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 115 TYR OH : rot -87:sc= 0.655 USER MOD Set 1.2: A 116 ASN : amide:sc= -0.759 K(o=-0.1,f=-4.2!) USER MOD Set 2.1: A 82 MET CE :methyl -151:sc=-0.00497 (180deg=-0.738) USER MOD Set 2.2: A 85 GLN : amide:sc= -0.0211 K(o=-0.026,f=0.5) USER MOD Set 3.1: A 5 TYR OH : rot 54:sc= -0.0754 USER MOD Set 3.2: A 55 GLN : amide:sc= 0 X(o=-0.075,f=0.021) USER MOD Set 3.3: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 7 ASN : amide:sc= -8.29! C(o=-9.9!,f=-17!) USER MOD Set 4.2: A 10 THR OG1 : rot -170:sc= -1.63! USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot -146:sc= -0.407 USER MOD Single : A 14 GLN : amide:sc= -0.408 K(o=-0.41,f=-3.2!) 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 41:sc= 1.07 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 40 MET CE :methyl -107:sc= -9.69! (180deg=-18.1!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 73 SER OG : rot 5:sc= 0.755 USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= -1.05 (180deg=-1.23) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -177:sc= 0.00577 (180deg=0.00574) USER MOD Single : A 119 HIS : no HD1:sc= -1.49 X(o=-1.5,f=-1.5) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -1.02 K(o=-1,f=-4.6!) USER MOD Single : A 125 ASN : amide:sc= -1.25 K(o=-1.3,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -19.479 -14.999 13.422 1.00 3.92 N ATOM 2 CA PRO A 1 -18.019 -15.279 13.340 1.00 3.44 C ATOM 3 C PRO A 1 -17.216 -13.996 13.577 1.00 3.50 C ATOM 4 O PRO A 1 -16.417 -13.591 12.756 1.00 4.94 O ATOM 5 CB PRO A 1 -17.821 -15.787 11.917 1.00 2.00 C ATOM 6 CG PRO A 1 -18.958 -15.204 11.144 1.00 4.99 C ATOM 7 CD PRO A 1 -20.112 -15.072 12.101 1.00 3.38 C ATOM 0 H2 PRO A 1 -19.628 -14.072 13.822 1.00 3.92 H new ATOM 0 H3 PRO A 1 -19.921 -15.670 14.051 1.00 3.92 H new ATOM 0 HA PRO A 1 -17.681 -15.995 14.089 1.00 3.44 H new ATOM 0 HB2 PRO A 1 -16.861 -15.466 11.512 1.00 2.00 H new ATOM 0 HB3 PRO A 1 -17.834 -16.876 11.880 1.00 2.00 H new ATOM 0 HG2 PRO A 1 -18.686 -14.233 10.730 1.00 4.99 H new ATOM 0 HG3 PRO A 1 -19.224 -15.846 10.304 1.00 4.99 H new ATOM 0 HD2 PRO A 1 -20.702 -14.179 11.892 1.00 3.38 H new ATOM 0 HD3 PRO A 1 -20.788 -15.924 12.030 1.00 3.38 H new ATOM 17 N THR A 2 -17.419 -13.357 14.695 1.00 3.08 N ATOM 18 CA THR A 2 -16.665 -12.104 14.985 1.00 2.08 C ATOM 19 C THR A 2 -15.419 -12.424 15.813 1.00 2.52 C ATOM 20 O THR A 2 -15.501 -12.712 16.991 1.00 2.28 O ATOM 21 CB THR A 2 -17.636 -11.233 15.785 1.00 3.47 C ATOM 22 OG1 THR A 2 -18.730 -10.864 14.958 1.00 3.73 O ATOM 23 CG2 THR A 2 -16.915 -9.975 16.272 1.00 3.09 C ATOM 0 H THR A 2 -18.074 -13.647 15.421 1.00 3.08 H new ATOM 0 HA THR A 2 -16.325 -11.603 14.078 1.00 2.08 H new ATOM 0 HB THR A 2 -18.003 -11.794 16.645 1.00 3.47 H new ATOM 0 HG1 THR A 2 -19.354 -10.307 15.470 1.00 3.73 H new ATOM 0 HG21 THR A 2 -17.608 -9.356 16.842 1.00 3.09 H new ATOM 0 HG22 THR A 2 -16.076 -10.259 16.907 1.00 3.09 H new ATOM 0 HG23 THR A 2 -16.546 -9.412 15.415 1.00 3.09 H new ATOM 31 N VAL A 3 -14.265 -12.379 15.205 1.00 10.00 N ATOM 32 CA VAL A 3 -13.016 -12.684 15.958 1.00 10.00 C ATOM 33 C VAL A 3 -12.166 -11.421 16.108 1.00 10.00 C ATOM 34 O VAL A 3 -11.582 -10.941 15.158 1.00 10.00 O ATOM 35 CB VAL A 3 -12.288 -13.724 15.106 1.00 10.00 C ATOM 36 CG1 VAL A 3 -10.890 -13.966 15.680 1.00 10.00 C ATOM 37 CG2 VAL A 3 -13.077 -15.035 15.115 1.00 10.00 C ATOM 0 H VAL A 3 -14.133 -12.145 14.221 1.00 10.00 H new ATOM 0 HA VAL A 3 -13.218 -13.049 16.965 1.00 10.00 H new ATOM 0 HB VAL A 3 -12.202 -13.359 14.083 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -10.371 -14.707 15.073 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -10.327 -13.033 15.673 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -10.975 -14.331 16.704 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -12.558 -15.776 14.508 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -13.164 -15.401 16.138 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -14.073 -14.863 14.706 1.00 10.00 H new ATOM 47 N GLU A 4 -12.089 -10.877 17.291 1.00 10.00 N ATOM 48 CA GLU A 4 -11.270 -9.645 17.488 1.00 10.00 C ATOM 49 C GLU A 4 -9.793 -10.016 17.651 1.00 10.00 C ATOM 50 O GLU A 4 -9.421 -10.753 18.542 1.00 10.00 O ATOM 51 CB GLU A 4 -11.811 -9.003 18.767 1.00 50.00 C ATOM 52 CG GLU A 4 -11.715 -10.000 19.923 1.00 50.00 C ATOM 53 CD GLU A 4 -13.047 -10.038 20.674 1.00 50.00 C ATOM 54 OE1 GLU A 4 -14.059 -10.274 20.035 1.00 50.00 O ATOM 55 OE2 GLU A 4 -13.033 -9.829 21.876 1.00 50.00 O ATOM 0 H GLU A 4 -12.555 -11.229 18.127 1.00 10.00 H new ATOM 0 HA GLU A 4 -11.335 -8.965 16.638 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -11.243 -8.103 19.002 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -12.847 -8.698 18.622 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -11.471 -10.992 19.543 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -10.911 -9.712 20.600 1.00 50.00 H new ATOM 62 N TYR A 5 -8.949 -9.515 16.789 1.00 10.00 N ATOM 63 CA TYR A 5 -7.498 -9.847 16.888 1.00 10.00 C ATOM 64 C TYR A 5 -6.742 -8.763 17.665 1.00 10.00 C ATOM 65 O TYR A 5 -7.108 -7.604 17.656 1.00 10.00 O ATOM 66 CB TYR A 5 -7.006 -9.909 15.441 1.00 10.00 C ATOM 67 CG TYR A 5 -7.235 -8.575 14.770 1.00 10.00 C ATOM 68 CD1 TYR A 5 -6.367 -7.507 15.022 1.00 10.00 C ATOM 69 CD2 TYR A 5 -8.314 -8.407 13.894 1.00 10.00 C ATOM 70 CE1 TYR A 5 -6.576 -6.271 14.398 1.00 50.00 C ATOM 71 CE2 TYR A 5 -8.525 -7.172 13.269 1.00 50.00 C ATOM 72 CZ TYR A 5 -7.656 -6.104 13.522 1.00 50.00 C ATOM 73 OH TYR A 5 -7.862 -4.886 12.906 1.00 50.00 O ATOM 0 H TYR A 5 -9.201 -8.891 16.022 1.00 10.00 H new ATOM 0 HA TYR A 5 -7.332 -10.783 17.420 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -5.946 -10.162 15.417 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -7.534 -10.695 14.900 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -5.535 -7.636 15.698 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -8.985 -9.231 13.700 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -5.905 -5.447 14.592 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -9.357 -7.043 12.593 1.00 50.00 H new ATOM 0 HH TYR A 5 -7.042 -4.609 12.447 1.00 50.00 H new ATOM 83 N LEU A 6 -5.684 -9.140 18.333 1.00 10.00 N ATOM 84 CA LEU A 6 -4.887 -8.148 19.112 1.00 10.00 C ATOM 85 C LEU A 6 -3.392 -8.455 18.966 1.00 10.00 C ATOM 86 O LEU A 6 -2.952 -9.562 19.206 1.00 10.00 O ATOM 87 CB LEU A 6 -5.329 -8.338 20.564 1.00 12.50 C ATOM 88 CG LEU A 6 -5.723 -6.987 21.166 1.00 12.50 C ATOM 89 CD1 LEU A 6 -6.118 -7.181 22.631 1.00 50.00 C ATOM 90 CD2 LEU A 6 -4.537 -6.022 21.084 1.00 50.00 C ATOM 0 H LEU A 6 -5.336 -10.098 18.373 1.00 10.00 H new ATOM 0 HA LEU A 6 -5.044 -7.125 18.769 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -6.172 -9.027 20.610 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -4.521 -8.784 21.145 1.00 12.50 H new ATOM 0 HG LEU A 6 -6.565 -6.574 20.610 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -6.399 -6.220 23.062 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -6.963 -7.867 22.692 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -5.274 -7.594 23.184 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -4.820 -5.061 21.513 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -3.694 -6.433 21.639 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -4.252 -5.884 20.041 1.00 50.00 H new ATOM 102 N ASN A 7 -2.607 -7.490 18.570 1.00 10.00 N ATOM 103 CA ASN A 7 -1.145 -7.745 18.409 1.00 10.00 C ATOM 104 C ASN A 7 -0.539 -8.221 19.731 1.00 10.00 C ATOM 105 O ASN A 7 -0.621 -7.553 20.742 1.00 10.00 O ATOM 106 CB ASN A 7 -0.542 -6.402 17.996 1.00 10.00 C ATOM 107 CG ASN A 7 -0.892 -5.338 19.037 1.00 10.00 C ATOM 108 OD1 ASN A 7 -1.631 -5.597 19.965 1.00 12.50 O ATOM 109 ND2 ASN A 7 -0.385 -4.141 18.918 1.00 12.50 N ATOM 0 H ASN A 7 -2.911 -6.541 18.352 1.00 10.00 H new ATOM 0 HA ASN A 7 -0.946 -8.522 17.671 1.00 10.00 H new ATOM 0 HB2 ASN A 7 0.540 -6.492 17.903 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -0.922 -6.107 17.018 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -0.609 -3.421 19.605 1.00 12.50 H new ATOM 0 HD22 ASN A 7 0.236 -3.925 18.138 1.00 12.50 H new ATOM 116 N TYR A 8 0.079 -9.370 19.725 1.00 50.00 N ATOM 117 CA TYR A 8 0.698 -9.893 20.976 1.00 50.00 C ATOM 118 C TYR A 8 1.689 -8.868 21.536 1.00 50.00 C ATOM 119 O TYR A 8 2.081 -8.929 22.684 1.00 50.00 O ATOM 120 CB TYR A 8 1.425 -11.169 20.548 1.00 50.00 C ATOM 121 CG TYR A 8 2.405 -11.582 21.619 1.00 50.00 C ATOM 122 CD1 TYR A 8 1.991 -12.417 22.664 1.00 50.00 C ATOM 123 CD2 TYR A 8 3.728 -11.129 21.566 1.00 50.00 C ATOM 124 CE1 TYR A 8 2.903 -12.799 23.657 1.00 50.00 C ATOM 125 CE2 TYR A 8 4.639 -11.510 22.558 1.00 50.00 C ATOM 126 CZ TYR A 8 4.226 -12.346 23.603 1.00 50.00 C ATOM 127 OH TYR A 8 5.124 -12.722 24.581 1.00 50.00 O ATOM 0 H TYR A 8 0.182 -9.970 18.907 1.00 50.00 H new ATOM 0 HA TYR A 8 -0.036 -10.086 21.758 1.00 50.00 H new ATOM 0 HB2 TYR A 8 0.704 -11.968 20.374 1.00 50.00 H new ATOM 0 HB3 TYR A 8 1.949 -11.002 19.607 1.00 50.00 H new ATOM 0 HD1 TYR A 8 0.970 -12.766 22.705 1.00 50.00 H new ATOM 0 HD2 TYR A 8 4.046 -10.485 20.759 1.00 50.00 H new ATOM 0 HE1 TYR A 8 2.585 -13.443 24.464 1.00 50.00 H new ATOM 0 HE2 TYR A 8 5.660 -11.160 22.518 1.00 50.00 H new ATOM 0 HH TYR A 8 5.754 -11.990 24.745 1.00 50.00 H new ATOM 137 N GLU A 9 2.096 -7.926 20.729 1.00 25.00 N ATOM 138 CA GLU A 9 3.060 -6.896 21.210 1.00 25.00 C ATOM 139 C GLU A 9 2.405 -6.013 22.274 1.00 25.00 C ATOM 140 O GLU A 9 2.972 -5.757 23.318 1.00 25.00 O ATOM 141 CB GLU A 9 3.407 -6.070 19.971 1.00 50.00 C ATOM 142 CG GLU A 9 4.924 -6.057 19.773 1.00 50.00 C ATOM 143 CD GLU A 9 5.296 -4.965 18.767 1.00 50.00 C ATOM 144 OE1 GLU A 9 4.988 -3.815 19.032 1.00 50.00 O ATOM 145 OE2 GLU A 9 5.881 -5.298 17.749 1.00 50.00 O ATOM 0 H GLU A 9 1.802 -7.825 19.757 1.00 25.00 H new ATOM 0 HA GLU A 9 3.944 -7.341 21.666 1.00 25.00 H new ATOM 0 HB2 GLU A 9 2.919 -6.491 19.092 1.00 50.00 H new ATOM 0 HB3 GLU A 9 3.036 -5.051 20.085 1.00 50.00 H new ATOM 0 HG2 GLU A 9 5.424 -5.876 20.724 1.00 50.00 H new ATOM 0 HG3 GLU A 9 5.263 -7.029 19.414 1.00 50.00 H new ATOM 152 N THR A 10 1.213 -5.547 22.020 1.00 50.00 N ATOM 153 CA THR A 10 0.526 -4.683 23.022 1.00 50.00 C ATOM 154 C THR A 10 0.346 -5.449 24.333 1.00 50.00 C ATOM 155 O THR A 10 0.322 -4.873 25.403 1.00 50.00 O ATOM 156 CB THR A 10 -0.833 -4.353 22.401 1.00 50.00 C ATOM 157 OG1 THR A 10 -0.640 -3.539 21.253 1.00 50.00 O ATOM 158 CG2 THR A 10 -1.695 -3.604 23.419 1.00 50.00 C ATOM 0 H THR A 10 0.686 -5.726 21.165 1.00 50.00 H new ATOM 0 HA THR A 10 1.094 -3.782 23.252 1.00 50.00 H new ATOM 0 HB THR A 10 -1.335 -5.277 22.114 1.00 50.00 H new ATOM 0 HG1 THR A 10 -1.505 -3.196 20.946 1.00 50.00 H new ATOM 0 HG21 THR A 10 -2.662 -3.370 22.975 1.00 50.00 H new ATOM 0 HG22 THR A 10 -1.842 -4.228 24.300 1.00 50.00 H new ATOM 0 HG23 THR A 10 -1.196 -2.679 23.708 1.00 50.00 H new ATOM 166 N LEU A 11 0.225 -6.746 24.257 1.00 50.00 N ATOM 167 CA LEU A 11 0.051 -7.553 25.499 1.00 50.00 C ATOM 168 C LEU A 11 1.359 -7.579 26.294 1.00 50.00 C ATOM 169 O LEU A 11 1.382 -7.323 27.481 1.00 50.00 O ATOM 170 CB LEU A 11 -0.310 -8.956 25.013 1.00 50.00 C ATOM 171 CG LEU A 11 -0.365 -9.913 26.206 1.00 50.00 C ATOM 172 CD1 LEU A 11 -1.239 -9.309 27.306 1.00 50.00 C ATOM 173 CD2 LEU A 11 -0.959 -11.250 25.760 1.00 50.00 C ATOM 0 H LEU A 11 0.239 -7.282 23.389 1.00 50.00 H new ATOM 0 HA LEU A 11 -0.715 -7.142 26.157 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -1.273 -8.939 24.503 1.00 50.00 H new ATOM 0 HB3 LEU A 11 0.428 -9.302 24.289 1.00 50.00 H new ATOM 0 HG LEU A 11 0.643 -10.072 26.590 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -1.278 -9.991 28.155 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -0.816 -8.356 27.625 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -2.247 -9.149 26.923 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -0.998 -11.932 26.609 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -1.966 -11.090 25.376 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -0.336 -11.682 24.977 1.00 50.00 H new ATOM 185 N ASP A 12 2.451 -7.885 25.646 1.00 50.00 N ATOM 186 CA ASP A 12 3.757 -7.923 26.364 1.00 50.00 C ATOM 187 C ASP A 12 4.307 -6.505 26.531 1.00 50.00 C ATOM 188 O ASP A 12 4.812 -6.143 27.575 1.00 50.00 O ATOM 189 CB ASP A 12 4.677 -8.756 25.472 1.00 50.00 C ATOM 190 CG ASP A 12 5.024 -10.067 26.180 1.00 50.00 C ATOM 191 OD1 ASP A 12 4.149 -10.617 26.827 1.00 50.00 O ATOM 192 OD2 ASP A 12 6.159 -10.498 26.063 1.00 50.00 O ATOM 0 H ASP A 12 2.495 -8.110 24.652 1.00 50.00 H new ATOM 0 HA ASP A 12 3.668 -8.349 27.363 1.00 50.00 H new ATOM 0 HB2 ASP A 12 4.188 -8.963 24.520 1.00 50.00 H new ATOM 0 HB3 ASP A 12 5.587 -8.199 25.249 1.00 50.00 H new ATOM 197 N ASP A 13 4.212 -5.699 25.509 1.00 50.00 N ATOM 198 CA ASP A 13 4.728 -4.304 25.608 1.00 50.00 C ATOM 199 C ASP A 13 4.110 -3.596 26.817 1.00 50.00 C ATOM 200 O ASP A 13 4.786 -2.920 27.566 1.00 50.00 O ATOM 201 CB ASP A 13 4.291 -3.629 24.308 1.00 50.00 C ATOM 202 CG ASP A 13 4.838 -2.200 24.265 1.00 50.00 C ATOM 203 OD1 ASP A 13 4.209 -1.328 24.842 1.00 50.00 O ATOM 204 OD2 ASP A 13 5.875 -2.002 23.654 1.00 50.00 O ATOM 0 H ASP A 13 3.799 -5.946 24.610 1.00 50.00 H new ATOM 0 HA ASP A 13 5.809 -4.271 25.741 1.00 50.00 H new ATOM 0 HB2 ASP A 13 4.656 -4.195 23.451 1.00 50.00 H new ATOM 0 HB3 ASP A 13 3.203 -3.615 24.241 1.00 50.00 H new ATOM 209 N GLN A 14 2.828 -3.748 27.010 1.00 