50 17.846 -5.124 -12.768 1.00 55.24 H new ATOM 0 HG21 ILE A 50 19.132 -2.650 -12.406 1.00 63.21 H new ATOM 0 HG22 ILE A 50 20.149 -2.559 -10.948 1.00 63.21 H new ATOM 0 HG23 ILE A 50 20.769 -3.347 -12.418 1.00 63.21 H new ATOM 0 HD11 ILE A 50 19.367 -5.797 -14.560 1.00 41.14 H new ATOM 0 HD12 ILE A 50 19.685 -4.116 -14.070 1.00 41.14 H new ATOM 0 HD13 ILE A 50 20.769 -5.420 -13.530 1.00 41.14 H new ATOM 762 N THR A 51 21.952 -4.163 -9.016 1.00 43.02 N ATOM 763 CA THR A 51 22.379 -3.392 -7.855 1.00 71.21 C ATOM 764 C THR A 51 22.757 -1.969 -8.249 1.00 13.23 C ATOM 765 O THR A 51 23.662 -1.372 -7.666 1.00 43.11 O ATOM 766 CB THR A 51 23.579 -4.054 -7.152 1.00 10.13 C ATOM 767 OG1 THR A 51 24.690 -4.137 -8.052 1.00 13.23 O ATOM 768 CG2 THR A 51 23.216 -5.446 -6.657 1.00 10.34 C ATOM 0 H THR A 51 22.713 -4.461 -9.627 1.00 43.02 H new ATOM 0 HA THR A 51 21.535 -3.363 -7.166 1.00 71.21 H new ATOM 0 HB THR A 51 23.852 -3.440 -6.294 1.00 10.13 H new ATOM 0 HG1 THR A 51 25.449 -4.557 -7.597 1.00 13.23 H new ATOM 0 HG21 THR A 51 24.079 -5.893 -6.164 1.00 10.34 H new ATOM 0 HG22 THR A 51 22.390 -5.377 -5.950 1.00 10.34 H new ATOM 0 HG23 THR A 51 22.919 -6.067 -7.502 1.00 10.34 H new ATOM 776 N LYS A 52 22.057 -1.429 -9.241 1.00 11.23 N ATOM 777 CA LYS A 52 22.317 -0.074 -9.712 1.00 11.42 C ATOM 778 C LYS A 52 21.676 0.161 -11.076 1.00 33.51 C ATOM 779 O LYS A 52 21.719 -0.692 -11.964 1.00 1.45 O ATOM 780 CB LYS A 52 23.824 0.179 -9.795 1.00 11.23 C ATOM 781 CG LYS A 52 24.209 1.227 -10.824 1.00 41.33 C ATOM 782 CD LYS A 52 25.718 1.339 -10.969 1.00 14.12 C ATOM 783 CE LYS A 52 26.103 2.424 -11.963 1.00 24.13 C ATOM 784 NZ LYS A 52 27.520 2.853 -11.794 1.00 35.42 N ATOM 0 H LYS A 52 21.305 -1.910 -9.735 1.00 11.23 H new ATOM 0 HA LYS A 52 21.876 0.622 -8.998 1.00 11.42 H new ATOM 0 HB2 LYS A 52 24.186 0.493 -8.816 1.00 11.23 H new ATOM 0 HB3 LYS A 52 24.328 -0.757 -10.036 1.00 11.23 H new ATOM 0 HG2 LYS A 52 23.768 0.971 -11.787 1.00 41.33 H new ATOM 0 HG3 LYS A 52 23.798 2.193 -10.532 1.00 41.33 H new ATOM 0 HD2 LYS A 52 26.163 1.559 -9.998 1.00 14.12 H new ATOM 0 HD3 LYS A 52 26.125 0.383 -11.297 1.00 14.12 H new ATOM 0 HE2 LYS A 52 25.953 2.056 -12.978 1.00 24.13 H new ATOM 0 HE3 LYS A 52 25.445 3.284 -11.835 1.00 24.13 H new ATOM 0 HZ1 LYS A 52 27.744 3.593 -12.489 1.00 35.42 H new ATOM 0 HZ2 LYS A 52 27.657 3.227 -10.833 1.00 35.42 H new ATOM 0 HZ3 LYS A 52 28.149 2.038 -11.941 1.00 35.42 H new ATOM 798 N PRO A 53 21.067 1.343 -11.250 1.00 2.24 N ATOM 799 CA PRO A 53 20.407 1.717 -12.504 1.00 44.31 C ATOM 800 C PRO A 53 21.403 1.953 -13.635 1.00 30.22 C ATOM 801 O PRO A 53 22.606 1.753 -13.468 1.00 64.24 O ATOM 802 CB PRO A 53 19.683 3.018 -12.150 1.00 2.44 C ATOM 803 CG PRO A 53 20.459 3.586 -11.011 1.00 34.50 C ATOM 804 CD PRO A 53 20.977 2.406 -10.235 1.00 11.41 C ATOM 0 HA PRO A 53 19.746 0.930 -12.867 1.00 44.31 H new ATOM 0 HB2 PRO A 53 19.664 3.704 -12.997 1.00 2.44 H new ATOM 0 HB3 PRO A 53 18.647 2.830 -11.869 1.00 2.44 H new ATOM 0 HG2 PRO A 53 21.279 4.208 -11.369 1.00 34.50 H new ATOM 0 HG3 PRO A 53 19.829 4.218 -10.386 1.00 34.50 H new ATOM 0 HD2 PRO A 53 21.948 2.616 -9.785 1.00 11.41 H new ATOM 0 HD3 PRO A 53 20.303 2.131 -9.424 1.00 11.41 H new ATOM 812 N LYS A 54 20.894 2.379 -14.786 1.00 0.43 N ATOM 813 CA LYS A 54 21.738 2.644 -15.945 1.00 1.43 C ATOM 814 C LYS A 54 21.367 3.973 -16.596 1.00 31.12 C ATOM 815 O LYS A 54 22.229 4.687 -17.106 1.00 60.21 O ATOM 816 CB LYS A 54 21.610 1.511 -16.965 1.00 33.23 C ATOM 817 CG LYS A 54 20.174 1.098 -17.238 1.00 53.42 C ATOM 818 CD LYS A 54 19.936 0.854 -18.719 1.00 11.30 C ATOM 819 CE LYS A 54 20.078 -0.619 -19.071 1.00 4.41 C ATOM 820 NZ LYS A 54 19.740 -0.883 -20.497 1.00 34.54 N ATOM 0 H LYS A 54 19.900 2.548 -14.941 1.00 0.43 H new ATOM 0 HA LYS A 54 22.772 2.702 -15.604 1.00 1.43 H new ATOM 0 HB2 LYS A 54 22.074 1.822 -17.901 1.00 33.23 H new ATOM 0 HB3 LYS A 54 22.166 0.645 -16.606 1.00 33.23 H new ATOM 0 HG2 LYS A 54 19.942 0.193 -16.677 1.00 53.42 H new ATOM 0 HG3 LYS A 54 19.497 1.875 -16.883 1.00 53.42 H new ATOM 0 HD2 LYS A 54 18.938 1.199 -18.990 1.00 11.30 H new ATOM 0 HD3 LYS A 54 20.646 1.439 -19.304 1.00 11.30 H new ATOM 0 HE2 LYS A 54 21.100 -0.943 -18.874 1.00 4.41 H new ATOM 0 HE3 LYS A 54 19.427 -1.211 -18.428 1.00 4.41 H new ATOM 0 HZ1 LYS A 54 20.292 -1.695 -20.840 1.00 34.54 H new ATOM 0 HZ2 LYS A 54 18.725 -1.094 -20.580 1.00 34.54 H new ATOM 0 HZ3 LYS A 54 19.967 -0.044 -21.069 1.00 34.54 H new ATOM 834 N ASN A 55 20.078 4.298 -16.573 1.00 5.42 N ATOM 835 CA ASN A 55 19.594 5.542 -17.160 1.00 52.14 C ATOM 836 C ASN A 55 18.518 6.175 -16.283 1.00 41.30 C ATOM 837 O ASN A 55 17.434 6.511 -16.757 1.00 51.42 O ATOM 838 CB ASN A 55 19.038 5.285 -18.563 1.00 2.54 C ATOM 839 CG ASN A 55 20.134 5.145 -19.602 1.00 13.51 C ATOM 840 OD1 ASN A 55 21.036 5.979 -19.686 1.00 15.35 O ATOM 841 ND2 ASN A 55 20.060 4.087 -20.400 1.00 54.15 N ATOM 0 H ASN A 55 19.351 3.718 -16.155 1.00 5.42 H new ATOM 0 HA ASN A 55 20.434 6.233 -17.229 1.00 52.14 H new ATOM 0 HB2 ASN A 55 18.434 4.378 -18.551 1.00 2.54 H new ATOM 0 HB3 ASN A 55 18.377 6.104 -18.845 1.00 2.54 H new ATOM 0 HD21 ASN A 55 20.769 3.940 -21.119 1.00 54.15 H new ATOM 0 HD22 ASN A 55 19.295 3.421 -20.295 1.00 54.15 H new ATOM 848 N GLY A 56 18.827 6.335 -15.000 1.00 2.53 N ATOM 849 CA GLY A 56 17.877 6.928 -14.076 1.00 44.24 C ATOM 850 C GLY A 56 16.903 5.912 -13.515 1.00 22.23 C ATOM 851 O GLY A 56 16.394 6.077 -12.406 1.00 53.02 O ATOM 0 H GLY A 56 19.718 6.065 -14.584 1.00 2.53 H new ATOM 0 HA2 GLY A 56 18.418 7.399 -13.256 1.00 44.24 H new ATOM 0 HA3 GLY A 56 17.322 7.716 -14.586 1.00 44.24 H new ATOM 855 N ARG A 57 16.642 4.858 -14.282 1.00 1.25 N ATOM 856 CA ARG A 57 15.720 3.813 -13.855 1.00 70.41 C ATOM 857 C ARG A 57 16.379 2.439 -13.939 1.00 61.00 C ATOM 858 O ARG A 57 17.462 2.293 -14.506 1.00 52.03 O ATOM 859 CB ARG A 57 14.455 3.837 -14.715 1.00 61.42 C ATOM 860 CG ARG A 57 14.058 5.230 -15.176 1.00 65.53 C ATOM 861 CD ARG A 57 14.141 5.360 -16.689 1.00 42.21 C ATOM 862 NE ARG A 57 13.152 4.526 -17.365 1.00 75.14 N ATOM 863 CZ ARG A 57 12.796 4.690 -18.635 1.00 11.33 C ATOM 864 NH1 ARG A 