USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 908 hydrogens (13 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 NoAdj-H: A 118 ALY H2 : A 118 ALY N : A 117 ALA C :(H bumps) USER MOD Set 1.1: A 7 ASN : amide:sc= -8.24! C(o=-27!,f=-35!) USER MOD Set 1.2: A 10 THR OG1 : rot -169:sc= -1.79! USER MOD Set 1.3: A 115 TYR OH : rot -9:sc= 0.846 USER MOD Set 1.4: A 116 ASN : amide:sc= -17.9! C(o=-27!,f=-32!) USER MOD Set 2.1: A 5 TYR OH : rot 61:sc= -0.735! USER MOD Set 2.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 76:sc= 1.21 USER MOD Single : A 14 GLN : amide:sc= -0.375 X(o=-0.37,f=-0.1) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 99:sc= 0.731 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 160:sc= -9.46! (180deg=-11.9!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.56) USER MOD Single : A 62 SER OG : rot 180:sc= -0.125 USER MOD Single : A 70 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.9!) USER MOD Single : A 73 SER OG : rot -62:sc= 1.14 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc= -1.4 F(o=-3.2!,f=-1.4) USER MOD Single : A 86 GLN : amide:sc= -0.318 K(o=-0.32,f=-1.1) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -104:sc= 0.111 USER MOD Single : A 105 SER OG : rot 180:sc=-0.00732 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= -28.5! C(o=-29!,f=-30!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN :FLIP amide:sc= 0.688 F(o=0,f=0.69) USER MOD Single : A 125 ASN :FLIP amide:sc= -0.228 F(o=-1.2,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -20.050 -15.167 13.278 1.00 3.92 N ATOM 2 CA PRO A 1 -18.626 -15.584 13.159 1.00 3.44 C ATOM 3 C PRO A 1 -17.704 -14.369 13.290 1.00 3.50 C ATOM 4 O PRO A 1 -17.050 -13.967 12.346 1.00 4.94 O ATOM 5 CB PRO A 1 -18.536 -16.186 11.761 1.00 2.00 C ATOM 6 CG PRO A 1 -19.644 -15.543 10.993 1.00 4.99 C ATOM 7 CD PRO A 1 -20.733 -15.211 11.982 1.00 3.38 C ATOM 0 H2 PRO A 1 -20.098 -14.221 13.657 1.00 3.92 H new ATOM 0 H3 PRO A 1 -20.531 -15.778 13.938 1.00 3.92 H new ATOM 0 HA PRO A 1 -18.321 -16.286 13.935 1.00 3.44 H new ATOM 0 HB2 PRO A 1 -17.568 -15.981 11.304 1.00 2.00 H new ATOM 0 HB3 PRO A 1 -18.652 -17.269 11.789 1.00 2.00 H new ATOM 0 HG2 PRO A 1 -19.292 -14.642 10.490 1.00 4.99 H new ATOM 0 HG3 PRO A 1 -20.017 -16.214 10.220 1.00 4.99 H new ATOM 0 HD2 PRO A 1 -21.204 -14.256 11.749 1.00 3.38 H new ATOM 0 HD3 PRO A 1 -21.520 -15.965 11.974 1.00 3.38 H new ATOM 17 N THR A 2 -17.651 -13.781 14.453 1.00 3.08 N ATOM 18 CA THR A 2 -16.776 -12.590 14.648 1.00 2.08 C ATOM 19 C THR A 2 -15.561 -12.960 15.503 1.00 2.52 C ATOM 20 O THR A 2 -15.689 -13.376 16.636 1.00 2.28 O ATOM 21 CB THR A 2 -17.655 -11.571 15.374 1.00 3.47 C ATOM 22 OG1 THR A 2 -18.820 -11.317 14.600 1.00 3.73 O ATOM 23 CG2 THR A 2 -16.874 -10.270 15.569 1.00 3.09 C ATOM 0 H THR A 2 -18.176 -14.074 15.277 1.00 3.08 H new ATOM 0 HA THR A 2 -16.392 -12.199 13.706 1.00 2.08 H new ATOM 0 HB THR A 2 -17.945 -11.967 16.347 1.00 3.47 H new ATOM 0 HG1 THR A 2 -19.386 -10.665 15.064 1.00 3.73 H new ATOM 0 HG21 THR A 2 -17.501 -9.544 16.087 1.00 3.09 H new ATOM 0 HG22 THR A 2 -15.981 -10.467 16.162 1.00 3.09 H new ATOM 0 HG23 THR A 2 -16.583 -9.871 14.597 1.00 3.09 H new ATOM 31 N VAL A 3 -14.381 -12.809 14.967 1.00 10.00 N ATOM 32 CA VAL A 3 -13.158 -13.148 15.748 1.00 10.00 C ATOM 33 C VAL A 3 -12.354 -11.878 16.038 1.00 10.00 C ATOM 34 O VAL A 3 -11.840 -11.243 15.143 1.00 10.00 O ATOM 35 CB VAL A 3 -12.364 -14.094 14.846 1.00 10.00 C ATOM 36 CG1 VAL A 3 -11.083 -14.530 15.561 1.00 10.00 C ATOM 37 CG2 VAL A 3 -13.214 -15.326 14.523 1.00 10.00 C ATOM 0 H VAL A 3 -14.211 -12.465 14.022 1.00 10.00 H new ATOM 0 HA VAL A 3 -13.391 -13.604 16.710 1.00 10.00 H new ATOM 0 HB VAL A 3 -12.105 -13.579 13.921 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -10.518 -15.204 14.917 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -10.477 -13.653 15.789 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -11.340 -15.044 16.487 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -12.648 -16.000 13.880 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -13.475 -15.840 15.448 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -14.125 -15.016 14.011 1.00 10.00 H new ATOM 47 N GLU A 4 -12.244 -11.496 17.280 1.00 10.00 N ATOM 48 CA GLU A 4 -11.477 -10.260 17.609 1.00 10.00 C ATOM 49 C GLU A 4 -9.985 -10.580 17.757 1.00 10.00 C ATOM 50 O GLU A 4 -9.582 -11.314 18.636 1.00 10.00 O ATOM 51 CB GLU A 4 -12.054 -9.777 18.939 1.00 50.00 C ATOM 52 CG GLU A 4 -12.023 -8.248 18.981 1.00 50.00 C ATOM 53 CD GLU A 4 -12.852 -7.751 20.168 1.00 50.00 C ATOM 54 OE1 GLU A 4 -12.993 -8.499 21.121 1.00 50.00 O ATOM 55 OE2 GLU A 4 -13.331 -6.631 20.103 1.00 50.00 O ATOM 0 H GLU A 4 -12.650 -11.983 18.079 1.00 10.00 H new ATOM 0 HA GLU A 4 -11.562 -9.505 16.828 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -13.077 -10.134 19.055 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -11.477 -10.186 19.768 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -10.995 -7.897 19.070 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -12.420 -7.840 18.051 1.00 50.00 H new ATOM 62 N TYR A 5 -9.162 -10.033 16.901 1.00 10.00 N ATOM 63 CA TYR A 5 -7.695 -10.307 16.999 1.00 10.00 C ATOM 64 C TYR A 5 -6.996 -9.205 17.808 1.00 10.00 C ATOM 65 O TYR A 5 -7.407 -8.062 17.804 1.00 10.00 O ATOM 66 CB TYR A 5 -7.188 -10.321 15.554 1.00 10.00 C ATOM 67 CG TYR A 5 -7.383 -8.962 14.922 1.00 10.00 C ATOM 68 CD1 TYR A 5 -6.385 -7.987 15.032 1.00 10.00 C ATOM 69 CD2 TYR A 5 -8.560 -8.681 14.219 1.00 10.00 C ATOM 70 CE1 TYR A 5 -6.566 -6.731 14.440 1.00 50.00 C ATOM 71 CE2 TYR A 5 -8.742 -7.426 13.629 1.00 50.00 C ATOM 72 CZ TYR A 5 -7.745 -6.451 13.739 1.00 50.00 C ATOM 73 OH TYR A 5 -7.927 -5.214 13.156 1.00 50.00 O ATOM 0 H TYR A 5 -9.439 -9.411 16.141 1.00 10.00 H new ATOM 0 HA TYR A 5 -7.490 -11.249 17.508 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -6.132 -10.592 15.533 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -7.723 -11.078 14.980 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -5.476 -8.203 15.573 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -9.329 -9.434 14.132 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -5.796 -5.978 14.524 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -9.652 -7.210 13.089 1.00 50.00 H new ATOM 0 HH TYR A 5 -7.225 -5.060 12.490 1.00 50.00 H new ATOM 83 N LEU A 6 -5.941 -9.544 18.504 1.00 10.00 N ATOM 84 CA LEU A 6 -5.211 -8.521 19.315 1.00 10.00 C ATOM 85 C LEU A 6 -3.708 -8.834 19.323 1.00 10.00 C ATOM 86 O LEU A 6 -3.289 -9.925 19.654 1.00 10.00 O ATOM 87 CB LEU A 6 -5.816 -8.627 20.724 1.00 12.50 C ATOM 88 CG LEU A 6 -4.940 -7.899 21.762 1.00 12.50 C ATOM 89 CD1 LEU A 6 -4.257 -6.678 21.136 1.00 50.00 C ATOM 90 CD2 LEU A 6 -5.815 -7.433 22.929 1.00 50.00 C ATOM 0 H LEU A 6 -5.552 -10.486 18.546 1.00 10.00 H new ATOM 0 HA LEU A 6 -5.314 -7.512 18.915 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -6.818 -8.199 20.726 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.917 -9.676 21.001 1.00 12.50 H new ATOM 0 HG LEU A 6 -4.175 -8.591 22.114 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -3.644 -6.179 21.887 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -3.626 -6.999 20.307 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -5.015 -5.986 20.768 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -5.197 -6.918 23.664 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.582 -6.753 22.559 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -6.290 -8.296 23.395 1.00 50.00 H new ATOM 102 N ASN A 7 -2.899 -7.882 18.939 1.00 10.00 N ATOM 103 CA ASN A 7 -1.422 -8.107 18.897 1.00 10.00 C ATOM 104 C ASN A 7 -0.857 -8.421 20.283 1.00 10.00 C ATOM 105 O ASN A 7 -0.952 -7.629 21.199 1.00 10.00 O ATOM 106 CB ASN A 7 -0.849 -6.789 18.384 1.00 10.00 C ATOM 107 CG ASN A 7 0.654 -6.943 18.153 1.00 10.00 C ATOM 108 OD1 ASN A 7 1.173 -8.042 18.160 1.00 12.50 O ATOM 109 ND2 ASN A 7 1.379 -5.879 17.946 1.00 12.50 N ATOM 0 H ASN A 7 -3.199 -6.951 18.650 1.00 10.00 H new ATOM 0 HA ASN A 7 -1.166 -8.959 18.267 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -1.343 -6.502 17.456 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -1.037 -5.993 19.105 1.00 10.00 H new ATOM 0 HD21 ASN A 7 2.383 -5.968 17.790 1.00 12.50 H new ATOM 0 HD22 ASN A 7 0.942 -4.957 17.940 1.00 12.50 H new ATOM 116 N TYR A 8 -0.244 -9.564 20.434 1.00 50.00 N ATOM 117 CA TYR A 8 0.353 -9.920 21.754 1.00 50.00 C ATOM 118 C TYR A 8 1.434 -8.897 22.114 1.00 50.00 C ATOM 119 O TYR A 8 1.639 -8.569 23.267 1.00 50.00 O ATOM 120 CB TYR A 8 0.961 -11.313 21.549 1.00 50.00 C ATOM 121 CG TYR A 8 2.082 -11.548 22.538 1.00 50.00 C ATOM 122 CD1 TYR A 8 3.350 -11.007 22.299 1.00 50.00 C ATOM 123 CD2 TYR A 8 1.852 -12.311 23.690 1.00 50.00 C ATOM 124 CE1 TYR A 8 4.390 -11.229 23.208 1.00 50.00 C ATOM 125 CE2 TYR A 8 2.892 -12.533 24.600 1.00 50.00 C ATOM 126 CZ TYR A 8 4.161 -11.992 24.359 1.00 50.00 C ATOM 127 OH TYR A 8 5.187 -12.212 25.256 1.00 50.00 O ATOM 0 H TYR A 8 -0.131 -10.266 19.702 1.00 50.00 H new ATOM 0 HA TYR A 8 -0.375 -9.918 22.566 1.00 50.00 H new ATOM 0 HB2 TYR A 8 0.192 -12.075 21.673 1.00 50.00 H new ATOM 0 HB3 TYR A 8 1.340 -11.406 20.531 1.00 50.00 H new ATOM 0 HD1 TYR A 8 3.526 -10.417 21.412 1.00 50.00 H new ATOM 0 HD2 TYR A 8 0.873 -12.728 23.876 1.00 50.00 H new ATOM 0 HE1 TYR A 8 5.369 -10.812 23.022 1.00 50.00 H new ATOM 0 HE2 TYR A 8 2.716 -13.122 25.488 1.00 50.00 H new ATOM 0 HH TYR A 8 5.340 -11.401 25.784 1.00 50.00 H new ATOM 137 N GLU A 9 2.124 -8.387 21.131 1.00 25.00 N ATOM 138 CA GLU A 9 3.188 -7.383 21.409 1.00 25.00 C ATOM 139 C GLU A 9 2.581 -6.171 22.114 1.00 25.00 C ATOM 140 O GLU A 9 3.176 -5.595 23.003 1.00 25.00 O ATOM 141 CB GLU A 9 3.732 -6.992 20.036 1.00 50.00 C ATOM 142 CG GLU A 9 4.518 -8.164 19.445 1.00 50.00 C ATOM 143 CD GLU A 9 5.826 -7.646 18.844 1.00 50.00 C ATOM 144 OE1 GLU A 9 5.918 -6.451 18.617 1.00 50.00 O ATOM 145 OE2 GLU A 9 6.713 -8.453 18.622 1.00 50.00 O ATOM 0 H GLU A 9 1.996 -8.623 20.147 1.00 25.00 H new ATOM 0 HA GLU A 9 3.973 -7.772 22.057 1.00 25.00 H new ATOM 0 HB2 GLU A 9 2.911 -6.719 19.372 1.00 50.00 H new ATOM 0 HB3 GLU A 9 4.375 -6.117 20.124 1.00 50.00 H new ATOM 0 HG2 GLU A 9 4.728 -8.903 20.219 1.00 50.00 H new ATOM 0 HG3 GLU A 9 3.926 -8.664 18.679 1.00 50.00 H new ATOM 152 N THR A 10 1.394 -5.784 21.731 1.00 50.00 N ATOM 153 CA THR A 10 0.750 -4.615 22.394 1.00 50.00 C ATOM 154 C THR A 10 0.567 -4.909 23.884 1.00 50.00 C ATOM 155 O THR A 10 0.706 -4.041 24.722 1.00 50.00 O ATOM 156 CB THR A 10 -0.608 -4.455 21.708 1.00 50.00 C ATOM 157 OG1 THR A 10 -0.420 -4.369 20.302 1.00 50.00 O ATOM 158 CG2 THR A 10 -1.288 -3.181 22.213 1.00 50.00 C ATOM 0 H THR A 10 0.846 -6.224 20.992 1.00 50.00 H new ATOM 0 HA THR A 10 1.348 -3.708 22.310 1.00 50.00 H new ATOM 0 HB THR A 10 -1.236 -5.316 21.938 1.00 50.00 H new ATOM 0 HG1 THR A 10 -1.259 -4.094 19.876 1.00 50.00 H new ATOM 0 HG21 THR A 10 -2.256 -3.067 21.724 1.00 50.00 H new ATOM 0 HG22 THR A 10 -1.432 -3.248 23.291 1.00 50.00 H new ATOM 0 HG23 THR A 10 -0.662 -2.319 21.984 1.00 50.00 H new ATOM 166 N LEU A 11 0.262 -6.134 24.216 1.00 50.00 N ATOM 167 CA LEU A 11 0.077 -6.495 25.649 1.00 50.00 C ATOM 168 C LEU A 11 1.420 -6.420 26.382 1.00 50.00 C ATOM 169 O LEU A 11 1.506 -5.943 27.496 1.00 50.00 O ATOM 170 CB LEU A 11 -0.453 -7.932 25.630 1.00 50.00 C ATOM 171 CG LEU A 11 -0.226 -8.591 26.995 1.00 50.00 C ATOM 172 CD1 LEU A 11 -0.648 -7.630 28.109 1.00 50.00 C ATOM 173 CD2 LEU A 11 -1.056 -9.872 27.086 1.00 50.00 C ATOM 0 H LEU A 11 0.133 -6.901 23.556 1.00 50.00 H new ATOM 0 HA LEU A 11 -0.606 -5.821 26.166 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -1.516 -7.933 25.388 1.00 50.00 H new ATOM 0 HB3 LEU A 11 0.052 -8.505 24.852 1.00 50.00 H new ATOM 0 HG LEU A 11 0.831 -8.832 27.108 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -0.485 -8.102 29.078 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -0.056 -6.717 28.046 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -1.704 -7.385 27.998 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -0.895 -10.342 28.056 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -2.112 -9.630 26.971 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -0.753 -10.559 26.296 1.00 50.00 H new ATOM 185 N ASP A 12 2.469 -6.891 25.763 1.00 50.00 N ATOM 186 CA ASP A 12 3.806 -6.850 26.422 1.00 50.00 C ATOM 187 C ASP A 12 4.398 -5.443 26.328 1.00 50.00 C ATOM 188 O ASP A 12 4.940 -4.921 27.281 1.00 50.00 O ATOM 189 CB ASP A 12 4.664 -7.846 25.640 1.00 50.00 C ATOM 190 CG ASP A 12 4.031 -9.237 25.722 1.00 50.00 C ATOM 191 OD1 ASP A 12 3.103 -9.489 24.973 1.00 50.00 O ATOM 192 OD2 ASP A 12 4.487 -10.027 26.533 1.00 50.00 O ATOM 0 H ASP A 12 2.458 -7.302 24.830 1.00 50.00 H new ATOM 0 HA ASP A 12 3.752 -7.102 27.481 1.00 50.00 H new ATOM 0 HB2 ASP A 12 4.747 -7.533 24.599 1.00 50.00 H new ATOM 0 HB3 ASP A 12 5.675 -7.870 26.047 1.00 50.00 H new ATOM 197 N ASP A 13 4.297 -4.822 25.184 1.00 50.00 N ATOM 198 CA ASP A 13 4.854 -3.447 25.033 1.00 50.00 C ATOM 199 C ASP A 13 4.105 -2.474 25.947 1.00 50.00 C ATOM 200 O ASP A 13 4.702 -1.697 26.664 1.00 50.00 O ATOM 201 CB ASP A 13 4.625 -3.088 23.564 1.00 50.00 C ATOM 202 CG ASP A 13 5.314 -1.758 23.252 1.00 50.00 C ATOM 203 OD1 ASP A 13 6.505 -1.776 22.991 1.00 50.00 O ATOM 204 OD2 ASP A 13 4.636 -0.743 23.280 1.00 50.00 O ATOM 0 H ASP A 13 3.854 -5.206 24.349 1.00 50.00 H new ATOM 0 HA ASP A 13 5.908 -3.393 25.306 1.00 50.00 H new ATOM 0 HB2 ASP A 13 5.020 -3.874 22.920 1.00 50.00 H new ATOM 0 HB3 ASP A 13 3.557 -3.014 23.359 1.00 50.00 H new ATOM 209 N GLN A 14 2.801 -2.513 25.928 1.00 50.00 N ATOM 210 CA GLN A 14 2.015 -1.591 26.798 1.00 50.00 C ATOM 211 C GLN A 14 2.155 -2.001 28.265 1.00 50.00 C ATOM 212 O GLN A 14 1.790 -1.267 29.162 1.00 50.00 O ATOM 213 CB GLN A 14 0.567 -1.748 26.336 1.00 50.00 C ATOM 214 CG GLN A 14 -0.246 -0.534 26.790 1.00 50.00 C ATOM 215 CD GLN A 14 -1.101 -0.027 25.626 1.00 50.00 C ATOM 216 OE1 GLN A 14 -2.285 0.198 25.779 1.00 50.00 O ATOM 217 NE2 GLN A 14 -0.546 0.164 24.460 1.00 50.00 N ATOM 0 H GLN A 14 2.246 -3.142 25.349 1.00 50.00 H new ATOM 0 HA GLN A 14 2.358 -0.559 26.721 1.00 50.00 H new ATOM 0 HB2 GLN A 14 0.528 -1.840 25.251 1.00 50.00 H new ATOM 0 HB3 GLN A 14 0.139 -2.661 26.749 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -0.883 -0.804 27.632 1.00 50.00 H new ATOM 0 HG3 GLN A 14 0.422 0.255 27.135 1.00 50.00 H new ATOM 0 HE21 GLN A 14 0.448 -0.025 24.331 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -1.106 0.502 23.678 1.00 50.00 H new ATOM 226 N