50.00 N ATOM 210 CA GLN A 14 2.164 -3.084 28.168 1.00 50.00 C ATOM 211 C GLN A 14 2.240 -3.980 29.408 1.00 50.00 C ATOM 212 O GLN A 14 2.239 -3.508 30.528 1.00 50.00 O ATOM 213 CB GLN A 14 0.711 -2.894 27.734 1.00 50.00 C ATOM 214 CG GLN A 14 0.672 -2.198 26.371 1.00 50.00 C ATOM 215 CD GLN A 14 0.020 -0.823 26.519 1.00 50.00 C ATOM 216 OE1 GLN A 14 -0.175 -0.345 27.619 1.00 50.00 O ATOM 217 NE2 GLN A 14 -0.328 -0.161 25.449 1.00 50.00 N ATOM 0 H GLN A 14 2.212 -4.303 26.416 1.00 50.00 H new ATOM 0 HA GLN A 14 2.639 -2.139 28.430 1.00 50.00 H new ATOM 0 HB2 GLN A 14 0.209 -3.860 27.676 1.00 50.00 H new ATOM 0 HB3 GLN A 14 0.174 -2.299 28.473 1.00 50.00 H new ATOM 0 HG2 GLN A 14 1.682 -2.093 25.976 1.00 50.00 H new ATOM 0 HG3 GLN A 14 0.112 -2.803 25.658 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -0.164 -0.562 24.525 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -0.763 0.757 25.536 1.00 50.00 H new ATOM 226 N GLY A 15 2.305 -5.270 29.216 1.00 50.00 N ATOM 227 CA GLY A 15 2.380 -6.193 30.383 1.00 50.00 C ATOM 228 C GLY A 15 0.976 -6.407 30.952 1.00 50.00 C ATOM 229 O GLY A 15 0.786 -6.488 32.149 1.00 50.00 O ATOM 0 H GLY A 15 2.309 -5.723 28.302 1.00 50.00 H new ATOM 0 HA2 GLY A 15 2.811 -7.147 30.079 1.00 50.00 H new ATOM 0 HA3 GLY A 15 3.035 -5.777 31.148 1.00 50.00 H new ATOM 233 N TRP A 16 -0.012 -6.498 30.103 1.00 50.00 N ATOM 234 CA TRP A 16 -1.405 -6.703 30.595 1.00 50.00 C ATOM 235 C TRP A 16 -1.705 -8.199 30.732 1.00 50.00 C ATOM 236 O TRP A 16 -0.870 -9.037 30.453 1.00 50.00 O ATOM 237 CB TRP A 16 -2.296 -6.073 29.524 1.00 50.00 C ATOM 238 CG TRP A 16 -2.860 -4.784 30.034 1.00 50.00 C ATOM 239 CD1 TRP A 16 -4.028 -4.236 29.628 1.00 50.00 C ATOM 240 CD2 TRP A 16 -2.305 -3.876 31.030 1.00 50.00 C ATOM 241 NE1 TRP A 16 -4.228 -3.051 30.313 1.00 50.00 N ATOM 242 CE2 TRP A 16 -3.194 -2.785 31.187 1.00 50.00 C ATOM 243 CE3 TRP A 16 -1.131 -3.890 31.805 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -2.927 -1.747 32.081 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -0.860 -2.847 32.705 1.00 50.00 C ATOM 246 CH2 TRP A 16 -1.756 -1.777 32.843 1.00 50.00 C ATOM 0 H TRP A 16 0.085 -6.439 29.089 1.00 50.00 H new ATOM 0 HA TRP A 16 -1.567 -6.258 31.577 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -1.720 -5.895 28.616 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.104 -6.756 29.261 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -4.695 -4.655 28.890 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -5.041 -2.448 30.187 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -0.433 -4.709 31.707 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -3.621 -0.926 32.183 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 0.044 -2.869 33.295 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -1.541 -0.978 33.537 1.00 50.00 H new ATOM 257 N ASP A 17 -2.890 -8.541 31.161 1.00 50.00 N ATOM 258 CA ASP A 17 -3.242 -9.983 31.318 1.00 50.00 C ATOM 259 C ASP A 17 -3.833 -10.530 30.016 1.00 50.00 C ATOM 260 O ASP A 17 -3.827 -9.873 28.994 1.00 50.00 O ATOM 261 CB ASP A 17 -4.283 -10.019 32.437 1.00 50.00 C ATOM 262 CG ASP A 17 -3.626 -10.507 33.729 1.00 50.00 C ATOM 263 OD1 ASP A 17 -3.325 -11.687 33.809 1.00 50.00 O ATOM 264 OD2 ASP A 17 -3.437 -9.694 34.619 1.00 50.00 O ATOM 0 H ASP A 17 -3.630 -7.885 31.410 1.00 50.00 H new ATOM 0 HA ASP A 17 -2.372 -10.596 31.552 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -4.708 -9.026 32.585 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -5.105 -10.680 32.162 1.00 50.00 H new ATOM 269 N MET A 18 -4.342 -11.732 30.046 1.00 50.00 N ATOM 270 CA MET A 18 -4.930 -12.326 28.812 1.00 50.00 C ATOM 271 C MET A 18 -6.294 -11.694 28.512 1.00 50.00 C ATOM 272 O MET A 18 -6.538 -11.211 27.425 1.00 50.00 O ATOM 273 CB MET A 18 -5.085 -13.814 29.128 1.00 50.00 C ATOM 274 CG MET A 18 -3.713 -14.489 29.086 1.00 50.00 C ATOM 275 SD MET A 18 -3.925 -16.285 29.025 1.00 50.00 S ATOM 276 CE MET A 18 -2.168 -16.719 29.050 1.00 50.00 C ATOM 0 H MET A 18 -4.376 -12.328 30.873 1.00 50.00 H new ATOM 0 HA MET A 18 -4.306 -12.156 27.935 1.00 50.00 H new ATOM 0 HB2 MET A 18 -5.536 -13.943 30.112 1.00 50.00 H new ATOM 0 HB3 MET A 18 -5.755 -14.282 28.407 1.00 50.00 H new ATOM 0 HG2 MET A 18 -3.155 -14.148 28.214 1.00 50.00 H new ATOM 0 HG3 MET A 18 -3.132 -14.210 29.965 1.00 50.00 H new ATOM 0 HE1 MET A 18 -2.061 -17.803 29.018 1.00 50.00 H new ATOM 0 HE2 MET A 18 -1.672 -16.280 28.184 1.00 50.00 H new ATOM 0 HE3 MET A 18 -1.711 -16.336 29.963 1.00 50.00 H new ATOM 286 N ASP A 19 -7.183 -11.697 29.467 1.00 50.00 N ATOM 287 CA ASP A 19 -8.529 -11.097 29.232 1.00 50.00 C ATOM 288 C ASP A 19 -8.997 -10.334 30.472 1.00 50.00 C ATOM 289 O ASP A 19 -10.133 -9.911 30.562 1.00 50.00 O ATOM 290 CB ASP A 19 -9.450 -12.286 28.958 1.00 50.00 C ATOM 291 CG ASP A 19 -10.333 -11.979 27.748 1.00 50.00 C ATOM 292 OD1 ASP A 19 -9.786 -11.762 26.680 1.00 50.00 O ATOM 293 OD2 ASP A 19 -11.542 -11.965 27.910 1.00 50.00 O ATOM 0 H ASP A 19 -7.037 -12.088 30.398 1.00 50.00 H new ATOM 0 HA ASP A 19 -8.522 -10.385 28.407 1.00 50.00 H new ATOM 0 HB2 ASP A 19 -8.859 -13.182 28.772 1.00 50.00 H new ATOM 0 HB3 ASP A 19 -10.070 -12.489 29.832 1.00 50.00 H new ATOM 298 N ASP A 20 -8.132 -10.153 31.431 1.00 50.00 N ATOM 299 CA ASP A 20 -8.530 -9.418 32.666 1.00 50.00 C ATOM 300 C ASP A 20 -8.564 -7.911 32.395 1.00 50.00 C ATOM 301 O ASP A 20 -9.511 -7.231 32.738 1.00 50.00 O ATOM 302 CB ASP A 20 -7.447 -9.754 33.692 1.00 50.00 C ATOM 303 CG ASP A 20 -7.493 -11.249 34.012 1.00 50.00 C ATOM 304 OD1 ASP A 20 -8.586 -11.788 34.070 1.00 50.00 O ATOM 305 OD2 ASP A 20 -6.435 -11.829 34.192 1.00 50.00 O ATOM 0 H ASP A 20 -7.167 -10.482 31.414 1.00 50.00 H new ATOM 0 HA ASP A 20 -9.523 -9.701 33.014 1.00 50.00 H new ATOM 0 HB2 ASP A 20 -6.465 -9.485 33.302 1.00 50.00 H new ATOM 0 HB3 ASP A 20 -7.599 -9.172 34.601 1.00 50.00 H new ATOM 310 N ASP A 21 -7.539 -7.384 31.783 1.00 50.00 N ATOM 311 CA ASP A 21 -7.513 -5.922 31.495 1.00 50.00 C ATOM 312 C ASP A 21 -8.347 -5.604 30.251 1.00 50.00 C ATOM 313 O ASP A 21 -8.349 -4.491 29.764 1.00 50.00 O ATOM 314 CB ASP A 21 -6.041 -5.594 31.249 1.00 50.00 C ATOM 315 CG ASP A 21 -5.257 -5.754 32.553 1.00 50.00 C ATOM 316 OD1 ASP A 21 -5.741 -5.291 33.573 1.00 50.00 O ATOM 317 OD2 ASP A 21 -4.185 -6.334 32.509 1.00 50.00 O ATOM 0 H ASP A 21 -6.718 -7.903 31.470 1.00 50.00 H new ATOM 0 HA ASP A 21 -7.933 -5.337 32.313 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -5.633 -6.255 30.484 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -5.942 -4.575 30.876 1.00 50.00 H new ATOM 322 N ASP A 22 -9.055 -6.569 29.731 1.00 50.00 N ATOM 323 CA ASP A 22 -9.884 -6.312 28.519 1.00 50.00 C ATOM 324 C ASP A 22 -9.053 -5.583 27.461 1.00 50.00 C ATOM 325 O ASP A 22 -9.446 -4.555 26.945 1.00 50.00 O ATOM 326 CB ASP A 22 -11.035 -5.431 29.002 1.00 50.00 C ATOM 327 CG ASP A 22 -11.879 -6.204 30.017 1.00 50.00 C ATOM 328 OD1 ASP A 22 -12.701 -6.997 29.593 1.00 50.00 O ATOM 329 OD2 ASP A 22 -11.686 -5.988 31.203 1.00 50.00 O ATOM 0 H ASP A 22 -9.095 -7.522 30.092 1.00 50.00 H new ATOM 0 HA ASP A 22 -10.246 -7.233 28.061 1.00 50.00 H new ATOM 0 HB2 ASP A 22 -10.644 -4.521 29.457 1.00 50.00 H new ATOM 0 HB3 ASP A 22 -11.652 -5.126 28.157 1.00 50.00 H new ATOM 334 N LEU A 23 -7.905 -6.108 27.139 1.00 50.00 N ATOM 335 CA LEU A 23 -7.037 -5.453 26.118 1.00 50.00 C ATOM 336 C LEU A 23 -7.866 -5.014 24.906 1.00 50.00 C ATOM 337 O LEU A 23 -7.690 -3.932 24.382 1.00 50.00 O ATOM 338 CB LEU A 23 -6.029 -6.528 25.711 1.00 50.00 C ATOM 339 CG LEU A 23 -5.159 -6.894 26.915 1.00 50.00 C ATOM 340 CD1 LEU A 23 -5.552 -8.282 27.425 1.00 50.00 C ATOM 341 CD2 LEU A 23 -3.688 -6.903 26.495 1.00 50.00 C ATOM 0 H LEU A 23 -7.527 -6.966 27.540 1.00 50.00 H new ATOM 0 HA LEU A 23 -6.552 -4.558 26.508 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -6.552 -7.412 25.345 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -5.405 -6.166 24.894 1.00 50.00 H new ATOM 0 HG LEU A 23 -5.307 -6.161 27.708 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -4.932 -8.543 28.283 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -6.601 -8.277 27.723 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -5.403 -9.016 26.633 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -3.067 -7.164 27.352 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -3.540 -7.637 25.703 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -3.408 -5.915 26.131 1.00 50.00 H new ATOM 353 N PHE A 24 -8.760 -5.847 24.454 1.00 50.00 N ATOM 354 CA PHE A 24 -9.593 -5.480 23.272 1.00 50.00 C ATOM 355 C PHE A 24 -10.361 -4.185 23.544 1.00 50.00 C ATOM 356 O PHE A 24 -10.702 -3.453 22.636 1.00 50.00 O ATOM 357 CB PHE A 24 -10.559 -6.651 23.091 1.00 50.00 C ATOM 358 CG PHE A 24 -9.798 -7.858 22.601 1.00 50.00 C ATOM 359 CD1 PHE A 24 -9.209 -7.844 21.331 1.00 50.00 C ATOM 360 CD2 PHE A 24 -9.681 -8.991 23.415 1.00 50.00 C ATOM 361 CE1 PHE A 24 -8.502 -8.963 20.875 1.00 50.00 C ATOM 362 CE2 PHE A 24 -8.975 -10.110 22.958 1.00 50.00 C ATOM 363 CZ PHE A 24 -8.384 -10.096 21.689 1.00 50.00 C ATOM 0 H PHE A 24 -8.951 -6.767 24.851 1.00 50.00 H new ATOM 0 HA PHE A 24 -8.990 -5.307 22.380 1.00 50.00 H new ATOM 0 HB2 PHE A 24 -11.053 -6.878 24.035 1.00 50.00 H new ATOM 0 HB3 PHE A 24 -11.340 -6.386 22.378 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -9.300 -6.970 20.703 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -10.135 -9.002 24.395 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -8.048 -8.952 19.895 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -8.886 -10.985 23.585 1.00 50.00 H new ATOM 0 HZ PHE A 24 -7.837 -10.959 21.338 1.00 50.00 H new ATOM 373 N GLU A 25 -10.635 -3.897 24.784 1.00 50.00 N ATOM 374 CA GLU A 25 -11.383 -2.647 25.109 1.00 50.00 C ATOM 375 C GLU A 25 -10.410 -1.482 25.315 1.00 50.00 C ATOM 376 O GLU A 25 -10.620 -0.391 24.823 1.00 50.00 O ATOM 377 CB GLU A 25 -12.131 -2.956 26.406 1.00 50.00 C ATOM 378 CG GLU A 25 -13.379 -2.073 26.496 1.00 50.00 C ATOM 379 CD GLU A 25 -13.153 -0.975 27.537 1.00 50.00 C ATOM 380 OE1 GLU A 25 -12.008 -0.615 27.751 1.00 50.00 O ATOM 381 OE2 GLU A 25 -14.130 -0.512 28.102 1.00 50.00 O ATOM 0 H GLU A 25 -10.375 -4.470 25.587 1.00 50.00 H new ATOM 0 HA GLU A 25 -12.061 -2.355 24.307 1.00 50.00 H new ATOM 0 HB2 GLU A 25 -12.414 -4.008 26.434 1.00 50.00 H new ATOM 0 HB3 GLU A 25 -11.483 -2.777 27.264 1.00 50.00 H new ATOM 0 HG2 GLU A 25 -13.594 -1.629 25.524 1.00 50.00 H new ATOM 0 HG3 GLU A 25 -14.245 -2.676 26.770 1.00 50.00 H new ATOM 388 N LYS A 26 -9.347 -1.704 26.040 1.00 50.00 N ATOM 389 CA LYS A 26 -8.364 -0.606 26.275 1.00 50.00 C ATOM 390 C LYS A 26 -7.707 -0.191 24.958 1.00 50.00 C ATOM 391 O LYS A 26 -7.378 0.961 24.753 1.00 50.00 O ATOM 392 CB LYS A 26 -7.327 -1.200 27.229 1.00 50.00 C ATOM 393 CG LYS A 26 -7.991 -1.524 28.567 1.00 50.00 C ATOM 394 CD LYS A 26 -7.150 -0.945 29.707 1.00 50.00 C ATOM 395 CE LYS A 26 -7.571 0.502 29.968 1.00 50.00 C ATOM 396 NZ LYS A 26 -8.459 0.430 31.163 1.00 50.00 N ATOM 0 H LYS A 26 -9.117 -2.595 26.479 1.00 50.00 H new ATOM 0 HA LYS A 26 -8.834 0.286 26.688 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -6.895 -2.103 26.797 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -6.509 -0.495 27.378 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -8.998 -1.108 28.596 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -8.089 -2.603 28.685 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -7.282 -1.542 30.610 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -6.092 -0.986 29.449 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -6.706 1.138 30.156 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -8.096 0.922 29.110 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -8.791 1.385 31.407 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -9.277 -0.177 30.952 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -7.930 0.032 31.965 1.00 50.00 H new ATOM 410 N ALA A 27 -7.513 -1.120 24.065 1.00 50.00 N ATOM 411 CA ALA A 27 -6.875 -0.780 22.761 1.00 50.00 C ATOM 412 C ALA A 27 -7.737 0.229 21.997 1.00 50.00 C ATOM 413 O ALA A 27 -7.238 1.038 21.241 1.00 50.00 O ATOM 414 CB ALA A 27 -6.797 -2.105 22.001 1.00 50.00 C ATOM 0 H ALA A 27 -7.768 -2.101 24.181 1.00 50.00 H new ATOM 0 HA ALA A 27 -5.893 -0.325 22.888 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -6.337 -1.939 21.027 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -6.197 -2.816 22.569 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -7.801 -2.506 21.865 1.00 50.00 H new ATOM 420 N ALA A 28 -9.027 0.187 22.187 1.00 50.00 N ATOM 421 CA ALA A 28 -9.916 1.147 21.471 1.00 50.00 C ATOM 422 C ALA A 28 -9.642 2.574 21.949 1.00 50.00 C ATOM 423 O ALA A 28 -9.779 3.527 21.207 1.00 50.00 O ATOM 424 CB ALA A 28 -11.338 0.722 21.837 1.00 50.00 C ATOM 0 H ALA A 28 -9.504 -0.469 22.806 1.00 50.00 H new ATOM 0 HA ALA A 28 -9.754 1.135 20.393 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -12.053 1.383 21.347 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -11.507 -0.303 21.508 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -11.469 0.783 22.917 1.00 50.00 H new ATOM 430 N ASP A 29 -9.255 2.727 23.183 1.00 50.00 N ATOM 431 CA ASP A 29 -8.969 4.092 23.714 1.00 50.00 C ATOM 432 C ASP A 29 -7.534 4.501 23.370 1.00 50.00 C ATOM 433 O ASP A 29 -7.198 5.669 23.355 1.00 50.00 O ATOM 434 CB ASP A 29 -9.144 3.972 25.229 1.00 50.00 C ATOM 435 CG ASP A 29 -10.630 4.053 25.580 1.00 50.00 C ATOM 436 OD1 ASP A 29 -11.440 