57 13.347 5.653 -19.362 1.00 35.24 N ATOM 865 NH2 ARG A 57 11.888 3.891 -19.179 1.00 71.45 N ATOM 0 H ARG A 57 17.056 4.706 -15.202 1.00 1.25 H new ATOM 0 HA ARG A 57 15.449 4.004 -12.817 1.00 70.41 H new ATOM 0 HB2 ARG A 57 14.608 3.204 -15.589 1.00 61.42 H new ATOM 0 HB3 ARG A 57 13.632 3.403 -14.148 1.00 61.42 H new ATOM 0 HG2 ARG A 57 13.042 5.448 -14.846 1.00 65.53 H new ATOM 0 HG3 ARG A 57 14.710 5.969 -14.710 1.00 65.53 H new ATOM 0 HD2 ARG A 57 13.991 6.402 -16.972 1.00 42.21 H new ATOM 0 HD3 ARG A 57 15.140 5.080 -17.023 1.00 42.21 H new ATOM 0 HE ARG A 57 12.710 3.776 -16.834 1.00 75.14 H new ATOM 0 HH11 ARG A 57 14.045 6.269 -18.947 1.00 35.24 H new ATOM 0 HH12 ARG A 57 13.072 5.777 -20.336 1.00 35.24 H new ATOM 0 HH21 ARG A 57 11.462 3.150 -18.623 1.00 71.45 H new ATOM 0 HH22 ARG A 57 11.616 4.018 -20.154 1.00 71.45 H new ATOM 879 N TRP A 58 15.719 1.436 -13.371 1.00 2.54 N ATOM 880 CA TRP A 58 16.242 0.075 -13.381 1.00 34.32 C ATOM 881 C TRP A 58 15.720 -0.700 -14.586 1.00 55.40 C ATOM 882 O TRP A 58 14.664 -1.331 -14.520 1.00 25.03 O ATOM 883 CB TRP A 58 15.859 -0.650 -12.089 1.00 43.30 C ATOM 884 CG TRP A 58 16.128 0.156 -10.854 1.00 52.22 C ATOM 885 CD1 TRP A 58 15.455 1.270 -10.440 1.00 35.21 C ATOM 886 CD2 TRP A 58 17.144 -0.088 -9.875 1.00 73.34 C ATOM 887 NE1 TRP A 58 15.991 1.732 -9.262 1.00 53.43 N ATOM 888 CE2 TRP A 58 17.028 0.916 -8.895 1.00 15.24 C ATOM 889 CE3 TRP A 58 18.139 -1.059 -9.731 1.00 14.13 C ATOM 890 CZ2 TRP A 58 17.870 0.976 -7.788 1.00 12.14 C ATOM 891 CZ3 TRP A 58 18.974 -0.998 -8.632 1.00 11.23 C ATOM 892 CH2 TRP A 58 18.835 0.013 -7.671 1.00 41.23 C ATOM 0 H TRP A 58 14.821 1.540 -12.898 1.00 2.54 H new ATOM 0 HA TRP A 58 17.328 0.131 -13.451 1.00 34.32 H new ATOM 0 HB2 TRP A 58 14.800 -0.905 -12.124 1.00 43.30 H new ATOM 0 HB3 TRP A 58 16.411 -1.588 -12.030 1.00 43.30 H new ATOM 0 HD1 TRP A 58 14.624 1.721 -10.962 1.00 35.21 H new ATOM 0 HE1 TRP A 58 15.669 2.550 -8.745 1.00 53.43 H new ATOM 0 HE3 TRP A 58 18.253 -1.843 -10.465 1.00 14.13 H new ATOM 0 HZ2 TRP A 58 17.765 1.755 -7.048 1.00 12.14 H new ATOM 0 HZ3 TRP A 58 19.747 -1.742 -8.511 1.00 11.23 H new ATOM 0 HH2 TRP A 58 19.502 0.032 -6.822 1.00 41.23 H new ATOM 903 N ILE A 59 16.464 -0.647 -15.685 1.00 50.03 N ATOM 904 CA ILE A 59 16.076 -1.345 -16.904 1.00 75.15 C ATOM 905 C ILE A 59 16.768 -2.700 -17.007 1.00 0.24 C ATOM 906 O ILE A 59 17.955 -2.826 -16.707 1.00 24.43 O ATOM 907 CB ILE A 59 16.408 -0.515 -18.159 1.00 21.44 C ATOM 908 CG1 ILE A 59 15.852 0.903 -18.021 1.00 15.23 C ATOM 909 CG2 ILE A 59 15.851 -1.190 -19.403 1.00 71.12 C ATOM 910 CD1 ILE A 59 16.469 1.891 -18.985 1.00 43.13 C ATOM 0 H ILE A 59 17.339 -0.128 -15.756 1.00 50.03 H new ATOM 0 HA ILE A 59 14.997 -1.494 -16.851 1.00 75.15 H new ATOM 0 HB ILE A 59 17.492 -0.452 -18.259 1.00 21.44 H new ATOM 0 HG12 ILE A 59 14.774 0.879 -18.179 1.00 15.23 H new ATOM 0 HG13 ILE A 59 16.017 1.251 -17.001 1.00 15.23 H new ATOM 0 HG21 ILE A 59 16.094 -0.592 -20.281 1.00 71.12 H new ATOM 0 HG22 ILE A 59 16.291 -2.182 -19.507 1.00 71.12 H new ATOM 0 HG23 ILE A 59 14.768 -1.281 -19.314 1.00 71.12 H new ATOM 0 HD11 ILE A 59 16.027 2.875 -18.830 1.00 43.13 H new ATOM 0 HD12 ILE A 59 17.544 1.945 -18.813 1.00 43.13 H new ATOM 0 HD13 ILE A 59 16.282 1.566 -20.008 1.00 43.13 H new ATOM 922 N PHE A 60 16.018 -3.711 -17.434 1.00 4.34 N ATOM 923 CA PHE A 60 16.560 -5.057 -17.577 1.00 21.04 C ATOM 924 C PHE A 60 16.223 -5.636 -18.948 1.00 20.05 C ATOM 925 O PHE A 60 15.213 -5.278 -19.553 1.00 41.53 O ATOM 926 CB PHE A 60 16.013 -5.969 -16.477 1.00 20.23 C ATOM 927 CG PHE A 60 15.986 -7.421 -16.860 1.00 70.14 C ATOM 928 CD1 PHE A 60 14.891 -7.957 -17.520 1.00 4.31 C ATOM 929 CD2 PHE A 60 17.055 -8.250 -16.562 1.00 62.20 C ATOM 930 CE1 PHE A 60 14.864 -9.292 -17.873 1.00 72.53 C ATOM 931 CE2 PHE A 60 17.033 -9.587 -16.913 1.00 44.14 C ATOM 932 CZ PHE A 60 15.936 -10.108 -17.571 1.00 25.32 C ATOM 0 H PHE A 60 15.034 -3.623 -17.687 1.00 4.34 H new ATOM 0 HA PHE A 60 17.644 -4.997 -17.484 1.00 21.04 H new ATOM 0 HB2 PHE A 60 16.622 -5.849 -15.581 1.00 20.23 H new ATOM 0 HB3 PHE A 60 15.003 -5.650 -16.221 1.00 20.23 H new ATOM 0 HD1 PHE A 60 14.050 -7.324 -17.761 1.00 4.31 H new ATOM 0 HD2 PHE A 60 17.916 -7.847 -16.049 1.00 62.20 H new ATOM 0 HE1 PHE A 60 14.004 -9.698 -18.385 1.00 72.53 H new ATOM 0 HE2 PHE A 60 17.872 -10.223 -16.673 1.00 44.14 H new ATOM 0 HZ PHE A 60 15.917 -11.152 -17.849 1.00 25.32 H new ATOM 942 N ARG A 61 17.077 -6.533 -19.430 1.00 54.05 N ATOM 943 CA ARG A 61 16.871 -7.161 -20.730 1.00 42.32 C ATOM 944 C ARG A 61 17.286 -8.629 -20.697 1.00 10.35 C ATOM 945 O ARG A 61 18.337 -8.975 -20.158 1.00 4.14 O ATOM 946 CB ARG A 61 17.664 -6.420 -21.809 1.00 31.31 C ATOM 947 CG ARG A 61 17.141 -5.022 -22.097 1.00 64.41 C ATOM 948 CD ARG A 61 17.882 -3.972 -21.284 1.00 62.21 C ATOM 949 NE ARG A 61 18.460 -2.932 -22.131 1.00 22.03 N ATOM 950 CZ ARG A 61 19.603 -3.074 -22.793 1.00 74.55 C ATOM 951 NH1 ARG A 61 20.285 -4.208 -22.708 1.00 43.15 N ATOM 952 NH2 ARG A 61 20.064 -2.082 -23.544 1.00 31.12 N ATOM 0 H ARG A 61 17.917 -6.841 -18.941 1.00 54.05 H new ATOM 0 HA ARG A 61 15.809 -7.107 -20.967 1.00 42.32 H new ATOM 0 HB2 ARG A 61 18.707 -6.352 -21.499 1.00 31.31 H new ATOM 0 HB3 ARG A 61 17.642 -7.004 -22.729 1.00 31.31 H new ATOM 0 HG2 ARG A 61 17.248 -4.804 -23.160 1.00 64.41 H new ATOM 0 HG3 ARG A 61 16.076 -4.976 -21.868 1.00 64.41 H new ATOM 0 HD2 ARG A 61 17.197 -3.518 -20.568 1.00 62.21 H new ATOM 0 HD3 ARG A 61 18.673 -4.451 -20.708 1.00 62.21 H new ATOM 0 HE ARG A 61 17.959 -2.048 -22.219 1.00 22.03 H new ATOM 0 HH11 ARG A 61 19.932 -4.973 -22.134 1.00 43.15 H new ATOM 0 HH12 ARG A 61 21.162 -4.315 -23.217 1.00 43.15 H new ATOM 0 HH21 ARG A 61 19.541 -1.209 -23.613 1.00 31.12 H new ATOM 0 HH22 ARG A 61 20.942 -2.192 -24.052 1.00 31.12 H new ATOM 966 N ASP A 62 16.453 -9.487 -21.275 1.00 50.30 N ATOM 967 CA ASP A 62 16.733 -10.917 -21.312 1.00 30.40 C ATOM 968 C ASP A 62 17.102 -11.363 -22.724 1.00 2.44 C ATOM 969 O ASP A 62 17.147 -10.552 -23.649 1.00 12.11 O ATOM 970 CB ASP A 62 15.522 -11.709 -20.815 1.00 2.34 C ATOM 971 CG ASP A 62 15.889 -12.716 -19.743 