GLY A 15 2.681 -3.168 28.520 1.00 50.00 N ATOM 227 CA GLY A 15 2.841 -3.621 29.929 1.00 50.00 C ATOM 228 C GLY A 15 1.460 -3.819 30.556 1.00 50.00 C ATOM 229 O GLY A 15 1.273 -3.638 31.743 1.00 50.00 O ATOM 0 H GLY A 15 3.007 -3.827 27.813 1.00 50.00 H new ATOM 0 HA2 GLY A 15 3.405 -4.553 29.962 1.00 50.00 H new ATOM 0 HA3 GLY A 15 3.409 -2.885 30.498 1.00 50.00 H new ATOM 233 N TRP A 16 0.490 -4.191 29.765 1.00 50.00 N ATOM 234 CA TRP A 16 -0.879 -4.402 30.313 1.00 50.00 C ATOM 235 C TRP A 16 -1.001 -5.810 30.899 1.00 50.00 C ATOM 236 O TRP A 16 -0.050 -6.567 30.923 1.00 50.00 O ATOM 237 CB TRP A 16 -1.814 -4.237 29.114 1.00 50.00 C ATOM 238 CG TRP A 16 -2.525 -2.925 29.209 1.00 50.00 C ATOM 239 CD1 TRP A 16 -3.805 -2.707 28.832 1.00 50.00 C ATOM 240 CD2 TRP A 16 -2.022 -1.651 29.704 1.00 50.00 C ATOM 241 NE1 TRP A 16 -4.121 -1.381 29.066 1.00 50.00 N ATOM 242 CE2 TRP A 16 -3.055 -0.688 29.603 1.00 50.00 C ATOM 243 CE3 TRP A 16 -0.782 -1.239 30.228 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -2.864 0.635 30.006 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -0.588 0.091 30.634 1.00 50.00 C ATOM 246 CH2 TRP A 16 -1.627 1.026 30.523 1.00 50.00 C ATOM 0 H TRP A 16 0.587 -4.358 28.763 1.00 50.00 H new ATOM 0 HA TRP A 16 -1.117 -3.703 31.115 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -1.244 -4.287 28.186 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -2.537 -5.053 29.089 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -4.472 -3.448 28.416 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -5.031 -0.966 28.866 1.00 50.00 H new ATOM 0 HE3 TRP A 16 0.025 -1.951 30.318 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -3.668 1.351 29.919 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 0.368 0.396 31.034 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -1.471 2.047 30.837 1.00 50.00 H new ATOM 257 N ASP A 17 -2.163 -6.168 31.369 1.00 50.00 N ATOM 258 CA ASP A 17 -2.343 -7.528 31.951 1.00 50.00 C ATOM 259 C ASP A 17 -2.921 -8.476 30.896 1.00 50.00 C ATOM 260 O ASP A 17 -3.177 -8.087 29.774 1.00 50.00 O ATOM 261 CB ASP A 17 -3.332 -7.335 33.101 1.00 50.00 C ATOM 262 CG ASP A 17 -2.890 -6.150 33.960 1.00 50.00 C ATOM 263 OD1 ASP A 17 -2.056 -6.349 34.828 1.00 50.00 O ATOM 264 OD2 ASP A 17 -3.393 -5.060 33.736 1.00 50.00 O ATOM 0 H ASP A 17 -2.995 -5.579 31.376 1.00 50.00 H new ATOM 0 HA ASP A 17 -1.404 -7.964 32.291 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -4.333 -7.159 32.708 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -3.382 -8.239 33.708 1.00 50.00 H new ATOM 269 N MET A 18 -3.128 -9.715 31.245 1.00 50.00 N ATOM 270 CA MET A 18 -3.690 -10.682 30.259 1.00 50.00 C ATOM 271 C MET A 18 -5.187 -10.428 30.066 1.00 50.00 C ATOM 272 O MET A 18 -5.655 -10.216 28.966 1.00 50.00 O ATOM 273 CB MET A 18 -3.454 -12.061 30.875 1.00 50.00 C ATOM 274 CG MET A 18 -1.978 -12.437 30.733 1.00 50.00 C ATOM 275 SD MET A 18 -1.399 -13.195 32.272 1.00 50.00 S ATOM 276 CE MET A 18 -0.155 -14.285 31.536 1.00 50.00 C ATOM 0 H MET A 18 -2.933 -10.100 32.169 1.00 50.00 H new ATOM 0 HA MET A 18 -3.223 -10.590 29.278 1.00 50.00 H new ATOM 0 HB2 MET A 18 -3.739 -12.055 31.927 1.00 50.00 H new ATOM 0 HB3 MET A 18 -4.079 -12.804 30.380 1.00 50.00 H new ATOM 0 HG2 MET A 18 -1.846 -13.130 29.902 1.00 50.00 H new ATOM 0 HG3 MET A 18 -1.386 -11.550 30.506 1.00 50.00 H new ATOM 0 HE1 MET A 18 0.336 -14.859 32.322 1.00 50.00 H new ATOM 0 HE2 MET A 18 -0.637 -14.967 30.836 1.00 50.00 H new ATOM 0 HE3 MET A 18 0.586 -13.686 31.007 1.00 50.00 H new ATOM 286 N ASP A 19 -5.942 -10.448 31.131 1.00 50.00 N ATOM 287 CA ASP A 19 -7.409 -10.207 31.011 1.00 50.00 C ATOM 288 C ASP A 19 -7.840 -9.085 31.960 1.00 50.00 C ATOM 289 O ASP A 19 -8.968 -8.635 31.931 1.00 50.00 O ATOM 290 CB ASP A 19 -8.061 -11.530 31.413 1.00 50.00 C ATOM 291 CG ASP A 19 -9.537 -11.513 31.013 1.00 50.00 C ATOM 292 OD1 ASP A 19 -9.894 -10.699 30.178 1.00 50.00 O ATOM 293 OD2 ASP A 19 -10.285 -12.313 31.550 1.00 50.00 O ATOM 0 H ASP A 19 -5.607 -10.621 32.079 1.00 50.00 H new ATOM 0 HA ASP A 19 -7.697 -9.900 30.006 1.00 50.00 H new ATOM 0 HB2 ASP A 19 -7.551 -12.362 30.927 1.00 50.00 H new ATOM 0 HB3 ASP A 19 -7.966 -11.683 32.488 1.00 50.00 H new ATOM 298 N ASP A 20 -6.952 -8.633 32.801 1.00 50.00 N ATOM 299 CA ASP A 20 -7.312 -7.542 33.751 1.00 50.00 C ATOM 300 C ASP A 20 -7.615 -6.250 32.988 1.00 50.00 C ATOM 301 O ASP A 20 -8.664 -5.657 33.145 1.00 50.00 O ATOM 302 CB ASP A 20 -6.076 -7.363 34.634 1.00 50.00 C ATOM 303 CG ASP A 20 -6.474 -7.509 36.105 1.00 50.00 C ATOM 304 OD1 ASP A 20 -7.196 -8.443 36.412 1.00 50.00 O ATOM 305 OD2 ASP A 20 -6.048 -6.686 36.897 1.00 50.00 O ATOM 0 H ASP A 20 -5.992 -8.971 32.872 1.00 50.00 H new ATOM 0 HA ASP A 20 -8.201 -7.781 34.334 1.00 50.00 H new ATOM 0 HB2 ASP A 20 -5.321 -8.105 34.375 1.00 50.00 H new ATOM 0 HB3 ASP A 20 -5.632 -6.383 34.462 1.00 50.00 H new ATOM 310 N ASP A 21 -6.703 -5.808 32.165 1.00 50.00 N ATOM 311 CA ASP A 21 -6.938 -4.553 31.395 1.00 50.00 C ATOM 312 C ASP A 21 -7.834 -4.827 30.186 1.00 50.00 C ATOM 313 O ASP A 21 -8.212 -3.923 29.467 1.00 50.00 O ATOM 314 CB ASP A 21 -5.551 -4.102 30.939 1.00 50.00 C ATOM 315 CG ASP A 21 -4.963 -3.134 31.967 1.00 50.00 C ATOM 316 OD1 ASP A 21 -5.652 -2.829 32.927 1.00 50.00 O ATOM 317 OD2 ASP A 21 -3.833 -2.713 31.778 1.00 50.00 O ATOM 0 H ASP A 21 -5.806 -6.261 31.993 1.00 50.00 H new ATOM 0 HA ASP A 21 -7.440 -3.793 31.994 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -4.897 -4.966 30.822 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -5.617 -3.618 29.965 1.00 50.00 H new ATOM 322 N ASP A 22 -8.176 -6.063 29.954 1.00 50.00 N ATOM 323 CA ASP A 22 -9.046 -6.383 28.787 1.00 50.00 C ATOM 324 C ASP A 22 -8.538 -5.647 27.545 1.00 50.00 C ATOM 325 O ASP A 22 -9.271 -4.927 26.897 1.00 50.00 O ATOM 326 CB ASP A 22 -10.435 -5.882 29.179 1.00 50.00 C ATOM 327 CG ASP A 22 -10.948 -6.688 30.374 1.00 50.00 C ATOM 328 OD1 ASP A 22 -11.284 -7.844 30.183 1.00 50.00 O ATOM 329 OD2 ASP A 22 -10.994 -6.134 31.461 1.00 50.00 O ATOM 0 H ASP A 22 -7.892 -6.863 30.519 1.00 50.00 H new ATOM 0 HA ASP A 22 -9.053 -7.447 28.550 1.00 50.00 H new ATOM 0 HB2 ASP A 22 -10.393 -4.823 29.432 1.00 50.00 H new ATOM 0 HB3 ASP A 22 -11.121 -5.982 28.338 1.00 50.00 H new ATOM 334 N LEU A 23 -7.286 -5.820 27.219 1.00 50.00 N ATOM 335 CA LEU A 23 -6.713 -5.132 26.022 1.00 50.00 C ATOM 336 C LEU A 23 -7.728 -5.112 24.878 1.00 50.00 C ATOM 337 O LEU A 23 -7.993 -4.081 24.291 1.00 50.00 O ATOM 338 CB LEU A 23 -5.490 -5.961 25.640 1.00 50.00 C ATOM 339 CG LEU A 23 -4.292 -5.509 26.474 1.00 50.00 C ATOM 340 CD1 LEU A 23 -3.319 -6.676 26.644 1.00 50.00 C ATOM 341 CD2 LEU A 23 -3.585 -4.353 25.763 1.00 50.00 C ATOM 0 H LEU A 23 -6.631 -6.411 27.731 1.00 50.00 H new ATOM 0 HA LEU A 23 -6.455 -4.093 26.229 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -5.687 -7.020 25.809 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -5.274 -5.843 24.578 1.00 50.00 H new ATOM 0 HG LEU A 23 -4.635 -5.178 27.454 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -2.464 -6.354 27.239 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -3.823 -7.499 27.150 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -2.975 -7.008 25.665 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -2.730 -4.029 26.357 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -3.242 -4.684 24.783 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -4.279 -3.521 25.642 1.00 50.00 H new ATOM 353 N PHE A 24 -8.306 -6.240 24.562 1.00 50.00 N ATOM 354 CA PHE A 24 -9.312 -6.282 23.464 1.00 50.00 C ATOM 355 C PHE A 24 -10.242 -5.078 23.581 1.00 50.00 C ATOM 356 O PHE A 24 -10.784 -4.594 22.608 1.00 50.00 O ATOM 357 CB PHE A 24 -10.090 -7.579 23.688 1.00 50.00 C ATOM 358 CG PHE A 24 -9.339 -8.731 23.068 1.00 50.00 C ATOM 359 CD1 PHE A 24 -9.328 -8.890 21.677 1.00 50.00 C ATOM 360 CD2 PHE A 24 -8.654 -9.641 23.882 1.00 50.00 C ATOM 361 CE1 PHE A 24 -8.632 -9.959 21.100 1.00 50.00 C ATOM 362 CE2 PHE A 24 -7.959 -10.711 23.306 1.00 50.00 C ATOM 363 CZ PHE A 24 -7.948 -10.869 21.914 1.00 50.00 C ATOM 0 H PHE A 24 -8.124 -7.134 25.018 1.00 50.00 H new ATOM 0 HA PHE A 24 -8.856 -6.250 22.475 1.00 50.00 H new ATOM 0 HB2 PHE A 24 -10.227 -7.753 24.755 1.00 50.00 H new ATOM 0 HB3 PHE A 24 -11.084 -7.500 23.247 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -9.856 -8.188 21.049 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -8.662 -9.517 24.955 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -8.623 -10.081 20.027 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -7.432 -11.414 23.934 1.00 50.00 H new ATOM 0 HZ PHE A 24 -7.411 -11.694 21.469 1.00 50.00 H new ATOM 373 N GLU A 25 -10.421 -4.589 24.775 1.00 50.00 N ATOM 374 CA GLU A 25 -11.310 -3.408 24.974 1.00 50.00 C ATOM 375 C GLU A 25 -10.471 -2.134 25.096 1.00 50.00 C ATOM 376 O GLU A 25 -10.681 -1.169 24.387 1.00 50.00 O ATOM 377 CB GLU A 25 -12.057 -3.685 26.278 1.00 50.00 C ATOM 378 CG GLU A 25 -13.029 -4.849 26.073 1.00 50.00 C ATOM 379 CD GLU A 25 -14.450 -4.392 26.405 1.00 50.00 C ATOM 380 OE1 GLU A 25 -15.046 -3.726 25.574 1.00 50.00 O ATOM 381 OE2 GLU A 25 -14.919 -4.716 27.483 1.00 50.00 O ATOM 0 H GLU A 25 -9.990 -4.955 25.624 1.00 50.00 H new ATOM 0 HA GLU A 25 -11.995 -3.261 24.139 1.00 50.00 H new ATOM 0 HB2 GLU A 25 -11.349 -3.924 27.071 1.00 50.00 H new ATOM 0 HB3 GLU A 25 -12.601 -2.795 26.594 1.00 50.00 H new ATOM 0 HG2 GLU A 25 -12.980 -5.200 25.042 1.00 50.00 H new ATOM 0 HG3 GLU A 25 -12.748 -5.688 26.709 1.00 50.00 H new ATOM 388 N LYS A 26 -9.522 -2.122 25.991 1.00 50.00 N ATOM 389 CA LYS A 26 -8.669 -0.911 26.159 1.00 50.00 C ATOM 390 C LYS A 26 -7.877 -0.640 24.877 1.00 50.00 C ATOM 391 O LYS A 26 -7.420 0.460 24.638 1.00 50.00 O ATOM 392 CB LYS A 26 -7.724 -1.246 27.312 1.00 50.00 C ATOM 393 CG LYS A 26 -8.359 -0.810 28.632 1.00 50.00 C ATOM 394 CD LYS A 26 -8.374 0.719 28.707 1.00 50.00 C ATOM 395 CE LYS A 26 -8.026 1.164 30.128 1.00 50.00 C ATOM 396 NZ LYS A 26 -8.949 2.299 30.409 1.00 50.00 N ATOM 0 H LYS A 26 -9.300 -2.899 26.614 1.00 50.00 H new ATOM 0 HA LYS A 26 -9.258 -0.017 26.363 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -7.520 -2.317 27.330 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -6.768 -0.742 27.172 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -9.375 -1.199 28.706 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -7.798 -1.221 29.472 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -7.658 1.135 27.999 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -9.357 1.098 28.426 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -8.168 0.353 30.842 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -6.984 1.475 30.201 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -8.772 2.661 31.368 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -8.786 3.058 29.717 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -9.934 1.971 30.338 1.00 50.00 H new ATOM 410 N ALA A 27 -7.712 -1.636 24.049 1.00 50.00 N ATOM 411 CA ALA A 27 -6.951 -1.436 22.783 1.00 50.00 C ATOM 412 C ALA A 27 -7.764 -0.579 21.809 1.00 50.00 C ATOM 413 O ALA A 27 -7.250 -0.080 20.827 1.00 50.00 O ATOM 414 CB ALA A 27 -6.748 -2.841 22.217 1.00 50.00 C ATOM 0 H ALA A 27 -8.071 -2.579 24.195 1.00 50.00 H new ATOM 0 HA ALA A 27 -6.004 -0.921 22.947 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -6.193 -2.779 21.281 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -6.188 -3.444 22.932 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -7.718 -3.303 22.034 1.00 50.00 H new ATOM 420 N ALA A 28 -9.029 -0.402 22.075 1.00 50.00 N ATOM 421 CA ALA A 28 -9.875 0.422 21.167 1.00 50.00 C ATOM 422 C ALA A 28 -9.730 1.906 21.516 1.00 50.00 C ATOM 423 O ALA A 28 -9.893 2.770 20.677 1.00 50.00 O ATOM 424 CB ALA A 28 -11.307 -0.050 21.423 1.00 50.00 C ATOM 0 H ALA A 28 -9.514 -0.793 22.883 1.00 50.00 H new ATOM 0 HA ALA A 28 -9.590 0.310 20.121 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -11.994 0.511 20.789 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -11.387 -1.112 21.193 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -11.563 0.114 22.470 1.00 50.00 H new ATOM 430 N ASP A 29 -9.424 2.205 22.746 1.00 50.00 N ATOM 431 CA ASP A 29 -9.267 3.632 23.151 1.00 50.00 C ATOM 432 C ASP A 29 -7.824 4.088 22.928 1.00 50.00 C ATOM 433 O ASP A 29 -7.566 5.223 22.582 1.00 50.00 O ATOM 434 CB ASP A 29 -9.617 3.662 24.638 1.00 50.00 C ATOM 435 CG ASP A 29 -9.861 5.109 25.073 1.00 50.00 C ATOM 436 OD1 ASP A 29 -9.955 5.960 24.205 1.00 50.00 O ATOM 437 OD2 ASP A 29 -9.948 5.341 26.268 1.00 50.00 O ATOM 0 H ASP A 29 -9.275 1.524 23.491 1.00 50.00 H new ATOM 0 HA ASP A 29 -9.903 4.300 22.570 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -10.505 3.059 24.826 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -8.807 3.226 25.223 1.00 50.00 H new ATOM 442 N ALA A 30 -6.883 3.207 23.123 1.00 50.00 N ATOM 443 CA ALA A 30 -5.455 3.583 22.922 1.00 50.00 C ATOM 444 C ALA A 30 -5.203 3.926 21.452 1.00 50.00 C ATOM 445 O ALA A 30 -4.362 4.741 21.130 1.00 50.00 O ATOM 446 CB ALA A 30 -4.661 2.341 23.328 1.00 50.00 C ATOM 0 H ALA A 30 -7.041 2.242 23.413 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.169 4.458 23.505 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -3.595 2.535 23.209 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -4.871 2.099 24.370 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -4.950 1.502 22.695 1.00 50.00 H new ATOM 452 N GLY A 31 -5.929 3.310 20.561 1.00 50.00 N ATOM 453 CA GLY A 31 -5.737 3.598 19.112 1.00 50.00 C ATOM 454 C GLY A 31 -4.666 2.665 18.539 1.00 50.00 C ATOM 455 O GLY A 31 -3.605 3.097 18.138 1.00 50.00 O ATOM 0 H GLY A 31 -6.648 2.619 20.774 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -6.676 3.462 18.576 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -5.439 4.637 18.974 1.00 50.00 H new ATOM 459 N LEU A 32 -4.937 1.388 18.499 1.00 50.00 N ATOM 460 CA LEU A 32 -3.933 0.430 17.951 1.00 50.00 C ATOM 461 C LEU A 32 -4.191 0.187 16.461 1.00 50.00 C ATOM 462 O LEU A 32 -5.308 0.270 15.994 1.00 50.00 O ATOM 463 CB LEU A 32 -4.136 -0.860 18.746 1.00 50.00 C ATOM 464 CG LEU A 32 -2.944 -1.078 19.680 1.00 50.00 C ATOM 465 CD1 LEU A 32 -1.643 -0.998 18.878 1.00 50.00 C ATOM 466 CD2 LEU A 32 -2.943 0.001 20.764 1.00 50.00 C ATOM 0 H LEU A 32 -5.808 0.967 18.821 1.00 50.00 H new ATOM 0 HA LEU A 32 -2.914 0.807 18.040 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -5.058 -0.802 19.324 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -4.238 -1.706 18.066 1.00 50.00 H new ATOM 0 HG LEU A 32 -3.022 -2.061 20.145 