3.922 24.676 1.00 50.00 O ATOM 437 OD2 ASP A 29 -10.934 4.243 26.746 1.00 50.00 O ATOM 0 H ASP A 29 -9.124 1.966 23.850 1.00 50.00 H new ATOM 0 HA ASP A 29 -9.627 4.849 23.287 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -8.728 3.028 25.580 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -8.597 4.769 25.733 1.00 50.00 H new ATOM 442 N ALA A 30 -6.687 3.548 23.094 1.00 50.00 N ATOM 443 CA ALA A 30 -5.274 3.885 22.752 1.00 50.00 C ATOM 444 C ALA A 30 -5.164 4.265 21.273 1.00 50.00 C ATOM 445 O ALA A 30 -4.318 5.045 20.885 1.00 50.00 O ATOM 446 CB ALA A 30 -4.481 2.610 23.039 1.00 50.00 C ATOM 0 H ALA A 30 -6.910 2.553 23.090 1.00 50.00 H new ATOM 0 HA ALA A 30 -4.902 4.733 23.326 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -3.428 2.777 22.812 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -4.587 2.344 24.091 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -4.861 1.798 22.420 1.00 50.00 H new ATOM 452 N GLY A 31 -6.012 3.720 20.447 1.00 50.00 N ATOM 453 CA GLY A 31 -5.956 4.050 18.995 1.00 50.00 C ATOM 454 C GLY A 31 -4.776 3.317 18.353 1.00 50.00 C ATOM 455 O GLY A 31 -3.890 3.923 17.784 1.00 50.00 O ATOM 0 H GLY A 31 -6.742 3.060 20.714 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -6.887 3.760 18.508 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -5.848 5.126 18.859 1.00 50.00 H new ATOM 459 N LEU A 32 -4.758 2.014 18.440 1.00 50.00 N ATOM 460 CA LEU A 32 -3.634 1.242 17.834 1.00 50.00 C ATOM 461 C LEU A 32 -3.872 1.052 16.333 1.00 50.00 C ATOM 462 O LEU A 32 -4.834 1.544 15.780 1.00 50.00 O ATOM 463 CB LEU A 32 -3.647 -0.107 18.553 1.00 50.00 C ATOM 464 CG LEU A 32 -2.480 -0.170 19.539 1.00 50.00 C ATOM 465 CD1 LEU A 32 -1.164 -0.279 18.765 1.00 50.00 C ATOM 466 CD2 LEU A 32 -2.466 1.099 20.394 1.00 50.00 C ATOM 0 H LEU A 32 -5.471 1.451 18.904 1.00 50.00 H new ATOM 0 HA LEU A 32 -2.677 1.752 17.942 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -4.591 -0.241 19.081 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -3.569 -0.918 17.829 1.00 50.00 H new ATOM 0 HG LEU A 32 -2.595 -1.041 20.184 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -0.332 -0.324 19.467 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -1.174 -1.183 18.156 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -1.048 0.592 18.120 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -1.634 1.055 21.097 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -2.351 1.971 19.750 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -3.403 1.177 20.945 1.00 50.00 H new ATOM 478 N ASP A 33 -3.000 0.342 15.670 1.00 50.00 N ATOM 479 CA ASP A 33 -3.174 0.122 14.206 1.00 50.00 C ATOM 480 C ASP A 33 -4.226 -0.962 13.957 1.00 50.00 C ATOM 481 O ASP A 33 -4.673 -1.628 14.870 1.00 50.00 O ATOM 482 CB ASP A 33 -1.803 -0.338 13.709 1.00 50.00 C ATOM 483 CG ASP A 33 -0.879 0.873 13.565 1.00 50.00 C ATOM 484 OD1 ASP A 33 -0.385 1.342 14.577 1.00 50.00 O ATOM 485 OD2 ASP A 33 -0.680 1.310 12.444 1.00 50.00 O ATOM 0 H ASP A 33 -2.174 -0.095 16.079 1.00 50.00 H new ATOM 0 HA ASP A 33 -3.514 1.020 13.690 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -1.373 -1.056 14.408 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -1.904 -0.848 12.751 1.00 50.00 H new ATOM 490 N GLY A 34 -4.625 -1.145 12.728 1.00 50.00 N ATOM 491 CA GLY A 34 -5.645 -2.188 12.423 1.00 50.00 C ATOM 492 C GLY A 34 -4.960 -3.550 12.300 1.00 50.00 C ATOM 493 O GLY A 34 -5.549 -4.579 12.567 1.00 50.00 O ATOM 0 H GLY A 34 -4.289 -0.618 11.922 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -6.398 -2.217 13.211 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -6.164 -1.945 11.496 1.00 50.00 H new ATOM 497 N GLU A 35 -3.718 -3.565 11.900 1.00 50.00 N ATOM 498 CA GLU A 35 -2.994 -4.862 11.763 1.00 50.00 C ATOM 499 C GLU A 35 -2.620 -5.407 13.144 1.00 50.00 C ATOM 500 O GLU A 35 -2.023 -6.457 13.267 1.00 50.00 O ATOM 501 CB GLU A 35 -1.739 -4.531 10.957 1.00 50.00 C ATOM 502 CG GLU A 35 -2.141 -3.920 9.613 1.00 50.00 C ATOM 503 CD GLU A 35 -0.929 -3.237 8.978 1.00 50.00 C ATOM 504 OE1 GLU A 35 -0.654 -2.105 9.342 1.00 50.00 O ATOM 505 OE2 GLU A 35 -0.297 -3.856 8.140 1.00 50.00 O ATOM 0 H GLU A 35 -3.173 -2.736 11.662 1.00 50.00 H new ATOM 0 HA GLU A 35 -3.601 -5.625 11.276 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -1.111 -3.834 11.512 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -1.149 -5.433 10.796 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -2.524 -4.695 8.949 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -2.945 -3.198 9.756 1.00 50.00 H new ATOM 512 N ASP A 36 -2.966 -4.697 14.183 1.00 50.00 N ATOM 513 CA ASP A 36 -2.631 -5.168 15.558 1.00 50.00 C ATOM 514 C ASP A 36 -3.911 -5.418 16.357 1.00 50.00 C ATOM 515 O ASP A 36 -4.097 -6.468 16.938 1.00 50.00 O ATOM 516 CB ASP A 36 -1.834 -4.020 16.178 1.00 50.00 C ATOM 517 CG ASP A 36 -0.407 -4.027 15.624 1.00 50.00 C ATOM 518 OD1 ASP A 36 -0.202 -3.455 14.565 1.00 50.00 O ATOM 519 OD2 ASP A 36 0.455 -4.602 16.266 1.00 50.00 O ATOM 0 H ASP A 36 -3.467 -3.810 14.139 1.00 50.00 H new ATOM 0 HA ASP A 36 -2.072 -6.103 15.552 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -2.316 -3.068 15.956 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -1.814 -4.122 17.263 1.00 50.00 H new ATOM 524 N TYR A 37 -4.794 -4.458 16.390 1.00 12.50 N ATOM 525 CA TYR A 37 -6.062 -4.636 17.153 1.00 12.50 C ATOM 526 C TYR A 37 -7.264 -4.292 16.266 1.00 12.50 C ATOM 527 O TYR A 37 -7.216 -3.383 15.462 1.00 12.50 O ATOM 528 CB TYR A 37 -5.946 -3.660 18.330 1.00 12.50 C ATOM 529 CG TYR A 37 -7.321 -3.325 18.864 1.00 12.50 C ATOM 530 CD1 TYR A 37 -8.098 -4.318 19.472 1.00 50.00 C ATOM 531 CD2 TYR A 37 -7.816 -2.020 18.748 1.00 50.00 C ATOM 532 CE1 TYR A 37 -9.372 -4.005 19.964 1.00 50.00 C ATOM 533 CE2 TYR A 37 -9.089 -1.709 19.241 1.00 50.00 C ATOM 534 CZ TYR A 37 -9.865 -2.701 19.849 1.00 12.50 C ATOM 535 OH TYR A 37 -11.121 -2.393 20.334 1.00 50.00 O ATOM 0 H TYR A 37 -4.692 -3.558 15.921 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.211 -5.662 17.491 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -5.338 -4.101 19.120 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -5.440 -2.749 18.009 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -7.716 -5.324 19.562 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -7.216 -1.254 18.279 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -9.973 -4.770 20.432 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -9.472 -0.703 19.152 1.00 50.00 H new ATOM 0 HH TYR A 37 -11.258 -2.840 21.195 1.00 50.00 H new ATOM 545 N GLY A 38 -8.341 -5.016 16.409 1.00 10.00 N ATOM 546 CA GLY A 38 -9.545 -4.734 15.577 1.00 10.00 C ATOM 547 C GLY A 38 -10.447 -5.970 15.550 1.00 10.00 C ATOM 548 O GLY A 38 -10.116 -7.003 16.099 1.00 10.00 O ATOM 0 H GLY A 38 -8.439 -5.790 17.066 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -10.090 -3.882 15.984 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -9.246 -4.467 14.564 1.00 10.00 H new ATOM 552 N THR A 39 -11.582 -5.874 14.915 1.00 10.00 N ATOM 553 CA THR A 39 -12.505 -7.046 14.853 1.00 10.00 C ATOM 554 C THR A 39 -12.307 -7.805 13.537 1.00 10.00 C ATOM 555 O THR A 39 -12.401 -7.241 12.466 1.00 10.00 O ATOM 556 CB THR A 39 -13.914 -6.451 14.922 1.00 50.00 C ATOM 557 OG1 THR A 39 -13.834 -5.066 15.230 1.00 50.00 O ATOM 558 CG2 THR A 39 -14.718 -7.169 16.007 1.00 50.00 C ATOM 0 H THR A 39 -11.912 -5.036 14.436 1.00 10.00 H new ATOM 0 HA THR A 39 -12.324 -7.755 15.661 1.00 10.00 H new ATOM 0 HB THR A 39 -14.407 -6.578 13.958 1.00 50.00 H new ATOM 0 HG1 THR A 39 -14.737 -4.687 15.272 1.00 50.00 H new ATOM 0 HG21 THR A 39 -15.721 -6.746 16.057 1.00 50.00 H new ATOM 0 HG22 THR A 39 -14.783 -8.231 15.769 1.00 50.00 H new ATOM 0 HG23 THR A 39 -14.223 -7.043 16.970 1.00 50.00 H new ATOM 566 N MET A 40 -12.034 -9.080 13.612 1.00 10.00 N ATOM 567 CA MET A 40 -11.830 -9.871 12.363 1.00 10.00 C ATOM 568 C MET A 40 -13.135 -10.554 11.946 1.00 10.00 C ATOM 569 O MET A 40 -13.322 -11.737 12.157 1.00 10.00 O ATOM 570 CB MET A 40 -10.772 -10.917 12.720 1.00 10.00 C ATOM 571 CG MET A 40 -9.799 -11.082 11.551 1.00 10.00 C ATOM 572 SD MET A 40 -8.890 -12.636 11.736 1.00 12.50 S ATOM 573 CE MET A 40 -9.450 -13.413 10.200 1.00 50.00 C ATOM 0 H MET A 40 -11.944 -9.607 14.481 1.00 10.00 H new ATOM 0 HA MET A 40 -11.518 -9.243 11.528 1.00 10.00 H new ATOM 0 HB2 MET A 40 -10.232 -10.611 13.616 1.00 10.00 H new ATOM 0 HB3 MET A 40 -11.250 -11.870 12.946 1.00 10.00 H new ATOM 0 HG2 MET A 40 -10.344 -11.077 10.607 1.00 10.00 H new ATOM 0 HG3 MET A 40 -9.104 -10.243 11.522 1.00 10.00 H new ATOM 0 HE1 MET A 40 -10.164 -14.204 10.431 1.00 50.00 H new ATOM 0 HE2 MET A 40 -9.929 -12.665 9.568 1.00 50.00 H new ATOM 0 HE3 MET A 40 -8.595 -13.839 9.675 1.00 50.00 H new ATOM 583 N GLU A 41 -14.039 -9.823 11.353 1.00 10.00 N ATOM 584 CA GLU A 41 -15.327 -10.437 10.922 1.00 10.00 C ATOM 585 C GLU A 41 -15.094 -11.323 9.696 1.00 10.00 C ATOM 586 O GLU A 41 -14.738 -10.851 8.635 1.00 10.00 O ATOM 587 CB GLU A 41 -16.232 -9.258 10.567 1.00 10.00 C ATOM 588 CG GLU A 41 -17.631 -9.500 11.137 1.00 10.00 C ATOM 589 CD GLU A 41 -18.513 -10.148 10.066 1.00 12.50 C ATOM 590 OE1 GLU A 41 -17.966 -10.616 9.081 1.00 12.50 O ATOM 591 OE2 GLU A 41 -19.717 -10.165 10.251 1.00 12.50 O ATOM 0 H GLU A 41 -13.942 -8.828 11.149 1.00 10.00 H new ATOM 0 HA GLU A 41 -15.768 -11.066 11.696 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -15.818 -8.334 10.970 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -16.284 -9.139 9.485 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -17.572 -10.145 12.014 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -18.070 -8.558 11.464 1.00 10.00 H new ATOM 598 N VAL A 42 -15.285 -12.606 9.835 1.00 10.00 N ATOM 599 CA VAL A 42 -15.066 -13.518 8.676 1.00 10.00 C ATOM 600 C VAL A 42 -16.230 -14.503 8.544 1.00 10.00 C ATOM 601 O VAL A 42 -16.927 -14.788 9.498 1.00 10.00 O ATOM 602 CB VAL A 42 -13.770 -14.259 9.000 1.00 10.00 C ATOM 603 CG1 VAL A 42 -12.695 -13.249 9.406 1.00 10.00 C ATOM 604 CG2 VAL A 42 -14.016 -15.233 10.155 1.00 10.00 C ATOM 0 H VAL A 42 -15.582 -13.062 10.698 1.00 10.00 H new ATOM 0 HA VAL A 42 -15.004 -12.977 7.732 1.00 10.00 H new ATOM 0 HB VAL A 42 -13.437 -14.812 8.122 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -11.769 -13.776 9.638 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -12.521 -12.553 8.585 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -13.028 -12.697 10.285 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -13.092 -15.763 10.387 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -14.348 -14.679 11.033 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -14.784 -15.952 9.868 1.00 10.00 H new ATOM 614 N ALA A 43 -16.444 -15.027 7.368 1.00 10.00 N ATOM 615 CA ALA A 43 -17.560 -15.995 7.174 1.00 10.00 C ATOM 616 C ALA A 43 -17.352 -17.222 8.065 1.00 10.00 C ATOM 617 O ALA A 43 -16.237 -17.610 8.353 1.00 10.00 O ATOM 618 CB ALA A 43 -17.495 -16.385 5.697 1.00 50.00 C ATOM 0 H ALA A 43 -15.894 -14.826 6.533 1.00 10.00 H new ATOM 0 HA ALA A 43 -18.528 -15.570 7.439 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -18.288 -17.099 5.474 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -17.623 -15.496 5.080 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -16.528 -16.839 5.483 1.00 50.00 H new ATOM 624 N GLU A 44 -18.417 -17.835 8.502 1.00 10.00 N ATOM 625 CA GLU A 44 -18.280 -19.037 9.376 1.00 10.00 C ATOM 626 C GLU A 44 -17.591 -20.172 8.613 1.00 10.00 C ATOM 627 O GLU A 44 -18.072 -20.630 7.594 1.00 10.00 O ATOM 628 CB GLU A 44 -19.715 -19.424 9.740 1.00 10.00 C ATOM 629 CG GLU A 44 -19.719 -20.188 11.065 1.00 10.00 C ATOM 630 CD GLU A 44 -21.082 -20.027 11.741 1.00 25.00 C ATOM 631 OE1 GLU A 44 -21.827 -19.155 11.327 1.00 25.00 O ATOM 632 OE2 GLU A 44 -21.357 -20.779 12.662 1.00 25.00 O ATOM 0 H GLU A 44 -19.376 -17.557 8.293 1.00 10.00 H new ATOM 0 HA GLU A 44 -17.674 -18.840 10.260 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -20.334 -18.530 9.822 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -20.147 -20.040 8.952 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -19.510 -21.243 10.889 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -18.931 -19.811 11.717 1.00 10.00 H new ATOM 639 N GLY A 45 -16.470 -20.628 9.099 1.00 10.00 N ATOM 640 CA GLY A 45 -15.749 -21.731 8.402 1.00 10.00 C ATOM 641 C GLY A 45 -14.679 -21.139 7.484 1.00 10.00 C ATOM 642 O GLY A 45 -14.122 -21.817 6.645 1.00 10.00 O ATOM 0 H GLY A 45 -16.022 -20.285 9.949 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -15.289 -22.398 9.132 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -16.451 -22.329 7.821 1.00 10.00 H new ATOM 646 N GLU A 46 -14.389 -19.876 7.637 1.00 10.00 N ATOM 647 CA GLU A 46 -13.356 -19.236 6.772 1.00 10.00 C ATOM 648 C GLU A 46 -11.984 -19.287 7.453 1.00 10.00 C ATOM 649 O GLU A 46 -11.863 -19.074 8.643 1.00 10.00 O ATOM 650 CB GLU A 46 -13.821 -17.789 6.608 1.00 10.00 C ATOM 651 CG GLU A 46 -13.202 -17.190 5.344 1.00 10.00 C ATOM 652 CD GLU A 46 -14.042 -17.585 4.128 1.00 10.00 C ATOM 653 OE1 GLU A 46 -15.067 -18.216 4.322 1.00 10.00 O ATOM 654 OE2 GLU A 46 -13.645 -17.249 3.024 1.00 10.00 O ATOM 0 H GLU A 46 -14.823 -19.259 8.324 1.00 10.00 H new ATOM 0 HA GLU A 46 -13.250 -19.743 5.813 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -14.909 -17.751 6.545 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -13.531 -17.202 7.480 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -13.154 -16.104 5.429 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -12.179 -17.546 5.224 1.00 10.00 H new ATOM 661 N TYR A 47 -10.949 -19.568 6.705 1.00 10.00 N ATOM 662 CA TYR A 47 -9.584 -19.632 7.307 1.00 10.00 C ATOM 663 C TYR A 47 -9.173 -18.253 7.827 1.00 10.00 C ATOM 664 O TYR A 47 -9.048 -17.309 7.075 1.00 10.00 O ATOM 665 CB TYR A 47 -8.668 -20.069 6.163 1.00 10.00 C ATOM 666 CG TYR A 47 -8.604 -21.577 6.112 1.00 10.00 C ATOM 667 CD1 TYR A 47 -9.785 -22.325 6.037 1.00 10.00 C ATOM 668 CD2 TYR A 47 -7.364 -22.226 6.137 1.00 10.00 C ATOM 669 CE1 TYR A 47 -9.726 -23.723 5.988 1.00 10.00 C ATOM 670 CE2 TYR A 47 -7.305 -23.625 6.088 1.00 10.00 C ATOM 671 CZ TYR A 47 -8.486 -24.372 6.013 1.00 10.00 C ATOM 672 OH TYR A 47 -8.427 -25.750 5.965 1.00 10.00 O ATOM 0 H TYR A 47 -10.990 -19.756 5.703 1.00 10.00 H new ATOM 0 HA TYR A 47 -9.536 -20.318 8.153 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -9.041 -19.679 5.216 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.669 -19.657 6.306 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -10.741 -21.824 6.017 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -6.453 -21.649 6.194 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -10.637 -24.300 5.931 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.349 -24.127 6.108 1.00 10.00 H new ATOM 0 HH TYR A 47 -7.491 -26.038 5.990 1.00 10.00 H new ATOM 682 N ILE A 48 -8.963 -18.129 9.110 1.00 10.00 N ATOM 683 CA ILE A 48 -8.566 -16.806 9.678 1.00 10.00 C ATOM 684 C ILE A 48 -7.490 -16.146 8.809 1.00 10.00 C ATOM 685 O ILE A 48 -7.702 -15.093 8.239 1.00 10.00 O ATOM 686 CB ILE A 48 -8.012 -17.122 11.068 1.00 10.00 C ATOM 687 CG1 ILE A 48 -9.165 -17.445 12.020 1.00 10.00 C ATOM 688 CG2 ILE A 48 -7.242 -15.910 11.598 1.00 10.00 C ATOM 689 CD1 ILE A 48 -8.602 -17.869 13.378 1.00 10.00 C ATOM 0 H ILE A 48 -9.049 -18.885 9.789 1.00 10.00 H new ATOM 0 HA ILE A 48 -9.405 -16.111 9.718 1.00 10.00 H new ATOM 0 HB ILE A 48 -7.344 -17.981 11.003 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -9.809 -16.573 12.137 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -9.781 -18.243 11.605 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -6.847 -16.135 12.589 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -6.418 -15.679 10.923 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -7.912 -15.052 11.660 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -9.423 -18.099 14.057 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -7.976 -18.753 13.253 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -8.005 -17.058 13.794 1.00 10.00 H new ATOM 701 N LEU A 49 -6.337 -16.750 8.708 1.00 10.00 N ATOM 702 CA LEU A 49 -5.251 -16.147 7.882 1.00 10.00 C ATOM 703 C LEU A 49 -5.777 -15.776 6.490 1.00 10.00 C ATOM 704 O LEU A 49 -5.447 -14.739 5.949 1.00 10.00 O ATOM 705 CB LEU A 49 -4.175 -17.234 7.787 1.00 10.00 C ATOM 706 CG LEU A 49 -3.262 -16.962 6.588 1.00 10.00 C ATOM 707 CD1 LEU A 49 -2.679 -15.552 6.700 1.00 10.00 C ATOM 708 CD2 LEU A 49 -2.122 -17.983 6.575 1.00 10.00 C ATOM 0 H LEU A 49 -6.100 -17.633 9.160 1.00 10.00 H new ATOM 0 HA LEU A 49 -4.862 -15.228 8.321 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -3.587 -17.257 8.705 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -4.643 -18.213 7.684 1.00 10.00 H new ATOM 0 HG LEU A 49 -3.838 -17.046 5.666 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -2.029 -15.358 5.847 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -3.489 -14.823 6.712 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -2.103 -15.469 7.621 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -1.471 -17.791 5.722 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -1.547 -17.898 7.497 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -2.535 -18.989 6.497 1.00 10.00 H new ATOM 720 N GLU A 50 -6.588 -16.614 5.902 1.00 10.00 N ATOM 721 CA GLU A 50 -7.123 -16.300 4.545 1.00 10.00 C ATOM 722 C GLU A 50 -8.249 -15.266 4.645 1.00 10.00 C ATOM 723 O GLU A 50 -8.386 -14.402 3.803 1.00 10.00 O ATOM 724 CB GLU A 50 -7.655 -17.628 4.009 1.00 10.00 C ATOM 725 CG GLU A 50 -6.564 -18.318 3.185 1.00 10.00 C ATOM 726 CD GLU A 50 -7.074 -18.559 1.764 1.00 50.00 C ATOM 727 OE1 GLU A 50 -7.671 -19.599 1.537 1.00 50.00 O ATOM 728 OE2 GLU A 50 -6.857 -17.700 0.924 1.00 50.00 O ATOM 0 H GLU A 50 -6.902 -17.499 6.300 1.00 10.00 H new ATOM 0 HA GLU A 50 -6.362 -15.875 3.890 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -7.962 -18.269 4.835 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.538 -17.457 3.393 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -5.666 -17.700 3.161 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -6.287 -19.265 3.649 1.00 10.00 H new ATOM 735 N ALA A 51 -9.054 -15.347 5.669 1.00 10.00 N ATOM 736 CA ALA A 51 -10.166 -14.367 5.821 1.00 10.00 C ATOM 737 C ALA A 51 -9.598 -12.975 6.094 1.00 10.00 C ATOM 738 O ALA A 51 -10.032 -11.992 5.528 1.00 10.00 O ATOM 739 CB ALA A 51 -10.974 -14.863 7.020 1.00 12.50 C ATOM 0 H ALA A 51 -8.990 -16.049 6.406 1.00 10.00 H new ATOM 0 HA ALA A 51 -10.780 -14.293 4.924 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -11.814 -14.191 7.196 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -11.349 -15.866 6.816 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -10.337 -14.886 7.904 1.00 12.50 H new ATOM 745 N ALA A 52 -8.625 -12.891 6.952 1.00 10.00 N ATOM 746 CA ALA A 52 -8.015 -11.569 7.263 1.00 10.00 C ATOM 747 C ALA A 52 -7.025 -11.183 6.162 1.00 10.00 C ATOM 748 O ALA A 52 -6.749 -10.021 5.939 1.00 10.00 O ATOM 749 CB ALA A 52 -7.290 -11.767 8.594 1.00 10.00 C ATOM 0 H ALA A 52 -8.223 -13.683 7.454 1.00 10.00 H new ATOM 0 HA ALA A 52 -8.756 -10.772 7.323 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -6.813 -10.833 8.891 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.007 -12.067 9.358 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -6.532 -12.542 8.484 1.00 10.00 H new ATOM 755 N GLU A 53 -6.495 -12.152 5.467 1.00 10.00 N ATOM 756 CA GLU A 53 -5.529 -11.845 4.375 1.00 10.00 C ATOM 757 C GLU A 53 -6.234 -11.070 3.263 1.00 10.00 C ATOM 758 O GLU A 53 -5.711 -10.114 2.726 1.00 10.00 O ATOM 759 CB GLU A 53 -5.055 -13.213 3.872 1.00 10.00 C ATOM 760 CG GLU A 53 -4.433 -13.066 2.481 1.00 10.00 C ATOM 761 CD GLU A 53 -3.325 -14.106 2.307 1.00 10.00 C ATOM 762 OE1 GLU A 53 -3.646 -15.284 2.267 1.00 10.00 O ATOM 763 OE2 GLU A 53 -2.175 -13.710 2.216 1.00 10.00 O ATOM 0 H GLU A 53 -6.689 -13.143 5.608 1.00 10.00 H new ATOM 0 HA GLU A 53 -4.695 -11.229 4.712 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -4.325 -13.633 4.564 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -5.894 -13.908 3.834 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -5.196 -13.199 1.714 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -4.027 -12.062 2.356 1.00 10.00 H new ATOM 770 N ALA A 54 -7.423 -11.475 2.923 1.00 10.00 N ATOM 771 CA ALA A 54 -8.177 -10.764 1.851 1.00 10.00 C ATOM 772 C ALA A 54 -8.714 -9.433 2.385 1.00 10.00 C ATOM 773 O ALA A 54 -9.336 -8.672 1.671 1.00 10.00 O ATOM 774 CB ALA A 54 -9.327 -11.702 1.485 1.00 50.00 C ATOM 0 H ALA A 54 -7.908 -12.269 3.341 1.00 10.00 H new ATOM 0 HA ALA A 54 -7.554 -10.533 0.987 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -9.931 -11.248 0.699 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -8.924 -12.651 1.131 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -9.948 -11.877 2.364 1.00 50.00 H new ATOM 780 N GLN A 55 -8.476 -9.145 3.637 1.00 10.00 N ATOM 781 CA GLN A 55 -8.970 -7.862 4.215 1.00 10.00 C ATOM 782 C GLN A 55 -7.832 -6.839 4.272 1.00 10.00 C ATOM 783 O GLN A 55 -8.056 -5.645 4.270 1.00 10.00 O ATOM 784 CB GLN A 55 -9.445 -8.215 5.626 1.00 10.00 C ATOM 785 CG GLN A 55 -10.914 -7.818 5.784 1.00 10.00 C ATOM 786 CD GLN A 55 -11.000 -6.412 6.383 1.00 10.00 C ATOM 787 OE1 GLN A 55 -10.492 -5.465 5.817 1.00 10.00 O ATOM 788 NE2 GLN A 55 -11.625 -6.237 7.515 1.00 10.00 N ATOM 0 H GLN A 55 -7.961 -9.743 4.284 1.00 10.00 H new ATOM 0 HA GLN A 55 -9.768 -7.420 3.618 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -9.325 -9.283 5.805 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -8.836 -7.697 6.367 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -11.415 -7.844 4.816 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -11.428 -8.532 6.428 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -12.052 -7.032 7.990 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -11.687 -5.305 7.925 1.00 10.00 H new ATOM 797 N GLY A 56 -6.612 -7.301 4.322 1.00 10.00 N ATOM 798 CA GLY A 56 -5.461 -6.356 4.378 1.00 10.00 C ATOM 799 C GLY A 56 -4.643 -6.619 5.645 1.00 10.00 C ATOM 800 O GLY A 56 -3.747 -5.872 5.982 1.00 10.00 O ATOM 0 H GLY A 56 -6.363 -8.290 4.326 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -4.833 -6.479 3.495 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.821 -5.327 4.372 1.00 10.00 H new ATOM 804 N TYR A 57 -4.943 -7.677 6.348 1.00 10.00 N ATOM 805 CA TYR A 57 -4.179 -7.985 7.590 1.00 10.00 C ATOM 806 C TYR A 57 -2.959 -8.851 7.255 1.00 10.00 C ATOM 807 O TYR A 57 -2.886 -9.456 6.203 1.00 10.00 O ATOM 808 CB TYR A 57 -5.156 -8.759 8.478 1.00 10.00 C ATOM 809 CG TYR A 57 -6.320 -7.875 8.866 1.00 10.00 C ATOM 810 CD1 TYR A 57 -6.146 -6.491 9.012 1.00 10.00 C ATOM 811 CD2 TYR A 57 -7.580 -8.445 9.084 1.00 10.00 C ATOM 812 CE1 TYR A 57 -7.231 -5.683 9.375 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.664 -7.639 9.445 1.00 12.50 C ATOM 814 CZ TYR A 57 -8.491 -6.257 9.591 1.00 12.50 C ATOM 815 OH TYR A 57 -9.560 -5.462 9.950 1.00 12.50 O ATOM 0 H TYR A 57 -5.683 -8.340 6.117 1.00 10.00 H new ATOM 0 HA TYR A 57 -3.809 -7.085 8.081 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -5.519 -9.640 7.950 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -4.644 -9.112 9.373 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -5.175 -6.048 8.845 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -7.715 -9.511 8.973 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -7.097 -4.617 9.488 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -9.635 -8.082 9.611 1.00 12.50 H new ATOM 0 HH TYR A 57 -10.359 -6.018 10.060 1.00 12.50 H new ATOM 825 N ASP A 58 -2.001 -8.915 8.140 1.00 10.00 N ATOM 826 CA ASP A 58 -0.789 -9.740 7.866 1.00 10.00 C ATOM 827 C ASP A 58 -0.530 -10.712 9.022 1.00 10.00 C ATOM 828 O ASP A 58 -0.615 -10.354 10.180 1.00 10.00 O ATOM 829 CB ASP A 58 0.357 -8.733 7.748 1.00 10.00 C ATOM 830 CG ASP A 58 0.708 -8.192 9.136 1.00 10.00 C ATOM 831 OD1 ASP A 58 -0.206 -7.987 9.919 1.00 10.00 O ATOM 832 OD2 ASP A 58 1.884 -7.992 9.393 1.00 10.00 O ATOM 0 H ASP A 58 -2.005 -8.433 9.039 1.00 10.00 H new ATOM 0 HA ASP A 58 -0.899 -10.344 6.965 1.00 10.00 H new ATOM 0 HB2 ASP A 58 1.229 -9.210 7.301 1.00 10.00 H new ATOM 0 HB3 ASP A 58 0.069 -7.914 7.089 1.00 10.00 H new ATOM 837 N TRP A 59 -0.208 -11.941 8.713 1.00 10.00 N ATOM 838 CA TRP A 59 0.065 -12.938 9.790 1.00 10.00 C ATOM 839 C TRP A 59 1.312 -13.752 9.438 1.00 10.00 C ATOM 840 O TRP A 59 1.592 -13.986 8.280 1.00 10.00 O ATOM 841 CB TRP A 59 -1.164 -13.854 9.828 1.00 10.00 C ATOM 842 CG TRP A 59 -2.418 -13.040 9.784 1.00 10.00 C ATOM 843 CD1 TRP A 59 -2.831 -12.308 8.725 1.00 10.00 C ATOM 844 CD2 TRP A 59 -3.434 -12.873 10.816 1.00 10.00 C ATOM 845 NE1 TRP A 59 -4.025 -11.692 9.045 1.00 50.00 N ATOM 846 CE2 TRP A 59 -4.440 -12.011 10.321 1.00 50.00 C ATOM 847 CE3 TRP A 59 -3.578 -13.377 12.122 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -5.550 -11.661 11.091 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -4.694 -13.028 12.900 1.00 50.00 C ATOM 850 CH2 TRP A 59 -5.679 -12.172 12.385 1.00 50.00 C ATOM 0 H TRP A 59 -0.122 -12.297 7.761 1.00 10.00 H new ATOM 0 HA TRP A 59 0.241 -12.458 10.753 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -1.139 -14.543 8.983 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -1.147 -14.460 10.734 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -2.312 -12.219 7.782 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -4.538 -11.076 8.414 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -2.826 -14.036 12.529 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -6.304 -11.000 10.690 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -4.795 -13.421 13.901 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -6.536 -11.908 12.988 1.00 50.00 H new ATOM 861 N PRO A 60 2.018 -14.164 10.455 1.00 10.00 N ATOM 862 CA PRO A 60 3.246 -14.969 10.246 1.00 10.00 C ATOM 863 C PRO A 60 2.873 -16.385 9.798 1.00 10.00 C ATOM 864 O PRO A 60 2.005 -17.017 10.365 1.00 10.00 O ATOM 865 CB PRO A 60 3.903 -14.987 11.623 1.00 10.00 C ATOM 866 CG PRO A 60 2.782 -14.758 12.588 1.00 10.00 C ATOM 867 CD PRO A 60 1.748 -13.923 11.877 1.00 10.00 C ATOM 0 HA PRO A 60 3.903 -14.565 9.476 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.398 -15.939 11.812 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.663 -14.210 11.708 1.00 10.00 H new ATOM 0 HG2 PRO A 60 2.354 -15.706 12.913 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.141 -14.247 13.481 1.00 10.00 H new ATOM 0 HD2 PRO A 60 0.736 -14.224 12.148 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.845 -12.867 12.129 1.00 10.00 H new ATOM 875 N PHE A 61 3.519 -16.886 8.781 1.00 10.00 N ATOM 876 CA PHE A 61 3.194 -18.259 8.300 1.00 10.00 C ATOM 877 C PHE A 61 4.361 -18.824 7.493 1.00 10.00 C ATOM 878 O PHE A 61 5.093 -18.099 6.848 1.00 10.00 O ATOM 879 CB PHE A 61 1.964 -18.085 7.410 1.00 