1.00 5.03 C ATOM 972 OD1 ASP A 62 17.000 -13.283 -19.817 1.00 13.50 O ATOM 973 OD2 ASP A 62 15.066 -12.938 -18.830 1.00 63.40 O ATOM 0 H ASP A 62 15.578 -9.217 -21.724 1.00 50.30 H new ATOM 0 HA ASP A 62 17.581 -11.113 -20.655 1.00 30.40 H new ATOM 0 HB2 ASP A 62 14.777 -11.018 -20.421 1.00 2.34 H new ATOM 0 HB3 ASP A 62 15.062 -12.229 -21.655 1.00 2.34 H new ATOM 978 N ARG A 63 17.367 -12.655 -22.881 1.00 22.45 N ATOM 979 CA ARG A 63 17.735 -13.208 -24.179 1.00 10.14 C ATOM 980 C ARG A 63 17.181 -14.620 -24.345 1.00 42.12 C ATOM 981 O ARG A 63 17.554 -15.338 -25.272 1.00 23.13 O ATOM 982 CB ARG A 63 19.256 -13.223 -24.338 1.00 24.24 C ATOM 983 CG ARG A 63 19.884 -11.839 -24.324 1.00 42.02 C ATOM 984 CD ARG A 63 21.352 -11.897 -23.932 1.00 1.24 C ATOM 985 NE ARG A 63 22.130 -12.732 -24.843 1.00 31.12 N ATOM 986 CZ ARG A 63 23.430 -12.965 -24.698 1.00 13.31 C ATOM 987 NH1 ARG A 63 24.094 -12.428 -23.684 1.00 14.05 N ATOM 988 NH2 ARG A 63 24.068 -13.736 -25.569 1.00 30.13 N ATOM 0 H ARG A 63 17.334 -13.339 -22.125 1.00 22.45 H new ATOM 0 HA ARG A 63 17.302 -12.573 -24.952 1.00 10.14 H new ATOM 0 HB2 ARG A 63 19.691 -13.818 -23.535 1.00 24.24 H new ATOM 0 HB3 ARG A 63 19.510 -13.718 -25.275 1.00 24.24 H new ATOM 0 HG2 ARG A 63 19.787 -11.384 -25.310 1.00 42.02 H new ATOM 0 HG3 ARG A 63 19.344 -11.201 -23.624 1.00 42.02 H new ATOM 0 HD2 ARG A 63 21.765 -10.888 -23.923 1.00 1.24 H new ATOM 0 HD3 ARG A 63 21.441 -12.287 -22.918 1.00 1.24 H new ATOM 0 HE ARG A 63 21.649 -13.160 -25.634 1.00 31.12 H new ATOM 0 HH11 ARG A 63 23.607 -11.834 -23.013 1.00 14.05 H new ATOM 0 HH12 ARG A 63 25.092 -12.609 -23.575 1.00 14.05 H new ATOM 0 HH21 ARG A 63 23.560 -14.150 -26.351 1.00 30.13 H new ATOM 0 HH22 ARG A 63 25.066 -13.914 -25.457 1.00 30.13 H new ATOM 1002 N ASN A 64 16.289 -15.011 -23.441 1.00 2.33 N ATOM 1003 CA ASN A 64 15.685 -16.337 -23.487 1.00 32.22 C ATOM 1004 C ASN A 64 14.165 -16.246 -23.385 1.00 62.33 C ATOM 1005 O ASN A 64 13.485 -17.252 -23.181 1.00 44.41 O ATOM 1006 CB ASN A 64 16.232 -17.209 -22.355 1.00 35.22 C ATOM 1007 CG ASN A 64 15.817 -16.706 -20.986 1.00 33.34 C ATOM 1008 OD1 ASN A 64 16.579 -15.762 -20.446 1.00 34.52 O flip ATOM 1009 ND2 ASN A 64 14.823 -17.161 -20.420 1.00 50.04 N flip ATOM 0 H ASN A 64 15.968 -14.428 -22.668 1.00 2.33 H new ATOM 0 HA ASN A 64 15.941 -16.793 -24.444 1.00 32.22 H new ATOM 0 HB2 ASN A 64 15.880 -18.232 -22.485 1.00 35.22 H new ATOM 0 HB3 ASN A 64 17.320 -17.237 -22.415 1.00 35.22 H new ATOM 0 HD21 ASN A 64 14.266 -17.886 -20.872 1.00 50.04 H new ATOM 0 HD22 ASN A 64 14.556 -16.813 -19.499 1.00 50.04 H new ATOM 1016 N ALA A 65 13.639 -15.034 -23.530 1.00 24.41 N ATOM 1017 CA ALA A 65 12.201 -14.812 -23.457 1.00 74.23 C ATOM 1018 C ALA A 65 11.586 -14.738 -24.851 1.00 14.43 C ATOM 1019 O ALA A 65 11.572 -13.679 -25.477 1.00 51.44 O ATOM 1020 CB ALA A 65 11.902 -13.540 -22.677 1.00 73.44 C ATOM 0 H ALA A 65 14.188 -14.191 -23.699 1.00 24.41 H new ATOM 0 HA ALA A 65 11.753 -15.658 -22.935 1.00 74.23 H new ATOM 0 HB1 ALA A 65 10.824 -13.387 -22.630 1.00 73.44 H new ATOM 0 HB2 ALA A 65 12.300 -13.631 -21.666 1.00 73.44 H new ATOM 0 HB3 ALA A 65 12.368 -12.690 -23.175 1.00 73.44 H new ATOM 1026 N ALA A 66 11.078 -15.869 -25.330 1.00 4.41 N ATOM 1027 CA ALA A 66 10.461 -15.930 -26.649 1.00 31.42 C ATOM 1028 C ALA A 66 8.951 -15.736 -26.558 1.00 2.32 C ATOM 1029 O ALA A 66 8.183 -16.691 -26.681 1.00 41.33 O ATOM 1030 CB ALA A 66 10.784 -17.256 -27.321 1.00 64.34 C ATOM 0 H ALA A 66 11.082 -16.755 -24.824 1.00 4.41 H new ATOM 0 HA ALA A 66 10.870 -15.119 -27.252 1.00 31.42 H new ATOM 0 HB1 ALA A 66 10.317 -17.288 -28.305 1.00 64.34 H new ATOM 0 HB2 ALA A 66 11.864 -17.356 -27.428 1.00 64.34 H new ATOM 0 HB3 ALA A 66 10.403 -18.075 -26.711 1.00 64.34 H new ATOM 1036 N LEU A 67 8.532 -14.494 -26.341 1.00 33.14 N ATOM 1037 CA LEU A 67 7.113 -14.174 -26.232 1.00 55.03 C ATOM 1038 C LEU A 67 6.717 -13.103 -27.244 1.00 61.32 C ATOM 1039 O LEU A 67 7.571 -12.511 -27.904 1.00 24.01 O ATOM 1040 CB LEU A 67 6.783 -13.700 -24.816 1.00 2.42 C ATOM 1041 CG LEU A 67 7.170 -12.258 -24.484 1.00 1.02 C ATOM 1042 CD1 LEU A 67 8.580 -11.959 -24.968 1.00 4.21 C ATOM 1043 CD2 LEU A 67 6.175 -11.284 -25.098 1.00 44.12 C ATOM 0 H LEU A 67 9.154 -13.693 -26.237 1.00 33.14 H new ATOM 0 HA LEU A 67 6.545 -15.079 -26.447 1.00 55.03 H new ATOM 0 HB2 LEU A 67 5.711 -13.813 -24.657 1.00 2.42 H new ATOM 0 HB3 LEU A 67 7.282 -14.361 -24.107 1.00 2.42 H new ATOM 0 HG LEU A 67 7.146 -12.136 -23.401 1.00 1.02 H new ATOM 0 HD11 LEU A 67 8.838 -10.929 -24.723 1.00 4.21 H new ATOM 0 HD12 LEU A 67 9.283 -12.635 -24.481 1.00 4.21 H new ATOM 0 HD13 LEU A 67 8.631 -12.099 -26.048 1.00 4.21 H new ATOM 0 HD21 LEU A 67 6.466 -10.263 -24.852 1.00 44.12 H new ATOM 0 HD22 LEU A 67 6.166 -11.407 -26.181 1.00 44.12 H new ATOM 0 HD23 LEU A 67 5.179 -11.483 -24.702 1.00 44.12 H new ATOM 1055 N LYS A 68 5.416 -12.858 -27.360 1.00 64.13 N ATOM 1056 CA LYS A 68 4.906 -11.856 -28.289 1.00 21.32 C ATOM 1057 C LYS A 68 3.516 -11.387 -27.873 1.00 12.25 C ATOM 1058 O LYS A 68 2.795 -12.097 -27.170 1.00 44.22 O ATOM 1059 CB LYS A 68 4.860 -12.424 -29.709 1.00 43.12 C ATOM 1060 CG LYS A 68 4.092 -13.730 -29.818 1.00 2.21 C ATOM 1061 CD LYS A 68 5.000 -14.930 -29.608 1.00 2.14 C ATOM 1062 CE LYS A 68 5.201 -15.710 -30.898 1.00 13.11 C ATOM 1063 NZ LYS A 68 6.456 -15.315 -31.596 1.00 15.34 N ATOM 0 H LYS A 68 4.695 -13.340 -26.822 1.00 64.13 H new ATOM 0 HA LYS A 68 5.581 -11.000 -28.268 1.00 21.32 H new ATOM 0 HB2 LYS A 68 4.404 -11.688 -30.371 1.00 43.12 H new ATOM 0 HB3 LYS A 68 5.879 -12.581 -30.061 1.00 43.12 H new ATOM 0 HG2 LYS A 68 3.291 -13.745 -29.079 1.00 2.21 H new ATOM 0 HG3 LYS A 68 3.622 -13.796 -30.799 1.00 2.21 H new ATOM 0 HD2 LYS A 68 5.966 -14.595 -29.230 1.00 2.14 H new ATOM 0 HD3 LYS A 68 4.570 -15.584 -28.849 1.00 2.14 H new ATOM 0 HE2 LYS A 68 5.229 -16.777 -30.677 1.00 13.11 H new ATOM 0 HE3 LYS A 68 4.350 -15.544 -31.559 1.00 13.11 H new ATOM 0 HZ1 LYS A 68 6.556 -15.869 -32.470 1.00 15.34 H new ATOM 0 HZ2 LYS A 68 6.419 -14.302 -31.830 1.00 15.34 H new ATOM 0 HZ3 LYS A 68 7.270 -15.497 -30.975 1.00 15.34 H new ATOM 1077 N