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -0.795 -1.153 19.544 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -1.644 -1.767 18.106 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -1.563 -0.016 18.412 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -2.094 -0.153 21.430 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -2.865 0.984 20.299 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -3.869 -0.058 21.336 1.00 50.00 H new ATOM 478 N ASP A 33 -3.164 -0.114 15.714 1.00 50.00 N ATOM 479 CA ASP A 33 -3.350 -0.364 14.255 1.00 50.00 C ATOM 480 C ASP A 33 -4.303 -1.543 14.037 1.00 50.00 C ATOM 481 O ASP A 33 -4.392 -2.441 14.851 1.00 50.00 O ATOM 482 CB ASP A 33 -1.954 -0.700 13.732 1.00 50.00 C ATOM 483 CG ASP A 33 -1.191 0.595 13.442 1.00 50.00 C ATOM 484 OD1 ASP A 33 -1.387 1.551 14.175 1.00 50.00 O ATOM 485 OD2 ASP A 33 -0.424 0.607 12.493 1.00 50.00 O ATOM 0 H ASP A 33 -2.205 -0.198 16.050 1.00 50.00 H new ATOM 0 HA ASP A 33 -3.784 0.493 13.740 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -1.413 -1.296 14.467 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -2.029 -1.301 12.826 1.00 50.00 H new ATOM 490 N GLY A 34 -5.013 -1.549 12.941 1.00 50.00 N ATOM 491 CA GLY A 34 -5.957 -2.670 12.671 1.00 50.00 C ATOM 492 C GLY A 34 -5.164 -3.961 12.459 1.00 50.00 C ATOM 493 O GLY A 34 -5.700 -5.049 12.520 1.00 50.00 O ATOM 0 H GLY A 34 -4.980 -0.826 12.222 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -6.648 -2.787 13.506 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -6.558 -2.450 11.788 1.00 50.00 H new ATOM 497 N GLU A 35 -3.889 -3.851 12.211 1.00 50.00 N ATOM 498 CA GLU A 35 -3.063 -5.074 11.998 1.00 50.00 C ATOM 499 C GLU A 35 -2.734 -5.723 13.343 1.00 50.00 C ATOM 500 O GLU A 35 -2.193 -6.809 13.403 1.00 50.00 O ATOM 501 CB GLU A 35 -1.790 -4.577 11.313 1.00 50.00 C ATOM 502 CG GLU A 35 -1.076 -5.757 10.651 1.00 50.00 C ATOM 503 CD GLU A 35 0.188 -5.258 9.949 1.00 50.00 C ATOM 504 OE1 GLU A 35 0.139 -4.183 9.375 1.00 50.00 O ATOM 505 OE2 GLU A 35 1.185 -5.960 9.997 1.00 50.00 O ATOM 0 H GLU A 35 -3.382 -2.968 12.146 1.00 50.00 H new ATOM 0 HA GLU A 35 -3.578 -5.825 11.399 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -2.036 -3.822 10.567 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -1.133 -4.103 12.042 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -0.818 -6.506 11.399 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -1.738 -6.240 9.932 1.00 50.00 H new ATOM 512 N ASP A 36 -3.055 -5.066 14.423 1.00 50.00 N ATOM 513 CA ASP A 36 -2.762 -5.638 15.768 1.00 50.00 C ATOM 514 C ASP A 36 -4.067 -5.951 16.503 1.00 50.00 C ATOM 515 O ASP A 36 -4.266 -7.040 17.004 1.00 50.00 O ATOM 516 CB ASP A 36 -1.991 -4.537 16.497 1.00 50.00 C ATOM 517 CG ASP A 36 -0.551 -4.497 15.982 1.00 50.00 C ATOM 518 OD1 ASP A 36 0.062 -5.550 15.914 1.00 50.00 O ATOM 519 OD2 ASP A 36 -0.086 -3.414 15.666 1.00 50.00 O ATOM 0 H ASP A 36 -3.510 -4.153 14.432 1.00 50.00 H new ATOM 0 HA ASP A 36 -2.198 -6.569 15.711 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -2.473 -3.573 16.336 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -2.000 -4.722 17.571 1.00 50.00 H new ATOM 524 N TYR A 37 -4.960 -5.003 16.565 1.00 12.50 N ATOM 525 CA TYR A 37 -6.253 -5.244 17.264 1.00 12.50 C ATOM 526 C TYR A 37 -7.423 -4.865 16.352 1.00 12.50 C ATOM 527 O TYR A 37 -7.309 -3.998 15.508 1.00 12.50 O ATOM 528 CB TYR A 37 -6.213 -4.339 18.497 1.00 12.50 C ATOM 529 CG TYR A 37 -7.610 -4.180 19.051 1.00 12.50 C ATOM 530 CD1 TYR A 37 -8.372 -5.313 19.357 1.00 50.00 C ATOM 531 CD2 TYR A 37 -8.143 -2.901 19.250 1.00 50.00 C ATOM 532 CE1 TYR A 37 -9.670 -5.167 19.863 1.00 50.00 C ATOM 533 CE2 TYR A 37 -9.440 -2.755 19.757 1.00 50.00 C ATOM 534 CZ TYR A 37 -10.204 -3.888 20.062 1.00 12.50 C ATOM 535 OH TYR A 37 -11.482 -3.744 20.558 1.00 50.00 O ATOM 0 H TYR A 37 -4.851 -4.072 16.162 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.389 -6.291 17.535 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -5.557 -4.767 19.254 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -5.802 -3.365 18.233 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -7.960 -6.299 19.203 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -7.554 -2.027 19.013 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -10.259 -6.041 20.100 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -9.851 -1.769 19.913 1.00 50.00 H new ATOM 0 HH TYR A 37 -11.441 -3.560 21.520 1.00 50.00 H new ATOM 545 N GLY A 38 -8.545 -5.510 16.513 1.00 10.00 N ATOM 546 CA GLY A 38 -9.720 -5.189 15.655 1.00 10.00 C ATOM 547 C GLY A 38 -10.648 -6.403 15.588 1.00 10.00 C ATOM 548 O GLY A 38 -10.239 -7.523 15.822 1.00 10.00 O ATOM 0 H GLY A 38 -8.699 -6.246 17.202 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -10.256 -4.330 16.059 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -9.389 -4.915 14.653 1.00 10.00 H new ATOM 552 N THR A 39 -11.896 -6.191 15.268 1.00 10.00 N ATOM 553 CA THR A 39 -12.850 -7.335 15.185 1.00 10.00 C ATOM 554 C THR A 39 -12.733 -8.021 13.821 1.00 10.00 C ATOM 555 O THR A 39 -12.967 -7.419 12.792 1.00 10.00 O ATOM 556 CB THR A 39 -14.234 -6.707 15.352 1.00 50.00 C ATOM 557 OG1 THR A 39 -14.263 -5.941 16.549 1.00 50.00 O ATOM 558 CG2 THR A 39 -15.293 -7.808 15.423 1.00 50.00 C ATOM 0 H THR A 39 -12.296 -5.276 15.061 1.00 10.00 H new ATOM 0 HA THR A 39 -12.653 -8.095 15.941 1.00 10.00 H new ATOM 0 HB THR A 39 -14.444 -6.060 14.500 1.00 50.00 H new ATOM 0 HG1 THR A 39 -15.149 -5.536 16.657 1.00 50.00 H new ATOM 0 HG21 THR A 39 -16.279 -7.358 15.542 1.00 50.00 H new ATOM 0 HG22 THR A 39 -15.270 -8.394 14.504 1.00 50.00 H new ATOM 0 HG23 THR A 39 -15.086 -8.458 16.273 1.00 50.00 H new ATOM 566 N MET A 40 -12.368 -9.276 13.802 1.00 10.00 N ATOM 567 CA MET A 40 -12.236 -9.988 12.497 1.00 10.00 C ATOM 568 C MET A 40 -13.554 -10.677 12.127 1.00 10.00 C ATOM 569 O MET A 40 -13.781 -11.822 12.465 1.00 10.00 O ATOM 570 CB MET A 40 -11.137 -11.028 12.709 1.00 10.00 C ATOM 571 CG MET A 40 -10.295 -11.144 11.438 1.00 10.00 C ATOM 572 SD MET A 40 -8.615 -11.656 11.874 1.00 12.50 S ATOM 573 CE MET A 40 -8.479 -13.012 10.683 1.00 50.00 C ATOM 0 H MET A 40 -12.157 -9.836 14.628 1.00 10.00 H new ATOM 0 HA MET A 40 -11.995 -9.301 11.686 1.00 10.00 H new ATOM 0 HB2 MET A 40 -10.507 -10.741 13.551 1.00 10.00 H new ATOM 0 HB3 MET A 40 -11.578 -11.994 12.956 1.00 10.00 H new ATOM 0 HG2 MET A 40 -10.742 -11.868 10.757 1.00 10.00 H new ATOM 0 HG3 MET A 40 -10.271 -10.188 10.916 1.00 10.00 H new ATOM 0 HE1 MET A 40 -7.428 -13.247 10.518 1.00 50.00 H new ATOM 0 HE2 MET A 40 -8.991 -13.892 11.073 1.00 50.00 H new ATOM 0 HE3 MET A 40 -8.937 -12.715 9.739 1.00 50.00 H new ATOM 583 N GLU A 41 -14.420 -9.993 11.431 1.00 10.00 N ATOM 584 CA GLU A 41 -15.715 -10.620 11.036 1.00 10.00 C ATOM 585 C GLU A 41 -15.547 -11.370 9.712 1.00 10.00 C ATOM 586 O GLU A 41 -15.350 -10.774 8.672 1.00 10.00 O ATOM 587 CB GLU A 41 -16.689 -9.452 10.873 1.00 10.00 C ATOM 588 CG GLU A 41 -17.087 -8.921 12.252 1.00 10.00 C ATOM 589 CD GLU A 41 -18.313 -8.017 12.117 1.00 12.50 C ATOM 590 OE1 GLU A 41 -19.402 -8.546 11.966 1.00 12.50 O ATOM 591 OE2 GLU A 41 -18.142 -6.810 12.166 1.00 12.50 O ATOM 0 H GLU A 41 -14.289 -9.031 11.119 1.00 10.00 H new ATOM 0 HA GLU A 41 -16.070 -11.342 11.771 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -16.227 -8.659 10.286 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -17.575 -9.777 10.327 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -17.306 -9.751 12.923 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -16.259 -8.365 12.692 1.00 10.00 H new ATOM 598 N VAL A 42 -15.612 -12.674 9.740 1.00 10.00 N ATOM 599 CA VAL A 42 -15.443 -13.453 8.479 1.00 10.00 C ATOM 600 C VAL A 42 -16.525 -14.531 8.365 1.00 10.00 C ATOM 601 O VAL A 42 -17.236 -14.814 9.308 1.00 10.00 O ATOM 602 CB VAL A 42 -14.060 -14.098 8.589 1.00 10.00 C ATOM 603 CG1 VAL A 42 -13.028 -13.043 8.997 1.00 10.00 C ATOM 604 CG2 VAL A 42 -14.097 -15.206 9.643 1.00 10.00 C ATOM 0 H VAL A 42 -15.774 -13.232 10.578 1.00 10.00 H new ATOM 0 HA VAL A 42 -15.531 -12.821 7.596 1.00 10.00 H new ATOM 0 HB VAL A 42 -13.782 -14.520 7.623 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -12.045 -13.507 9.074 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -12.999 -12.253 8.246 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -13.305 -12.617 9.961 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -13.112 -15.666 9.722 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -14.378 -14.782 10.607 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -14.828 -15.961 9.352 1.00 10.00 H new ATOM 614 N ALA A 43 -16.649 -15.138 7.216 1.00 10.00 N ATOM 615 CA ALA A 43 -17.677 -16.201 7.040 1.00 10.00 C ATOM 616 C ALA A 43 -17.238 -17.480 7.757 1.00 10.00 C ATOM 617 O ALA A 43 -16.076 -17.835 7.758 1.00 10.00 O ATOM 618 CB ALA A 43 -17.756 -16.431 5.530 1.00 50.00 C ATOM 0 H ALA A 43 -16.082 -14.943 6.391 1.00 10.00 H new ATOM 0 HA ALA A 43 -18.643 -15.917 7.458 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -18.495 -17.204 5.318 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -18.048 -15.504 5.036 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -16.782 -16.749 5.159 1.00 50.00 H new ATOM 624 N GLU A 44 -18.157 -18.174 8.371 1.00 10.00 N ATOM 625 CA GLU A 44 -17.790 -19.427 9.091 1.00 10.00 C ATOM 626 C GLU A 44 -17.098 -20.406 8.138 1.00 10.00 C ATOM 627 O GLU A 44 -17.662 -20.828 7.148 1.00 10.00 O ATOM 628 CB GLU A 44 -19.118 -20.004 9.580 1.00 10.00 C ATOM 629 CG GLU A 44 -18.971 -20.467 11.031 1.00 10.00 C ATOM 630 CD GLU A 44 -19.821 -21.719 11.255 1.00 25.00 C ATOM 631 OE1 GLU A 44 -20.883 -21.804 10.660 1.00 25.00 O ATOM 632 OE2 GLU A 44 -19.396 -22.571 12.017 1.00 25.00 O ATOM 0 H GLU A 44 -19.146 -17.928 8.405 1.00 10.00 H new ATOM 0 HA GLU A 44 -17.097 -19.243 9.912 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -19.903 -19.251 9.505 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -19.417 -20.841 8.949 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -17.925 -20.680 11.252 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -19.285 -19.675 11.710 1.00 10.00 H new ATOM 639 N GLY A 45 -15.881 -20.774 8.433 1.00 10.00 N ATOM 640 CA GLY A 45 -15.156 -21.727 7.547 1.00 10.00 C ATOM 641 C GLY A 45 -14.060 -20.985 6.781 1.00 10.00 C ATOM 642 O GLY A 45 -13.437 -21.528 5.889 1.00 10.00 O ATOM 0 H GLY A 45 -15.358 -20.456 9.249 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -14.719 -22.530 8.141 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -15.852 -22.190 6.848 1.00 10.00 H new ATOM 646 N GLU A 46 -13.818 -19.748 7.119 1.00 10.00 N ATOM 647 CA GLU A 46 -12.758 -18.978 6.405 1.00 10.00 C ATOM 648 C GLU A 46 -11.456 -18.997 7.211 1.00 10.00 C ATOM 649 O GLU A 46 -11.452 -18.778 8.407 1.00 10.00 O ATOM 650 CB GLU A 46 -13.304 -17.553 6.300 1.00 10.00 C ATOM 651 CG GLU A 46 -13.183 -17.069 4.854 1.00 10.00 C ATOM 652 CD GLU A 46 -11.703 -16.922 4.489 1.00 10.00 C ATOM 653 OE1 GLU A 46 -10.944 -16.489 5.338 1.00 10.00 O ATOM 654 OE2 GLU A 46 -11.357 -17.245 3.364 1.00 10.00 O ATOM 0 H GLU A 46 -14.306 -19.238 7.856 1.00 10.00 H new ATOM 0 HA GLU A 46 -12.531 -19.400 5.426 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -14.346 -17.527 6.618 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -12.751 -16.890 6.965 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -13.666 -17.777 4.180 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -13.695 -16.114 4.734 1.00 10.00 H new ATOM 661 N TYR A 47 -10.352 -19.257 6.567 1.00 10.00 N ATOM 662 CA TYR A 47 -9.053 -19.289 7.297 1.00 10.00 C ATOM 663 C TYR A 47 -8.749 -17.910 7.892 1.00 10.00 C ATOM 664 O TYR A 47 -8.632 -16.928 7.186 1.00 10.00 O ATOM 665 CB TYR A 47 -8.014 -19.664 6.240 1.00 10.00 C ATOM 666 CG TYR A 47 -8.478 -20.893 5.493 1.00 10.00 C ATOM 667 CD1 TYR A 47 -8.500 -22.137 6.136 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.886 -20.789 4.157 1.00 10.00 C ATOM 669 CE1 TYR A 47 -8.930 -23.275 5.444 1.00 10.00 C ATOM 670 CE2 TYR A 47 -9.316 -21.928 3.466 1.00 10.00 C ATOM 671 CZ TYR A 47 -9.337 -23.171 4.110 1.00 10.00 C ATOM 672 OH TYR A 47 -9.761 -24.295 3.429 1.00 10.00 O ATOM 0 H TYR A 47 -10.293 -19.449 5.567 1.00 10.00 H new ATOM 0 HA TYR A 47 -9.060 -19.996 8.126 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -7.870 -18.836 5.546 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.051 -19.855 6.713 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -8.185 -22.218 7.166 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -8.869 -19.830 3.660 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.948 -24.234 5.940 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -9.632 -21.848 2.436 1.00 10.00 H new ATOM 0 HH TYR A 47 -10.009 -24.049 2.514 1.00 10.00 H new ATOM 682 N ILE A 48 -8.626 -17.831 9.189 1.00 10.00 N ATOM 683 CA ILE A 48 -8.337 -16.519 9.838 1.00 10.00 C ATOM 684 C ILE A 48 -7.298 -15.732 9.033 1.00 10.00 C ATOM 685 O ILE A 48 -7.592 -14.698 8.466 1.00 10.00 O ATOM 686 CB ILE A 48 -7.783 -16.878 11.217 1.00 10.00 C ATOM 687 CG1 ILE A 48 -8.923 -17.367 12.113 1.00 10.00 C ATOM 688 CG2 ILE A 48 -7.137 -15.642 11.844 1.00 10.00 C ATOM 689 CD1 ILE A 48 -9.938 -16.238 12.309 1.00 10.00 C ATOM 0 H ILE A 48 -8.713 -18.620 9.829 1.00 10.00 H new ATOM 0 HA ILE A 48 -9.225 -15.890 9.899 1.00 10.00 H new ATOM 0 HB ILE A 48 -7.037 -17.666 11.115 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -9.408 -18.233 11.662 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -8.530 -17.688 13.077 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -6.742 -15.897 12.827 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -6.325 -15.293 11.206 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -7.883 -14.854 11.946 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -10.750 -16.586 12.947 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -9.448 -15.385 12.778 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -10.340 -15.938 11.341 1.00 10.00 H new ATOM 701 N LEU A 49 -6.083 -16.208 8.985 1.00 10.00 N ATOM 702 CA LEU A 49 -5.025 -15.482 8.225 1.00 10.00 C ATOM 703 C LEU A 49 -5.550 -15.043 6.853 1.00 10.00 C ATOM 704 O LEU A 49 -5.267 -13.955 6.392 1.00 10.00 O ATOM 705 CB LEU A 49 -3.887 -16.491 8.069 1.00 10.00 C ATOM 706 CG LEU A 49 -2.915 -16.004 6.994 1.00 10.00 C ATOM 707 CD1 LEU A 49 -1.483 -16.354 7.404 1.00 10.00 C ATOM 708 CD2 LEU A 49 -3.245 -16.683 5.663 1.00 10.00 C ATOM 0 H LEU A 49 -5.777 -17.069 9.439 1.00 10.00 H new ATOM 0 HA LEU A 49 -4.701 -14.576 8.738 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -3.364 -16.615 9.017 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -4.288 -17.467 7.796 1.00 10.00 H new ATOM 0 HG LEU A 49 -3.007 -14.924 6.884 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -0.790 -16.007 6.638 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -1.248 -15.871 8.352 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -1.390 -17.434 7.515 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -2.552 -16.336 4.896 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -3.153 -17.764 5.773 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -4.265 -16.434 5.370 1.00 10.00 H new ATOM 720 N GLU A 50 -6.309 -15.879 6.198 1.00 10.00 N ATOM 721 CA GLU A 50 -6.844 -15.502 4.856 1.00 10.00 C ATOM 722 C GLU A 50 -7.964 -14.469 5.002 1.00 10.00 C ATOM 723 O GLU A 50 -8.038 -13.508 4.261 1.00 10.00 O ATOM 724 CB GLU A 50 -7.391 -16.802 4.266 1.00 10.00 C ATOM 725 CG GLU A 50 -7.863 -16.553 2.832 1.00 10.00 C ATOM 726 CD GLU A 50 -7.238 -17.592 1.899 1.00 50.00 C ATOM 727 OE1 GLU A 50 -6.076 -17.433 1.563 1.00 50.00 O ATOM 728 OE2 GLU A 50 -7.931 -18.529 1.538 1.00 50.00 O ATOM 0 H GLU A 50 -6.582 -16.804 6.531 1.00 10.00 H new ATOM 0 HA GLU A 50 -6.080 -15.055 4.220 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -6.620 -17.572 4.278 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.218 -17.170 4.874 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -8.950 -16.611 2.781 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -7.582 -15.549 2.515 1.00 10.00 H new ATOM 735 N ALA A 51 -8.841 -14.662 5.949 1.00 10.00 N ATOM 736 CA ALA A 51 -9.959 -13.694 6.138 1.00 10.00 C ATOM 737 C ALA A 51 -9.414 -12.290 6.402 1.00 10.00 C ATOM 738 O ALA A 51 -9.826 -11.326 5.790 1.00 10.00 O ATOM 739 CB ALA A 51 -10.726 -14.210 7.355 1.00 12.50 C ATOM 0 H ALA A 51 -8.832 -15.447 6.600 1.00 10.00 H new ATOM 0 HA ALA A 51 -10.593 -13.622 5.254 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -11.568 -13.550 7.561 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -11.094 -15.216 7.153 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -10.063 -14.233 8.220 1.00 12.50 H new ATOM 745 N ALA A 52 -8.492 -12.172 7.311 1.00 10.00 N ATOM 746 CA ALA A 52 -7.918 -10.832 7.626 1.00 10.00 C ATOM 747 C ALA A 52 -6.946 -10.395 6.529 1.00 10.00 C ATOM 748 O ALA A 52 -6.788 -9.221 6.259 1.00 10.00 O ATOM 749 CB ALA A 52 -7.185 -11.014 8.955 1.00 10.00 C ATOM 0 H ALA A 52 -8.108 -12.946 7.853 1.00 10.00 H new ATOM 0 HA ALA A 52 -8.687 -10.062 7.688 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -6.734 -10.068 9.254 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -7.892 -11.337 9.719 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -6.405 -11.767 8.840 1.00 10.00 H new ATOM 755 N GLU A 53 -6.295 -11.327 5.893 1.00 10.00 N ATOM 756 CA GLU A 53 -5.336 -10.958 4.812 1.00 10.00 C ATOM 757 C GLU A 53 -6.074 -10.234 3.686 1.00 10.00 C ATOM 758 O GLU A 53 -5.535 -9.364 3.032 1.00 10.00 O ATOM 759 CB GLU A 53 -4.762 -12.284 4.312 1.00 10.00 C ATOM 760 CG GLU A 53 -3.894 -12.030 3.077 1.00 10.00 C ATOM 761 CD GLU A 53 -3.258 -13.344 2.618 1.00 10.00 C ATOM 762 OE1 GLU A 53 -3.482 -14.348 3.273 1.00 10.00 O ATOM 763 OE2 GLU A 53 -2.558 -13.322 1.619 1.00 10.00 O ATOM 0 H GLU A 53 -6.384 -12.327 6.073 1.00 10.00 H new ATOM 0 HA GLU A 53 -4.552 -10.288 5.166 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -4.169 -12.755 5.096 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -5.570 -12.973 4.066 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -4.499 -11.608 2.275 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -3.118 -11.300 3.309 1.00 10.00 H new ATOM 770 N ALA A 54 -7.308 -10.585 3.462 1.00 10.00 N ATOM 771 CA ALA A 54 -8.090 -9.919 2.382 1.00 10.00 C ATOM 772 C ALA A 54 -8.506 -8.513 2.828 1.00 10.00 C ATOM 773 O ALA A 54 -9.088 -7.759 2.074 1.00 10.00 O ATOM 774 CB ALA A 54 -9.319 -10.803 2.179 1.00 50.00 C ATOM 0 H ALA A 54 -7.811 -11.305 3.980 1.00 10.00 H new ATOM 0 HA ALA A 54 -7.516 -9.806 1.462 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -9.948 -10.378 1.396 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -9.003 -11.804 1.887 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -9.885 -10.858 3.109 1.00 50.00 H new ATOM 780 N GLN A 55 -8.212 -8.157 4.049 1.00 10.00 N ATOM 781 CA GLN A 55 -8.591 -6.801 4.543 1.00 10.00 C ATOM 782 C GLN A 55 -7.349 -5.915 4.669 1.00 10.00 C ATOM 783 O GLN A 55 -7.446 -4.719 4.865 1.00 10.00 O ATOM 784 CB GLN A 55 -9.222 -7.041 5.914 1.00 10.00 C ATOM 785 CG GLN A 55 -10.707 -7.368 5.741 1.00 10.00 C ATOM 786 CD GLN A 55 -11.466 -6.987 7.013 1.00 10.00 C ATOM 787 OE1 GLN A 55 -11.289 -5.906 7.540 1.00 10.00 O ATOM 788 NE2 GLN A 55 -12.311 -7.835 7.533 1.00 10.00 N ATOM 0 H GLN A 55 -7.726 -8.745 4.726 1.00 10.00 H new ATOM 0 HA GLN A 55 -9.274 -6.291 3.864 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -8.715 -7.861 6.421 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.104 -6.157 6.541 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -11.112 -6.826 4.887 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -10.834 -8.430 5.533 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -12.460 -8.742 7.091 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -12.822 -7.590 8.381 1.00 10.00 H new ATOM 797 N GLY A 56 -6.182 -6.489 4.556 1.00 10.00 N ATOM 798 CA GLY A 56 -4.938 -5.676 4.668 1.00 10.00 C ATOM 799 C GLY A 56 -4.124 -6.142 5.877 1.00 10.00 C ATOM 800 O GLY A 56 -2.990 -5.746 6.062 1.00 10.00 O ATOM 0 H GLY A 56 -6.037 -7.485 4.391 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -4.345 -5.774 3.759 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.190 -4.621 4.772 1.00 10.00 H new ATOM 804 N TYR A 57 -4.689 -6.979 6.703 1.00 10.00 N ATOM 805 CA TYR A 57 -3.942 -7.465 7.900 1.00 10.00 C ATOM 806 C TYR A 57 -2.844 -8.448 7.481 1.00 10.00 C ATOM 807 O TYR A 57 -3.034 -9.274 6.610 1.00 10.00 O ATOM 808 CB TYR A 57 -4.989 -8.176 8.761 1.00 10.00 C ATOM 809 CG TYR A 57 -6.092 -7.212 9.134 1.00 10.00 C ATOM 810 CD1 TYR A 57 -5.863 -5.829 9.110 1.00 10.00 C ATOM 811 CD2 TYR A 57 -7.347 -7.705 9.505 1.00 10.00 C ATOM 812 CE1 TYR A 57 -6.890 -4.945 9.459 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.373 -6.822 9.853 1.00 12.50 C ATOM 814 CZ TYR A 57 -8.145 -5.441 9.829 1.00 12.50 C ATOM 815 OH TYR A 57 -9.157 -4.567 10.172 1.00 12.50 O ATOM 0 H TYR A 57 -5.635 -7.348 6.602 1.00 10.00 H new ATOM 0 HA TYR A 57 -3.454 -6.651 8.435 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -5.405 -9.024 8.217 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -4.522 -8.573 9.662 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -4.895 -5.446 8.822 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -7.524 -8.770 9.523 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -6.714 -3.880 9.443 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -9.341 -7.205 10.140 1.00 12.50 H new ATOM 0 HH TYR A 57 -9.963 -5.074 10.402 1.00 12.50 H new ATOM 825 N ASP A 58 -1.698 -8.368 8.099 1.00 10.00 N ATOM 826 CA ASP A 58 -0.589 -9.300 7.744 1.00 10.00 C ATOM 827 C ASP A 58 -0.250 -10.187 8.946 1.00 10.00 C ATOM 828 O ASP A 58 -0.196 -9.730 10.070 1.00 10.00 O ATOM 829 CB ASP A 58 0.592 -8.397 7.388 1.00 10.00 C ATOM 830 CG ASP A 58 1.500 -9.115 6.387 1.00 10.00 C ATOM 831 OD1 ASP A 58 1.076 -9.299 5.258 1.00 10.00 O ATOM 832 OD2 ASP A 58 2.603 -9.471 6.768 1.00 10.00 O ATOM 0 H ASP A 58 -1.481 -7.697 8.836 1.00 10.00 H new ATOM 0 HA ASP A 58 -0.850 -9.964 6.920 1.00 10.00 H new ATOM 0 HB2 ASP A 58 0.232 -7.461 6.962 1.00 10.00 H new ATOM 0 HB3 ASP A 58 1.153 -8.143 8.287 1.00 10.00 H new ATOM 837 N TRP A 59 -0.029 -11.453 8.721 1.00 10.00 N ATOM 838 CA TRP A 59 0.296 -12.366 9.855 1.00 10.00 C ATOM 839 C TRP A 59 1.534 -13.200 9.519 1.00 10.00 C ATOM 840 O TRP A 59 1.908 -13.321 8.371 1.00 10.00 O ATOM 841 CB TRP A 59 -0.930 -13.276 10.005 1.00 10.00 C ATOM 842 CG TRP A 59 -2.179 -12.450 10.050 1.00 10.00 C ATOM 843 CD1 TRP A 59 -2.632 -11.672 9.041 1.00 10.00 C ATOM 844 CD2 TRP A 59 -3.148 -12.316 11.132 1.00 10.00 C ATOM 845 NE1 TRP A 59 -3.804 -11.057 9.439 1.00 50.00 N ATOM 846 CE2 TRP A 59 -4.164 -11.425 10.717 1.00 50.00 C ATOM 847 CE3 TRP A 59 -3.239 -12.870 12.421 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -5.234 -11.096 11.549 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -4.316 -12.542 13.260 1.00 50.00 C ATOM 850 CH2 TRP A 59 -5.311 -11.656 12.825 1.00 50.00 C ATOM 0 H TRP A 59 -0.059 -11.895 7.802 1.00 10.00 H new ATOM 0 HA TRP A 59 0.512 -11.819 10.772 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -0.977 -13.977 9.171 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -0.844 -13.869 10.915 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -2.155 -11.551 8.080 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -4.337 -10.410 8.858 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -2.476 -13.552 12.768 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -5.998 -10.413 11.208 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -4.378 -12.975 14.247 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -6.136 -11.407 13.476 1.00 50.00 H new ATOM 861 N PRO A 60 2.125 -13.756 10.541 1.00 10.00 N ATOM 862 CA PRO A 60 3.330 -14.597 10.354 1.00 10.00 C ATOM 863 C PRO A 60 2.939 -15.936 9.725 1.00 10.00 C ATOM 864 O PRO A 60 1.897 -16.488 10.018 1.00 10.00 O ATOM 865 CB PRO A 60 3.855 -14.793 11.772 1.00 10.00 C ATOM 866 CG PRO A 60 2.661 -14.609 12.655 1.00 10.00 C ATOM 867 CD PRO A 60 1.730 -13.655 11.949 1.00 10.00 C ATOM 0 HA PRO A 60 4.073 -14.150 9.693 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.290 -15.784 11.898 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.636 -14.070 12.008 1.00 10.00 H new ATOM 0 HG2 PRO A 60 2.167 -15.563 12.839 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.957 -14.211 13.625 1.00 10.00 H new ATOM 0 HD2 PRO A 60 0.686 -13.935 12.092 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.841 -12.637 12.323 1.00 10.00 H new ATOM 875 N PHE A 61 3.760 -16.461 8.860 1.00 10.00 N ATOM 876 CA PHE A 61 3.428 -17.761 8.213 1.00 10.00 C ATOM 877 C PHE A 61 4.665 -18.343 7.530 1.00 10.00 C ATOM 878 O PHE A 61 5.532 -17.625 7.076 1.00 10.00 O ATOM 879 CB PHE A 61 2.353 -17.428 7.178 1.00 10.00 C ATOM 880 CG PHE A 61 2.900 -16.418 6.199 1.00 10.00 C ATOM 881 CD1 PHE A 61 3.885 -16.796 5.279 1.00 10.00 C ATOM 882 CD2 PHE A 61 2.420 -15.104 6.211 1.00 10.00 C ATOM 883 CE1 PHE A 61 4.391 -15.857 4.371 1.00 10.00 C ATOM 884 CE2 PHE A 61 2.926 -14.165 5.304 1.00 10.00 C ATOM 885 CZ PHE A 61 3.913 -14.542 4.384 1.00 10.00 C ATOM 0 H PHE A 61 4.647 -16.047 8.573 1.00 10.00 H new ATOM 0 HA PHE A 61 3.084 -18.503 8.934 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.046 -18.332 6.652 1.00 10.00 H new ATOM 0 HB3 PHE A 61 1.467 -17.030 7.672 1.00 10.00 H new ATOM 0 HD1 PHE A 61 4.255 -17.811 5.269 1.00 10.00 H new ATOM 0 HD2 PHE A 61 1.659 -14.814 6.920 1.00 10.00 H new ATOM 0 HE1 PHE A 61 5.150 -16.148 3.661 1.00 10.00 H new ATOM 0 HE2 PHE A 61 2.556 -13.151 5.314 1.00 10.00 H new ATOM 0 HZ PHE A 61 4.305 -13.818 3.685 1.00 10.00 H new ATOM 895 N SER A 62 4.753 -19.640 7.460 1.00 10.00 N ATOM 896 CA SER A 62 5.934 -20.273 6.810 1.00 10.00 C ATOM 897 C SER A 62 5.510 -21.539 6.063 1.00 10.00 C ATOM 898 O SER A 62 5.717 -21.670 4.873 1.00 10.00 O ATOM 899 CB SER A 62 6.877 -20.620 7.963 1.00 10.00 C ATOM 900 OG SER A 62 7.380 -21.936 7.784 1.00 10.00 O ATOM 0 H SER A 62 4.058 -20.291 7.825 1.00 10.00 H new ATOM 0 HA SER A 62 6.407 -19.617 6.079 1.00 10.00 H new ATOM 0 HB2 SER A 62 7.700 -19.907 8.001 1.00 10.00 H new ATOM 0 HB3 SER A 62 6.348 -20.547 8.914 1.00 10.00 H new ATOM 0 HG SER A 62 7.986 -22.158 8.522 1.00 10.00 H new ATOM 906 N CYS A 63 4.933 -22.478 6.759 1.00 10.00 N ATOM 907 CA CYS A 63 4.511 -23.747 6.101 1.00 10.00 C ATOM 908 C CYS A 63 3.132 -23.587 5.424 1.00 10.00 C ATOM 909 O CYS A 63 2.918 -24.058 4.324 1.00 10.00 O ATOM 910 CB CYS A 63 4.504 -24.776 7.244 1.00 10.00 C ATOM 911 SG CYS A 63 2.891 -24.836 8.062 1.00 10.00 S ATOM 0 H CYS A 63 4.735 -22.422 7.758 1.00 10.00 H new ATOM 0 HA CYS A 63 5.175 -24.056 5.294 1.00 10.00 H new ATOM 0 HB2 CYS A 63 4.752 -25.762 6.851 1.00 10.00 H new ATOM 0 HB3 CYS A 63 5.274 -24.520 7.972 1.00 10.00 H new ATOM 916 N ARG A 64 2.209 -22.912 6.059 1.00 10.00 N ATOM 917 CA ARG A 64 0.857 -22.698 5.440 1.00 10.00 C ATOM 918 C ARG A 64 0.163 -24.029 5.109 1.00 10.00 C ATOM 919 O ARG A 64 -0.607 -24.122 4.174 1.00 10.00 O ATOM 920 CB ARG A 64 1.128 -21.904 4.163 1.00 10.00 C ATOM 921 CG ARG A 64 1.697 -20.531 4.531 1.00 10.00 C ATOM 922 CD ARG A 64 0.550 -19.537 4.726 1.00 10.00 C ATOM 923 NE ARG A 64 1.018 -18.283 4.069 1.00 10.00 N ATOM 924 CZ ARG A 64 0.445 -17.867 2.973 1.00 10.00 C ATOM 925 NH1 ARG A 64 -0.541 -17.014 3.034 1.00 10.00 N ATOM 926 NH2 ARG A 64 0.858 -18.303 1.816 1.00 10.00 N ATOM 0 H ARG A 64 2.329 -22.497 6.983 1.00 10.00 H new ATOM 0 HA ARG A 64 0.188 -22.175 6.123 1.00 10.00 H new ATOM 0 HB2 ARG A 64 1.831 -22.443 3.528 1.00 10.00 H new ATOM 0 HB3 ARG A 64 0.207 -21.787 3.591 1.00 10.00 H new ATOM 0 HG2 ARG A 64 2.288 -20.604 5.444 1.00 10.00 H new ATOM 0 HG3 ARG A 64 2.366 -20.181 3.745 1.00 10.00 H new ATOM 0 HD2 ARG A 64 -0.371 -19.902 4.272 1.00 10.00 H new ATOM 0 HD3 ARG A 64 0.342 -19.376 5.784 1.00 10.00 H new ATOM 0 HE ARG A 64 1.786 -17.750 4.476 1.00 10.00 H new ATOM 0 HH11 ARG A 64 -0.864 -16.672 3.939 1.00 10.00 H new ATOM 0 HH12 ARG A 64 -0.988 -16.689 2.177 1.00 10.00 H new ATOM 0 HH21 ARG A 64 1.629 -18.969 1.768 1.00 10.00 H new ATOM 0 HH22 ARG A 64 0.410 -17.978 0.959 1.00 10.00 H new ATOM 940 N ALA A 65 0.422 -25.050 5.873 1.00 10.00 N ATOM 941 CA ALA A 65 -0.222 -26.370 5.619 1.00 10.00 C ATOM 942 C ALA A 65 -0.652 -27.017 6.944 1.00 10.00 C ATOM 943 O ALA A 65 -1.161 -28.119 6.968 1.00 10.00 O ATOM 944 CB ALA A 65 0.856 -27.211 4.936 1.00 10.00 C ATOM 0 H ALA A 65 1.058 -25.028 6.670 1.00 10.00 H new ATOM 0 HA ALA A 65 -1.119 -26.280 5.006 1.00 10.00 H new ATOM 0 HB1 ALA A 65 0.459 -28.202 4.715 1.00 10.00 H new ATOM 0 HB2 ALA A 65 1.161 -26.727 4.008 1.00 10.00 H new ATOM 0 HB3 ALA A 65 1.718 -27.305 5.597 1.00 10.00 H new ATOM 950 N GLY A 66 -0.459 -26.336 8.048 1.00 10.00 N ATOM 951 CA GLY A 66 -0.865 -26.918 9.362 1.00 10.00 C ATOM 952 C GLY A 66 0.226 -27.860 9.881 1.00 10.00 C ATOM 953 O GLY A 66 -0.059 -28.899 10.442 1.00 10.00 O ATOM 0 H GLY A 66 -0.040 -25.407 8.094 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -1.040 -26.120 10.083 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -1.804 -27.461 9.253 1.00 