10.00 C ATOM 880 CG PHE A 61 2.355 -17.358 6.144 1.00 10.00 C ATOM 881 CD1 PHE A 61 3.049 -18.034 5.132 1.00 10.00 C ATOM 882 CD2 PHE A 61 2.019 -16.010 5.983 1.00 10.00 C ATOM 883 CE1 PHE A 61 3.406 -17.358 3.959 1.00 10.00 C ATOM 884 CE2 PHE A 61 2.375 -15.334 4.809 1.00 10.00 C ATOM 885 CZ PHE A 61 3.069 -16.010 3.797 1.00 10.00 C ATOM 0 H PHE A 61 4.255 -16.406 8.264 1.00 10.00 H new ATOM 0 HA PHE A 61 3.009 -18.952 9.121 1.00 10.00 H new ATOM 0 HB2 PHE A 61 1.538 -19.058 7.166 1.00 10.00 H new ATOM 0 HB3 PHE A 61 1.195 -17.524 7.941 1.00 10.00 H new ATOM 0 HD1 PHE A 61 3.308 -19.075 5.256 1.00 10.00 H new ATOM 0 HD2 PHE A 61 1.485 -15.490 6.764 1.00 10.00 H new ATOM 0 HE1 PHE A 61 3.942 -17.878 3.179 1.00 10.00 H new ATOM 0 HE2 PHE A 61 2.115 -14.293 4.684 1.00 10.00 H new ATOM 0 HZ PHE A 61 3.344 -15.490 2.891 1.00 10.00 H new ATOM 895 N SER A 62 4.546 -20.113 7.527 1.00 10.00 N ATOM 896 CA SER A 62 5.671 -20.722 6.771 1.00 10.00 C ATOM 897 C SER A 62 5.268 -22.087 6.205 1.00 10.00 C ATOM 898 O SER A 62 5.332 -22.322 5.015 1.00 10.00 O ATOM 899 CB SER A 62 6.793 -20.878 7.797 1.00 10.00 C ATOM 900 OG SER A 62 7.295 -19.596 8.146 1.00 10.00 O ATOM 0 H SER A 62 3.965 -20.771 8.047 1.00 10.00 H new ATOM 0 HA SER A 62 5.971 -20.110 5.921 1.00 10.00 H new ATOM 0 HB2 SER A 62 6.420 -21.389 8.685 1.00 10.00 H new ATOM 0 HB3 SER A 62 7.593 -21.495 7.387 1.00 10.00 H new ATOM 0 HG SER A 62 8.013 -19.694 8.805 1.00 10.00 H new ATOM 906 N CYS A 63 4.879 -22.997 7.055 1.00 10.00 N ATOM 907 CA CYS A 63 4.501 -24.357 6.575 1.00 10.00 C ATOM 908 C CYS A 63 3.100 -24.356 5.927 1.00 10.00 C ATOM 909 O CYS A 63 2.885 -24.972 4.902 1.00 10.00 O ATOM 910 CB CYS A 63 4.568 -25.231 7.840 1.00 10.00 C ATOM 911 SG CYS A 63 2.976 -25.259 8.701 1.00 10.00 S ATOM 0 H CYS A 63 4.806 -22.858 8.063 1.00 10.00 H new ATOM 0 HA CYS A 63 5.161 -24.730 5.792 1.00 10.00 H new ATOM 0 HB2 CYS A 63 4.856 -26.247 7.569 1.00 10.00 H new ATOM 0 HB3 CYS A 63 5.339 -24.849 8.509 1.00 10.00 H new ATOM 916 N ARG A 64 2.154 -23.659 6.503 1.00 10.00 N ATOM 917 CA ARG A 64 0.777 -23.606 5.905 1.00 10.00 C ATOM 918 C ARG A 64 0.170 -25.008 5.742 1.00 10.00 C ATOM 919 O ARG A 64 -0.613 -25.254 4.847 1.00 10.00 O ATOM 920 CB ARG A 64 0.971 -22.953 4.537 1.00 10.00 C ATOM 921 CG ARG A 64 1.751 -21.648 4.703 1.00 10.00 C ATOM 922 CD ARG A 64 1.068 -20.540 3.900 1.00 10.00 C ATOM 923 NE ARG A 64 2.029 -20.215 2.809 1.00 10.00 N ATOM 924 CZ ARG A 64 1.600 -19.689 1.695 1.00 10.00 C ATOM 925 NH1 ARG A 64 0.369 -19.259 1.606 1.00 10.00 N ATOM 926 NH2 ARG A 64 2.399 -19.594 0.668 1.00 10.00 N ATOM 0 H ARG A 64 2.272 -23.122 7.362 1.00 10.00 H new ATOM 0 HA ARG A 64 0.089 -23.054 6.545 1.00 10.00 H new ATOM 0 HB2 ARG A 64 1.509 -23.629 3.872 1.00 10.00 H new ATOM 0 HB3 ARG A 64 0.003 -22.755 4.076 1.00 10.00 H new ATOM 0 HG2 ARG A 64 1.799 -21.372 5.756 1.00 10.00 H new ATOM 0 HG3 ARG A 64 2.778 -21.779 4.361 1.00 10.00 H new ATOM 0 HD2 ARG A 64 0.111 -20.874 3.498 1.00 10.00 H new ATOM 0 HD3 ARG A 64 0.865 -19.668 4.522 1.00 10.00 H new ATOM 0 HE ARG A 64 3.024 -20.404 2.933 1.00 10.00 H new ATOM 0 HH11 ARG A 64 -0.257 -19.335 2.408 1.00 10.00 H new ATOM 0 HH12 ARG A 64 0.034 -18.848 0.735 1.00 10.00 H new ATOM 0 HH21 ARG A 64 3.359 -19.931 0.736 1.00 10.00 H new ATOM 0 HH22 ARG A 64 2.063 -19.183 -0.203 1.00 10.00 H new ATOM 940 N ALA A 65 0.520 -25.920 6.600 1.00 10.00 N ATOM 941 CA ALA A 65 -0.035 -27.300 6.511 1.00 10.00 C ATOM 942 C ALA A 65 -0.381 -27.826 7.913 1.00 10.00 C ATOM 943 O ALA A 65 -0.806 -28.952 8.072 1.00 10.00 O ATOM 944 CB ALA A 65 1.084 -28.134 5.887 1.00 10.00 C ATOM 0 H ALA A 65 1.174 -25.769 7.368 1.00 10.00 H new ATOM 0 HA ALA A 65 -0.952 -27.340 5.923 1.00 10.00 H new ATOM 0 HB1 ALA A 65 0.754 -29.168 5.787 1.00 10.00 H new ATOM 0 HB2 ALA A 65 1.330 -27.734 4.903 1.00 10.00 H new ATOM 0 HB3 ALA A 65 1.966 -28.095 6.526 1.00 10.00 H new ATOM 950 N GLY A 66 -0.205 -27.017 8.929 1.00 10.00 N ATOM 951 CA GLY A 66 -0.529 -27.478 10.312 1.00 10.00 C ATOM 952 C GLY A 66 0.634 -28.301 10.877 1.00 10.00 C ATOM 953 O GLY A 66 0.429 -29.289 11.554 1.00 10.00 O ATOM 0 H GLY A 66 0.147 -26.062 8.860 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -0.723 -26.619 10.954 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -1.438 -28.079 10.300 1.00 10.00 H new ATOM 957 N ALA A 67 1.853 -27.917 10.600 1.00 10.00 N ATOM 958 CA ALA A 67 3.012 -28.699 11.121 1.00 10.00 C ATOM 959 C ALA A 67 4.027 -27.796 11.836 1.00 10.00 C ATOM 960 O ALA A 67 5.097 -28.237 12.206 1.00 10.00 O ATOM 961 CB ALA A 67 3.646 -29.332 9.882 1.00 10.00 C ATOM 0 H ALA A 67 2.095 -27.100 10.039 1.00 10.00 H new ATOM 0 HA ALA A 67 2.695 -29.439 11.856 1.00 10.00 H new ATOM 0 HB1 ALA A 67 4.510 -29.927 10.179 1.00 10.00 H new ATOM 0 HB2 ALA A 67 2.916 -29.973 9.387 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.965 -28.548 9.195 1.00 10.00 H new ATOM 967 N CYS A 68 3.715 -26.544 12.042 1.00 10.00 N ATOM 968 CA CYS A 68 4.689 -25.651 12.741 1.00 10.00 C ATOM 969 C CYS A 68 3.952 -24.649 13.646 1.00 10.00 C ATOM 970 O CYS A 68 2.741 -24.662 13.742 1.00 10.00 O ATOM 971 CB CYS A 68 5.481 -24.962 11.613 1.00 10.00 C ATOM 972 SG CYS A 68 4.761 -23.355 11.179 1.00 10.00 S ATOM 0 H CYS A 68 2.839 -26.104 11.761 1.00 10.00 H new ATOM 0 HA CYS A 68 5.359 -26.196 13.406 1.00 10.00 H new ATOM 0 HB2 CYS A 68 6.516 -24.825 11.925 1.00 10.00 H new ATOM 0 HB3 CYS A 68 5.496 -25.605 10.733 1.00 10.00 H new ATOM 977 N ALA A 69 4.674 -23.790 14.322 1.00 10.00 N ATOM 978 CA ALA A 69 4.007 -22.805 15.228 1.00 10.00 C ATOM 979 C ALA A 69 4.390 -21.367 14.856 1.00 10.00 C ATOM 980 O ALA A 69 4.140 -20.439 15.598 1.00 10.00 O ATOM 981 CB ALA A 69 4.522 -23.147 16.626 1.00 25.00 C ATOM 0 H ALA A 69 5.691 -23.728 14.286 1.00 10.00 H new ATOM 0 HA ALA A 69 2.921 -22.863 15.158 1.00 10.00 H new ATOM 0 HB1 ALA A 69 4.079 -22.467 17.354 1.00 25.00 H new ATOM 0 HB2 ALA A 69 4.248 -24.173 16.874 1.00 25.00 H new ATOM 0 HB3 ALA A 69 5.607 -23.046 16.649 1.00 25.00 H new ATOM 987 N ASN A 70 4.990 -21.174 13.715 1.00 10.00 N ATOM 988 CA ASN A 70 5.380 -19.795 13.300 1.00 10.00 C ATOM 989 C ASN A 70 4.149 -18.889 13.274 1.00 10.00 C ATOM 990 O ASN A 70 4.200 -17.740 13.669 1.00 10.00 O ATOM 991 CB ASN A 70 5.947 -19.953 11.890 1.00 50.00 C ATOM 992 CG ASN A 70 7.412 -20.379 11.969 1.00 50.00 C ATOM 993 OD1 ASN A 70 7.709 -21.538 12.191 1.00 50.00 O ATOM 994 ND2 ASN A 70 8.349 -19.487 11.798 1.00 50.00 N ATOM 0 H ASN A 70 5.228 -21.911 13.051 1.00 10.00 H new ATOM 0 HA ASN A 70 6.099 -19.345 13.984 1.00 10.00 H new ATOM 0 HB2 ASN A 70 5.372 -20.696 11.337 1.00 50.00 H new ATOM 0 HB3 ASN A 70 5.860 -19.013 11.345 1.00 50.00 H new ATOM 0 HD21 ASN A 70 9.330 -19.761 11.850 1.00 50.00 H new ATOM 0 HD22 ASN A 70 8.100 -18.515 11.612 1.00 50.00 H new ATOM 1001 N CYS A 71 3.041 -19.400 12.818 1.00 10.00 N ATOM 1002 CA CYS A 71 1.801 -18.577 12.771 1.00 10.00 C ATOM 1003 C CYS A 71 1.048 -18.703 14.103 1.00 10.00 C ATOM 1004 O CYS A 71 -0.088 -18.292 14.232 1.00 10.00 O ATOM 1005 CB CYS A 71 0.983 -19.171 11.615 1.00 10.00 C ATOM 1006 SG CYS A 71 0.219 -20.728 12.142 1.00 10.00 S ATOM 0 H CYS A 71 2.940 -20.355 12.475 1.00 10.00 H new ATOM 0 HA CYS A 71 1.999 -17.516 12.619 1.00 10.00 H new ATOM 0 HB2 CYS A 71 0.214 -18.465 11.301 1.00 10.00 H new ATOM 0 HB3 CYS A 71 1.627 -19.345 10.753 1.00 10.00 H new ATOM 1011 N ALA A 72 1.682 -19.282 15.089 1.00 10.00 N ATOM 1012 CA ALA A 72 1.022 -19.458 16.415 1.00 10.00 C ATOM 1013 C ALA A 72 0.244 -18.199 16.814 1.00 10.00 C ATOM 1014 O ALA A 72 0.562 -17.099 16.406 1.00 10.00 O ATOM 1015 CB ALA A 72 2.169 -19.711 17.394 1.00 10.00 C ATOM 0 H ALA A 72 2.634 -19.642 15.031 1.00 10.00 H new ATOM 0 HA ALA A 72 0.300 -20.274 16.403 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.767 -19.851 18.397 1.00 10.00 H new ATOM 0 HB2 ALA A 72 2.714 -20.606 17.093 1.00 10.00 H new ATOM 0 HB3 ALA A 72 2.845 -18.856 17.391 1.00 10.00 H new ATOM 1021 N SER A 73 -0.774 -18.363 17.615 1.00 10.00 N ATOM 1022 CA SER A 73 -1.588 -17.194 18.060 1.00 10.00 C ATOM 1023 C SER A 73 -1.874 -17.301 19.558 1.00 10.00 C ATOM 1024 O SER A 73 -1.221 -18.032 20.274 1.00 10.00 O ATOM 1025 CB SER A 73 -2.888 -17.293 17.261 1.00 50.00 C ATOM 1026 OG SER A 73 -3.557 -16.041 17.289 1.00 50.00 O ATOM 0 H SER A 73 -1.079 -19.264 17.983 1.00 10.00 H new ATOM 0 HA SER A 73 -1.079 -16.244 17.895 1.00 10.00 H new ATOM 0 HB2 SER A 73 -2.674 -17.580 16.232 1.00 50.00 H new ATOM 0 HB3 SER A 73 -3.528 -18.069 17.682 1.00 50.00 H new ATOM 0 HG SER A 73 -2.995 -15.380 17.745 1.00 50.00 H new ATOM 1032 N ILE A 74 -2.845 -16.578 20.033 1.00 10.00 N ATOM 1033 CA ILE A 74 -3.182 -16.642 21.484 1.00 10.00 C ATOM 1034 C ILE A 74 -4.680 -16.386 21.685 1.00 10.00 C ATOM 1035 O ILE A 74 -5.089 -15.326 22.114 1.00 10.00 O ATOM 1036 CB ILE A 74 -2.339 -15.543 22.137 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -0.907 -16.047 22.328 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -2.932 -15.176 23.500 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -0.929 -17.370 23.099 1.00 10.00 C ATOM 0 H ILE A 74 -3.422 -15.944 19.481 1.00 10.00 H new ATOM 0 HA ILE A 74 -2.971 -17.618 21.921 1.00 10.00 H new ATOM 0 HB ILE A 74 -2.337 -14.662 21.495 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -0.427 -16.186 21.359 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -0.319 -15.307 22.871 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -2.329 -14.394 23.961 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.953 -14.817 23.368 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -2.938 -16.056 24.143 1.00 50.00 H new ATOM 0 HD11 ILE A 74 0.091 -17.729 23.235 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -1.392 -17.216 24.074 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -1.502 -18.109 22.538 1.00 10.00 H new ATOM 1051 N VAL A 75 -5.499 -17.354 21.374 1.00 10.00 N ATOM 1052 CA VAL A 75 -6.972 -17.173 21.544 1.00 10.00 C ATOM 1053 C VAL A 75 -7.288 -16.671 22.956 1.00 10.00 C ATOM 1054 O VAL A 75 -7.043 -17.349 23.933 1.00 10.00 O ATOM 1055 CB VAL A 75 -7.573 -18.561 21.320 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -7.068 -19.518 22.402 1.00 50.00 C ATOM 1057 CG2 VAL A 75 -9.099 -18.472 21.389 1.00 50.00 C ATOM 0 H VAL A 75 -5.213 -18.263 21.009 1.00 10.00 H new ATOM 0 HA VAL A 75 -7.378 -16.437 20.850 1.00 10.00 H new ATOM 0 HB VAL A 75 -7.274 -18.932 20.340 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -7.497 -20.507 22.242 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -5.981 -19.581 22.353 1.00 50.00 H new ATOM 0 HG13 VAL A 75 -7.366 -19.148 23.383 1.00 50.00 H new ATOM 0 HG21 VAL A 75 -9.529 -19.461 21.229 1.00 50.00 H new ATOM 0 HG22 VAL A 75 -9.398 -18.100 22.369 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -9.459 -17.791 20.618 1.00 50.00 H new ATOM 1067 N LYS A 76 -7.827 -15.489 23.071 1.00 10.00 N ATOM 1068 CA LYS A 76 -8.155 -14.947 24.420 1.00 10.00 C ATOM 1069 C LYS A 76 -9.483 -15.524 24.918 1.00 10.00 C ATOM 1070 O LYS A 76 -9.796 -15.457 26.091 1.00 10.00 O ATOM 1071 CB LYS A 76 -8.270 -13.436 24.219 1.00 25.00 C ATOM 1072 CG LYS A 76 -7.255 -12.721 25.114 1.00 25.00 C ATOM 1073 CD LYS A 76 -6.019 -12.350 24.292 1.00 50.00 C ATOM 1074 CE LYS A 76 -5.840 -10.830 24.300 1.00 50.00 C ATOM 1075 NZ LYS A 76 -4.553 -10.599 25.017 1.00 50.00 N ATOM 0 H LYS A 76 -8.055 -14.875 22.289 1.00 10.00 H new ATOM 0 HA LYS A 76 -7.401 -15.206 25.163 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -8.090 -13.183 23.174 1.00 25.00 H new ATOM 0 HB3 LYS A 76 -9.280 -13.103 24.459 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -7.702 -11.824 25.543 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -6.971 -13.365 25.946 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -5.134 -12.833 24.707 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -6.128 -12.709 23.269 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -5.805 -10.431 23.286 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -6.669 -10.337 24.808 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -4.300 -9.592 24.961 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -4.657 -10.875 26.014 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -3.803 -11.169 24.576 1.00 50.00 H new ATOM 1089 N GLU A 77 -10.268 -16.088 24.042 1.00 10.00 N ATOM 1090 CA GLU A 77 -11.573 -16.663 24.480 1.00 10.00 C ATOM 1091 C GLU A 77 -12.367 -17.179 23.277 1.00 10.00 C ATOM 1092 O GLU A 77 -12.048 -16.892 22.140 1.00 10.00 O ATOM 1093 CB GLU A 77 -12.311 -15.502 25.147 1.00 10.00 C ATOM 1094 CG GLU A 77 -12.823 -15.943 26.519 1.00 10.00 C ATOM 1095 CD GLU A 77 -14.147 -15.236 26.819 1.00 25.00 C ATOM 1096 OE1 GLU A 77 -15.129 -15.562 26.172 1.00 25.00 O ATOM 1097 OE2 GLU A 77 -14.155 -14.382 27.689 1.00 25.00 O ATOM 0 H GLU A 77 -10.065 -16.176 23.046 1.00 10.00 H new ATOM 0 HA GLU A 77 -11.440 -17.509 25.154 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -11.644 -14.647 25.254 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -13.144 -15.180 24.522 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -12.963 -17.024 26.537 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -12.088 -15.704 27.288 1.00 10.00 H new ATOM 1104 N GLY A 78 -13.402 -17.938 23.521 1.00 10.00 N ATOM 1105 CA GLY A 78 -14.220 -18.471 22.396 1.00 10.00 C ATOM 1106 C GLY A 78 -13.705 -19.856 21.999 1.00 10.00 C ATOM 1107 O GLY A 78 -13.240 -20.617 22.824 1.00 10.00 O ATOM 0 H GLY A 78 -13.716 -18.211 24.452 1.00 