ILE A 69 3.145 -10.189 -28.311 1.00 0.40 N ATOM 1078 CA ILE A 69 1.840 -9.627 -27.986 1.00 0.34 C ATOM 1079 C ILE A 69 0.797 -10.725 -27.810 1.00 20.25 C ATOM 1080 O ILE A 69 0.552 -11.515 -28.720 1.00 41.15 O ATOM 1081 CB ILE A 69 1.361 -8.649 -29.075 1.00 14.14 C ATOM 1082 CG1 ILE A 69 2.195 -7.367 -29.043 1.00 64.01 C ATOM 1083 CG2 ILE A 69 -0.115 -8.331 -28.888 1.00 54.13 C ATOM 1084 CD1 ILE A 69 2.227 -6.700 -27.686 1.00 1.21 C ATOM 0 H ILE A 69 3.730 -9.589 -28.892 1.00 0.40 H new ATOM 0 HA ILE A 69 1.955 -9.085 -27.047 1.00 0.34 H new ATOM 0 HB ILE A 69 1.491 -9.121 -30.049 1.00 14.14 H new ATOM 0 HG12 ILE A 69 3.215 -7.599 -29.349 1.00 64.01 H new ATOM 0 HG13 ILE A 69 1.795 -6.665 -29.775 1.00 64.01 H new ATOM 0 HG21 ILE A 69 -0.439 -7.639 -29.665 1.00 54.13 H new ATOM 0 HG22 ILE A 69 -0.697 -9.250 -28.955 1.00 54.13 H new ATOM 0 HG23 ILE A 69 -0.268 -7.876 -27.909 1.00 54.13 H new ATOM 0 HD11 ILE A 69 2.836 -5.798 -27.738 1.00 1.21 H new ATOM 0 HD12 ILE A 69 1.213 -6.436 -27.386 1.00 1.21 H new ATOM 0 HD13 ILE A 69 2.655 -7.385 -26.954 1.00 1.21 H new ATOM 1096 N GLY A 70 0.183 -10.768 -26.631 1.00 5.14 N ATOM 1097 CA GLY A 70 -0.828 -11.772 -26.357 1.00 22.13 C ATOM 1098 C GLY A 70 -0.453 -12.670 -25.195 1.00 21.53 C ATOM 1099 O GLY A 70 -1.324 -13.181 -24.490 1.00 3.54 O ATOM 0 H GLY A 70 0.368 -10.125 -25.861 1.00 5.14 H new ATOM 0 HA2 GLY A 70 -1.776 -11.279 -26.140 1.00 22.13 H new ATOM 0 HA3 GLY A 70 -0.982 -12.381 -27.248 1.00 22.13 H new ATOM 1103 N ASP A 71 0.846 -12.866 -24.995 1.00 72.24 N ATOM 1104 CA ASP A 71 1.334 -13.710 -23.911 1.00 63.11 C ATOM 1105 C ASP A 71 1.013 -13.091 -22.554 1.00 61.41 C ATOM 1106 O ASP A 71 0.403 -12.025 -22.474 1.00 44.24 O ATOM 1107 CB ASP A 71 2.843 -13.925 -24.043 1.00 52.14 C ATOM 1108 CG ASP A 71 3.187 -15.303 -24.573 1.00 21.00 C ATOM 1109 OD1 ASP A 71 2.404 -16.244 -24.330 1.00 74.31 O ATOM 1110 OD2 ASP A 71 4.241 -15.441 -25.230 1.00 13.53 O ATOM 0 H ASP A 71 1.580 -12.452 -25.570 1.00 72.24 H new ATOM 0 HA ASP A 71 0.830 -14.674 -23.979 1.00 63.11 H new ATOM 0 HB2 ASP A 71 3.258 -13.169 -24.709 1.00 52.14 H new ATOM 0 HB3 ASP A 71 3.314 -13.785 -23.070 1.00 52.14 H new ATOM 1115 N LYS A 72 1.427 -13.768 -21.488 1.00 75.52 N ATOM 1116 CA LYS A 72 1.184 -13.287 -20.134 1.00 12.43 C ATOM 1117 C LYS A 72 2.351 -13.634 -19.215 1.00 60.12 C ATOM 1118 O LYS A 72 3.073 -14.603 -19.453 1.00 51.12 O ATOM 1119 CB LYS A 72 -0.110 -13.888 -19.581 1.00 15.52 C ATOM 1120 CG LYS A 72 -1.339 -13.034 -19.844 1.00 44.40 C ATOM 1121 CD LYS A 72 -2.510 -13.874 -20.323 1.00 33.42 C ATOM 1122 CE LYS A 72 -2.725 -13.729 -21.821 1.00 53.44 C ATOM 1123 NZ LYS A 72 -3.661 -14.759 -22.350 1.00 61.53 N ATOM 0 H LYS A 72 1.933 -14.652 -21.536 1.00 75.52 H new ATOM 0 HA LYS A 72 1.086 -12.202 -20.174 1.00 12.43 H new ATOM 0 HB2 LYS A 72 -0.261 -14.873 -20.023 1.00 15.52 H new ATOM 0 HB3 LYS A 72 -0.003 -14.034 -18.506 1.00 15.52 H new ATOM 0 HG2 LYS A 72 -1.618 -12.506 -18.932 1.00 44.40 H new ATOM 0 HG3 LYS A 72 -1.104 -12.277 -20.592 1.00 44.40 H new ATOM 0 HD2 LYS A 72 -2.331 -14.921 -20.080 1.00 33.42 H new ATOM 0 HD3 LYS A 72 -3.415 -13.574 -19.794 1.00 33.42 H new ATOM 0 HE2 LYS A 72 -3.119 -12.736 -22.037 1.00 53.44 H new ATOM 0 HE3 LYS A 72 -1.767 -13.811 -22.335 1.00 53.44 H new ATOM 0 HZ1 LYS A 72 -3.781 -14.626 -23.374 1.00 61.53 H new ATOM 0 HZ2 LYS A 72 -3.274 -15.707 -22.167 1.00 61.53 H new ATOM 0 HZ3 LYS A 72 -4.583 -14.665 -21.878 1.00 61.53 H new ATOM 1137 N ILE A 73 2.529 -12.839 -18.166 1.00 1.03 N ATOM 1138 CA ILE A 73 3.607 -13.065 -17.211 1.00 20.01 C ATOM 1139 C ILE A 73 3.078 -13.094 -15.781 1.00 72.11 C ATOM 1140 O ILE A 73 2.190 -12.321 -15.421 1.00 35.30 O ATOM 1141 CB ILE A 73 4.694 -11.980 -17.322 1.00 3.10 C ATOM 1142 CG1 ILE A 73 5.189 -11.869 -18.765 1.00 64.15 C ATOM 1143 CG2 ILE A 73 5.850 -12.290 -16.382 1.00 51.22 C ATOM 1144 CD1 ILE A 73 5.592 -10.465 -19.160 1.00 60.41 C ATOM 0 H ILE A 73 1.941 -12.033 -17.956 1.00 1.03 H new ATOM 0 HA ILE A 73 4.045 -14.033 -17.453 1.00 20.01 H new ATOM 0 HB ILE A 73 4.262 -11.023 -17.031 1.00 3.10 H new ATOM 0 HG12 ILE A 73 6.042 -12.535 -18.900 1.00 64.15 H new ATOM 0 HG13 ILE A 73 4.404 -12.216 -19.437 1.00 64.15 H new ATOM 0 HG21 ILE A 73 6.610 -11.514 -16.472 1.00 51.22 H new ATOM 0 HG22 ILE A 73 5.485 -12.323 -15.355 1.00 51.22 H new ATOM 0 HG23 ILE A 73 6.284 -13.255 -16.644 1.00 51.22 H new ATOM 0 HD11 ILE A 73 5.932 -10.462 -20.196 1.00 60.41 H new ATOM 0 HD12 ILE A 73 4.736 -9.798 -19.057 1.00 60.41 H new ATOM 0 HD13 ILE A 73 6.399 -10.122 -18.512 1.00 60.41 H new ATOM 1156 N TYR A 74 3.630 -13.989 -14.970 1.00 23.11 N ATOM 1157 CA TYR A 74 3.214 -14.120 -13.579 1.00 12.43 C ATOM 1158 C TYR A 74 4.413 -14.382 -12.673 1.00 43.21 C ATOM 1159 O TYR A 74 4.888 -15.512 -12.564 1.00 63.51 O ATOM 1160 CB TYR A 74 2.194 -15.251 -13.434 1.00 2.44 C ATOM 1161 CG TYR A 74 1.299 -15.417 -14.641 1.00 22.52 C ATOM 1162 CD1 TYR A 74 1.715 -16.155 -15.742 1.00 43.23 C ATOM 1163 CD2 TYR A 74 0.037 -14.838 -14.679 1.00 74.51 C ATOM 1164 CE1 TYR A 74 0.901 -16.309 -16.848 1.00 21.15 C ATOM 1165 CE2 TYR A 74 -0.785 -14.989 -15.779 1.00 51.25 C ATOM 1166 CZ TYR A 74 -0.348 -15.724 -16.861 1.00 72.43 C ATOM 1167 OH TYR A 74 -1.163 -15.877 -17.960 1.00 22.02 O ATOM 0 H TYR A 74 4.367 -14.635 -15.252 1.00 23.11 H new ATOM 0 HA TYR A 74 2.751 -13.181 -13.275 1.00 12.43 H new ATOM 0 HB2 TYR A 74 2.724 -16.186 -13.254 1.00 2.44 H new ATOM 0 HB3 TYR A 74 1.576 -15.061 -12.557 1.00 2.44 H new ATOM 0 HD1 TYR A 74 2.691 -16.616 -15.733 1.00 43.23 H new ATOM 0 HD2 TYR A 74 -0.307 -14.260 -13.834 1.00 74.51 H new ATOM 0 HE1 TYR A 74 1.241 -16.884 -17.697 1.00 21.15 H new ATOM 0 HE2 TYR A 74 -1.764 -14.534 -15.792 1.00 51.25 H new ATOM 0 HH TYR A 74 -2.008 -15.404 -17.809 1.00 22.02 H new ATOM 1177 N PHE A 75 4.898 -13.328 -12.025 1.00 21.25 N ATOM 1178 CA PHE A 75 6.043 -13.443 -11.128 1.00 15.51 C ATOM 1179 C PHE A 75 6.093 -12.265 -10.158 1.00 65.43 C ATOM 1180 O PHE A 75 5.091 -11.587 -9.936 1.00 34.22 O ATOM 1181 CB PHE A 75 7.342 -13.512 -11.932 1.00 64.10 C ATOM 1182 CG PHE A 75 7.816 -12.174 -12.422 1.00 42.25 C ATOM 1183 CD1 PHE A 