10.00 H new ATOM 957 N ALA A 67 1.474 -27.519 9.692 1.00 10.00 N ATOM 958 CA ALA A 67 2.566 -28.418 10.173 1.00 10.00 C ATOM 959 C ALA A 67 3.603 -27.657 11.013 1.00 10.00 C ATOM 960 O ALA A 67 4.642 -28.191 11.347 1.00 10.00 O ATOM 961 CB ALA A 67 3.209 -28.962 8.898 1.00 10.00 C ATOM 0 H ALA A 67 1.783 -26.664 9.229 1.00 10.00 H new ATOM 0 HA ALA A 67 2.179 -29.205 10.820 1.00 10.00 H new ATOM 0 HB1 ALA A 67 4.025 -29.635 9.161 1.00 10.00 H new ATOM 0 HB2 ALA A 67 2.463 -29.505 8.318 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.598 -28.134 8.305 1.00 10.00 H new ATOM 967 N CYS A 68 3.343 -26.427 11.368 1.00 10.00 N ATOM 968 CA CYS A 68 4.340 -25.677 12.193 1.00 10.00 C ATOM 969 C CYS A 68 3.629 -24.690 13.137 1.00 10.00 C ATOM 970 O CYS A 68 2.418 -24.682 13.235 1.00 10.00 O ATOM 971 CB CYS A 68 5.257 -24.976 11.172 1.00 10.00 C ATOM 972 SG CYS A 68 4.676 -23.303 10.794 1.00 10.00 S ATOM 0 H CYS A 68 2.496 -25.913 11.127 1.00 10.00 H new ATOM 0 HA CYS A 68 4.922 -26.325 12.848 1.00 10.00 H new ATOM 0 HB2 CYS A 68 6.272 -24.929 11.566 1.00 10.00 H new ATOM 0 HB3 CYS A 68 5.298 -25.564 10.255 1.00 10.00 H new ATOM 977 N ALA A 69 4.367 -23.880 13.854 1.00 10.00 N ATOM 978 CA ALA A 69 3.714 -22.927 14.806 1.00 10.00 C ATOM 979 C ALA A 69 4.148 -21.478 14.545 1.00 10.00 C ATOM 980 O ALA A 69 3.901 -20.598 15.345 1.00 10.00 O ATOM 981 CB ALA A 69 4.184 -23.377 16.191 1.00 25.00 C ATOM 0 H ALA A 69 5.386 -23.836 13.823 1.00 10.00 H new ATOM 0 HA ALA A 69 2.629 -22.941 14.701 1.00 10.00 H new ATOM 0 HB1 ALA A 69 3.749 -22.728 16.951 1.00 25.00 H new ATOM 0 HB2 ALA A 69 3.867 -24.405 16.367 1.00 25.00 H new ATOM 0 HB3 ALA A 69 5.271 -23.319 16.243 1.00 25.00 H new ATOM 987 N ASN A 70 4.788 -21.220 13.439 1.00 10.00 N ATOM 988 CA ASN A 70 5.231 -19.826 13.142 1.00 10.00 C ATOM 989 C ASN A 70 4.027 -18.877 13.146 1.00 10.00 C ATOM 990 O ASN A 70 4.116 -17.746 13.584 1.00 10.00 O ATOM 991 CB ASN A 70 5.850 -19.896 11.745 1.00 50.00 C ATOM 992 CG ASN A 70 7.179 -20.647 11.812 1.00 50.00 C ATOM 993 OD1 ASN A 70 7.226 -21.787 12.231 1.00 50.00 O ATOM 994 ND2 ASN A 70 8.273 -20.054 11.415 1.00 50.00 N ATOM 0 H ASN A 70 5.024 -21.912 12.728 1.00 10.00 H new ATOM 0 HA ASN A 70 5.936 -19.450 13.883 1.00 10.00 H new ATOM 0 HB2 ASN A 70 5.169 -20.401 11.059 1.00 50.00 H new ATOM 0 HB3 ASN A 70 6.008 -18.890 11.355 1.00 50.00 H new ATOM 0 HD21 ASN A 70 9.165 -20.548 11.457 1.00 50.00 H new ATOM 0 HD22 ASN A 70 8.236 -19.097 11.063 1.00 50.00 H new ATOM 1001 N CYS A 71 2.904 -19.331 12.663 1.00 10.00 N ATOM 1002 CA CYS A 71 1.688 -18.463 12.638 1.00 10.00 C ATOM 1003 C CYS A 71 0.906 -18.624 13.947 1.00 10.00 C ATOM 1004 O CYS A 71 -0.236 -18.223 14.058 1.00 10.00 O ATOM 1005 CB CYS A 71 0.870 -18.981 11.451 1.00 10.00 C ATOM 1006 SG CYS A 71 0.163 -20.596 11.866 1.00 10.00 S ATOM 0 H CYS A 71 2.773 -20.268 12.283 1.00 10.00 H new ATOM 0 HA CYS A 71 1.926 -17.404 12.539 1.00 10.00 H new ATOM 0 HB2 CYS A 71 0.075 -18.276 11.207 1.00 10.00 H new ATOM 0 HB3 CYS A 71 1.503 -19.065 10.568 1.00 10.00 H new ATOM 1011 N ALA A 72 1.514 -19.229 14.929 1.00 10.00 N ATOM 1012 CA ALA A 72 0.825 -19.451 16.234 1.00 10.00 C ATOM 1013 C ALA A 72 0.073 -18.199 16.707 1.00 10.00 C ATOM 1014 O ALA A 72 0.453 -17.076 16.425 1.00 10.00 O ATOM 1015 CB ALA A 72 1.951 -19.790 17.211 1.00 10.00 C ATOM 0 H ALA A 72 2.469 -19.583 14.884 1.00 10.00 H new ATOM 0 HA ALA A 72 0.075 -20.238 16.157 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.532 -19.969 18.201 1.00 10.00 H new ATOM 0 HB2 ALA A 72 2.472 -20.685 16.870 1.00 10.00 H new ATOM 0 HB3 ALA A 72 2.653 -18.958 17.260 1.00 10.00 H new ATOM 1021 N SER A 73 -0.987 -18.399 17.447 1.00 10.00 N ATOM 1022 CA SER A 73 -1.783 -17.253 17.977 1.00 10.00 C ATOM 1023 C SER A 73 -2.184 -17.538 19.428 1.00 10.00 C ATOM 1024 O SER A 73 -1.633 -18.408 20.069 1.00 10.00 O ATOM 1025 CB SER A 73 -3.021 -17.182 17.081 1.00 50.00 C ATOM 1026 OG SER A 73 -3.104 -15.894 16.489 1.00 50.00 O ATOM 0 H SER A 73 -1.339 -19.320 17.709 1.00 10.00 H new ATOM 0 HA SER A 73 -1.227 -16.315 17.971 1.00 10.00 H new ATOM 0 HB2 SER A 73 -2.967 -17.947 16.307 1.00 50.00 H new ATOM 0 HB3 SER A 73 -3.918 -17.384 17.666 1.00 50.00 H new ATOM 0 HG SER A 73 -3.205 -15.217 17.191 1.00 50.00 H new ATOM 1032 N ILE A 74 -3.134 -16.816 19.951 1.00 10.00 N ATOM 1033 CA ILE A 74 -3.566 -17.053 21.358 1.00 10.00 C ATOM 1034 C ILE A 74 -5.059 -16.745 21.505 1.00 10.00 C ATOM 1035 O ILE A 74 -5.445 -15.645 21.848 1.00 10.00 O ATOM 1036 CB ILE A 74 -2.730 -16.095 22.208 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -1.246 -16.448 22.080 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.156 -16.209 23.673 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -1.000 -17.854 22.636 1.00 10.00 C ATOM 0 H ILE A 74 -3.632 -16.070 19.465 1.00 10.00 H new ATOM 0 HA ILE A 74 -3.421 -18.089 21.665 1.00 10.00 H new ATOM 0 HB ILE A 74 -2.888 -15.074 21.859 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -0.940 -16.401 21.035 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -0.641 -15.721 22.622 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -2.560 -15.526 24.279 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -4.211 -15.951 23.766 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -3.001 -17.231 24.019 1.00 50.00 H new ATOM 0 HD11 ILE A 74 0.057 -18.102 22.543 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -1.289 -17.886 23.686 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -1.593 -18.576 22.074 1.00 10.00 H new ATOM 1051 N VAL A 75 -5.900 -17.708 21.241 1.00 10.00 N ATOM 1052 CA VAL A 75 -7.370 -17.469 21.360 1.00 10.00 C ATOM 1053 C VAL A 75 -7.734 -17.072 22.794 1.00 10.00 C ATOM 1054 O VAL A 75 -7.525 -17.821 23.728 1.00 10.00 O ATOM 1055 CB VAL A 75 -8.021 -18.805 20.989 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -7.567 -19.888 21.967 1.00 50.00 C ATOM 1057 CG2 VAL A 75 -9.543 -18.665 21.055 1.00 50.00 C ATOM 0 H VAL A 75 -5.635 -18.649 20.949 1.00 10.00 H new ATOM 0 HA VAL A 75 -7.707 -16.658 20.715 1.00 10.00 H new ATOM 0 HB VAL A 75 -7.723 -19.084 19.978 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -8.032 -20.837 21.700 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -6.483 -19.989 21.920 1.00 50.00 H new ATOM 0 HG13 VAL A 75 -7.862 -19.611 22.979 1.00 50.00 H new ATOM 0 HG21 VAL A 75 -10.008 -19.615 20.791 1.00 50.00 H new ATOM 0 HG22 VAL A 75 -9.839 -18.385 22.066 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -9.868 -17.895 20.355 1.00 50.00 H new ATOM 1067 N LYS A 76 -8.276 -15.896 22.980 1.00 10.00 N ATOM 1068 CA LYS A 76 -8.647 -15.460 24.360 1.00 10.00 C ATOM 1069 C LYS A 76 -10.109 -15.809 24.658 1.00 10.00 C ATOM 1070 O LYS A 76 -10.590 -15.606 25.755 1.00 10.00 O ATOM 1071 CB LYS A 76 -8.447 -13.943 24.368 1.00 25.00 C ATOM 1072 CG LYS A 76 -8.531 -13.425 25.806 1.00 25.00 C ATOM 1073 CD LYS A 76 -7.226 -13.742 26.541 1.00 50.00 C ATOM 1074 CE LYS A 76 -7.546 -14.300 27.931 1.00 50.00 C ATOM 1075 NZ LYS A 76 -6.444 -13.807 28.804 1.00 50.00 N ATOM 0 H LYS A 76 -8.477 -15.222 22.241 1.00 10.00 H new ATOM 0 HA LYS A 76 -8.043 -15.955 25.120 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -7.479 -13.691 23.935 1.00 25.00 H new ATOM 0 HB3 LYS A 76 -9.207 -13.462 23.752 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -8.709 -12.350 25.806 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -9.373 -13.887 26.322 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -6.642 -14.466 25.972 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -6.618 -12.842 26.630 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -8.516 -13.950 28.284 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -7.585 -15.389 27.920 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -6.592 -14.148 29.775 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -5.534 -14.161 28.447 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -6.436 -12.767 28.799 1.00 50.00 H new ATOM 1089 N GLU A 77 -10.820 -16.332 23.695 1.00 10.00 N ATOM 1090 CA GLU A 77 -12.249 -16.688 23.941 1.00 10.00 C ATOM 1091 C GLU A 77 -12.892 -17.248 22.670 1.00 10.00 C ATOM 1092 O GLU A 77 -12.351 -17.141 21.587 1.00 10.00 O ATOM 1093 CB GLU A 77 -12.918 -15.375 24.343 1.00 10.00 C ATOM 1094 CG GLU A 77 -13.446 -15.491 25.773 1.00 10.00 C ATOM 1095 CD GLU A 77 -14.975 -15.509 25.753 1.00 25.00 C ATOM 1096 OE1 GLU A 77 -15.542 -14.979 24.811 1.00 25.00 O ATOM 1097 OE2 GLU A 77 -15.554 -16.054 26.678 1.00 25.00 O ATOM 0 H GLU A 77 -10.477 -16.527 22.755 1.00 10.00 H new ATOM 0 HA GLU A 77 -12.353 -17.455 24.708 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -12.204 -14.554 24.273 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -13.735 -15.146 23.659 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -13.067 -16.401 26.239 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -13.090 -14.653 26.373 1.00 10.00 H new ATOM 1104 N GLY A 78 -14.048 -17.843 22.796 1.00 10.00 N ATOM 1105 CA GLY A 78 -14.731 -18.408 21.599 1.00 10.00 C ATOM 1106 C GLY A 78 -14.115 -19.765 21.252 1.00 10.00 C ATOM 1107 O GLY A 78 -13.266 -20.273 21.958 1.00 10.00 O ATOM 0 H GLY A 78 -14.548 -17.962 23.677 1.00 10.00 H new ATOM 0 HA2 GLY A 78 -15.797 -18.520 21.795 1.00 10.00 H new ATOM 0 HA3 GLY A 78 -14.632 -17.725 20.755 1.00 10.00 H new ATOM 1111 N GLU A 79 -14.536 -20.355 20.168 1.00 10.00 N ATOM 1112 CA GLU A 79 -13.974 -21.676 19.770 1.00 10.00 C ATOM 1113 C GLU A 79 -13.603 -21.661 18.285 1.00 10.00 C ATOM 1114 O GLU A 79 -14.381 -21.252 17.445 1.00 10.00 O ATOM 1115 CB GLU A 79 -15.098 -22.681 20.034 1.00 25.00 C ATOM 1116 CG GLU A 79 -14.614 -24.090 19.689 1.00 25.00 C ATOM 1117 CD GLU A 79 -14.264 -24.840 20.976 1.00 50.00 C ATOM 1118 OE1 GLU A 79 -15.091 -24.855 21.873 1.00 50.00 O ATOM 1119 OE2 GLU A 79 -13.174 -25.386 21.043 1.00 50.00 O ATOM 0 H GLU A 79 -15.246 -19.979 19.540 1.00 10.00 H new ATOM 0 HA GLU A 79 -13.068 -21.926 20.323 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -15.403 -22.636 21.080 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -15.974 -22.429 19.436 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -15.388 -24.628 19.141 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -13.741 -24.037 19.038 1.00 25.00 H new ATOM 1126 N ILE A 80 -12.418 -22.098 17.954 1.00 10.00 N ATOM 1127 CA ILE A 80 -12.000 -22.100 16.523 1.00 10.00 C ATOM 1128 C ILE A 80 -11.983 -23.526 15.971 1.00 10.00 C ATOM 1129 O ILE A 80 -12.002 -24.491 16.710 1.00 10.00 O ATOM 1130 CB ILE A 80 -10.589 -21.512 16.525 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -10.662 -20.011 16.811 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -9.940 -21.740 15.157 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -9.276 -19.390 16.630 1.00 50.00 C ATOM 0 H ILE A 80 -11.723 -22.453 18.611 1.00 10.00 H new ATOM 0 HA ILE A 80 -12.684 -21.528 15.895 1.00 10.00 H new ATOM 0 HB ILE A 80 -9.993 -22.000 17.296 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -11.376 -19.536 16.138 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -11.019 -19.840 17.827 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -8.934 -21.321 15.157 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -9.888 -22.809 14.953 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -10.536 -21.252 14.386 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -9.327 -18.320 16.834 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -8.575 -19.858 17.321 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -8.937 -19.549 15.606 1.00 50.00 H new ATOM 1145 N ASP A 81 -11.944 -23.664 14.674 1.00 10.00 N ATOM 1146 CA ASP A 81 -11.922 -25.025 14.066 1.00 10.00 C ATOM 1147 C ASP A 81 -10.543 -25.309 13.465 1.00 10.00 C ATOM 1148 O ASP A 81 -10.031 -24.542 12.673 1.00 10.00 O ATOM 1149 CB ASP A 81 -12.987 -24.981 12.968 1.00 10.00 C ATOM 1150 CG ASP A 81 -13.670 -26.346 12.865 1.00 10.00 C ATOM 1151 OD1 ASP A 81 -13.519 -27.134 13.785 1.00 10.00 O ATOM 1152 OD2 ASP A 81 -14.333 -26.581 11.868 1.00 10.00 O ATOM 0 H ASP A 81 -11.926 -22.892 14.008 1.00 10.00 H new ATOM 0 HA ASP A 81 -12.119 -25.810 14.795 1.00 10.00 H new ATOM 0 HB2 ASP A 81 -13.724 -24.210 13.192 1.00 10.00 H new ATOM 0 HB3 ASP A 81 -12.530 -24.718 12.014 1.00 10.00 H new ATOM 1157 N MET A 82 -9.936 -26.402 13.836 1.00 12.50 N ATOM 1158 CA MET A 82 -8.589 -26.728 13.286 1.00 12.50 C ATOM 1159 C MET A 82 -8.646 -28.029 12.481 1.00 12.50 C ATOM 1160 O MET A 82 -9.647 -28.717 12.464 1.00 12.50 O ATOM 1161 CB MET A 82 -7.691 -26.895 14.511 1.00 12.50 C ATOM 1162 CG MET A 82 -8.338 -27.883 15.484 1.00 12.50 C ATOM 1163 SD MET A 82 -7.059 -28.624 16.528 1.00 12.50 S ATOM 1164 CE MET A 82 -7.984 -28.587 18.083 1.00 50.00 C ATOM 0 H MET A 82 -10.313 -27.083 14.495 1.00 12.50 H new ATOM 0 HA MET A 82 -8.220 -25.954 12.612 1.00 12.50 H new ATOM 0 HB2 MET A 82 -6.708 -27.256 14.209 1.00 12.50 H new ATOM 0 HB3 MET A 82 -7.540 -25.932 14.999 1.00 12.50 H new ATOM 0 HG2 MET A 82 -9.076 -27.371 16.102 1.00 12.50 H new ATOM 0 HG3 MET A 82 -8.868 -28.660 14.932 1.00 12.50 H new ATOM 0 HE1 MET A 82 -7.371 -29.006 18.881 1.00 50.00 H new ATOM 0 HE2 MET A 82 -8.243 -27.557 18.328 1.00 50.00 H new ATOM 0 HE3 MET A 82 -8.896 -29.175 17.978 1.00 50.00 H new ATOM 1174 N ASP A 83 -7.577 -28.371 11.813 1.00 50.00 N ATOM 1175 CA ASP A 83 -7.570 -29.627 11.010 1.00 50.00 C ATOM 1176 C ASP A 83 -7.007 -30.784 11.841 1.00 50.00 C ATOM 1177 O ASP A 83 -6.443 -30.583 12.899 1.00 50.00 O ATOM 1178 CB ASP A 83 -6.659 -29.329 9.819 1.00 50.00 C ATOM 1179 CG ASP A 83 -7.418 -28.482 8.795 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -8.492 -28.899 8.390 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -6.916 -27.431 8.434 1.00 50.00 O ATOM 0 H ASP A 83 -6.709 -27.835 11.789 1.00 50.00 H new ATOM 0 HA ASP A 83 -8.571 -29.921 10.695 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -5.766 -28.801 10.154 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -6.325 -30.260 9.361 1.00 50.00 H new ATOM 1186 N MET A 84 -7.156 -31.991 11.371 1.00 50.00 N ATOM 1187 CA MET A 84 -6.630 -33.159 12.136 1.00 50.00 C ATOM 1188 C MET A 84 -5.107 -33.237 12.001 1.00 50.00 C ATOM 1189 O MET A 84 -4.575 -33.315 10.912 1.00 50.00 O ATOM 1190 CB MET A 84 -7.288 -34.380 11.497 1.00 50.00 C ATOM 1191 CG MET A 84 -8.246 -35.027 12.499 1.00 50.00 C ATOM 1192 SD MET A 84 -9.819 -35.395 11.682 1.00 50.00 S ATOM 1193 CE MET A 84 -10.716 -35.942 13.154 1.00 50.00 C ATOM 0 H MET A 84 -7.619 -32.220 10.491 1.00 50.00 H new ATOM 0 HA MET A 84 -6.851 -33.088 13.201 1.00 50.00 H new ATOM 0 HB2 MET A 84 -7.830 -34.086 10.598 1.00 