10.00 H new ATOM 0 HA2 GLY A 78 -15.267 -18.532 22.692 1.00 10.00 H new ATOM 0 HA3 GLY A 78 -14.169 -17.794 21.543 1.00 10.00 H new ATOM 1111 N GLU A 79 -13.783 -20.188 20.739 1.00 10.00 N ATOM 1112 CA GLU A 79 -13.299 -21.525 20.289 1.00 10.00 C ATOM 1113 C GLU A 79 -13.002 -21.502 18.787 1.00 10.00 C ATOM 1114 O GLU A 79 -13.823 -21.099 17.986 1.00 10.00 O ATOM 1115 CB GLU A 79 -14.448 -22.486 20.597 1.00 25.00 C ATOM 1116 CG GLU A 79 -14.097 -23.884 20.084 1.00 25.00 C ATOM 1117 CD GLU A 79 -13.135 -24.560 21.064 1.00 50.00 C ATOM 1118 OE1 GLU A 79 -12.885 -23.984 22.110 1.00 50.00 O ATOM 1119 OE2 GLU A 79 -12.667 -25.642 20.751 1.00 50.00 O ATOM 0 H GLU A 79 -14.160 -19.592 20.002 1.00 10.00 H new ATOM 0 HA GLU A 79 -12.377 -21.821 20.789 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -14.632 -22.517 21.671 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -15.366 -22.134 20.126 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -15.002 -24.481 19.976 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -13.640 -23.817 19.097 1.00 25.00 H new ATOM 1126 N ILE A 80 -11.831 -21.930 18.399 1.00 10.00 N ATOM 1127 CA ILE A 80 -11.482 -21.930 16.950 1.00 10.00 C ATOM 1128 C ILE A 80 -11.286 -23.363 16.448 1.00 10.00 C ATOM 1129 O ILE A 80 -10.683 -24.186 17.109 1.00 10.00 O ATOM 1130 CB ILE A 80 -10.168 -21.153 16.857 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -10.403 -19.698 17.267 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -9.648 -21.203 15.419 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -9.429 -19.322 18.386 1.00 50.00 C ATOM 0 H ILE A 80 -11.102 -22.279 19.022 1.00 10.00 H new ATOM 0 HA ILE A 80 -12.268 -21.483 16.341 1.00 10.00 H new ATOM 0 HB ILE A 80 -9.433 -21.601 17.525 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -10.261 -19.040 16.410 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -11.431 -19.565 17.605 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -8.711 -20.650 15.351 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -9.478 -22.240 15.129 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -10.383 -20.755 14.750 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -9.595 -18.285 18.680 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -9.593 -19.973 19.245 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -8.405 -19.439 18.032 1.00 50.00 H new ATOM 1145 N ASP A 81 -11.783 -23.664 15.281 1.00 10.00 N ATOM 1146 CA ASP A 81 -11.618 -25.040 14.732 1.00 10.00 C ATOM 1147 C ASP A 81 -10.410 -25.079 13.791 1.00 10.00 C ATOM 1148 O ASP A 81 -9.964 -24.061 13.303 1.00 10.00 O ATOM 1149 CB ASP A 81 -12.910 -25.319 13.964 1.00 10.00 C ATOM 1150 CG ASP A 81 -13.058 -26.826 13.746 1.00 10.00 C ATOM 1151 OD1 ASP A 81 -12.315 -27.570 14.365 1.00 10.00 O ATOM 1152 OD2 ASP A 81 -13.912 -27.210 12.963 1.00 10.00 O ATOM 0 H ASP A 81 -12.297 -23.017 14.683 1.00 10.00 H new ATOM 0 HA ASP A 81 -11.444 -25.783 15.510 1.00 10.00 H new ATOM 0 HB2 ASP A 81 -13.766 -24.935 14.519 1.00 10.00 H new ATOM 0 HB3 ASP A 81 -12.894 -24.802 13.005 1.00 10.00 H new ATOM 1157 N MET A 82 -9.874 -26.240 13.537 1.00 12.50 N ATOM 1158 CA MET A 82 -8.693 -26.325 12.628 1.00 12.50 C ATOM 1159 C MET A 82 -8.534 -27.746 12.085 1.00 12.50 C ATOM 1160 O MET A 82 -9.366 -28.604 12.302 1.00 12.50 O ATOM 1161 CB MET A 82 -7.496 -25.949 13.500 1.00 12.50 C ATOM 1162 CG MET A 82 -7.537 -26.752 14.802 1.00 12.50 C ATOM 1163 SD MET A 82 -6.248 -26.152 15.922 1.00 12.50 S ATOM 1164 CE MET A 82 -6.751 -27.102 17.378 1.00 50.00 C ATOM 0 H MET A 82 -10.199 -27.130 13.916 1.00 12.50 H new ATOM 0 HA MET A 82 -8.794 -25.669 11.764 1.00 12.50 H new ATOM 0 HB2 MET A 82 -6.567 -26.150 12.966 1.00 12.50 H new ATOM 0 HB3 MET A 82 -7.514 -24.881 13.719 1.00 12.50 H new ATOM 0 HG2 MET A 82 -8.516 -26.654 15.271 1.00 12.50 H new ATOM 0 HG3 MET A 82 -7.388 -27.811 14.593 1.00 12.50 H new ATOM 0 HE1 MET A 82 -6.472 -26.559 18.281 1.00 50.00 H new ATOM 0 HE2 MET A 82 -7.831 -27.249 17.361 1.00 50.00 H new ATOM 0 HE3 MET A 82 -6.253 -28.072 17.370 1.00 50.00 H new ATOM 1174 N ASP A 83 -7.465 -28.001 11.380 1.00 50.00 N ATOM 1175 CA ASP A 83 -7.243 -29.364 10.820 1.00 50.00 C ATOM 1176 C ASP A 83 -6.491 -30.233 11.831 1.00 50.00 C ATOM 1177 O ASP A 83 -6.347 -29.881 12.984 1.00 50.00 O ATOM 1178 CB ASP A 83 -6.395 -29.144 9.566 1.00 50.00 C ATOM 1179 CG ASP A 83 -7.169 -29.620 8.336 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -8.054 -28.901 7.902 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -6.864 -30.696 7.848 1.00 50.00 O ATOM 0 H ASP A 83 -6.734 -27.322 11.168 1.00 50.00 H new ATOM 0 HA ASP A 83 -8.178 -29.876 10.594 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -6.144 -28.088 9.465 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -5.455 -29.689 9.650 1.00 50.00 H new ATOM 1186 N MET A 84 -6.012 -31.369 11.404 1.00 50.00 N ATOM 1187 CA MET A 84 -5.269 -32.266 12.335 1.00 50.00 C ATOM 1188 C MET A 84 -4.224 -31.471 13.122 1.00 50.00 C ATOM 1189 O MET A 84 -4.049 -30.285 12.919 1.00 50.00 O ATOM 1190 CB MET A 84 -4.590 -33.294 11.431 1.00 50.00 C ATOM 1191 CG MET A 84 -4.811 -34.698 11.998 1.00 50.00 C ATOM 1192 SD MET A 84 -3.223 -35.562 12.106 1.00 50.00 S ATOM 1193 CE MET A 84 -3.775 -36.921 13.164 1.00 50.00 C ATOM 0 H MET A 84 -6.103 -31.716 10.449 1.00 50.00 H new ATOM 0 HA MET A 84 -5.926 -32.734 13.068 1.00 50.00 H new ATOM 0 HB2 MET A 84 -4.996 -33.230 10.421 1.00 50.00 H new ATOM 0 HB3 MET A 84 -3.523 -33.083 11.360 1.00 50.00 H new ATOM 0 HG2 MET A 84 -5.271 -34.635 12.984 1.00 50.00 H new ATOM 0 HG3 MET A 84 -5.498 -35.255 11.361 1.00 50.00 H new ATOM 0 HE1 MET A 84 -2.938 -37.591 13.362 1.00 50.00 H new ATOM 0 HE2 MET A 84 -4.150 -36.520 14.106 1.00 50.00 H new ATOM 0 HE3 MET A 84 -4.570 -37.473 12.662 1.00 50.00 H new ATOM 1203 N GLN A 85 -3.527 -32.114 14.019 1.00 16.66 N ATOM 1204 CA GLN A 85 -2.494 -31.396 14.820 1.00 16.66 C ATOM 1205 C GLN A 85 -1.419 -32.375 15.299 1.00 16.66 C ATOM 1206 O GLN A 85 -1.716 -33.424 15.834 1.00 16.66 O ATOM 1207 CB GLN A 85 -3.253 -30.811 16.011 1.00 16.66 C ATOM 1208 CG GLN A 85 -2.420 -29.699 16.651 1.00 16.66 C ATOM 1209 CD GLN A 85 -3.163 -28.369 16.524 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -3.659 -28.036 15.465 1.00 16.66 O ATOM 1211 NE2 GLN A 85 -3.263 -27.589 17.565 1.00 16.66 N ATOM 0 H GLN A 85 -3.628 -33.106 14.232 1.00 16.66 H new ATOM 0 HA GLN A 85 -1.986 -30.625 14.241 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -4.215 -30.417 15.684 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -3.460 -31.592 16.743 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -2.236 -29.926 17.701 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -1.447 -29.632 16.164 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -2.847 -27.868 18.453 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -3.757 -26.700 17.490 1.00 16.66 H new ATOM 1220 N GLN A 86 -0.170 -32.042 15.111 1.00 16.66 N ATOM 1221 CA GLN A 86 0.918 -32.959 15.558 1.00 16.66 C ATOM 1222 C GLN A 86 2.028 -32.169 16.259 1.00 16.66 C ATOM 1223 O GLN A 86 2.626 -32.631 17.210 1.00 16.66 O ATOM 1224 CB GLN A 86 1.445 -33.600 14.274 1.00 16.66 C ATOM 1225 CG GLN A 86 0.606 -34.834 13.940 1.00 16.66 C ATOM 1226 CD GLN A 86 1.470 -35.853 13.197 1.00 50.00 C ATOM 1227 OE1 GLN A 86 1.301 -36.060 12.012 1.00 50.00 O ATOM 1228 NE2 GLN A 86 2.394 -36.505 13.848 1.00 50.00 N ATOM 0 H GLN A 86 0.143 -31.178 14.669 1.00 16.66 H new ATOM 0 HA GLN A 86 0.563 -33.703 16.271 1.00 16.66 H new ATOM 0 HB2 GLN A 86 1.402 -32.884 13.453 1.00 16.66 H new ATOM 0 HB3 GLN A 86 2.491 -33.881 14.397 1.00 16.66 H new ATOM 0 HG2 GLN A 86 0.210 -35.276 14.854 1.00 16.66 H new ATOM 0 HG3 GLN A 86 -0.249 -34.550 13.326 1.00 16.66 H new ATOM 0 HE21 GLN A 86 2.536 -36.331 14.843 1.00 50.00 H new ATOM 0 HE22 GLN A 86 2.974 -37.188 13.362 1.00 50.00 H new ATOM 1237 N ILE A 87 2.311 -30.983 15.794 1.00 12.50 N ATOM 1238 CA ILE A 87 3.385 -30.169 16.435 1.00 12.50 C ATOM 1239 C ILE A 87 2.846 -29.463 17.680 1.00 12.50 C ATOM 1240 O ILE A 87 3.588 -29.119 18.579 1.00 12.50 O ATOM 1241 CB ILE A 87 3.797 -29.148 15.373 1.00 50.00 C ATOM 1242 CG1 ILE A 87 4.878 -28.226 15.941 1.00 50.00 C ATOM 1243 CG2 ILE A 87 2.579 -28.316 14.966 1.00 50.00 C ATOM 1244 CD1 ILE A 87 6.204 -28.491 15.223 1.00 50.00 C ATOM 0 H ILE A 87 1.847 -30.542 15.000 1.00 12.50 H new ATOM 0 HA ILE A 87 4.227 -30.781 16.760 1.00 12.50 H new ATOM 0 HB ILE A 87 4.189 -29.671 14.500 1.00 50.00 H new ATOM 0 HG12 ILE A 87 4.585 -27.184 15.814 1.00 50.00 H new ATOM 0 HG13 ILE A 87 4.991 -28.397 17.011 1.00 50.00 H new ATOM 0 HG21 ILE A 87 2.872 -27.588 14.209 1.00 50.00 H new ATOM 0 HG22 ILE A 87 1.809 -28.972 14.560 1.00 50.00 H new ATOM 0 HG23 ILE A 87 2.187 -27.794 15.839 1.00 50.00 H new ATOM 0 HD11 ILE A 87 6.974 -27.834 15.627 1.00 50.00 H new ATOM 0 HD12 ILE A 87 6.498 -29.530 15.373 1.00 50.00 H new ATOM 0 HD13 ILE A 87 6.085 -28.298 14.157 1.00 50.00 H new ATOM 1256 N LEU A 88 1.562 -29.244 17.744 1.00 12.50 N ATOM 1257 CA LEU A 88 0.985 -28.561 18.937 1.00 12.50 C ATOM 1258 C LEU A 88 0.166 -29.550 19.771 1.00 12.50 C ATOM 1259 O LEU A 88 -0.364 -30.518 19.261 1.00 12.50 O ATOM 1260 CB LEU A 88 0.085 -27.461 18.371 1.00 12.50 C ATOM 1261 CG LEU A 88 0.942 -26.266 17.946 1.00 12.50 C ATOM 1262 CD1 LEU A 88 0.032 -25.106 17.537 1.00 12.50 C ATOM 1263 CD2 LEU A 88 1.827 -25.829 19.116 1.00 12.50 C ATOM 0 H LEU A 88 0.889 -29.507 17.025 1.00 12.50 H new ATOM 0 HA LEU A 88 1.757 -28.157 19.593 1.00 12.50 H new ATOM 0 HB2 LEU A 88 -0.477 -27.840 17.518 1.00 12.50 H new ATOM 0 HB3 LEU A 88 -0.643 -27.151 19.120 1.00 12.50 H new ATOM 0 HG LEU A 88 1.570 -26.552 17.102 1.00 12.50 H new ATOM 0 HD11 LEU A 88 0.642 -24.255 17.234 1.00 12.50 H new ATOM 0 HD12 LEU A 88 -0.599 -25.415 16.704 1.00 12.50 H new ATOM 0 HD13 LEU A 88 -0.596 -24.821 18.381 1.00 12.50 H new ATOM 0 HD21 LEU A 88 2.437 -24.978 18.813 1.00 12.50 H new ATOM 0 HD22 LEU A 88 1.199 -25.543 19.960 1.00 12.50 H new ATOM 0 HD23 LEU A 88 2.476 -26.654 19.410 1.00 12.50 H new ATOM 1275 N SER A 89 0.060 -29.313 21.050 1.00 12.50 N ATOM 1276 CA SER A 89 -0.722 -30.239 21.918 1.00 12.50 C ATOM 1277 C SER A 89 -1.993 -29.547 22.420 1.00 12.50 C ATOM 1278 O SER A 89 -2.052 -28.338 22.524 1.00 12.50 O ATOM 1279 CB SER A 89 0.209 -30.565 23.087 1.00 12.50 C ATOM 1280 OG SER A 89 1.546 -30.646 22.618 1.00 12.50 O ATOM 0 H SER A 89 0.481 -28.518 21.531 1.00 12.50 H new ATOM 0 HA SER A 89 -1.039 -31.136 21.386 1.00 12.50 H new ATOM 0 HB2 SER A 89 0.128 -29.797 23.856 1.00 12.50 H new ATOM 0 HB3 SER A 89 -0.084 -31.509 23.547 1.00 12.50 H new ATOM 0 HG SER A 89 2.143 -30.853 23.367 1.00 12.50 H new ATOM 1286 N ASP A 90 -3.008 -30.304 22.736 1.00 10.00 N ATOM 1287 CA ASP A 90 -4.271 -29.687 23.232 1.00 10.00 C ATOM 1288 C ASP A 90 -3.979 -28.796 24.441 1.00 10.00 C ATOM 1289 O ASP A 90 -4.578 -27.753 24.618 1.00 10.00 O ATOM 1290 CB ASP A 90 -5.158 -30.867 23.632 1.00 10.00 C ATOM 1291 CG ASP A 90 -6.528 -30.349 24.074 1.00 10.00 C ATOM 1292 OD1 ASP A 90 -6.804 -29.185 23.839 1.00 10.00 O ATOM 1293 OD2 ASP A 90 -7.279 -31.127 24.639 1.00 10.00 O ATOM 0 H ASP A 90 -3.017 -31.322 22.672 1.00 10.00 H new ATOM 0 HA ASP A 90 -4.749 -29.058 22.482 1.00 10.00 H new ATOM 0 HB2 ASP A 90 -5.270 -31.552 22.792 1.00 10.00 H new ATOM 0 HB3 ASP A 90 -4.691 -31.429 24.441 1.00 10.00 H new ATOM 1298 N GLU A 91 -3.057 -29.198 25.269 1.00 12.50 N ATOM 1299 CA GLU A 91 -2.718 -28.373 26.464 1.00 12.50 C ATOM 1300 C GLU A 91 -2.231 -26.992 26.019 1.00 12.50 C ATOM 1301 O GLU A 91 -2.434 -26.004 26.696 1.00 12.50 O ATOM 1302 CB GLU A 91 -1.598 -29.138 27.171 1.00 12.50 C ATOM 1303 CG GLU A 91 -1.781 -29.025 28.686 1.00 12.50 C ATOM 1304 CD GLU A 91 -0.435 -29.234 29.380 1.00 50.00 C ATOM 1305 OE1 GLU A 91 -0.104 -30.374 29.658 1.00 50.00 O ATOM 1306 OE2 GLU A 91 0.243 -28.248 29.623 1.00 50.00 O ATOM 0 H GLU A 91 -2.523 -30.061 25.171 1.00 12.50 H new ATOM 0 HA GLU A 91 -3.575 -28.216 27.120 1.00 12.50 H new ATOM 0 HB2 GLU A 91 -1.612 -30.185 26.869 1.00 12.50 H new ATOM 0 HB3 GLU A 91 -0.628 -28.735 26.880 1.00 12.50 H new ATOM 0 HG2 GLU A 91 -2.186 -28.046 28.942 1.00 12.50 H new ATOM 0 HG3 GLU A 91 -2.500 -29.768 29.032 1.00 12.50 H new ATOM 1313 N GLU A 92 -1.594 -26.916 24.882 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.100 -25.598 24.392 1.00 10.00 C ATOM 1315 C GLU A 92 -2.283 -24.690 24.053 1.00 10.00 C ATOM 1316 O GLU A 92 -2.218 -23.485 24.199 1.00 10.00 O ATOM 1317 CB GLU A 92 -0.291 -25.917 23.134 1.00 50.00 C ATOM 1318 CG GLU A 92 1.092 -25.271 23.236 1.00 50.00 C ATOM 1319 CD GLU A 92 2.054 -26.234 23.934 1.00 50.00 C ATOM 1320 OE1 GLU A 92 1.871 -27.432 23.787 1.00 50.00 O ATOM 1321 OE2 GLU A 92 2.957 -25.758 24.602 1.00 50.00 O ATOM 0 H GLU A 92 -1.395 -27.709 24.272 1.00 10.00 H new ATOM 0 HA GLU A 92 -0.499 -25.078 25.138 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -0.192 -26.996 23.017 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -0.812 -25.547 22.251 1.00 50.00 H new ATOM 0 HG2 GLU A 92 1.465 -25.025 22.242 1.00 50.00 H new ATOM 0 HG3 GLU A 92 1.028 -24.336 23.793 1.00 50.00 H new ATOM 1328 N VAL A 93 -3.367 -25.262 23.603 1.00 10.00 N ATOM 1329 CA VAL A 93 -4.558 -24.435 23.257 1.00 10.00 C ATOM 1330 C VAL A 93 -5.277 -23.992 24.534 1.00 10.00 C ATOM 1331 O VAL A 93 -5.903 -22.952 24.577 1.00 10.00 O ATOM 1332 CB VAL A 93 -5.454 -25.358 22.431 1.00 10.00 C ATOM 1333 CG1 VAL A 93 -6.631 -24.556 21.870 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -4.647 -25.955 21.276 1.00 10.00 C ATOM 0 H VAL A 93 -3.479 -26.266 23.460 1.00 10.00 H new ATOM 0 HA VAL A 93 -4.291 -23.531 22.710 1.00 10.00 H new ATOM 0 HB VAL A 93 -5.830 -26.162 23.064 1.00 10.00 H new ATOM 0 HG11 VAL A 93 -7.271 -25.213 21.281 1.00 10.00 H new ATOM 0 HG12 VAL A 93 -7.207 -24.131 22.692 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -6.255 -23.752 21.237 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -5.286 -26.613 20.687 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -4.271 -25.152 20.642 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -3.808 -26.526 21.675 1.00 10.00 H new ATOM 1344 N GLU A 94 -5.194 -24.777 25.575 1.00 12.50 N ATOM 1345 CA GLU A 94 -5.875 -24.405 26.849 1.00 12.50 C ATOM 1346 C GLU A 94 -4.903 -23.683 27.788 1.00 12.50 C ATOM 1347 O GLU A 94 -5.277 -22.777 28.506 1.00 12.50 O ATOM 1348 CB GLU A 94 -6.318 -25.735 27.461 1.00 12.50 C ATOM 1349 CG GLU A 94 -7.830 -25.716 27.687 1.00 12.50 C ATOM 1350 CD GLU A 94 -8.256 -27.012 28.379 1.00 12.50 C ATOM 1351 OE1 GLU A 94 -7.679 -27.331 29.405 1.00 12.50 O ATOM 1352 OE2 GLU A 94 -9.154 -27.664 27.871 1.00 12.50 O ATOM 0 H GLU A 94 -4.684 -25.660 25.598 1.00 12.50 H new ATOM 0 HA GLU A 94 -6.713 -23.728 26.683 1.00 12.50 H new ATOM 0 HB2 GLU A 94 -6.049 -26.559 26.800 1.00 12.50 H new ATOM 0 HB3 GLU A 94 -5.801 -25.903 28.406 1.00 12.50 H new ATOM 0 HG2 GLU A 94 -8.107 -24.857 28.298 1.00 12.50 H new ATOM 0 HG3 GLU A 94 -8.350 -25.611 26.735 1.00 12.50 H new ATOM 1359 N GLU A 95 -3.660 -24.083 27.794 1.00 12.50 N ATOM 1360 CA GLU A 95 -2.671 -23.422 28.695 1.00 12.50 C ATOM 1361 C GLU A 95 -1.901 -22.333 27.942 1.00 12.50 C ATOM 1362 O GLU A 95 -1.439 -21.373 28.526 1.00 12.50 O ATOM 1363 CB GLU A 95 -1.725 -24.543 29.130 1.00 25.00 C ATOM 1364 CG GLU A 95 -1.591 -24.531 30.654 1.00 25.00 C ATOM 1365 CD GLU A 95 -0.534 -25.552 31.080 1.00 50.00 C ATOM 1366 OE1 GLU A 95 0.561 -25.500 30.543 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -0.836 -26.367 31.935 1.00 50.00 O ATOM 0 H GLU A 95 -3.287 -24.836 27.216 1.00 12.50 H new ATOM 0 HA GLU A 95 -3.151 -22.936 29.544 1.00 12.50 H new ATOM 0 HB2 GLU A 95 -2.107 -25.507 28.795 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -0.747 -24.409 28.667 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -1.310 -23.535 30.997 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -2.549 -24.769 31.116 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.758 -22.472 26.653 1.00 25.00 N ATOM 1375 CA LYS A 96 -1.016 -21.440 25.871 1.00 25.00 C ATOM 1376 C LYS A 96 -1.980 -20.665 24.967 1.00 25.00 C ATOM 1377 O LYS A 96 -1.642 -19.629 24.429 1.00 25.00 O ATOM 1378 CB LYS A 96 -0.007 -22.227 25.034 1.00 25.00 C ATOM 1379 CG LYS A 96 1.397 -21.661 25.260 1.00 25.00 C ATOM 1380 CD LYS A 96 2.120 -22.492 26.322 1.00 25.00 C ATOM 1381 CE LYS A 96 3.595 -22.088 26.371 1.00 25.00 C ATOM 1382 NZ LYS A 96 4.334 -23.364 26.583 1.00 25.00 N ATOM 0 H LYS A 96 -2.121 -23.253 26.107 1.00 25.00 H new ATOM 0 HA LYS A 96 -0.528 -20.707 26.513 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -0.034 -23.281 25.309 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -0.269 -22.167 23.978 1.00 25.00 H new ATOM 0 HG2 LYS A 96 1.960 -21.675 24.327 1.00 25.00 H new ATOM 0 HG3 LYS A 96 1.334 -20.621 25.579 1.00 25.00 H new ATOM 0 HD2 LYS A 96 1.657 -22.337 27.297 1.00 25.00 H new ATOM 0 HD3 LYS A 96 2.030 -23.554 26.091 1.00 25.00 H new ATOM 0 HE2 LYS A 96 3.903 -21.602 25.445 1.00 25.00 H new ATOM 0 HE3 LYS A 96 3.785 -21.382 27.180 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 5.355 -23.171 26.628 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 4.025 -23.800 27.475 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 4.139 -24.013 25.794 1.00 25.00 H new ATOM 1396 N ASP A 97 -3.177 -21.157 24.798 1.00 10.00 N ATOM 1397 CA ASP A 97 -4.162 -20.446 23.933 1.00 10.00 C ATOM 1398 C ASP A 97 -3.602 -20.268 22.522 1.00 10.00 C ATOM 1399 O ASP A 97 -4.008 -19.385 21.793 1.00 10.00 O ATOM 1400 CB ASP A 97 -4.360 -19.082 24.592 1.00 50.00 C ATOM 1401 CG ASP A 97 -5.714 -19.054 25.305 1.00 50.00 C ATOM 1402 OD1 ASP A 97 -6.576 -19.832 24.929 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -5.866 -18.255 26.214 1.00 50.00 O ATOM 0 H ASP A 97 -3.516 -22.021 25.222 1.00 10.00 H new ATOM 0 HA ASP A 97 -5.096 -21.000 23.841 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -3.557 -18.890 25.304 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -4.315 -18.293 23.841 1.00 50.00 H new ATOM 1408 N VAL A 98 -2.670 -21.089 22.130 1.00 10.00 N ATOM 1409 CA VAL A 98 -2.088 -20.943 20.766 1.00 10.00 C ATOM 1410 C VAL A 98 -2.866 -21.777 19.748 1.00 10.00 C ATOM 1411 O VAL A 98 -3.492 -22.765 20.080 1.00 10.00 O ATOM 1412 CB VAL A 98 -0.651 -21.453 20.889 1.00 50.00 C ATOM 1413 CG1 VAL A 98 0.117 -20.579 21.883 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -0.664 -22.901 21.383 1.00 50.00 C ATOM 0 H VAL A 98 -2.287 -21.851 22.690 1.00 10.00 H new ATOM 0 HA VAL A 98 -2.130 -19.911 20.418 1.00 10.00 H new ATOM 0 HB VAL A 98 -0.164 -21.407 19.915 1.00 50.00 H new ATOM 0 HG11 VAL A 98 1.141 -20.942 21.971 1.00 50.00 H new ATOM 0 HG12 VAL A 98 0.127 -19.548 21.529 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -0.369 -20.624 22.858 1.00 50.00 H new ATOM 0 HG21 VAL A 98 0.360 -23.265 21.471 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -1.151 -22.949 22.357 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -1.210 -23.523 20.674 1.00 50.00 H new ATOM 1424 N ARG A 99 -2.823 -21.384 18.505 1.00 10.00 N ATOM 1425 CA ARG A 99 -3.549 -22.142 17.448 1.00 10.00 C ATOM 1426 C ARG A 99 -2.956 -21.815 16.077 1.00 10.00 C ATOM 1427 O ARG A 99 -2.205 -20.872 15.925 1.00 10.00 O ATOM 1428 CB ARG A 99 -4.997 -21.662 17.536 1.00 50.00 C ATOM 1429 CG ARG A 99 -5.939 -22.826 17.226 1.00 50.00 C ATOM 1430 CD ARG A 99 -6.546 -23.351 18.528 1.00 50.00 C ATOM 1431 NE ARG A 99 -8.008 -23.438 18.258 1.00 50.00 N ATOM 1432 CZ ARG A 99 -8.824 -23.814 19.204 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -9.256 -25.045 19.241 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -9.210 -22.960 20.112 1.00 50.00 N ATOM 0 H ARG A 99 -2.313 -20.565 18.174 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.474 -23.221 17.583 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -5.202 -21.270 18.532 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -5.165 -20.847 16.832 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -6.729 -22.499 16.550 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -5.395 -23.623 16.718 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -6.134 -24.325 18.792 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -6.337 -22.680 19.361 1.00 50.00 H new ATOM 0 HE ARG A 99 -8.371 -23.204 17.334 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -8.956 -25.712 18.531 1.00 50.00 H new ATOM 0 HH12 ARG A 99 -9.894 -25.340 19.980 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -8.874 -21.997 20.083 1.00 50.00 H new ATOM 0 HH22 ARG A 99 -9.848 -23.255 20.851 1.00 50.00 H new ATOM 1448 N LEU A 100 -3.281 -22.586 15.078 1.00 10.00 N ATOM 1449 CA LEU A 100 -2.728 -22.314 13.721 1.00 10.00 C ATOM 1450 C LEU A 100 -3.745 -21.544 12.876 1.00 10.00 C ATOM 1451 O LEU A 100 -4.749 -22.081 12.452 1.00 10.00 O ATOM 1452 CB LEU A 100 -2.461 -23.695 13.120 1.00 10.00 C ATOM 1453 CG LEU A 100 -1.645 -24.532 14.110 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -1.105 -25.777 13.402 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -0.475 -23.701 14.640 1.00 10.00 C ATOM 0 H LEU A 100 -3.904 -23.391 15.141 1.00 10.00 H new ATOM 0 HA LEU A 100 -1.825 -21.704 13.757 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -3.403 -24.194 12.895 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -1.920 -23.596 12.179 1.00 10.00 H new ATOM 0 HG LEU A 100 -2.283 -24.833 14.941 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -0.524 -26.373 14.106 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -1.938 -26.371 13.024 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -0.468 -25.475 12.570 1.00 10.00 H new ATOM 0 HD21 LEU A 100 0.105 -24.297 15.344 1.00 10.00 H new ATOM 0 HD22 LEU A 100 0.163 -23.399 13.809 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -0.858 -22.814 15.145 1.00 10.00 H new ATOM 1467 N THR A 101 -3.492 -20.287 12.628 1.00 10.00 N ATOM 1468 CA THR A 101 -4.443 -19.482 11.811 1.00 10.00 C ATOM 1469 C THR A 101 -4.332 -19.878 10.336 1.00 10.00 C ATOM 1470 O THR A 101 -5.244 -19.673 9.559 1.00 10.00 O ATOM 1471 CB THR A 101 -4.011 -18.029 12.014 1.00 10.00 C ATOM 1472 OG1 THR A 101 -2.695 -17.851 11.506 1.00 10.00 O ATOM 1473 CG2 THR A 101 -4.033 -17.693 13.506 1.00 10.00 C ATOM 0 H THR A 101 -2.668 -19.784 12.956 1.00 10.00 H new ATOM 0 HA THR A 101 -5.480 -19.640 12.106 1.00 10.00 H new ATOM 0 HB THR A 101 -4.697 -17.368 11.484 1.00 10.00 H new ATOM 0 HG1 THR A 101 -2.418 -16.920 11.634 1.00 10.00 H new ATOM 0 HG21 THR A 101 -3.725 -16.657 13.650 1.00 10.00 H new ATOM 0 HG22 THR A 101 -5.042 -17.829 13.895 1.00 10.00 H new ATOM 0 HG23 THR A 101 -3.347 -18.353 14.038 1.00 10.00 H new ATOM 1481 N CYS A 102 -3.224 -20.445 9.944 1.00 10.00 N ATOM 1482 CA CYS A 102 -3.062 -20.855 8.520 1.00 10.00 C ATOM 1483 C CYS A 102 -4.023 -22.002 8.197 1.00 10.00 C ATOM 1484 O CYS A 102 -4.511 -22.125 7.092 1.00 10.00 O ATOM 1485 CB CYS A 102 -1.609 -21.318 8.397 1.00 10.00 C ATOM 1486 SG CYS A 102 -1.303 -22.690 9.540 1.00 10.00 S ATOM 0 H CYS A 102 -2.425 -20.642 10.547 1.00 10.00 H new ATOM 0 HA CYS A 102 -3.285 -20.044 7.827 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -1.403 -21.632 7.374 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -0.934 -20.491 8.618 1.00 10.00 H new ATOM 1491 N ILE A 103 -4.300 -22.840 9.158 1.00 10.00 N ATOM 1492 CA ILE A 103 -5.231 -23.977 8.913 1.00 10.00 C ATOM 1493 C ILE A 103 -6.307 -24.019 10.002 1.00 10.00 C ATOM 1494 O ILE A 103 -6.836 -25.063 10.326 1.00 10.00 O ATOM 1495 CB ILE A 103 -4.355 -25.228 8.980 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -3.621 -25.268 10.321 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -3.332 -25.198 7.841 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -3.845 -26.627 10.986 1.00 50.00 C ATOM 0 H ILE A 103 -3.921 -22.786 10.103 1.00 10.00 H new ATOM 0 HA ILE A 103 -5.746 -23.891 7.956 1.00 10.00 H new ATOM 0 HB ILE A 103 -4.983 -26.114 8.883 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -2.555 -25.097 10.169 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -3.983 -24.470 10.969 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -2.708 -26.090 7.889 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -3.853 -25.171 6.884 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -2.706 -24.311 7.938 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -3.322 -26.655 11.942 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -4.911 -26.780 11.152 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -3.462 -27.416 10.339 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.632 -22.890 10.573 1.00 10.00 N ATOM 1511 CA GLY A 104 -7.668 -22.866 11.644 1.00 10.00 C ATOM 1512 C GLY A 104 -8.829 -21.964 11.221 1.00 10.00 C ATOM 1513 O GLY A 104 -8.667 -21.051 10.436 1.00 10.00 O ATOM 0 H GLY A 104 -6.224 -21.984 10.343 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -8.031 -23.876 11.835 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -7.233 -22.502 12.575 1.00 10.00 H new ATOM 1517 N SER A 105 -9.999 -22.211 11.743 1.00 10.00 N ATOM 1518 CA SER A 105 -11.177 -21.369 11.383 1.00 10.00 C ATOM 1519 C SER A 105 -12.018 -21.090 12.633 1.00 10.00 C ATOM 1520 O SER A 105 -12.025 -21.871 13.562 1.00 10.00 O ATOM 1521 CB SER A 105 -11.968 -22.207 10.377 1.00 10.00 C ATOM 1522 OG SER A 105 -11.631 -23.578 10.534 1.00 10.00 O ATOM 0 H SER A 105 -10.191 -22.962 12.406 1.00 10.00 H new ATOM 0 HA SER A 105 -10.890 -20.403 10.968 1.00 10.00 H new ATOM 0 HB2 SER A 105 -13.038 -22.065 10.530 1.00 10.00 H new ATOM 0 HB3 SER A 105 -11.745 -21.881 9.361 1.00 10.00 H new ATOM 0 HG SER A 105 -12.139 -24.115 9.891 1.00 10.00 H new ATOM 1528 N PRO A 106 -12.700 -19.977 12.612 1.00 10.00 N ATOM 1529 CA PRO A 106 -13.555 -19.584 13.760 1.00 10.00 C ATOM 1530 C PRO A 106 -14.785 -20.492 13.850 1.00 10.00 C ATOM 1531 O PRO A 106 -15.450 -20.750 12.867 1.00 10.00 O ATOM 1532 CB PRO A 106 -13.958 -18.148 13.430 1.00 10.00 C ATOM 1533 CG PRO A 106 -13.845 -18.051 11.942 1.00 10.00 C ATOM 1534 CD PRO A 106 -12.741 -18.989 11.527 1.00 10.00 C ATOM 0 HA PRO A 106 -13.048 -19.669 14.721 1.00 10.00 H new ATOM 0 HB2 PRO A 106 -14.974 -17.936 13.764 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -13.303 -17.430 13.924 1.00 10.00 H new ATOM 0 HG2 PRO A 106 -14.785 -18.326 11.464 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -13.619 -17.029 11.637 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -12.953 -19.458 10.566 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -11.790 -18.467 11.424 1.00 10.00 H new ATOM 1542 N ALA A 107 -15.091 -20.982 15.021 1.00 10.00 N ATOM 1543 CA ALA A 107 -16.275 -21.877 15.169 1.00 10.00 C ATOM 1544 C ALA A 107 -17.332 -21.222 16.063 1.00 10.00 C ATOM 1545 O ALA A 107 -18.455 -21.678 16.150 1.00 10.00 O ATOM 1546 CB ALA A 107 -15.732 -23.147 15.827 1.00 50.00 C ATOM 0 H ALA A 107 -14.573 -20.802 15.881 1.00 10.00 H new ATOM 0 HA ALA A 107 -16.755 -22.084 14.212 1.00 10.00 H new ATOM 0 HB1 ALA