75 6.970 -11.345 -13.141 1.00 74.10 C ATOM 1184 CD2 PHE A 75 9.108 -11.744 -12.164 1.00 70.35 C ATOM 1185 CE1 PHE A 75 7.403 -10.114 -13.594 1.00 45.40 C ATOM 1186 CE2 PHE A 75 9.547 -10.514 -12.615 1.00 4.53 C ATOM 1187 CZ PHE A 75 8.693 -9.697 -13.330 1.00 5.25 C ATOM 0 H PHE A 75 4.517 -12.385 -12.104 1.00 21.25 H new ATOM 0 HA PHE A 75 5.932 -14.362 -10.552 1.00 15.51 H new ATOM 0 HB2 PHE A 75 8.120 -13.959 -11.313 1.00 64.10 H new ATOM 0 HB3 PHE A 75 7.196 -14.172 -12.787 1.00 64.10 H new ATOM 0 HD1 PHE A 75 5.960 -11.665 -13.350 1.00 74.10 H new ATOM 0 HD2 PHE A 75 9.780 -12.378 -11.604 1.00 70.35 H new ATOM 0 HE1 PHE A 75 6.733 -9.478 -14.154 1.00 45.40 H new ATOM 0 HE2 PHE A 75 10.557 -10.192 -12.409 1.00 4.53 H new ATOM 0 HZ PHE A 75 9.033 -8.734 -13.682 1.00 5.25 H new ATOM 1197 N TRP A 76 7.268 -12.030 -9.585 1.00 32.25 N ATOM 1198 CA TRP A 76 7.450 -10.936 -8.638 1.00 1.41 C ATOM 1199 C TRP A 76 8.866 -10.377 -8.718 1.00 44.44 C ATOM 1200 O TRP A 76 9.699 -10.873 -9.478 1.00 71.00 O ATOM 1201 CB TRP A 76 7.156 -11.411 -7.214 1.00 63.12 C ATOM 1202 CG TRP A 76 7.908 -12.651 -6.835 1.00 5.22 C ATOM 1203 CD1 TRP A 76 7.601 -13.935 -7.183 1.00 50.15 C ATOM 1204 CD2 TRP A 76 9.092 -12.723 -6.032 1.00 61.25 C ATOM 1205 NE1 TRP A 76 8.522 -14.801 -6.646 1.00 62.31 N ATOM 1206 CE2 TRP A 76 9.448 -14.083 -5.936 1.00 53.15 C ATOM 1207 CE3 TRP A 76 9.887 -11.772 -5.388 1.00 22.03 C ATOM 1208 CZ2 TRP A 76 10.562 -14.512 -5.221 1.00 3.32 C ATOM 1209 CZ3 TRP A 76 10.993 -12.199 -4.678 1.00 20.34 C ATOM 1210 CH2 TRP A 76 11.323 -13.559 -4.599 1.00 51.13 C ATOM 0 H TRP A 76 8.108 -12.582 -9.759 1.00 32.25 H new ATOM 0 HA TRP A 76 6.750 -10.142 -8.900 1.00 1.41 H new ATOM 0 HB2 TRP A 76 7.407 -10.614 -6.514 1.00 63.12 H new ATOM 0 HB3 TRP A 76 6.087 -11.598 -7.114 1.00 63.12 H new ATOM 0 HD1 TRP A 76 6.758 -14.227 -7.791 1.00 50.15 H new ATOM 0 HE1 TRP A 76 8.517 -15.815 -6.758 1.00 62.31 H new ATOM 0 HE3 TRP A 76 9.642 -10.722 -5.444 1.00 22.03 H new ATOM 0 HZ2 TRP A 76 10.817 -15.560 -5.159 1.00 3.32 H new ATOM 0 HZ3 TRP A 76 11.614 -11.472 -4.175 1.00 20.34 H new ATOM 0 HH2 TRP A 76 12.194 -13.861 -4.037 1.00 51.13 H new ATOM 1221 N THR A 77 9.135 -9.340 -7.930 1.00 32.30 N ATOM 1222 CA THR A 77 10.450 -8.713 -7.913 1.00 64.51 C ATOM 1223 C THR A 77 10.816 -8.241 -6.511 1.00 25.33 C ATOM 1224 O THR A 77 9.942 -7.958 -5.692 1.00 54.11 O ATOM 1225 CB THR A 77 10.514 -7.515 -8.879 1.00 22.21 C ATOM 1226 OG1 THR A 77 9.271 -6.806 -8.862 1.00 54.31 O ATOM 1227 CG2 THR A 77 10.821 -7.978 -10.295 1.00 50.43 C ATOM 0 H THR A 77 8.458 -8.917 -7.295 1.00 32.30 H new ATOM 0 HA THR A 77 11.165 -9.470 -8.237 1.00 64.51 H new ATOM 0 HB THR A 77 11.314 -6.852 -8.549 1.00 22.21 H new ATOM 0 HG1 THR A 77 9.320 -6.045 -9.477 1.00 54.31 H new ATOM 0 HG21 THR A 77 10.861 -7.115 -10.959 1.00 50.43 H new ATOM 0 HG22 THR A 77 11.782 -8.492 -10.309 1.00 50.43 H new ATOM 0 HG23 THR A 77 10.040 -8.659 -10.632 1.00 50.43 H new ATOM 1235 N PHE A 78 12.115 -8.158 -6.240 1.00 12.05 N ATOM 1236 CA PHE A 78 12.597 -7.720 -4.935 1.00 13.22 C ATOM 1237 C PHE A 78 13.421 -6.442 -5.060 1.00 54.44 C ATOM 1238 O PHE A 78 14.251 -6.311 -5.960 1.00 2.24 O ATOM 1239 CB PHE A 78 13.437 -8.820 -4.282 1.00 51.52 C ATOM 1240 CG PHE A 78 13.244 -8.919 -2.796 1.00 4.41 C ATOM 1241 CD1 PHE A 78 12.090 -9.474 -2.269 1.00 33.10 C ATOM 1242 CD2 PHE A 78 14.218 -8.456 -1.926 1.00 2.44 C ATOM 1243 CE1 PHE A 78 11.910 -9.567 -0.902 1.00 34.23 C ATOM 1244 CE2 PHE A 78 14.044 -8.546 -0.558 1.00 32.44 C ATOM 1245 CZ PHE A 78 12.888 -9.102 -0.045 1.00 13.30 C ATOM 0 H PHE A 78 12.852 -8.388 -6.906 1.00 12.05 H new ATOM 0 HA PHE A 78 11.731 -7.513 -4.307 1.00 13.22 H new ATOM 0 HB2 PHE A 78 13.185 -9.778 -4.738 1.00 51.52 H new ATOM 0 HB3 PHE A 78 14.490 -8.635 -4.492 1.00 51.52 H new ATOM 0 HD1 PHE A 78 11.321 -9.839 -2.934 1.00 33.10 H new ATOM 0 HD2 PHE A 78 15.123 -8.020 -2.321 1.00 2.44 H new ATOM 0 HE1 PHE A 78 11.005 -10.003 -0.504 1.00 34.23 H new ATOM 0 HE2 PHE A 78 14.811 -8.182 0.109 1.00 32.44 H new ATOM 0 HZ PHE A 78 12.749 -9.173 1.024 1.00 13.30 H new ATOM 1255 N VAL A 79 13.184 -5.500 -4.152 1.00 73.32 N ATOM 1256 CA VAL A 79 13.903 -4.232 -4.160 1.00 22.21 C ATOM 1257 C VAL A 79 14.326 -3.832 -2.751 1.00 43.21 C ATOM 1258 O VAL A 79 13.869 -4.413 -1.766 1.00 40.33 O ATOM 1259 CB VAL A 79 13.047 -3.105 -4.767 1.00 2.20 C ATOM 1260 CG1 VAL A 79 13.634 -2.643 -6.092 1.00 71.22 C ATOM 1261 CG2 VAL A 79 11.608 -3.565 -4.943 1.00 60.21 C ATOM 0 H VAL A 79 12.499 -5.592 -3.402 1.00 73.32 H new ATOM 0 HA VAL A 79 14.791 -4.375 -4.776 1.00 22.21 H new ATOM 0 HB VAL A 79 13.052 -2.259 -4.080 1.00 2.20 H new ATOM 0 HG11 VAL A 79 13.016 -1.846 -6.506 1.00 71.22 H new ATOM 0 HG12 VAL A 79 14.646 -2.271 -5.932 1.00 71.22 H new ATOM 0 HG13 VAL A 79 13.662 -3.480 -6.789 1.00 71.22 H new ATOM 0 HG21 VAL A 79 11.017 -2.756 -5.373 1.00 60.21 H new ATOM 0 HG22 VAL A 79 11.581 -4.428 -5.609 1.00 60.21 H new ATOM 0 HG23 VAL A 79 11.193 -3.841 -3.974 1.00 60.21 H new ATOM 1271 N ILE A 80 15.201 -2.836 -2.663 1.00 3.14 N ATOM 1272 CA ILE A 80 15.685 -2.357 -1.374 1.00 12.32 C ATOM 1273 C ILE A 80 15.940 -0.854 -1.407 1.00 3.32 C ATOM 1274 O ILE A 80 17.003 -0.402 -1.835 1.00 74.33 O ATOM 1275 CB ILE A 80 16.980 -3.077 -0.955 1.00 60.11 C ATOM 1276 CG1 ILE A 80 16.741 -4.585 -0.853 1.00 14.11 C ATOM 1277 CG2 ILE A 80 17.489 -2.525 0.368 1.00 30.32 C ATOM 1278 CD1 ILE A 80 18.015 -5.393 -0.750 1.00 71.52 C ATOM 0 H ILE A 80 15.589 -2.345 -3.469 1.00 3.14 H new ATOM 0 HA ILE A 80 14.906 -2.575 -0.644 1.00 12.32 H new ATOM 0 HB ILE A 80 17.739 -2.899 -1.716 1.00 60.11 H new ATOM 0 HG12 ILE A 80 16.120 -4.788 0.020 1.00 14.11 H new ATOM 0 HG13 ILE A 80 16.180 -4.916 -1.727 1.00 14.11 H new ATOM 0 HG21 ILE A 80 18.405 -3.044 0.651 1.00 30.32 H new ATOM 0 HG22 ILE A 80 17.693 -1.459 0.263 1.00 30.32 H new ATOM 0 HG23 ILE A 80 16.734 -2.675 1.140 1.00 30.32 H new ATOM 0 HD11 ILE A 80 17.769 -6.453 -0.681 1.00 71.52 H new ATOM 0 HD12 ILE A 80 18.628 -5.220 -1.634 1.00 71.52 H new ATOM 0 HD13 ILE A 80 18.567 -5.090 0.140 1.00 71.52 H new ATOM 1290 N LYS A 81 14.960 -0.082 -0.950 1.00 32.34 N ATOM 