50.00 H new ATOM 0 HB3 MET A 84 -6.527 -35.097 11.190 1.00 50.00 H new ATOM 0 HG2 MET A 84 -7.808 -35.942 12.897 1.00 50.00 H new ATOM 0 HG3 MET A 84 -8.411 -34.359 13.344 1.00 50.00 H new ATOM 0 HE1 MET A 84 -11.732 -36.223 12.877 1.00 50.00 H new ATOM 0 HE2 MET A 84 -10.208 -36.801 13.591 1.00 50.00 H new ATOM 0 HE3 MET A 84 -10.750 -35.131 13.882 1.00 50.00 H new ATOM 1203 N GLN A 85 -4.401 -33.215 13.099 1.00 16.66 N ATOM 1204 CA GLN A 85 -2.913 -33.287 13.028 1.00 16.66 C ATOM 1205 C GLN A 85 -2.316 -33.381 14.437 1.00 16.66 C ATOM 1206 O GLN A 85 -2.986 -33.146 15.422 1.00 16.66 O ATOM 1207 CB GLN A 85 -2.488 -31.984 12.350 1.00 16.66 C ATOM 1208 CG GLN A 85 -3.253 -30.813 12.969 1.00 16.66 C ATOM 1209 CD GLN A 85 -2.890 -29.521 12.234 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -2.714 -28.425 12.917 1.00 16.66 O flip ATOM 1211 NE2 GLN A 85 -2.766 -29.511 11.026 1.00 16.66 N flip ATOM 0 H GLN A 85 -4.789 -33.150 14.040 1.00 16.66 H new ATOM 0 HA GLN A 85 -2.568 -34.164 12.481 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -1.415 -31.834 12.468 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -2.687 -32.037 11.280 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -4.326 -30.991 12.905 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -3.008 -30.723 14.027 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -2.904 -30.369 10.492 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -2.524 -28.645 10.545 1.00 16.66 H new ATOM 1220 N GLN A 86 -1.060 -33.726 14.537 1.00 16.66 N ATOM 1221 CA GLN A 86 -0.421 -33.836 15.880 1.00 16.66 C ATOM 1222 C GLN A 86 0.735 -32.841 16.001 1.00 16.66 C ATOM 1223 O GLN A 86 1.681 -33.058 16.732 1.00 16.66 O ATOM 1224 CB GLN A 86 0.099 -35.272 15.952 1.00 16.66 C ATOM 1225 CG GLN A 86 -0.993 -36.185 16.511 1.00 16.66 C ATOM 1226 CD GLN A 86 -1.948 -36.583 15.384 1.00 50.00 C ATOM 1227 OE1 GLN A 86 -1.518 -36.923 14.300 1.00 50.00 O ATOM 1228 NE2 GLN A 86 -3.235 -36.556 15.596 1.00 50.00 N ATOM 0 H GLN A 86 -0.450 -33.936 13.747 1.00 16.66 H new ATOM 0 HA GLN A 86 -1.117 -33.611 16.688 1.00 16.66 H new ATOM 0 HB2 GLN A 86 0.399 -35.611 14.960 1.00 16.66 H new ATOM 0 HB3 GLN A 86 0.985 -35.317 16.586 1.00 16.66 H new ATOM 0 HG2 GLN A 86 -0.547 -37.074 16.955 1.00 16.66 H new ATOM 0 HG3 GLN A 86 -1.540 -35.673 17.303 1.00 16.66 H new ATOM 0 HE21 GLN A 86 -3.596 -36.271 16.506 1.00 50.00 H new ATOM 0 HE22 GLN A 86 -3.880 -36.820 14.852 1.00 50.00 H new ATOM 1237 N ILE A 87 0.670 -31.751 15.286 1.00 12.50 N ATOM 1238 CA ILE A 87 1.768 -30.746 15.359 1.00 12.50 C ATOM 1239 C ILE A 87 1.607 -29.875 16.609 1.00 12.50 C ATOM 1240 O ILE A 87 2.560 -29.315 17.115 1.00 12.50 O ATOM 1241 CB ILE A 87 1.615 -29.902 14.093 1.00 50.00 C ATOM 1242 CG1 ILE A 87 2.729 -28.853 14.040 1.00 50.00 C ATOM 1243 CG2 ILE A 87 0.255 -29.200 14.108 1.00 50.00 C ATOM 1244 CD1 ILE A 87 4.087 -29.551 14.138 1.00 50.00 C ATOM 0 H ILE A 87 -0.095 -31.513 14.655 1.00 12.50 H new ATOM 0 HA ILE A 87 2.751 -31.212 15.423 1.00 12.50 H new ATOM 0 HB ILE A 87 1.681 -30.547 13.217 1.00 50.00 H new ATOM 0 HG12 ILE A 87 2.665 -28.285 13.112 1.00 50.00 H new ATOM 0 HG13 ILE A 87 2.613 -28.141 14.858 1.00 50.00 H new ATOM 0 HG21 ILE A 87 0.146 -28.598 13.206 1.00 50.00 H new ATOM 0 HG22 ILE A 87 -0.539 -29.946 14.145 1.00 50.00 H new ATOM 0 HG23 ILE A 87 0.188 -28.555 14.984 1.00 50.00 H new ATOM 0 HD11 ILE A 87 4.882 -28.807 14.101 1.00 50.00 H new ATOM 0 HD12 ILE A 87 4.147 -30.099 15.078 1.00 50.00 H new ATOM 0 HD13 ILE A 87 4.200 -30.245 13.305 1.00 50.00 H new ATOM 1256 N LEU A 88 0.408 -29.757 17.109 1.00 12.50 N ATOM 1257 CA LEU A 88 0.185 -28.922 18.326 1.00 12.50 C ATOM 1258 C LEU A 88 -0.189 -29.811 19.516 1.00 12.50 C ATOM 1259 O LEU A 88 -0.797 -30.850 19.359 1.00 12.50 O ATOM 1260 CB LEU A 88 -0.978 -27.998 17.961 1.00 12.50 C ATOM 1261 CG LEU A 88 -0.507 -26.542 17.999 1.00 12.50 C ATOM 1262 CD1 LEU A 88 0.529 -26.312 16.896 1.00 12.50 C ATOM 1263 CD2 LEU A 88 -1.702 -25.612 17.779 1.00 12.50 C ATOM 0 H LEU A 88 -0.427 -30.202 16.729 1.00 12.50 H new ATOM 0 HA LEU A 88 1.076 -28.364 18.615 1.00 12.50 H new ATOM 0 HB2 LEU A 88 -1.353 -28.244 16.968 1.00 12.50 H new ATOM 0 HB3 LEU A 88 -1.803 -28.142 18.658 1.00 12.50 H new ATOM 0 HG LEU A 88 -0.058 -26.331 18.969 1.00 12.50 H new ATOM 0 HD11 LEU A 88 0.865 -25.275 16.923 1.00 12.50 H new ATOM 0 HD12 LEU A 88 1.381 -26.973 17.053 1.00 12.50 H new ATOM 0 HD13 LEU A 88 0.080 -26.523 15.925 1.00 12.50 H new ATOM 0 HD21 LEU A 88 -1.366 -24.575 17.806 1.00 12.50 H new ATOM 0 HD22 LEU A 88 -2.153 -25.822 16.809 1.00 12.50 H new ATOM 0 HD23 LEU A 88 -2.440 -25.775 18.565 1.00 12.50 H new ATOM 1275 N SER A 89 0.169 -29.409 20.705 1.00 12.50 N ATOM 1276 CA SER A 89 -0.166 -30.232 21.902 1.00 12.50 C ATOM 1277 C SER A 89 -1.417 -29.682 22.592 1.00 12.50 C ATOM 1278 O SER A 89 -1.725 -28.510 22.498 1.00 12.50 O ATOM 1279 CB SER A 89 1.048 -30.108 22.823 1.00 12.50 C ATOM 1280 OG SER A 89 0.801 -30.811 24.031 1.00 12.50 O ATOM 0 H SER A 89 0.679 -28.547 20.899 1.00 12.50 H new ATOM 0 HA SER A 89 -0.377 -31.269 21.641 1.00 12.50 H new ATOM 0 HB2 SER A 89 1.934 -30.510 22.331 1.00 12.50 H new ATOM 0 HB3 SER A 89 1.250 -29.058 23.036 1.00 12.50 H new ATOM 0 HG SER A 89 1.580 -30.733 24.620 1.00 12.50 H new ATOM 1286 N ASP A 90 -2.140 -30.516 23.287 1.00 10.00 N ATOM 1287 CA ASP A 90 -3.369 -30.039 23.983 1.00 10.00 C ATOM 1288 C ASP A 90 -3.010 -28.979 25.026 1.00 10.00 C ATOM 1289 O ASP A 90 -3.624 -27.933 25.104 1.00 10.00 O ATOM 1290 CB ASP A 90 -3.949 -31.281 24.660 1.00 10.00 C ATOM 1291 CG ASP A 90 -5.436 -31.402 24.320 1.00 10.00 C ATOM 1292 OD1 ASP A 90 -6.175 -30.489 24.648 1.00 10.00 O ATOM 1293 OD2 ASP A 90 -5.811 -32.407 23.739 1.00 10.00 O ATOM 0 H ASP A 90 -1.933 -31.508 23.403 1.00 10.00 H new ATOM 0 HA ASP A 90 -4.079 -29.580 23.296 1.00 10.00 H new ATOM 0 HB2 ASP A 90 -3.416 -32.172 24.328 1.00 10.00 H new ATOM 0 HB3 ASP A 90 -3.816 -31.215 25.740 1.00 10.00 H new ATOM 1298 N GLU A 91 -2.017 -29.244 25.827 1.00 12.50 N ATOM 1299 CA GLU A 91 -1.613 -28.257 26.870 1.00 12.50 C ATOM 1300 C GLU A 91 -1.272 -26.913 26.222 1.00 12.50 C ATOM 1301 O GLU A 91 -1.239 -25.889 26.875 1.00 12.50 O ATOM 1302 CB GLU A 91 -0.374 -28.861 27.533 1.00 12.50 C ATOM 1303 CG GLU A 91 0.069 -27.967 28.693 1.00 12.50 C ATOM 1304 CD GLU A 91 1.312 -27.176 28.282 1.00 50.00 C ATOM 1305 OE1 GLU A 91 1.150 -26.103 27.725 1.00 50.00 O ATOM 1306 OE2 GLU A 91 2.406 -27.657 28.530 1.00 50.00 O ATOM 0 H GLU A 91 -1.466 -30.102 25.806 1.00 12.50 H new ATOM 0 HA GLU A 91 -2.410 -28.071 27.590 1.00 12.50 H new ATOM 0 HB2 GLU A 91 -0.595 -29.864 27.897 1.00 12.50 H new ATOM 0 HB3 GLU A 91 0.432 -28.956 26.805 1.00 12.50 H new ATOM 0 HG2 GLU A 91 -0.735 -27.284 28.968 1.00 12.50 H new ATOM 0 HG3 GLU A 91 0.286 -28.574 29.572 1.00 12.50 H new ATOM 1313 N GLU A 92 -1.020 -26.912 24.943 1.00 10.00 N ATOM 1314 CA GLU A 92 -0.681 -25.634 24.253 1.00 10.00 C ATOM 1315 C GLU A 92 -1.948 -24.811 24.007 1.00 10.00 C ATOM 1316 O GLU A 92 -1.960 -23.609 24.174 1.00 10.00 O ATOM 1317 CB GLU A 92 -0.051 -26.055 22.924 1.00 50.00 C ATOM 1318 CG GLU A 92 1.027 -25.044 22.529 1.00 50.00 C ATOM 1319 CD GLU A 92 2.318 -25.353 23.288 1.00 50.00 C ATOM 1320 OE1 GLU A 92 2.444 -24.896 24.413 1.00 50.00 O ATOM 1321 OE2 GLU A 92 3.158 -26.043 22.734 1.00 50.00 O ATOM 0 H GLU A 92 -1.034 -27.739 24.346 1.00 10.00 H new ATOM 0 HA GLU A 92 -0.009 -25.013 24.845 1.00 10.00 H new ATOM 0 HB2 GLU A 92 0.384 -27.050 23.014 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -0.815 -26.110 22.148 1.00 50.00 H new ATOM 0 HG2 GLU A 92 1.205 -25.087 21.455 1.00 50.00 H new ATOM 0 HG3 GLU A 92 0.692 -24.032 22.756 1.00 50.00 H new ATOM 1328 N VAL A 93 -3.013 -25.449 23.606 1.00 10.00 N ATOM 1329 CA VAL A 93 -4.274 -24.699 23.344 1.00 10.00 C ATOM 1330 C VAL A 93 -5.010 -24.407 24.656 1.00 10.00 C ATOM 1331 O VAL A 93 -5.783 -23.475 24.749 1.00 10.00 O ATOM 1332 CB VAL A 93 -5.108 -25.625 22.460 1.00 10.00 C ATOM 1333 CG1 VAL A 93 -6.377 -24.894 22.018 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -4.295 -26.026 21.227 1.00 10.00 C ATOM 0 H VAL A 93 -3.065 -26.455 23.449 1.00 10.00 H new ATOM 0 HA VAL A 93 -4.085 -23.736 22.869 1.00 10.00 H new ATOM 0 HB VAL A 93 -5.377 -26.519 23.022 1.00 10.00 H new ATOM 0 HG11 VAL A 93 -6.975 -25.552 21.387 1.00 10.00 H new ATOM 0 HG12 VAL A 93 -6.957 -24.608 22.896 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -6.105 -24.001 21.456 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -4.891 -26.687 20.597 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -4.025 -25.133 20.663 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -3.389 -26.544 21.541 1.00 10.00 H new ATOM 1344 N GLU A 94 -4.781 -25.198 25.669 1.00 12.50 N ATOM 1345 CA GLU A 94 -5.476 -24.964 26.968 1.00 12.50 C ATOM 1346 C GLU A 94 -4.691 -23.970 27.829 1.00 12.50 C ATOM 1347 O GLU A 94 -5.261 -23.148 28.518 1.00 12.50 O ATOM 1348 CB GLU A 94 -5.525 -26.333 27.646 1.00 12.50 C ATOM 1349 CG GLU A 94 -6.647 -26.346 28.686 1.00 12.50 C ATOM 1350 CD GLU A 94 -6.134 -25.743 29.995 1.00 12.50 C ATOM 1351 OE1 GLU A 94 -5.067 -26.143 30.431 1.00 12.50 O ATOM 1352 OE2 GLU A 94 -6.817 -24.891 30.540 1.00 12.50 O ATOM 0 H GLU A 94 -4.144 -25.995 25.654 1.00 12.50 H new ATOM 0 HA GLU A 94 -6.470 -24.540 26.826 1.00 12.50 H new ATOM 0 HB2 GLU A 94 -5.694 -27.113 26.903 1.00 12.50 H new ATOM 0 HB3 GLU A 94 -4.569 -26.549 28.123 1.00 12.50 H new ATOM 0 HG2 GLU A 94 -7.502 -25.777 28.321 1.00 12.50 H new ATOM 0 HG3 GLU A 94 -6.991 -27.367 28.853 1.00 12.50 H new ATOM 1359 N GLU A 95 -3.388 -24.039 27.801 1.00 12.50 N ATOM 1360 CA GLU A 95 -2.576 -23.098 28.626 1.00 12.50 C ATOM 1361 C GLU A 95 -2.030 -21.961 27.761 1.00 12.50 C ATOM 1362 O GLU A 95 -1.667 -20.912 28.256 1.00 12.50 O ATOM 1363 CB GLU A 95 -1.432 -23.945 29.180 1.00 25.00 C ATOM 1364 CG GLU A 95 -0.795 -23.224 30.370 1.00 25.00 C ATOM 1365 CD GLU A 95 -1.675 -23.403 31.607 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -1.879 -24.538 32.007 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -2.130 -22.402 32.137 1.00 50.00 O ATOM 0 H GLU A 95 -2.851 -24.704 27.244 1.00 12.50 H new ATOM 0 HA GLU A 95 -3.165 -22.635 29.418 1.00 12.50 H new ATOM 0 HB2 GLU A 95 -1.805 -24.921 29.490 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -0.686 -24.120 28.405 1.00 25.00 H new ATOM 0 HG2 GLU A 95 0.202 -23.623 30.559 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -0.677 -22.164 30.145 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.961 -22.156 26.473 1.00 25.00 N ATOM 1375 CA LYS A 96 -1.430 -21.081 25.586 1.00 25.00 C ATOM 1376 C LYS A 96 -2.522 -20.579 24.638 1.00 25.00 C ATOM 1377 O LYS A 96 -2.423 -19.505 24.079 1.00 25.00 O ATOM 1378 CB LYS A 96 -0.302 -21.743 24.797 1.00 25.00 C ATOM 1379 CG LYS A 96 1.011 -21.012 25.077 1.00 25.00 C ATOM 1380 CD LYS A 96 1.486 -21.345 26.493 1.00 25.00 C ATOM 1381 CE LYS A 96 1.532 -22.863 26.670 1.00 25.00 C ATOM 1382 NZ LYS A 96 2.620 -23.100 27.662 1.00 25.00 N ATOM 0 H LYS A 96 -2.248 -23.011 25.997 1.00 25.00 H new ATOM 0 HA LYS A 96 -1.084 -20.216 26.152 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -0.214 -22.792 25.078 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -0.525 -21.717 23.730 1.00 25.00 H new ATOM 0 HG2 LYS A 96 1.767 -21.307 24.349 1.00 25.00 H new ATOM 0 HG3 LYS A 96 0.871 -19.936 24.972 1.00 25.00 H new ATOM 0 HD2 LYS A 96 2.473 -20.918 26.667 1.00 25.00 H new ATOM 0 HD3 LYS A 96 0.813 -20.902 27.228 1.00 25.00 H new ATOM 0 HE2 LYS A 96 0.578 -23.248 27.030 1.00 25.00 H new ATOM 0 HE3 LYS A 96 1.742 -23.365 25.725 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 2.714 -24.121 27.837 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 3.517 -22.729 27.289 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 2.389 -22.616 28.553 1.00 25.00 H new ATOM 1396 N ASP A 97 -3.561 -21.344 24.450 1.00 10.00 N ATOM 1397 CA ASP A 97 -4.653 -20.899 23.532 1.00 10.00 C ATOM 1398 C ASP A 97 -4.086 -20.690 22.128 1.00 10.00 C ATOM 1399 O ASP A 97 -4.509 -19.814 21.401 1.00 10.00 O ATOM 1400 CB ASP A 97 -5.161 -19.561 24.094 1.00 50.00 C ATOM 1401 CG ASP A 97 -4.998 -19.523 25.618 1.00 50.00 C ATOM 1402 OD1 ASP A 97 -5.086 -20.574 26.230 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -4.788 -18.442 26.145 1.00 50.00 O ATOM 0 H ASP A 97 -3.703 -22.254 24.889 1.00 10.00 H new ATOM 0 HA ASP A 97 -5.454 -21.635 23.468 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -4.609 -18.737 23.643 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -6.210 -19.424 23.831 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.119 -21.476 21.745 1.00 10.00 N ATOM 1409 CA VAL A 98 -2.520 -21.300 20.393 1.00 10.00 C ATOM 1410 C VAL A 98 -3.264 -22.135 19.349 1.00 10.00 C ATOM 1411 O VAL A 98 -3.640 -23.265 19.589 1.00 10.00 O ATOM 1412 CB VAL A 98 -1.074 -21.777 20.532 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -1.058 -23.268 20.879 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -0.334 -21.556 19.210 1.00 50.00 C ATOM 0 H VAL A 98 -2.719 -22.228 22.306 1.00 10.00 H new ATOM 0 HA VAL A 98 -2.581 -20.265 20.057 1.00 10.00 H new ATOM 0 HB VAL A 98 -0.582 -21.213 21.325 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -0.027 -23.607 20.978 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -1.585 -23.428 21.820 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -1.551 -23.831 20.087 1.00 50.00 H new ATOM 0 HG21 VAL A 98 0.697 -21.896 19.309 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -0.828 -22.119 18.418 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -0.344 -20.495 18.961 1.00 50.00 H new ATOM 1424 N ARG A 99 -3.466 -21.580 18.185 1.00 10.00 N ATOM 1425 CA ARG A 99 -4.171 -22.325 17.104 1.00 10.00 C ATOM 1426 C ARG A 99 -3.488 -22.045 15.762 1.00 10.00 C ATOM 1427 O ARG A 99 -2.535 -21.296 15.687 1.00 10.00 O ATOM 1428 CB ARG A 99 -5.601 -21.779 17.107 1.00 50.00 C ATOM 1429 CG ARG A 99 -6.179 -21.859 18.521 1.00 50.00 C ATOM 1430 CD ARG A 99 -7.694 -22.061 18.441 1.00 50.00 C ATOM 1431 NE ARG A 99 -7.907 -23.492 18.798 1.00 50.00 N ATOM 1432 CZ ARG A 99 -8.987 -23.851 19.438 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -9.954 -24.453 18.802 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -9.098 -23.610 20.717 1.00 50.00 N ATOM 0 H ARG A 99 -3.171 -20.636 17.935 1.00 10.00 H new ATOM 0 HA ARG A 99 -4.155 -23.404 17.258 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -5.607 -20.746 16.759 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -6.221 -22.352 16.417 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -5.720 -22.683 19.067 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -5.951 -20.946 19.071 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -8.218 -21.399 19.130 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -8.070 -21.843 17.441 1.00 50.00 H new ATOM 0 HE ARG A 99 -7.209 -24.191 18.542 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -9.867 -24.644 17.804 1.00 50.00 H new ATOM 0 HH12 ARG A 99 -10.797 -24.733 19.303 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -8.341 -23.142 21.215 1.00 50.00 H new ATOM 0 HH22 ARG A 99 -9.941 -23.890 21.217 1.00 50.00 H new ATOM 1448 N LEU A 100 -3.963 -22.638 14.703 1.00 10.00 N ATOM 1449 CA LEU A 100 -3.329 -22.398 13.375 1.00 10.00 C ATOM 1450 C LEU A 100 -4.190 -21.440 12.545 1.00 10.00 C ATOM 1451 O LEU A 100 -5.269 -21.783 12.105 1.00 10.00 O ATOM 1452 CB LEU A 100 -3.264 -23.776 12.717 1.00 10.00 C ATOM 1453 CG LEU A 100 -2.715 -24.790 13.723 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -3.819 -25.778 14.108 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -1.544 -25.551 13.097 1.00 10.00 C ATOM 0 H LEU A 100 -4.759 -23.276 14.698 1.00 10.00 H new ATOM 0 HA LEU A 100 -2.343 -21.941 13.460 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -4.256 -24.079 12.382 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -2.626 -23.741 11.834 1.00 10.00 H new ATOM 0 HG LEU A 100 -2.371 -24.265 14.614 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -3.427 -26.500 14.825 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -4.652 -25.236 14.557 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -4.165 -26.302 13.217 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -1.154 -26.273 13.815 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -1.886 -26.075 12.205 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -0.757 -24.848 12.825 1.00 10.00 H new ATOM 1467 N THR A 101 -3.721 -20.240 12.334 1.00 10.00 N ATOM 1468 CA THR A 101 -4.514 -19.255 11.540 1.00 10.00 C ATOM 1469 C THR A 101 -4.356 -19.525 10.041 1.00 10.00 C ATOM 1470 O THR A 101 -5.246 -19.260 9.257 1.00 10.00 O ATOM 1471 CB THR A 101 -3.926 -17.890 11.901 1.00 10.00 C ATOM 1472 OG1 THR A 101 -2.518 -18.006 12.046 1.00 10.00 O ATOM 1473 CG2 THR A 101 -4.539 -17.398 13.213 1.00 10.00 C ATOM 0 H THR A 101 -2.823 -19.898 12.677 1.00 10.00 H new ATOM 0 HA THR A 101 -5.580 -19.314 11.761 1.00 10.00 H new ATOM 0 HB THR A 101 -4.152 -17.176 11.109 1.00 10.00 H new ATOM 0 HG1 THR A 101 -2.286 -18.007 12.998 1.00 10.00 H new ATOM 0 HG21 THR A 101 -4.119 -16.425 13.469 1.00 10.00 H new ATOM 0 HG22 THR A 101 -5.619 -17.308 13.099 1.00 10.00 H new ATOM 0 HG23 THR A 101 -4.316 -18.110 14.008 1.00 10.00 H new ATOM 1481 N CYS A 102 -3.230 -20.045 9.635 1.00 10.00 N ATOM 1482 CA CYS A 102 -3.021 -20.325 8.185 1.00 10.00 C ATOM 1483 C CYS A 102 -3.939 -21.462 7.727 1.00 10.00 C ATOM 1484 O CYS A 102 -4.404 -21.483 6.605 1.00 10.00 O ATOM 1485 CB CYS A 102 -1.554 -20.740 8.068 1.00 10.00 C ATOM 1486 SG CYS A 102 -1.280 -22.258 9.016 1.00 10.00 S ATOM 0 H CYS A 102 -2.447 -20.288 10.242 1.00 10.00 H new ATOM 0 HA CYS A 102 -3.251 -19.461 7.561 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -1.292 -20.899 7.022 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -0.909 -19.944 8.440 1.00 10.00 H new ATOM 1491 N ILE A 103 -4.203 -22.407 8.587 1.00 10.00 N ATOM 1492 CA ILE A 103 -5.089 -23.541 8.198 1.00 10.00 C ATOM 1493 C ILE A 103 -6.171 -23.755 9.259 1.00 10.00 C ATOM 1494 O ILE A 103 -6.686 -24.843 9.425 1.00 10.00 O ATOM 1495 CB ILE A 103 -4.164 -24.757 8.120 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -3.536 -25.009 9.493 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -3.059 -24.492 7.097 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -4.100 -26.304 10.082 1.00 50.00 C ATOM 0 H ILE A 103 -3.844 -22.443 9.541 1.00 10.00 H new ATOM 0 HA ILE A 103 -5.603 -23.359 7.254 1.00 10.00 H new ATOM 0 HB ILE A 103 -4.739 -25.632 7.816 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -2.452 -25.080 9.401 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -3.745 -24.172 10.160 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -2.400 -25.358 7.041 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -3.505 -24.311 6.119 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -2.484 -23.617 7.401 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -3.653 -26.484 11.060 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -5.181 -26.215 10.188 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -3.868 -27.137 9.418 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.520 -22.725 9.982 1.00 10.00 N ATOM 1511 CA GLY A 104 -7.567 -22.870 11.032 1.00 10.00 C ATOM 1512 C GLY A 104 -8.620 -21.773 10.858 1.00 10.00 C ATOM 1513 O GLY A 104 -8.303 -20.633 10.581 1.00 10.00 O ATOM 0 H GLY A 104 -6.125 -21.789 9.890 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -8.035 -23.852 10.961 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -7.116 -22.802 12.022 1.00 10.00 H new ATOM 1517 N SER A 105 -9.871 -22.108 11.018 1.00 10.00 N ATOM 1518 CA SER A 105 -10.944 -21.082 10.862 1.00 10.00 C ATOM 1519 C SER A 105 -11.814 -21.031 12.121 1.00 10.00 C ATOM 1520 O SER A 105 -11.865 -21.979 12.881 1.00 10.00 O ATOM 1521 CB SER A 105 -11.768 -21.547 9.661 1.00 10.00 C ATOM 1522 OG SER A 105 -10.914 -21.717 8.538 1.00 10.00 O ATOM 0 H SER A 105 -10.197 -23.046 11.250 1.00 10.00 H new ATOM 0 HA SER A 105 -10.538 -20.081 10.714 1.00 10.00 H new ATOM 0 HB2 SER A 105 -12.272 -22.485 9.893 1.00 10.00 H new ATOM 0 HB3 SER A 105 -12.544 -20.816 9.434 1.00 10.00 H new ATOM 0 HG SER A 105 -11.441 -22.017 7.768 1.00 10.00 H new ATOM 1528 N PRO A 106 -12.471 -19.917 12.297 1.00 10.00 N ATOM 1529 CA PRO A 106 -13.353 -19.730 13.475 1.00 10.00 C ATOM 1530 C PRO A 106 -14.636 -20.551 13.316 1.00 10.00 C ATOM 1531 O PRO A 106 -15.148 -20.715 12.227 1.00 10.00 O ATOM 1532 CB PRO A 106 -13.662 -18.237 13.457 1.00 10.00 C ATOM 1533 CG PRO A 106 -13.487 -17.822 12.030 1.00 10.00 C ATOM 1534 CD PRO A 106 -12.454 -18.737 11.425 1.00 10.00 C ATOM 0 HA PRO A 106 -12.895 -20.056 14.409 1.00 10.00 H new ATOM 0 HB2 PRO A 106 -14.676 -18.040 13.804 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -12.988 -17.687 14.114 1.00 10.00 H new ATOM 0 HG2 PRO A 106 -14.430 -17.896 11.489 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -13.164 -16.783 11.968 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -12.704 -18.997 10.397 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -11.469 -18.270 11.405 1.00 10.00 H new ATOM 1542 N ALA A 107 -15.159 -21.066 14.395 1.00 10.00 N ATOM 1543 CA ALA A 107 -16.411 -21.873 14.305 1.00 10.00 C ATOM 1544 C ALA A 107 -17.493 -21.265 15.202 1.00 10.00 C ATOM 1545 O ALA A 107 -18.673 -21.443 14.975 1.00 10.00 O ATOM 1546 CB ALA A 107 -16.021 -23.265 14.803 1.00 50.00 C ATOM 0 H ALA A 107 -14.775 -20.964 15.334 1.00 10.00 H new ATOM 0 HA ALA A 107 -16.815 -21.902 13.293 1.00 10.00 H new ATOM 0 HB1 ALA A 107 -16.891 -23.921 14.768 1.00 50.00 H new ATOM 0 HB2 ALA A 107 -15.234 -23.671 14.168 1.00 50.00 H new ATOM 0 HB3 ALA A 107 -15.660 -23.196 15.829 1.00 50.00 H new ATOM 1552 N ALA A 108 -17.100 -20.548 16.218 1.00 10.00 N ATOM 1553 CA ALA A 108 -18.104 -19.927 17.129 1.00 10.00 C ATOM 1554 C ALA A 108 -18.459 -18.520 16.640 1.00 10.00 C ATOM 1555 O ALA A 108 -18.099 -18.122 15.551 1.00 10.00 O ATOM 1556 CB ALA A 108 -17.416 -19.864 18.493 1.00 50.00 C ATOM 0 H ALA A 108 -16.126 -20.365 16.458 1.00 10.00 H new ATOM 0 HA ALA A 108 -19.034 -20.494 17.169 1.00 10.00 H new ATOM 0 HB1 ALA A 108 -18.093 -19.417 19.222 1.00 50.00 H new ATOM 0 HB2 ALA A 108 -17.151 -20.871 18.814 1.00 50.00 H new ATOM 0 HB3 ALA A 108 -16.513 -19.258 18.417 1.00 50.00 H new ATOM 1562 N ASP A 109 -19.162 -17.764 17.438 1.00 50.00 N ATOM 1563 CA ASP A 109 -19.540 -16.385 17.018 1.00 50.00 C ATOM 1564 C ASP A 109 -18.433 -15.394 17.393 1.00 50.00 C ATOM 1565 O ASP A 109 -17.493 -15.192 16.651 1.00 50.00 O ATOM 1566 CB ASP A 109 -20.828 -16.076 17.781 1.00 50.00 C ATOM 1567 CG ASP A 109 -22.033 -16.487 16.932 1.00 50.00 C ATOM 1568 OD1 ASP A 109 -22.403 -15.723 16.056 1.00 50.00 O ATOM 1569 OD2 ASP A 109 -22.564 -17.558 17.173 1.00 50.00 O ATOM 0 H ASP A 109 -19.491 -18.042 18.363 1.00 50.00 H new ATOM 0 HA ASP A 109 -19.680 -16.305 15.940 1.00 50.00 H new ATOM 0 HB2 ASP A 109 -20.839 -16.611 18.730 1.00 50.00 H new ATOM 0 HB3 ASP A 109 -20.879 -15.012 18.014 1.00 50.00 H new ATOM 1574 N GLU A 110 -18.533 -14.774 18.539 1.00 10.00 N ATOM 1575 CA GLU A 110 -17.480 -13.801 18.951 1.00 10.00 C ATOM 1576 C GLU A 110 -16.284 -14.543 19.550 1.00 10.00 C ATOM 1577 O GLU A 110 -16.296 -14.938 20.699 1.00 10.00 O ATOM 1578 CB GLU A 110 -18.144 -12.909 20.002 1.00 10.00 C ATOM 1579 CG GLU A 110 -18.504 -13.746 21.232 1.00 10.00 C ATOM 1580 CD GLU A 110 -19.641 -13.064 21.996 1.00 50.00 C ATOM 1581 OE1 GLU A 110 -20.788 -13.331 21.674 1.00 50.00 O ATOM 1582 OE2 GLU A 110 -19.346 -12.287 22.888 1.00 50.00 O ATOM 0 H GLU A 110 -19.295 -14.899 19.205 1.00 10.00 H new ATOM 0 HA GLU A 110 -17.104 -13.219 18.109 1.00 10.00 H new ATOM 0 HB2 GLU A 110 -17.471 -12.100 20.285 1.00 10.00 H new ATOM 0 HB3 GLU A 110 -19.041 -12.448 19.588 1.00 10.00 H new ATOM 0 HG2 GLU A 110 -18.805 -14.748 20.928 1.00 10.00 H new ATOM 0 HG3 GLU A 110 -17.633 -13.857 21.878 1.00 10.00 H new ATOM 1589 N VAL A 111 -15.250 -14.740 18.780 1.00 10.00 N ATOM 1590 CA VAL A 111 -14.057 -15.460 19.304 1.00 10.00 C ATOM 1591 C VAL A 111 -12.881 -14.493 19.466 1.00 10.00 C ATOM 1592 O VAL A 111 -12.485 -13.822 18.535 1.00 10.00 O ATOM 1593 CB VAL A 111 -13.740 -16.516 18.247 1.00 12.50 C ATOM 1594 CG1 VAL A 111 -12.648 -17.449 18.770 1.00 12.50 C ATOM 1595 CG2 VAL A 111 -15.002 -17.325 17.943 1.00 12.50 C ATOM 0 H VAL A 111 -15.180 -14.433 17.810 1.00 10.00 H new ATOM 0 HA VAL A 111 -14.239 -15.902 20.283 1.00 10.00 H new ATOM 0 HB VAL A 111 -13.393 -16.028 17.336 1.00 12.50 H new ATOM 0 HG11 VAL A 111 -12.422 -18.203 18.016 1.00 12.50 H new ATOM 0 HG12 VAL A 111 -11.749 -16.872 18.987 1.00 12.50 H new ATOM 0 HG13 VAL A 111 -12.993 -17.939 19.680 1.00 12.50 H new ATOM 0 HG21 VAL A 111 -14.778 -18.079 17.189 1.00 12.50 H new ATOM 0 HG22 VAL A 111 -15.349 -17.814 18.853 1.00 12.50 H new ATOM 0 HG23 VAL A 111 -15.780 -16.659 17.570 1.00 12.50 H new ATOM 1605 N LYS A 112 -12.319 -14.416 20.642 1.00 10.00 N ATOM 1606 CA LYS A 112 -11.169 -13.493 20.855 1.00 10.00 C ATOM 1607 C LYS A 112 -9.847 -14.248 20.696 1.00 10.00 C ATOM 1608 O LYS A 112 -9.722 -15.392 21.085 1.00 10.00 O ATOM 1609 CB LYS A 112 -11.328 -12.984 22.288 1.00 25.00 C ATOM 1610 CG LYS A 112 -12.762 -12.492 22.498 1.00 25.00 C ATOM 1611 CD LYS A 112 -12.750 -11.262 23.408 1.00 25.00 C ATOM 1612 CE LYS A 112 -13.940 -10.363 23.068 1.00 25.00 C ATOM 1613 NZ LYS A 112 -14.927 -10.610 24.157 1.00 25.00 N ATOM 0 H LYS A 112 -12.606 -14.951 21.462 1.00 10.00 H new ATOM 0 HA LYS A 112 -11.156 -12.677 20.133 1.00 10.00 H new ATOM 0 HB2 LYS A 112 -11.098 -13.780 22.996 1.00 25.00 H new ATOM 0 HB3 LYS A 112 -10.623 -12.175 22.478 1.00 25.00 H new ATOM 0 HG2 LYS A 112 -13.217 -12.244 21.539 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -13.367 -13.281 22.943 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -12.800 -11.569 24.453 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -11.817 -10.712 23.281 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -13.646 -9.314 23.031 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -14.357 -10.611 22.092 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -15.774 -10.029 23.996 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -15.193 -11.615 24.163 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -14.504 -10.358 25.073 1.00 25.00 H new ATOM 1627 N ILE A 113 -8.861 -13.615 20.124 1.00 10.00 N ATOM 1628 CA ILE A 113 -7.545 -14.290 19.935 1.00 10.00 C ATOM 1629 C ILE A 113 -6.442 -13.252 19.721 1.00 10.00 C ATOM 1630 O ILE A 113 -6.701 -12.120 19.362 1.00 10.00 O ATOM 1631 CB ILE A 113 -7.717 -15.159 18.688 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -6.459 -16.001 18.472 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -7.945 -14.263 17.470 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -6.702 -16.990 17.328 1.00 10.00 C ATOM 0 H ILE A 113 -8.909 -12.657 19.778 1.00 10.00 H new ATOM 0 HA ILE A 113 -7.257 -14.881 20.804 1.00 10.00 H new ATOM 0 HB ILE A 113 -8.575 -15.818 18.822 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.612 -15.356 18.237 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -6.206 -16.539 19.386 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -8.068 -14.882 16.581 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -8.843 -13.664 17.622 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -7.087 -13.604 17.338 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.807 -17.592 17.171 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -7.538 -17.642 17.582 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -6.934 -16.441 16.416 1.00 10.00 H new ATOM 1646 N VAL A 114 -5.214 -13.632 19.936 1.00 10.00 N ATOM 1647 CA VAL A 114 -4.089 -12.674 19.744 1.00 10.00 C ATOM 1648 C VAL A 114 -3.178 -13.172 18.615 1.00 10.00 C ATOM 1649 O VAL A 114 -2.875 -14.345 18.524 1.00 10.00 O ATOM 1650 CB VAL A 114 -3.368 -12.655 21.106 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -1.855 -12.848 20.938 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -3.623 -11.311 21.793 1.00 50.00 C ATOM 0 H VAL A 114 -4.940 -14.567 20.237 1.00 10.00 H new ATOM 0 HA VAL A 114 -4.410 -11.673 19.454 1.00 10.00 H new ATOM 0 HB VAL A 114 -3.758 -13.475 21.709 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -1.375 -12.830 21.916 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -1.662 -13.807 20.457 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -1.452 -12.045 20.321 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -3.115 -11.293 22.757 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -3.242 -10.504 21.167 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.694 -11.177 21.945 1.00 50.00 H new ATOM 1662 N TYR A 115 -2.736 -12.293 17.758 1.00 10.00 N ATOM 1663 CA TYR A 115 -1.843 -12.733 16.651 1.00 10.00 C ATOM 1664 C TYR A 115 -0.405 -12.275 16.928 1.00 10.00 C ATOM 1665 O TYR A 115 -0.194 -11.288 17.603 1.00 10.00 O ATOM 1666 CB TYR A 115 -2.441 -12.106 15.376 1.00 50.00 C ATOM 1667 CG TYR A 115 -1.732 -10.825 14.989 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -1.551 -9.807 15.930 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -1.265 -10.657 13.679 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -0.902 -8.622 15.565 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -0.616 -9.471 13.313 1.00 50.00 C ATOM 1672 CZ TYR A 115 -0.434 -8.455 14.258 1.00 50.00 C ATOM 1673 OH TYR A 115 0.205 -7.284 13.897 1.00 50.00 O ATOM 0 H TYR A 115 -2.953 -11.296 17.776 1.00 10.00 H new ATOM 0 HA TYR A 115 -1.788 -13.817 16.546 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -2.374 -12.820 14.555 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -3.500 -11.901 15.535 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -1.912 -9.935 16.940 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -1.405 -11.442 12.951 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -0.763 -7.836 16.293 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -0.257 -9.341 12.303 1.00 50.00 H new ATOM 0 HH TYR A 115 0.120 -6.629 14.621 1.00 50.00 H new ATOM 1683 N ASN A 116 0.560 -13.029 16.423 1.00 10.00 N ATOM 1684 CA ASN A 116 2.035 -12.749 16.616 1.00 10.00 C ATOM 1685 C ASN A 116 2.618 -13.703 17.664 1.00 10.00 C ATOM 1686 O ASN A 116 3.639 -13.426 18.261 1.00 10.00 O ATOM 1687 CB ASN A 116 2.207 -11.298 17.086 1.00 10.00 C ATOM 1688 CG ASN A 116 1.612 -10.342 16.051 1.00 10.00 C ATOM 1689 OD1 ASN A 116 0.818 -10.741 15.225 1.00 10.00 O ATOM 1690 ND2 ASN A 116 1.972 -9.088 16.059 1.00 10.00 N ATOM 0 H ASN A 116 0.376 -13.861 15.862 1.00 10.00 H new ATOM 0 HA ASN A 116 2.562 -12.900 15.674 1.00 10.00 H new ATOM 0 HB2 ASN A 116 1.715 -11.158 18.049 1.00 10.00 H new ATOM 0 HB3 ASN A 116 3.264 -11.077 17.233 1.00 10.00 H new ATOM 0 HD21 ASN A 116 1.586 -8.442 15.370 1.00 10.00 H new ATOM 0 HD22 ASN A 116 2.640 -8.753 16.754 1.00 10.00 H new ATOM 1697 N ALA A 117 1.985 -14.823 17.892 1.00 10.00 N ATOM 1698 CA ALA A 117 2.514 -15.785 18.906 1.00 10.00 C ATOM 1699 C ALA A 117 4.026 -15.962 18.739 1.00 10.00 C ATOM 1700 O ALA A 117 4.722 -16.328 19.666 1.00 10.00 O ATOM 1701 CB ALA A 117 1.790 -17.099 18.623 1.00 50.00 C ATOM 0 H ALA A 117 1.127 -15.114 17.422 1.00 10.00 H new ATOM 0 HA ALA A 117 2.347 -15.437 19.925 1.00 10.00 H new ATOM 0 HB1 ALA A 117 2.126 -17.859 19.329 1.00 50.00 H new ATOM 0 HB2 ALA A 117 0.715 -16.953 18.731 1.00 50.00 H new ATOM 0 HB3 ALA A 117 2.012 -17.425 17.607 1.00 50.00 H new HETATM 1707 OH ALY A 118 4.595 -10.730 13.554 1.00 0.00 O HETATM 1708 CH ALY A 118 5.577 -10.051 13.776 1.00 0.00 C HETATM 1709 CH3 ALY A 118 5.763 -8.684 13.113 1.00 0.00 C HETATM 1710 NZ ALY A 118 6.513 -10.459 14.588 1.00 50.00 N HETATM 1711 CE ALY A 118 5.938 -11.272 15.697 1.00 50.00 C HETATM 1712 CD ALY A 118 6.553 -12.662 15.522 1.00 12.50 C HETATM 1713 CG ALY A 118 5.635 -13.711 16.154 1.00 12.50 C HETATM 1714 CB ALY A 118 6.305 -15.083 16.073 1.00 12.50 C HETATM 1715 CA ALY A 118 6.006 -15.870 17.349 1.00 12.50 C HETATM 1716 N ALY A 118 4.541 -15.711 17.567 1.00 12.50 N HETATM 1717 C ALY A 118 6.785 -15.294 18.536 1.00 12.50 C HETATM 1718 O ALY A 118 7.891 -15.707 18.822 1.00 12.50 O HETATM 0 HH33 ALY A 118 5.781 -8.804 12.030 1.00 0.00 H new HETATM 0 HH32 ALY A 118 4.937 -8.029 13.391 1.00 0.00 H new HETATM 0 HH31 ALY A 118 6.703 -8.244 13.445 1.00 0.00 H new HETATM 0 HZ ALY A 118 7.505 -10.250 14.479 1.00 50.00 H new HETATM 0 HG3 ALY A 118 4.676 -13.731 15.637 1.00 12.50 H new HETATM 0 HG2 ALY A 118 5.431 -13.454 17.193 1.00 12.50 H new HETATM 0 HE3 ALY A 118 4.850 -11.310 15.637 1.00 50.00 H new HETATM 0 HE2 ALY A 118 6.189 -10.848 16.669 1.00 50.00 H new HETATM 0 HD3 ALY A 118 7.538 -12.697 15.988 1.00 12.50 H new HETATM 0 HD2 ALY A 118 6.694 -12.878 14.463 1.00 12.50 H new HETATM 0 HCA ALY A 118 6.299 -16.916 17.258 1.00 12.50 H new HETATM 0 HB3 ALY A 118 7.382 -14.967 15.948 1.00 12.50 H new HETATM 0 HB2 ALY A 118 5.939 -15.628 15.203 1.00 12.50 H new HETATM 0 H ALY A 118 3.985 -15.160 16.913 1.00 12.50 H new ATOM 1732 N HIS A 119 6.215 -14.347 19.232 1.00 50.00 N ATOM 1733 CA HIS A 119 6.924 -13.754 20.401 1.00 50.00 C ATOM 1734 C HIS A 119 7.238 -14.843 21.431 1.00 50.00 C ATOM 1735 O HIS A 119 8.228 -14.783 22.131 1.00 50.00 O ATOM 1736 CB HIS A 119 5.943 -12.734 20.981 1.00 50.00 C ATOM 1737 CG HIS A 119 4.729 -13.453 21.501 1.00 50.00 C ATOM 1738 ND1 HIS A 119 4.771 -14.254 22.631 1.00 50.00 N ATOM 1739 CD2 HIS A 119 3.433 -13.507 21.051 1.00 50.00 C ATOM 1740 CE1 HIS A 119 3.536 -14.751 22.821 1.00 50.00 C ATOM 1741 NE2 HIS A 119 2.680 -14.328 21.887 1.00 50.00 N ATOM 0 H HIS A 119 5.291 -13.960 19.042 1.00 50.00 H new ATOM 0 HA HIS A 119 7.872 -13.294 20.123 1.00 50.00 H new ATOM 0 HB2 HIS A 119 6.418 -12.171 21.784 1.00 50.00 H new ATOM 0 HB3 HIS A 119 5.654 -12.014 20.215 1.00 50.00 H new ATOM 0 HD2 HIS A 119 3.055 -12.991 20.181 1.00 50.00 H new ATOM 0 HE1 HIS A 119 3.268 -15.413 23.631 1.00 50.00 H new ATOM 0 HE2 HIS A 119 1.689 -14.557 21.804 1.00 50.00 H new ATOM 1749 N LEU A 120 6.400 -15.839 21.527 1.00 12.50 N ATOM 1750 CA LEU A 120 6.648 -16.932 22.511 1.00 12.50 C ATOM 1751 C LEU A 120 8.078 -17.463 22.365 1.00 12.50 C ATOM 1752 O LEU A 120 8.487 -17.881 21.298 1.00 12.50 O ATOM 1753 CB LEU A 120 5.636 -18.021 22.160 1.00 12.50 C ATOM 1754 CG LEU A 120 4.899 -18.467 23.426 1.00 12.50 C ATOM 1755 CD1 LEU A 120 4.000 -19.660 23.098 1.00 12.50 C ATOM 1756 CD2 LEU A 120 5.918 -18.875 24.492 1.00 12.50 C ATOM 0 H LEU A 120 5.554 -15.944 20.967 1.00 12.50 H new ATOM 0 HA LEU A 120 6.539 -16.591 23.540 1.00 12.50 H new ATOM 0 HB2 LEU A 120 4.923 -17.646 21.426 1.00 12.50 H new ATOM 0 HB3 LEU A 120 6.145 -18.871 21.705 1.00 12.50 H new ATOM 0 HG LEU A 120 4.290 -17.645 23.801 1.00 12.50 H new ATOM 0 HD11 LEU A 120 3.475 -19.978 23.999 1.00 12.50 H new ATOM 0 HD12 LEU A 120 3.274 -19.371 22.338 1.00 12.50 H new ATOM 0 HD13 LEU A 120 4.609 -20.483 22.723 1.00 12.50 H new ATOM 0 HD21 LEU A 120 5.394 -19.193 25.394 1.00 12.50 H new ATOM 0 HD22 LEU A 120 6.527 -19.698 24.117 1.00 12.50 H new ATOM 0 HD23 LEU A 120 6.560 -18.026 24.726 1.00 12.50 H new ATOM 1768 N ASP A 121 8.838 -17.452 23.425 1.00 50.00 N ATOM 1769 CA ASP A 121 10.238 -17.960 23.341 1.00 50.00 C ATOM 1770 C ASP A 121 10.236 -19.448 22.982 1.00 50.00 C ATOM 1771 O ASP A 121 11.070 -19.916 22.232 1.00 50.00 O ATOM 1772 CB ASP A 121 10.826 -17.745 24.737 1.00 50.00 C ATOM 1773 CG ASP A 121 10.145 -18.689 25.730 1.00 50.00 C ATOM 1774 OD1 ASP A 121 8.938 -18.842 25.638 1.00 50.00 O ATOM 1775 OD2 ASP A 121 10.842 -19.242 26.563 1.00 50.00 O ATOM 0 H ASP A 121 8.552 -17.114 24.344 1.00 50.00 H new ATOM 0 HA ASP A 121 10.818 -17.447 22.574 1.00 50.00 H new ATOM 0 HB2 ASP A 121 11.900 -17.929 24.723 1.00 50.00 H new ATOM 0 HB3 ASP A 121 10.684 -16.710 25.047 1.00 50.00 H new ATOM 1780 N TYR A 122 9.304 -20.195 23.509 1.00 16.66 N ATOM 1781 CA TYR A 122 9.250 -21.650 23.192 1.00 16.66 C ATOM 1782 C TYR A 122 9.056 -21.849 21.688 1.00 16.66 C ATOM 1783 O TYR A 122 9.405 -22.874 21.135 1.00 16.66 O ATOM 1784 CB TYR A 122 8.041 -22.180 23.963 1.00 16.66 C ATOM 1785 CG TYR A 122 7.755 -23.602 23.542 1.00 16.66 C ATOM 1786 CD1 TYR A 122 8.582 -24.640 23.985 1.00 16.66 C ATOM 1787 CD2 TYR A 122 6.663 -23.880 22.710 1.00 16.66 C ATOM 1788 CE1 TYR A 122 8.317 -25.960 23.596 1.00 16.66 C ATOM 1789 CE2 TYR A 122 6.398 -25.199 22.323 1.00 16.66 C ATOM 1790 CZ TYR A 122 7.225 -26.239 22.765 1.00 16.66 C ATOM 1791 OH TYR A 122 6.964 -27.539 22.383 1.00 16.66 O ATOM 0 H TYR A 122 8.579 -19.861 24.144 1.00 16.66 H new ATOM 0 HA TYR A 122 10.167 -22.170 23.469 1.00 16.66 H new ATOM 0 HB2 TYR A 122 8.234 -22.139 25.035 1.00 16.66 H new ATOM 0 HB3 TYR A 122 7.171 -21.552 23.772 1.00 16.66 H new ATOM 0 HD1 TYR A 122 9.424 -24.424 24.626 1.00 16.66 H new ATOM 0 HD2 TYR A 122 6.026 -23.078 22.367 1.00 16.66 H new ATOM 0 HE1 TYR A 122 8.955 -26.762 23.937 1.00 16.66 H new ATOM 0 HE2 TYR A 122 5.555 -25.415 21.683 1.00 16.66 H new ATOM 0 HH TYR A 122 6.171 -27.558 21.808 1.00 16.66 H new ATOM 1801 N LEU A 123 8.504 -20.873 21.021 1.00 50.00 N ATOM 1802 CA LEU A 123 8.287 -20.998 19.552 1.00 50.00 C ATOM 1803 C LEU A 123 9.589 -20.703 18.802 1.00 50.00 C ATOM 1804 O LEU A 123 10.014 -21.462 17.953 1.00 50.00 O ATOM 1805 CB LEU A 123 7.228 -19.948 19.220 1.00 50.00 C ATOM 1806 CG LEU A 123 6.157 -20.565 18.318 1.00 50.00 C ATOM 1807 CD1 LEU A 123 4.816 -20.575 19.053 1.00 50.00 C ATOM 1808 CD2 LEU A 123 6.032 -19.738 17.037 1.00 50.00 C ATOM 0 H LEU A 123 8.193 -19.992 21.431 1.00 50.00 H new ATOM 0 HA LEU A 123 7.972 -22.000 19.262 1.00 50.00 H new ATOM 0 HB2 LEU A 123 6.773 -19.573 20.137 1.00 50.00 H new ATOM 0 HB3 LEU A 123 7.690 -19.096 18.722 1.00 50.00 H new ATOM 0 HG LEU A 123 6.439 -21.587 18.064 1.00 50.00 H new ATOM 0 HD11 LEU A 123 4.053 -21.014 18.411 1.00 50.00 H new ATOM 0 HD12 LEU A 123 4.906 -21.164 19.966 1.00 50.00 H new ATOM 0 HD13 LEU A 123 4.533 -19.554 19.307 1.00 50.00 H new ATOM 0 HD21 LEU A 123 5.269 -20.177 16.394 1.00 50.00 H new ATOM 0 HD22 LEU A 123 5.750 -18.716 17.290 1.00 50.00 H new ATOM 0 HD23 LEU A 123 6.988 -19.731 16.514 1.00 50.00 H new ATOM 1820 N GLN A 124 10.227 -19.605 19.110 1.00 50.00 N ATOM 1821 CA GLN A 124 11.501 -19.265 18.414 1.00 50.00 C ATOM 1822 C GLN A 124 12.477 -20.439 18.496 1.00 50.00 C ATOM 1823 O GLN A 124 13.253 -20.681 17.592 1.00 50.00 O ATOM 1824 CB GLN A 124 12.053 -18.053 19.165 1.00 50.00 C ATOM 1825 CG GLN A 124 11.500 -16.770 18.541 1.00 50.00 C ATOM 1826 CD GLN A 124 11.482 -15.658 19.590 1.00 50.00 C ATOM 1827 OE1 GLN A 124 12.606 -15.097 19.946 1.00 50.00 O flip ATOM 1828 NE2 GLN A 124 10.437 -15.297 20.093 1.00 50.00 N flip ATOM 0 H GLN A 124 9.921 -18.931 19.812 1.00 50.00 H new ATOM 0 HA GLN A 124 11.349 -19.052 17.356 1.00 50.00 H new ATOM 0 HB2 GLN A 124 11.775 -18.107 20.218 1.00 50.00 H new ATOM 0 HB3 GLN A 124 13.142 -18.051 19.122 1.00 50.00 H new ATOM 0 HG2 GLN A 124 12.114 -16.473 17.691 1.00 50.00 H new ATOM 0 HG3 GLN A 124 10.493 -16.943 18.162 1.00 50.00 H new ATOM 0 HE21 GLN A 124 9.559 -15.735 19.815 1.00 50.00 H new ATOM 0 HE22 GLN A 124 10.438 -14.556 20.793 1.00 50.00 H new ATOM 1837 N ASN A 125 12.443 -21.171 19.573 1.00 50.00 N ATOM 1838 CA ASN A 125 13.366 -22.334 19.716 1.00 50.00 C ATOM 1839 C ASN A 125 13.361 -23.173 18.436 1.00 50.00 C ATOM 1840 O ASN A 125 14.355 -23.766 18.067 1.00 50.00 O ATOM 1841 CB ASN A 125 12.807 -23.140 20.888 1.00 50.00 C ATOM 1842 CG ASN A 125 13.963 -23.742 21.692 1.00 50.00 C ATOM 1843 OD1 ASN A 125 15.033 -24.149 21.066 1.00 50.00 O flip ATOM 1844 ND2 ASN A 125 13.889 -23.843 22.900 1.00 50.00 N flip ATOM 0 H ASN A 125 11.816 -21.015 20.362 1.00 50.00 H new ATOM 0 HA ASN A 125 14.397 -22.025 19.889 1.00 50.00 H new ATOM 0 HB2 ASN A 125 12.200 -22.499 21.528 1.00 50.00 H new ATOM 0 HB3 ASN A 125 12.155 -23.932 20.520 1.00 50.00 H new ATOM 0 HD21 ASN A 125 13.052 -23.524 23.388 1.00 50.00 H new ATOM 0 HD22 ASN A 125 14.664 -24.246 23.426 1.00 50.00 H new ATOM 1851 N ARG A 126 12.248 -23.229 17.758 1.00 50.00 N ATOM 1852 CA ARG A 126 12.179 -24.031 16.503 1.00 50.00 C ATOM 1853 C ARG A 126 13.284 -23.597 15.537 1.00 50.00 C ATOM 1854 O ARG A 126 13.797 -24.388 14.770 1.00 50.00 O ATOM 1855 CB ARG A 126 10.802 -23.724 15.913 1.00 50.00 C ATOM 1856 CG ARG A 126 9.765 -24.673 16.518 1.00 50.00 C ATOM 1857 CD ARG A 126 9.324 -25.690 15.463 1.00 50.00 C ATOM 1858 NE ARG A 126 9.468 -27.016 16.127 1.00 50.00 N ATOM 1859 CZ ARG A 126 8.929 -28.077 15.590 1.00 50.00 C ATOM 1860 NH1 ARG A 126 7.682 -28.052 15.208 1.00 50.00 N ATOM 1861 NH2 ARG A 126 9.636 -29.162 15.436 1.00 50.00 N ATOM 0 H ARG A 126 11.383 -22.754 18.018 1.00 50.00 H new ATOM 0 HA ARG A 126 12.317 -25.097 16.686 1.00 50.00 H new ATOM 0 HB2 ARG A 126 10.528 -22.689 16.120 1.00 50.00 H new ATOM 0 HB3 ARG A 126 10.825 -23.837 14.829 1.00 50.00 H new ATOM 0 HG2 ARG A 126 10.188 -25.188 17.380 1.00 50.00 H new ATOM 0 HG3 ARG A 126 8.904 -24.108 16.875 1.00 50.00 H new ATOM 0 HD2 ARG A 126 8.295 -25.514 15.150 1.00 50.00 H new ATOM 0 HD3 ARG A 126 9.944 -25.626 14.569 1.00 50.00 H new ATOM 0 HE ARG A 126 9.988 -27.095 17.001 1.00 50.00 H new ATOM 0 HH11 ARG A 126 7.128 -27.204 15.329 1.00 50.00 H new ATOM 0 HH12 ARG A 126 7.260 -28.881 14.788 1.00 50.00 H new ATOM 0 HH21 ARG A 126 10.611 -29.182 15.735 1.00 50.00 H new ATOM 0 HH22 ARG A 126 9.214 -29.990 15.016 1.00 50.00 H new ATOM 1875 N VAL A 127 13.654 -22.346 15.567 1.00 50.00 N ATOM 1876 CA VAL A 127 14.724 -21.863 14.649 1.00 50.00 C ATOM 1877 C VAL A 127 16.078 -22.451 15.057 1.00 50.00 C ATOM 1878 O VAL A 127 16.919 -22.733 14.226 1.00 50.00 O ATOM 1879 CB VAL A 127 14.726 -20.343 14.812 1.00 50.00 C ATOM 1880 CG1 VAL A 127 15.691 -19.720 13.800 1.00 50.00 C ATOM 1881 CG2 VAL A 127 13.314 -19.804 14.571 1.00 50.00 C ATOM 0 H VAL A 127 13.262 -21.638 16.187 1.00 50.00 H new ATOM 0 HA VAL A 127 14.549 -22.162 13.616 1.00 50.00 H new ATOM 0 HB VAL A 127 15.046 -20.086 15.822 1.00 50.00 H new ATOM 0 HG11 VAL A 127 15.691 -18.636 13.917 1.00 50.00 H new ATOM 0 HG12 VAL A 127 16.696 -20.104 13.972 1.00 50.00 H new ATOM 0 HG13 VAL A 127 15.373 -19.975 12.789 1.00 50.00 H new ATOM 0 HG21 VAL A 127 13.314 -18.720 14.687 1.00 50.00 H new ATOM 0 HG22 VAL A 127 12.994 -20.061 13.561 1.00 50.00 H new ATOM 0 HG23 VAL A 127 12.628 -20.246 15.293 1.00 50.00 H new ATOM 1891 N ILE A 128 16.297 -22.636 16.330 1.00 50.00 N ATOM 1892 CA ILE A 128 17.597 -23.206 16.789 1.00 50.00 C ATOM 1893 C ILE A 128 18.001 -24.385 15.900 1.00 50.00 C ATOM 1894 O ILE A 128 17.114 -25.017 15.349 1.00 50.00 O ATOM 1895 CB ILE A 128 17.337 -23.677 18.221 1.00 50.00 C ATOM 1896 CG1 ILE A 128 17.147 -22.461 19.131 1.00 50.00 C ATOM 1897 CG2 ILE A 128 18.529 -24.502 18.711 1.00 50.00 C ATOM 1898 CD1 ILE A 128 18.484 -21.737 19.303 1.00 50.00 C ATOM 1899 OXT ILE A 128 19.189 -24.634 15.785 1.00 50.00 O ATOM 0 H ILE A 128 15.633 -22.417 17.072 1.00 50.00 H new ATOM 0 HA ILE A 128 18.408 -22.480 16.739 1.00 50.00 H new ATOM 0 HB ILE A 128 16.437 -24.292 18.244 1.00 50.00 H new ATOM 0 HG12 ILE A 128 16.408 -21.785 18.702 1.00 50.00 H new ATOM 0 HG13 ILE A 128 16.765 -22.776 20.102 1.00 50.00 H new ATOM 0 HG21 ILE A 128 18.344 -24.838 19.731 1.00 50.00 H new ATOM 0 HG22 ILE A 128 18.663 -25.368 18.063 1.00 50.00 H new ATOM 0 HG23 ILE A 128 19.430 -23.889 18.688 1.00 50.00 H new ATOM 0 HD11 ILE A 128 18.348 -20.871 19.951 1.00 50.00 H new ATOM 0 HD12 ILE A 128 19.210 -22.415 19.751 1.00 50.00 H new ATOM 0 HD13 ILE A 128 18.848 -21.408 18.329 1.00 50.00 H new TER 1911 ILE A 128 HETATM 1912 FE1 FES A 130 2.766 -23.393 9.716 1.00 0.00 FE HETATM 1913 FE2 FES A 130 0.533 -22.033 10.240 1.00 0.00 FE HETATM 1914 S1 FES A 130 2.238 -21.344 8.943 1.00 0.00 S HETATM 1915 S2 FES A 130 1.120 -24.020 11.115 1.00 0.00 S