1291 CA LYS A 81 15.078 1.371 -0.923 1.00 32.30 C ATOM 1292 C LYS A 81 15.092 1.889 0.511 1.00 0.34 C ATOM 1293 O LYS A 81 14.371 1.383 1.372 1.00 42.24 O ATOM 1294 CB LYS A 81 13.923 2.011 -1.697 1.00 0.04 C ATOM 1295 CG LYS A 81 13.890 3.526 -1.596 1.00 41.35 C ATOM 1296 CD LYS A 81 12.472 4.043 -1.425 1.00 15.12 C ATOM 1297 CE LYS A 81 12.446 5.554 -1.256 1.00 55.53 C ATOM 1298 NZ LYS A 81 11.156 6.026 -0.680 1.00 52.35 N ATOM 0 H LYS A 81 14.074 -0.439 -0.593 1.00 32.34 H new ATOM 0 HA LYS A 81 16.021 1.643 -1.398 1.00 32.30 H new ATOM 0 HB2 LYS A 81 13.998 1.727 -2.747 1.00 0.04 H new ATOM 0 HB3 LYS A 81 12.980 1.610 -1.325 1.00 0.04 H new ATOM 0 HG2 LYS A 81 14.500 3.849 -0.752 1.00 41.35 H new ATOM 0 HG3 LYS A 81 14.331 3.961 -2.493 1.00 41.35 H new ATOM 0 HD2 LYS A 81 11.874 3.763 -2.292 1.00 15.12 H new ATOM 0 HD3 LYS A 81 12.014 3.571 -0.556 1.00 15.12 H new ATOM 0 HE2 LYS A 81 13.267 5.861 -0.608 1.00 55.53 H new ATOM 0 HE3 LYS A 81 12.608 6.030 -2.223 1.00 55.53 H new ATOM 0 HZ1 LYS A 81 11.178 7.061 -0.581 1.00 52.35 H new ATOM 0 HZ2 LYS A 81 10.375 5.755 -1.311 1.00 52.35 H new ATOM 0 HZ3 LYS A 81 11.013 5.592 0.254 1.00 52.35 H new ATOM 1312 N ASP A 82 15.915 2.901 0.762 1.00 43.44 N ATOM 1313 CA ASP A 82 16.021 3.490 2.091 1.00 1.25 C ATOM 1314 C ASP A 82 16.102 2.406 3.161 1.00 25.41 C ATOM 1315 O ASP A 82 15.532 2.542 4.242 1.00 32.34 O ATOM 1316 CB ASP A 82 14.826 4.404 2.364 1.00 14.34 C ATOM 1317 CG ASP A 82 14.912 5.713 1.604 1.00 73.24 C ATOM 1318 OD1 ASP A 82 15.391 5.699 0.450 1.00 22.43 O ATOM 1319 OD2 ASP A 82 14.499 6.751 2.161 1.00 31.01 O ATOM 0 H ASP A 82 16.519 3.331 0.061 1.00 43.44 H new ATOM 0 HA ASP A 82 16.936 4.081 2.127 1.00 1.25 H new ATOM 0 HB2 ASP A 82 13.907 3.887 2.088 1.00 14.34 H new ATOM 0 HB3 ASP A 82 14.767 4.611 3.433 1.00 14.34 H new ATOM 1324 N GLY A 83 16.816 1.327 2.850 1.00 13.24 N ATOM 1325 CA GLY A 83 16.958 0.234 3.795 1.00 55.34 C ATOM 1326 C GLY A 83 15.622 -0.261 4.314 1.00 41.53 C ATOM 1327 O GLY A 83 15.505 -0.648 5.477 1.00 74.21 O ATOM 0 H GLY A 83 17.298 1.191 1.961 1.00 13.24 H new ATOM 0 HA2 GLY A 83 17.486 -0.590 3.316 1.00 55.34 H new ATOM 0 HA3 GLY A 83 17.572 0.561 4.634 1.00 55.34 H new ATOM 1331 N LEU A 84 14.612 -0.246 3.451 1.00 30.40 N ATOM 1332 CA LEU A 84 13.277 -0.696 3.829 1.00 14.21 C ATOM 1333 C LEU A 84 13.017 -2.113 3.328 1.00 53.21 C ATOM 1334 O LEU A 84 12.967 -3.060 4.111 1.00 15.14 O ATOM 1335 CB LEU A 84 12.219 0.257 3.270 1.00 51.33 C ATOM 1336 CG LEU A 84 12.049 1.582 4.014 1.00 52.34 C ATOM 1337 CD1 LEU A 84 11.495 2.650 3.083 1.00 74.32 C ATOM 1338 CD2 LEU A 84 11.142 1.403 5.222 1.00 33.22 C ATOM 0 H LEU A 84 14.692 0.073 2.485 1.00 30.40 H new ATOM 0 HA LEU A 84 13.216 -0.699 4.917 1.00 14.21 H new ATOM 0 HB2 LEU A 84 12.468 0.476 2.232 1.00 51.33 H new ATOM 0 HB3 LEU A 84 11.259 -0.260 3.265 1.00 51.33 H new ATOM 0 HG LEU A 84 13.028 1.907 4.365 1.00 52.34 H new ATOM 0 HD11 LEU A 84 11.381 3.586 3.630 1.00 74.32 H new ATOM 0 HD12 LEU A 84 12.182 2.798 2.250 1.00 74.32 H new ATOM 0 HD13 LEU A 84 10.525 2.332 2.701 1.00 74.32 H new ATOM 0 HD21 LEU A 84 11.033 2.356 5.739 1.00 33.22 H new ATOM 0 HD22 LEU A 84 10.163 1.054 4.893 1.00 33.22 H new ATOM 0 HD23 LEU A 84 11.580 0.670 5.900 1.00 33.22 H new ATOM 1350 N GLY A 85 12.854 -2.250 2.015 1.00 21.54 N ATOM 1351 CA GLY A 85 12.604 -3.555 1.432 1.00 74.32 C ATOM 1352 C GLY A 85 11.226 -3.657 0.808 1.00 14.15 C ATOM 1353 O GLY A 85 10.221 -3.738 1.516 1.00 41.41 O ATOM 0 H GLY A 85 12.891 -1.481 1.346 1.00 21.54 H new ATOM 0 HA2 GLY A 85 13.359 -3.761 0.673 1.00 74.32 H new ATOM 0 HA3 GLY A 85 12.708 -4.320 2.202 1.00 74.32 H new ATOM 1357 N TYR A 86 11.177 -3.651 -0.519 1.00 33.31 N ATOM 1358 CA TYR A 86 9.911 -3.739 -1.237 1.00 61.45 C ATOM 1359 C TYR A 86 9.884 -4.965 -2.145 1.00 60.41 C ATOM 1360 O TYR A 86 10.896 -5.645 -2.319 1.00 73.03 O ATOM 1361 CB TYR A 86 9.681 -2.473 -2.065 1.00 21.53 C ATOM 1362 CG TYR A 86 9.547 -1.220 -1.229 1.00 73.34 C ATOM 1363 CD1 TYR A 86 10.659 -0.631 -0.642 1.00 10.42 C ATOM 1364 CD2 TYR A 86 8.307 -0.626 -1.029 1.00 1.44 C ATOM 1365 CE1 TYR A 86 10.541 0.514 0.123 1.00 75.23 C ATOM 1366 CE2 TYR A 86 8.179 0.520 -0.267 1.00 23.23 C ATOM 1367 CZ TYR A 86 9.299 1.085 0.307 1.00 12.42 C ATOM 1368 OH TYR A 86 9.177 2.226 1.067 1.00 52.21 O ATOM 0 H TYR A 86 11.999 -3.586 -1.119 1.00 33.31 H new ATOM 0 HA TYR A 86 9.112 -3.835 -0.502 1.00 61.45 H new ATOM 0 HB2 TYR A 86 10.510 -2.348 -2.761 1.00 21.53 H new ATOM 0 HB3 TYR A 86 8.779 -2.599 -2.663 1.00 21.53 H new ATOM 0 HD1 TYR A 86 11.633 -1.075 -0.786 1.00 10.42 H new ATOM 0 HD2 TYR A 86 7.429 -1.067 -1.476 1.00 1.44 H new ATOM 0 HE1 TYR A 86 11.416 0.959 0.574 1.00 75.23 H new ATOM 0 HE2 TYR A 86 7.208 0.970 -0.122 1.00 23.23 H new ATOM 0 HH TYR A 86 8.237 2.500 1.097 1.00 52.21 H new ATOM 1378 N ARG A 87 8.719 -5.241 -2.721 1.00 73.15 N ATOM 1379 CA ARG A 87 8.558 -6.385 -3.611 1.00 40.10 C ATOM 1380 C ARG A 87 7.168 -6.392 -4.241 1.00 64.53 C ATOM 1381 O ARG A 87 6.173 -6.115 -3.573 1.00 73.15 O ATOM 1382 CB ARG A 87 8.790 -7.689 -2.846 1.00 71.42 C ATOM 1383 CG ARG A 87 8.418 -8.933 -3.637 1.00 24.22 C ATOM 1384 CD ARG A 87 7.574 -9.889 -2.808 1.00 43.30 C ATOM 1385 NE ARG A 87 8.372 -10.604 -1.816 1.00 63.41 N ATOM 1386 CZ ARG A 87 7.850 -11.248 -0.778 1.00 72.44 C ATOM 1387 NH1 ARG A 87 6.536 -11.266 -0.598 1.00 64.51 N ATOM 1388 NH2 ARG A 87 8.642 -11.877 0.081 1.00 14.53 N ATOM 0 H ARG A 87 7.872 -4.688 -2.588 1.00 73.15 H new ATOM 0 HA ARG A 87 9.298 -6.302 -4.407 1.00 40.10 H new ATOM 0 HB2 ARG A 87 9.840 -7.751 -2.560 1.00 71.42 H new ATOM 0 HB3 ARG A 87 8.209 -7.668 -1.924 1.00 71.42 H new ATOM 0 HG2 ARG A 87 7.869 -8.645 -4.533 1.00 24.22 H new ATOM 0 HG3 ARG A 87 9.325 -9.440 -3.968 1.00 24.22 H new ATOM 0 HD2 ARG A 87 6.784 -9.332 -2.304 1.00 43.30 H new ATOM 0 HD3 ARG A 87 7.087 -10.607 -3.467 1.00 43.30 H new ATOM 0 HE ARG A 87 9.386 -10.609 -1.926 1.00 63.41 H new ATOM 0 HH11 ARG A 87 5.924 -10.785 -1.257 1.00 64.51 H new ATOM 0 HH12 ARG A 87 6.137 -11.761 0.200 1.00 64.51 H new ATOM 0 HH21 ARG A 87 9.653 -11.866 -0.055 1.00 14.53 H new ATOM 0 HH22 ARG A 87 8.240 -12.371 0.878 1.00 14.53 H new ATOM 1402 N GLN A 88 7.111 -6.711 -5.530 1.00 73.23 N ATOM 1403 CA GLN A 88 5.843 -6.753 -6.250 1.00 64.43 C ATOM 1404 C GLN A 88 5.171 -8.113 -6.089 1.00 51.35 C ATOM 1405 O GLN A 88 5.837 -9.123 -5.866 1.00 64.53 O ATOM 1406 CB GLN A 88 6.065 -6.453 -7.734 1.00 22.23 C ATOM 1407 CG GLN A 88 4.797 -6.050 -8.469 1.00 62.21 C ATOM 1408 CD GLN A 88 4.486 -4.573 -8.329 1.00 74.30 C ATOM 1409 OE1 GLN A 88 4.898 -3.929 -7.364 1.00 53.11 O ATOM 1410 NE2 GLN A 88 3.754 -4.028 -9.294 1.00 64.11 N ATOM 0 H GLN A 88 7.926 -6.944 -6.097 1.00 73.23 H new ATOM 0 HA GLN A 88 5.188 -5.992 -5.827 1.00 64.43 H new ATOM 0 HB2 GLN A 88 6.800 -5.653 -7.829 1.00 22.23 H new ATOM 0 HB3 GLN A 88 6.489 -7.334 -8.215 1.00 22.23 H new ATOM 0 HG2 GLN A 88 4.900 -6.297 -9.526 1.00 62.21 H new ATOM 0 HG3 GLN A 88 3.959 -6.632 -8.086 1.00 62.21 H new ATOM 0 HE21 GLN A 88 3.434 -4.600 -10.076 1.00 64.11 H new ATOM 0 HE22 GLN A 88 3.512 -3.038 -9.253 1.00 64.11 H new ATOM 1419 N ASP A 89 3.848 -8.130 -6.204 1.00 15.42 N ATOM 1420 CA ASP A 89 3.084 -9.365 -6.072 1.00 23.22 C ATOM 1421 C ASP A 89 2.004 -9.454 -7.145 1.00 15.43 C ATOM 1422 O ASP A 89 2.047 -8.737 -8.144 1.00 22.50 O ATOM 1423 CB ASP A 89 2.450 -9.452 -4.683 1.00 11.12 C ATOM 1424 CG ASP A 89 1.000 -9.011 -4.680 1.00 55.32 C ATOM 1425 OD1 ASP A 89 0.728 -7.862 -5.088 1.00 65.34 O ATOM 1426 OD2 ASP A 89 0.135 -9.814 -4.269 1.00 44.51 O ATOM 0 H ASP A 89 3.282 -7.302 -6.389 1.00 15.42 H new ATOM 0 HA ASP A 89 3.769 -10.202 -6.203 1.00 23.22 H new ATOM 0 HB2 ASP A 89 2.515 -10.478 -4.321 1.00 11.12 H new ATOM 0 HB3 ASP A 89 3.017 -8.832 -3.989 1.00 11.12 H new ATOM 1431 N ASN A 90 1.035 -10.338 -6.930 1.00 71.12 N ATOM 1432 CA ASN A 90 -0.057 -10.522 -7.880 1.00 4.51 C ATOM 1433 C ASN A 90 0.364 -11.443 -9.021 1.00 31.34 C ATOM 1434 O ASN A 90 -0.417 -12.276 -9.480 1.00 24.13 O ATOM 1435 CB ASN A 90 -0.505 -9.170 -8.440 1.00 74.31 C ATOM 1436 CG ASN A 90 -2.014 -9.063 -8.552 1.00 10.15 C ATOM 1437 OD1 ASN A 90 -2.619 -9.603 -9.478 1.00 12.03 O ATOM 1438 ND2 ASN A 90 -2.629 -8.363 -7.605 1.00 44.22 N ATOM 0 H ASN A 90 0.983 -10.938 -6.107 1.00 71.12 H new ATOM 0 HA ASN A 90 -0.891 -10.985 -7.352 1.00 4.51 H new ATOM 0 HB2 ASN A 90 -0.133 -8.372 -7.797 1.00 74.31 H new ATOM 0 HB3 ASN A 90 -0.059 -9.021 -9.423 1.00 74.31 H new ATOM 0 HD21 ASN A 90 -3.643 -8.256 -7.627 1.00 44.22 H new ATOM 0 HD22 ASN A 90 -2.087 -7.932 -6.856 1.00 44.22 H new ATOM 1445 N GLY A 91 1.604 -11.288 -9.473 1.00 44.24 N ATOM 1446 CA GLY A 91 2.108 -12.113 -10.556 1.00 52.20 C ATOM 1447 C GLY A 91 1.120 -12.234 -11.700 1.00 23.34 C ATOM 1448 O GLY A 91 0.460 -13.262 -11.851 1.00 3.31 O ATOM 0 H GLY A 91 2.269 -10.606 -9.109 1.00 44.24 H new ATOM 0 HA2 GLY A 91 3.040 -11.689 -10.928 1.00 52.20 H new ATOM 0 HA3 GLY A 91 2.340 -13.107 -10.174 1.00 52.20 H new ATOM 1452 N GLU A 92 1.018 -11.182 -12.505 1.00 52.05 N ATOM 1453 CA GLU A 92 0.101 -11.176 -13.640 1.00 2.55 C ATOM 1454 C GLU A 92 0.306 -9.930 -14.498 1.00 21.34 C ATOM 1455 O GLU A 92 0.036 -8.812 -14.061 1.00 14.41 O ATOM 1456 CB GLU A 92 -1.348 -11.240 -13.153 1.00 20.12 C ATOM 1457 CG GLU A 92 -2.367 -11.274 -14.279 1.00 74.40 C ATOM 1458 CD GLU A 92 -3.783 -11.033 -13.792 1.00 70.50 C ATOM 1459 OE1 GLU A 92 -3.977 -10.128 -12.955 1.00 11.41 O ATOM 1460 OE2 GLU A 92 -4.697 -11.752 -14.249 1.00 11.41 O ATOM 0 H GLU A 92 1.558 -10.324 -12.393 1.00 52.05 H new ATOM 0 HA GLU A 92 0.311 -12.055 -14.249 1.00 2.55 H new ATOM 0 HB2 GLU A 92 -1.475 -12.127 -12.532 1.00 20.12 H new ATOM 0 HB3 GLU A 92 -1.548 -10.376 -12.519 1.00 20.12 H new ATOM 0 HG2 GLU A 92 -2.108 -10.518 -15.021 1.00 74.40 H new ATOM 0 HG3 GLU A 92 -2.318 -12.241 -14.779 1.00 74.40 H new ATOM 1467 N TRP A 93 0.786 -10.134 -15.719 1.00 52.31 N ATOM 1468 CA TRP A 93 1.028 -9.028 -16.639 1.00 11.22 C ATOM 1469 C TRP A 93 0.911 -9.489 -18.087 1.00 51.14 C ATOM 1470 O TRP A 93 1.748 -10.247 -18.578 1.00 43.34 O ATOM 1471 CB TRP A 93 2.412 -8.426 -16.392 1.00 64.23 C ATOM 1472 CG TRP A 93 2.522 -7.705 -15.083 1.00 42.12 C ATOM 1473 CD1 TRP A 93 2.106 -6.433 -14.811 1.00 34.23 C ATOM 1474 CD2 TRP A 93 3.087 -8.213 -13.870 1.00 2.24 C ATOM 1475 NE1 TRP A 93 2.378 -6.120 -13.501 1.00 14.13 N ATOM 1476 CE2 TRP A 93 2.979 -7.195 -12.902 1.00 32.13 C ATOM 1477 CE3 TRP A 93 3.672 -9.429 -13.506 1.00 0.32 C ATOM 1478 CZ2 TRP A 93 3.435 -7.358 -11.596 1.00 61.14 C ATOM 1479 CZ3 TRP A 93 4.125 -9.589 -12.210 1.00 14.30 C ATOM 1480 CH2 TRP A 93 4.004 -8.559 -11.268 1.00 14.42 C ATOM 0 H TRP A 93 1.015 -11.054 -16.095 1.00 52.31 H new ATOM 0 HA TRP A 93 0.271 -8.265 -16.458 1.00 11.22 H new ATOM 0 HB2 TRP A 93 3.157 -9.221 -16.424 1.00 64.23 H new ATOM 0 HB3 TRP A 93 2.649 -7.734 -17.200 1.00 64.23 H new ATOM 0 HD1 TRP A 93 1.633 -5.771 -15.521 1.00 34.23 H new ATOM 0 HE1 TRP A 93 2.167 -5.231 -13.048 1.00 14.13 H new ATOM 0 HE3 TRP A 93 3.768 -10.229 -14.225 1.00 0.32 H new ATOM 0 HZ2 TRP A 93 3.343 -6.565 -10.868 1.00 61.14 H new ATOM 0 HZ3 TRP A 93 4.580 -10.524 -11.918 1.00 14.30 H new ATOM 0 HH2 TRP A 93 4.367 -8.716 -10.263 1.00 14.42 H new ATOM 1491 N THR A 94 -0.133 -9.027 -18.769 1.00 33.24 N ATOM 1492 CA THR A 94 -0.360 -9.393 -20.161 1.00 20.31 C ATOM 1493 C THR A 94 0.473 -8.528 -21.100 1.00 23.25 C ATOM 1494 O THR A 94 0.560 -7.312 -20.927 1.00 34.41 O ATOM 1495 CB THR A 94 -1.846 -9.260 -20.542 1.00 54.31 C ATOM 1496 OG1 THR A 94 -2.638 -10.148 -19.745 1.00 53.51 O ATOM 1497 CG2 THR A 94 -2.057 -9.570 -22.017 1.00 1.55 C ATOM 0 H THR A 94 -0.835 -8.398 -18.379 1.00 33.24 H new ATOM 0 HA THR A 94 -0.057 -10.435 -20.267 1.00 20.31 H new ATOM 0 HB THR A 94 -2.155 -8.232 -20.355 1.00 54.31 H new ATOM 0 HG1 THR A 94 -3.582 -10.056 -19.992 1.00 53.51 H new ATOM 0 HG21 THR A 94 -3.114 -9.469 -22.262 1.00 1.55 H new ATOM 0 HG22 THR A 94 -1.476 -8.874 -22.622 1.00 1.55 H new ATOM 0 HG23 THR A 94 -1.732 -10.589 -22.225 1.00 1.55 H new ATOM 1505 N VAL A 95 1.085 -9.163 -22.094 1.00 45.44 N ATOM 1506 CA VAL A 95 1.911 -8.450 -23.062 1.00 70.13 C ATOM 1507 C VAL A 95 1.065 -7.526 -23.932 1.00 22.45 C ATOM 1508 O VAL A 95 0.283 -7.985 -24.763 1.00 65.45 O ATOM 1509 CB VAL A 95 2.682 -9.427 -23.970 1.00 31.34 C ATOM 1510 CG1 VAL A 95 3.631 -8.670 -24.885 1.00 43.24 C ATOM 1511 CG2 VAL A 95 3.437 -10.448 -23.132 1.00 60.31 C ATOM 0 H VAL A 95 1.025 -10.169 -22.250 1.00 45.44 H new ATOM 0 HA VAL A 95 2.624 -7.855 -22.492 1.00 70.13 H new ATOM 0 HB VAL A 95 1.964 -9.961 -24.593 1.00 31.34 H new ATOM 0 HG11 VAL A 95 4.167 -9.377 -25.519 1.00 43.24 H new ATOM 0 HG12 VAL A 95 3.062 -7.981 -25.510 1.00 43.24 H new ATOM 0 HG13 VAL A 95 4.346 -8.108 -24.284 1.00 43.24 H new ATOM 0 HG21 VAL A 95 3.976 -11.131 -23.789 1.00 60.31 H new ATOM 0 HG22 VAL A 95 4.145 -9.933 -22.483 1.00 60.31 H new ATOM 0 HG23 VAL A 95 2.731 -11.013 -22.523 1.00 60.31 H new ATOM 1521 N GLU A 96 1.228 -6.222 -23.733 1.00 22.15 N ATOM 1522 CA GLU A 96 0.479 -5.234 -24.499 1.00 14.42 C ATOM 1523 C GLU A 96 1.414 -4.190 -25.103 1.00 70.43 C ATOM 1524 O GLU A 96 0.982 -3.110 -25.502 1.00 75.04 O ATOM 1525 CB GLU A 96 -0.561 -4.548 -23.610 1.00 73.20 C ATOM 1526 CG GLU A 96 -1.407 -5.519 -22.803 1.00 52.03 C ATOM 1527 CD GLU A 96 -2.836 -5.043 -22.630 1.00 54.20 C ATOM 1528 OE1 GLU A 96 -3.408 -4.512 -23.605 1.00 3.40 O ATOM 1529 OE2 GLU A 96 -3.383 -5.202 -21.519 1.00 14.14 O ATOM 0 H GLU A 96 1.872 -5.826 -23.048 1.00 22.15 H new ATOM 0 HA GLU A 96 -0.031 -5.753 -25.310 1.00 14.42 H new ATOM 0 HB2 GLU A 96 -0.051 -3.869 -22.927 1.00 73.20 H new ATOM 0 HB3 GLU A 96 -1.216 -3.940 -24.234 1.00 73.20 H new ATOM 0 HG2 GLU A 96 -1.409 -6.491 -23.297 1.00 52.03 H new ATOM 0 HG3 GLU A 96 -0.954 -5.661 -21.822 1.00 52.03 H new ATOM 1536 N GLY A 97 2.700 -4.523 -25.167 1.00 11.44 N ATOM 1537 CA GLY A 97 3.677 -3.605 -25.722 1.00 52.35 C ATOM 1538 C GLY A 97 4.623 -4.283 -26.693 1.00 51.23 C ATOM 1539 O GLY A 97 4.496 -5.477 -26.963 1.00 71.34 O ATOM 0 H GLY A 97 3.082 -5.412 -24.844 1.00 11.44 H new ATOM 0 HA2 GLY A 97 3.159 -2.792 -26.232 1.00 52.35 H new ATOM 0 HA3 GLY A 97 4.252 -3.158 -24.911 1.00 52.35 H new ATOM 1543 N PHE A 98 5.574 -3.519 -27.221 1.00 71.42 N ATOM 1544 CA PHE A 98 6.544 -4.053 -28.170 1.00 70.22 C ATOM 1545 C PHE A 98 7.850 -3.265 -28.115 1.00 34.34 C ATOM 1546 O PHE A 98 7.875 -2.114 -27.680 1.00 51.31 O ATOM 1547 CB PHE A 98 5.974 -4.017 -29.590 1.00 34.34 C ATOM 1548 CG PHE A 98 6.082 -5.329 -30.312 1.00 73.54 C ATOM 1549 CD1 PHE A 98 5.437 -6.457 -29.829 1.00 54.33 C ATOM 1550 CD2 PHE A 98 6.828 -5.436 -31.475 1.00 53.30 C ATOM 1551 CE1 PHE A 98 5.535 -7.665 -30.492 1.00 62.41 C ATOM 1552 CE2 PHE A 98 6.930 -6.642 -32.142 1.00 55.15 C ATOM 1553 CZ PHE A 98 6.281 -7.758 -31.651 1.00 4.13 C ATOM 0 H PHE A 98 5.693 -2.529 -27.008 1.00 71.42 H new ATOM 0 HA PHE A 98 6.752 -5.087 -27.895 1.00 70.22 H new ATOM 0 HB2 PHE A 98 4.926 -3.721 -29.545 1.00 34.34 H new ATOM 0 HB3 PHE A 98 6.497 -3.252 -30.164 1.00 34.34 H new ATOM 0 HD1 PHE A 98 4.851 -6.391 -28.924 1.00 54.33 H new ATOM 0 HD2 PHE A 98 7.336 -4.566 -31.865 1.00 53.30 H new ATOM 0 HE1 PHE A 98 5.029 -8.537 -30.104 1.00 62.41 H new ATOM 0 HE2 PHE A 98 7.517 -6.712 -33.046 1.00 55.15 H new ATOM 0 HZ PHE A 98 6.357 -8.701 -32.172 1.00 4.13 H new ATOM 1563 N VAL A 99 8.933 -3.895 -28.557 1.00 62.23 N ATOM 1564 CA VAL A 99 10.243 -3.254 -28.559 1.00 32.30 C ATOM 1565 C VAL A 99 11.234 -4.031 -29.418 1.00 72.41 C ATOM 1566 O VAL A 99 10.994 -5.187 -29.769 1.00 24.03 O ATOM 1567 CB VAL A 99 10.807 -3.127 -27.131 1.00 62.15 C ATOM 1568 CG1 VAL A 99 10.722 -1.687 -26.650 1.00 4.30 C ATOM 1569 CG2 VAL A 99 10.070 -4.059 -26.182 1.00 73.54 C ATOM 0 H VAL A 99 8.930 -4.849 -28.918 1.00 62.23 H new ATOM 0 HA VAL A 99 10.107 -2.257 -28.979 1.00 32.30 H new ATOM 0 HB VAL A 99 11.857 -3.419 -27.147 1.00 62.15 H new ATOM 0 HG11 VAL A 99 11.125 -1.617 -25.640 1.00 4.30 H new ATOM 0 HG12 VAL A 99 11.299 -1.046 -27.316 1.00 4.30 H new ATOM 0 HG13 VAL A 99 9.681 -1.365 -26.649 1.00 4.30 H new ATOM 0 HG21 VAL A 99 10.482 -3.956 -25.178 1.00 73.54 H new ATOM 0 HG22 VAL A 99 9.011 -3.801 -26.168 1.00 73.54 H new ATOM 0 HG23 VAL A 99 10.188 -5.089 -26.519 1.00 73.54 H new ATOM 1579 N ASP A 100 12.348 -3.390 -29.754 1.00 15.33 N ATOM 1580 CA ASP A 100 13.377 -4.021 -30.571 1.00 61.10 C ATOM 1581 C ASP A 100 14.751 -3.870 -29.926 1.00 44.14 C ATOM 1582 O ASP A 100 15.141 -2.774 -29.524 1.00 32.33 O ATOM 1583 CB ASP A 100 13.389 -3.413 -31.974 1.00 55.23 C ATOM 1584 CG ASP A 100 12.021 -3.441 -32.629 1.00 3.24 C ATOM 1585 OD1 ASP A 100 11.166 -4.234 -32.182 1.00 45.11 O ATOM 1586 OD2 ASP A 100 11.806 -2.670 -33.588 1.00 22.21 O ATOM 0 H ASP A 100 12.561 -2.433 -29.473 1.00 15.33 H new ATOM 0 HA ASP A 100 13.145 -5.083 -30.646 1.00 61.10 H new ATOM 0 HB2 ASP A 100 13.741 -2.383 -31.917 1.00 55.23 H new ATOM 0 HB3 ASP A 100 14.098 -3.958 -32.597 1.00 55.23 H new ATOM 1591 N GLU A 101 15.480 -4.978 -29.832 1.00 2.45 N ATOM 1592 CA GLU A 101 16.810 -4.967 -29.234 1.00 21.43 C ATOM 1593 C GLU A 101 17.868 -4.590 -30.267 1.00 0.13 C ATOM 1594 O GLU A 101 18.868 -5.288 -30.430 1.00 4.23 O ATOM 1595 CB GLU A 101 17.134 -6.337 -28.633 1.00 1.21 C ATOM 1596 CG GLU A 101 18.206 -6.291 -27.557 1.00 64.33 C ATOM 1597 CD GLU A 101 17.959 -5.202 -26.532 1.00 53.33 C ATOM 1598 OE1 GLU A 101 16.794 -5.032 -26.115 1.00 61.41 O ATOM 1599 OE2 GLU A 101 18.931 -4.518 -26.147 1.00 74.32 O ATOM 0 H GLU A 101 15.173 -5.893 -30.162 1.00 2.45 H new ATOM 0 HA GLU A 101 16.818 -4.219 -28.441 1.00 21.43 H new ATOM 0 HB2 GLU A 101 16.224 -6.763 -28.210 1.00 1.21 H new ATOM 0 HB3 GLU A 101 17.459 -7.006 -29.430 1.00 1.21 H new ATOM 0 HG2 GLU A 101 18.250 -7.256 -27.052 1.00 64.33 H new ATOM 0 HG3 GLU A 101 19.178 -6.131 -28.024 1.00 64.33 H new ATOM 1606 N ALA A 102 17.638 -3.481 -30.962 1.00 43.20 N ATOM 1607 CA ALA A 102 18.571 -3.009 -31.978 1.00 21.21 C ATOM 1608 C ALA A 102 18.657 -1.487 -31.980 1.00 3.34 C ATOM 1609 O ALA A 102 17.732 -0.804 -32.420 1.00 13.42 O ATOM 1610 CB ALA A 102 18.158 -3.518 -33.351 1.00 13.10 C ATOM 0 H ALA A 102 16.814 -2.893 -30.840 1.00 43.20 H new ATOM 0 HA ALA A 102 19.559 -3.402 -31.739 1.00 21.21 H new ATOM 0 HB1 ALA A 102 18.863 -3.158 -34.100 1.00 13.10 H new ATOM 0 HB2 ALA A 102 18.155 -4.608 -33.349 1.00 13.10 H new ATOM 0 HB3 ALA A 102 17.159 -3.153 -33.589 1.00 13.10 H new TER 1616 ALA A 102