A 107 -16.545 -23.859 15.971 1.00 50.00 H new ATOM 0 HB2 ALA A 107 -14.970 -23.591 15.187 1.00 50.00 H new ATOM 0 HB3 ALA A 107 -15.294 -22.897 16.793 1.00 50.00 H new ATOM 1552 N ALA A 108 -16.983 -20.156 16.731 1.00 10.00 N ATOM 1553 CA ALA A 108 -17.971 -19.477 17.619 1.00 10.00 C ATOM 1554 C ALA A 108 -18.280 -18.072 17.097 1.00 10.00 C ATOM 1555 O ALA A 108 -17.518 -17.495 16.348 1.00 10.00 O ATOM 1556 CB ALA A 108 -17.291 -19.405 18.986 1.00 50.00 C ATOM 0 H ALA A 108 -16.058 -19.726 16.701 1.00 10.00 H new ATOM 0 HA ALA A 108 -18.920 -20.012 17.663 1.00 10.00 H new ATOM 0 HB1 ALA A 108 -17.956 -18.917 19.698 1.00 50.00 H new ATOM 0 HB2 ALA A 108 -17.065 -20.413 19.333 1.00 50.00 H new ATOM 0 HB3 ALA A 108 -16.366 -18.834 18.903 1.00 50.00 H new ATOM 1562 N ASP A 109 -19.395 -17.516 17.487 1.00 50.00 N ATOM 1563 CA ASP A 109 -19.752 -16.149 17.014 1.00 50.00 C ATOM 1564 C ASP A 109 -18.711 -15.134 17.498 1.00 50.00 C ATOM 1565 O ASP A 109 -17.870 -14.687 16.743 1.00 50.00 O ATOM 1566 CB ASP A 109 -21.118 -15.858 17.637 1.00 50.00 C ATOM 1567 CG ASP A 109 -22.211 -16.547 16.817 1.00 50.00 C ATOM 1568 OD1 ASP A 109 -21.911 -17.551 16.192 1.00 50.00 O ATOM 1569 OD2 ASP A 109 -23.329 -16.059 16.828 1.00 50.00 O ATOM 0 H ASP A 109 -20.074 -17.950 18.113 1.00 50.00 H new ATOM 0 HA ASP A 109 -19.779 -16.081 15.926 1.00 50.00 H new ATOM 0 HB2 ASP A 109 -21.143 -16.214 18.667 1.00 50.00 H new ATOM 0 HB3 ASP A 109 -21.294 -14.783 17.667 1.00 50.00 H new ATOM 1574 N GLU A 110 -18.760 -14.768 18.749 1.00 10.00 N ATOM 1575 CA GLU A 110 -17.771 -13.785 19.279 1.00 10.00 C ATOM 1576 C GLU A 110 -16.549 -14.517 19.837 1.00 10.00 C ATOM 1577 O GLU A 110 -16.656 -15.325 20.739 1.00 10.00 O ATOM 1578 CB GLU A 110 -18.508 -13.043 20.393 1.00 10.00 C ATOM 1579 CG GLU A 110 -19.575 -12.134 19.779 1.00 10.00 C ATOM 1580 CD GLU A 110 -19.081 -10.686 19.789 1.00 50.00 C ATOM 1581 OE1 GLU A 110 -18.127 -10.411 20.498 1.00 50.00 O ATOM 1582 OE2 GLU A 110 -19.665 -9.876 19.087 1.00 50.00 O ATOM 0 H GLU A 110 -19.442 -15.107 19.428 1.00 10.00 H new ATOM 0 HA GLU A 110 -17.409 -13.105 18.508 1.00 10.00 H new ATOM 0 HB2 GLU A 110 -18.971 -13.756 21.075 1.00 10.00 H new ATOM 0 HB3 GLU A 110 -17.804 -12.452 20.979 1.00 10.00 H new ATOM 0 HG2 GLU A 110 -19.792 -12.448 18.758 1.00 10.00 H new ATOM 0 HG3 GLU A 110 -20.505 -12.216 20.342 1.00 10.00 H new ATOM 1589 N VAL A 111 -15.386 -14.248 19.306 1.00 10.00 N ATOM 1590 CA VAL A 111 -14.162 -14.936 19.807 1.00 10.00 C ATOM 1591 C VAL A 111 -13.044 -13.913 20.062 1.00 10.00 C ATOM 1592 O VAL A 111 -13.072 -12.807 19.561 1.00 10.00 O ATOM 1593 CB VAL A 111 -13.796 -15.936 18.690 1.00 12.50 C ATOM 1594 CG1 VAL A 111 -12.425 -15.616 18.078 1.00 12.50 C ATOM 1595 CG2 VAL A 111 -13.764 -17.349 19.274 1.00 12.50 C ATOM 0 H VAL A 111 -15.231 -13.583 18.548 1.00 10.00 H new ATOM 0 HA VAL A 111 -14.315 -15.446 20.758 1.00 10.00 H new ATOM 0 HB VAL A 111 -14.548 -15.861 17.905 1.00 12.50 H new ATOM 0 HG11 VAL A 111 -12.198 -16.339 17.295 1.00 12.50 H new ATOM 0 HG12 VAL A 111 -12.442 -14.613 17.652 1.00 12.50 H new ATOM 0 HG13 VAL A 111 -11.660 -15.668 18.852 1.00 12.50 H new ATOM 0 HG21 VAL A 111 -13.506 -18.061 18.490 1.00 12.50 H new ATOM 0 HG22 VAL A 111 -13.019 -17.398 20.068 1.00 12.50 H new ATOM 0 HG23 VAL A 111 -14.744 -17.597 19.681 1.00 12.50 H new ATOM 1605 N LYS A 112 -12.061 -14.286 20.833 1.00 10.00 N ATOM 1606 CA LYS A 112 -10.935 -13.351 21.119 1.00 10.00 C ATOM 1607 C LYS A 112 -9.603 -14.051 20.845 1.00 10.00 C ATOM 1608 O LYS A 112 -9.401 -15.187 21.225 1.00 10.00 O ATOM 1609 CB LYS A 112 -11.072 -13.008 22.602 1.00 25.00 C ATOM 1610 CG LYS A 112 -12.496 -12.524 22.879 1.00 25.00 C ATOM 1611 CD LYS A 112 -12.484 -11.557 24.066 1.00 25.00 C ATOM 1612 CE LYS A 112 -13.924 -11.231 24.471 1.00 25.00 C ATOM 1613 NZ LYS A 112 -13.887 -9.801 24.889 1.00 25.00 N ATOM 0 H LYS A 112 -11.988 -15.200 21.279 1.00 10.00 H new ATOM 0 HA LYS A 112 -10.962 -12.457 20.496 1.00 10.00 H new ATOM 0 HB2 LYS A 112 -10.848 -13.883 23.212 1.00 25.00 H new ATOM 0 HB3 LYS A 112 -10.353 -12.236 22.876 1.00 25.00 H new ATOM 0 HG2 LYS A 112 -12.901 -12.029 21.997 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -13.145 -13.373 23.094 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -11.950 -12.002 24.906 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -11.954 -10.643 23.799 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -14.613 -11.383 23.640 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -14.261 -11.873 25.285 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -14.827 -9.515 25.230 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -13.190 -9.680 25.652 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -13.618 -9.209 24.077 1.00 25.00 H new ATOM 1627 N ILE A 113 -8.693 -13.391 20.182 1.00 10.00 N ATOM 1628 CA ILE A 113 -7.382 -14.040 19.884 1.00 10.00 C ATOM 1629 C ILE A 113 -6.309 -12.997 19.561 1.00 10.00 C ATOM 1630 O ILE A 113 -6.594 -11.928 19.058 1.00 10.00 O ATOM 1631 CB ILE A 113 -7.658 -14.920 18.665 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -6.389 -15.688 18.290 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -8.088 -14.041 17.489 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -6.738 -17.158 18.050 1.00 10.00 C ATOM 0 H ILE A 113 -8.798 -12.437 19.835 1.00 10.00 H new ATOM 0 HA ILE A 113 -7.006 -14.608 20.735 1.00 10.00 H new ATOM 0 HB ILE A 113 -8.453 -15.627 18.901 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.942 -15.258 17.394 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -5.650 -15.603 19.087 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -8.285 -14.668 16.619 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -8.993 -13.495 17.755 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -7.293 -13.334 17.254 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.835 -17.707 17.783 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -7.166 -17.583 18.958 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -7.462 -17.232 17.238 1.00 10.00 H new ATOM 1646 N VAL A 114 -5.073 -13.312 19.839 1.00 10.00 N ATOM 1647 CA VAL A 114 -3.965 -12.360 19.543 1.00 10.00 C ATOM 1648 C VAL A 114 -3.183 -12.863 18.321 1.00 10.00 C ATOM 1649 O VAL A 114 -2.847 -14.029 18.229 1.00 10.00 O ATOM 1650 CB VAL A 114 -3.107 -12.353 20.824 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -1.614 -12.492 20.493 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -3.330 -11.039 21.574 1.00 50.00 C ATOM 0 H VAL A 114 -4.782 -14.194 20.261 1.00 10.00 H new ATOM 0 HA VAL A 114 -4.303 -11.353 19.298 1.00 10.00 H new ATOM 0 HB VAL A 114 -3.406 -13.200 21.441 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -1.034 -12.484 21.416 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -1.444 -13.431 19.966 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -1.302 -11.660 19.862 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -2.725 -11.030 22.481 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -3.041 -10.203 20.937 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.383 -10.946 21.840 1.00 50.00 H new ATOM 1662 N TYR A 115 -2.899 -11.998 17.384 1.00 10.00 N ATOM 1663 CA TYR A 115 -2.148 -12.435 16.172 1.00 10.00 C ATOM 1664 C TYR A 115 -0.650 -12.141 16.335 1.00 10.00 C ATOM 1665 O TYR A 115 -0.256 -11.265 17.082 1.00 10.00 O ATOM 1666 CB TYR A 115 -2.774 -11.639 15.006 1.00 50.00 C ATOM 1667 CG TYR A 115 -1.914 -10.451 14.621 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -1.643 -9.445 15.558 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -1.385 -10.361 13.327 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -0.845 -8.352 15.202 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -0.585 -9.268 12.972 1.00 50.00 C ATOM 1672 CZ TYR A 115 -0.315 -8.263 13.909 1.00 50.00 C ATOM 1673 OH TYR A 115 0.473 -7.186 13.558 1.00 50.00 O ATOM 0 H TYR A 115 -3.154 -11.011 17.405 1.00 10.00 H new ATOM 0 HA TYR A 115 -2.220 -13.508 15.996 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -2.900 -12.293 14.143 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -3.767 -11.293 15.292 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -2.050 -9.513 16.556 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -1.594 -11.135 12.603 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -0.638 -7.577 15.925 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -0.176 -9.200 11.975 1.00 50.00 H new ATOM 0 HH TYR A 115 -0.096 -6.451 13.247 1.00 50.00 H new ATOM 1683 N ASN A 116 0.183 -12.872 15.640 1.00 10.00 N ATOM 1684 CA ASN A 116 1.656 -12.651 15.740 1.00 10.00 C ATOM 1685 C ASN A 116 2.187 -13.176 17.077 1.00 10.00 C ATOM 1686 O ASN A 116 2.821 -12.461 17.828 1.00 10.00 O ATOM 1687 CB ASN A 116 1.854 -11.136 15.640 1.00 10.00 C ATOM 1688 CG ASN A 116 2.934 -10.832 14.601 1.00 10.00 C ATOM 1689 OD1 ASN A 116 3.888 -11.573 14.465 1.00 10.00 O ATOM 1690 ND2 ASN A 116 2.825 -9.766 13.857 1.00 10.00 N ATOM 0 H ASN A 116 -0.097 -13.618 15.003 1.00 10.00 H new ATOM 0 HA ASN A 116 2.197 -13.179 14.955 1.00 10.00 H new ATOM 0 HB2 ASN A 116 0.918 -10.654 15.359 1.00 10.00 H new ATOM 0 HB3 ASN A 116 2.143 -10.731 16.610 1.00 10.00 H new ATOM 0 HD21 ASN A 116 3.540 -9.554 13.161 1.00 10.00 H new ATOM 0 HD22 ASN A 116 2.025 -9.144 13.971 1.00 10.00 H new ATOM 1697 N ALA A 117 1.939 -14.422 17.376 1.00 10.00 N ATOM 1698 CA ALA A 117 2.438 -14.992 18.661 1.00 10.00 C ATOM 1699 C ALA A 117 3.945 -15.241 18.569 1.00 10.00 C ATOM 1700 O ALA A 117 4.633 -15.314 19.568 1.00 10.00 O ATOM 1701 CB ALA A 117 1.683 -16.309 18.834 1.00 50.00 C ATOM 0 H ALA A 117 1.414 -15.069 16.788 1.00 10.00 H new ATOM 0 HA ALA A 117 2.275 -14.321 19.505 1.00 10.00 H new ATOM 0 HB1 ALA A 117 1.997 -16.789 19.761 1.00 50.00 H new ATOM 0 HB2 ALA A 117 0.612 -16.112 18.872 1.00 50.00 H new ATOM 0 HB3 ALA A 117 1.901 -16.967 17.993 1.00 50.00 H new HETATM 1707 OH ALY A 118 6.668 -10.460 14.367 1.00 0.00 O HETATM 1708 CH ALY A 118 7.683 -10.763 13.772 1.00 0.00 C HETATM 1709 CH3 ALY A 118 8.374 -9.777 12.829 1.00 0.00 C HETATM 1710 NZ ALY A 118 8.225 -11.941 13.914 1.00 50.00 N HETATM 1711 CE ALY A 118 7.646 -12.915 14.882 1.00 50.00 C HETATM 1712 CD ALY A 118 6.349 -13.394 14.226 1.00 12.50 C HETATM 1713 CG ALY A 118 5.490 -14.121 15.262 1.00 12.50 C HETATM 1714 CB ALY A 118 6.223 -15.375 15.745 1.00 12.50 C HETATM 1715 CA ALY A 118 5.928 -15.602 17.229 1.00 12.50 C HETATM 1716 N ALY A 118 4.464 -15.367 17.378 1.00 12.50 N HETATM 1717 C ALY A 118 6.700 -14.603 18.091 1.00 12.50 C HETATM 1718 O ALY A 118 7.822 -14.846 18.489 1.00 12.50 O HETATM 0 HH33 ALY A 118 7.689 -9.497 12.029 1.00 0.00 H new HETATM 0 HH32 ALY A 118 8.666 -8.886 13.385 1.00 0.00 H new HETATM 0 HH31 ALY A 118 9.261 -10.244 12.400 1.00 0.00 H new HETATM 0 HZ ALY A 118 9.045 -12.195 13.363 1.00 50.00 H new HETATM 0 HG3 ALY A 118 4.529 -14.394 14.826 1.00 12.50 H new HETATM 0 HG2 ALY A 118 5.282 -13.462 16.105 1.00 12.50 H new HETATM 0 HE3 ALY A 118 7.452 -12.446 15.847 1.00 50.00 H new HETATM 0 HE2 ALY A 118 8.328 -13.746 15.063 1.00 50.00 H new HETATM 0 HD3 ALY A 118 6.575 -14.060 13.393 1.00 12.50 H new HETATM 0 HD2 ALY A 118 5.802 -12.545 13.816 1.00 12.50 H new HETATM 0 HCA ALY A 118 6.224 -16.601 17.548 1.00 12.50 H new HETATM 0 HB3 ALY A 118 7.296 -15.264 15.590 1.00 12.50 H new HETATM 0 HB2 ALY A 118 5.905 -16.241 15.164 1.00 12.50 H new HETATM 0 H ALY A 118 3.903 -15.113 16.565 1.00 12.50 H new ATOM 1732 N HIS A 119 6.101 -13.481 18.387 1.00 50.00 N ATOM 1733 CA HIS A 119 6.793 -12.467 19.231 1.00 50.00 C ATOM 1734 C HIS A 119 7.176 -13.089 20.574 1.00 50.00 C ATOM 1735 O HIS A 119 8.185 -12.754 21.161 1.00 50.00 O ATOM 1736 CB HIS A 119 5.770 -11.349 19.428 1.00 50.00 C ATOM 1737 CG HIS A 119 5.815 -10.411 18.253 1.00 50.00 C ATOM 1738 ND1 HIS A 119 6.943 -9.662 17.950 1.00 50.00 N ATOM 1739 CD2 HIS A 119 4.883 -10.087 17.299 1.00 50.00 C ATOM 1740 CE1 HIS A 119 6.661 -8.931 16.855 1.00 50.00 C ATOM 1741 NE2 HIS A 119 5.418 -9.153 16.418 1.00 50.00 N ATOM 0 H HIS A 119 5.163 -13.224 18.081 1.00 50.00 H new ATOM 0 HA HIS A 119 7.711 -12.097 18.773 1.00 50.00 H new ATOM 0 HB2 HIS A 119 4.770 -11.771 19.531 1.00 50.00 H new ATOM 0 HB3 HIS A 119 5.983 -10.805 20.348 1.00 50.00 H new ATOM 0 HD2 HIS A 119 3.885 -10.496 17.241 1.00 50.00 H new ATOM 0 HE1 HIS A 119 7.355 -8.248 16.387 1.00 50.00 H new ATOM 0 HE2 HIS A 119 4.960 -8.729 15.612 1.00 50.00 H new ATOM 1749 N LEU A 120 6.375 -13.997 21.062 1.00 12.50 N ATOM 1750 CA LEU A 120 6.689 -14.647 22.368 1.00 12.50 C ATOM 1751 C LEU A 120 8.182 -14.981 22.445 1.00 12.50 C ATOM 1752 O LEU A 120 8.773 -15.449 21.493 1.00 12.50 O ATOM 1753 CB LEU A 120 5.856 -15.929 22.381 1.00 12.50 C ATOM 1754 CG LEU A 120 4.724 -15.794 23.401 1.00 12.50 C ATOM 1755 CD1 LEU A 120 3.587 -16.747 23.028 1.00 12.50 C ATOM 1756 CD2 LEU A 120 5.247 -16.146 24.795 1.00 12.50 C ATOM 0 H LEU A 120 5.517 -14.317 20.613 1.00 12.50 H new ATOM 0 HA LEU A 120 6.461 -14.002 23.216 1.00 12.50 H new ATOM 0 HB2 LEU A 120 5.445 -16.118 21.389 1.00 12.50 H new ATOM 0 HB3 LEU A 120 6.486 -16.782 22.633 1.00 12.50 H new ATOM 0 HG LEU A 120 4.355 -14.768 23.400 1.00 12.50 H new ATOM 0 HD11 LEU A 120 2.780 -16.652 23.754 1.00 12.50 H new ATOM 0 HD12 LEU A 120 3.213 -16.497 22.035 1.00 12.50 H new ATOM 0 HD13 LEU A 120 3.957 -17.772 23.029 1.00 12.50 H new ATOM 0 HD21 LEU A 120 4.440 -16.050 25.521 1.00 12.50 H new ATOM 0 HD22 LEU A 120 5.616 -17.172 24.797 1.00 12.50 H new ATOM 0 HD23 LEU A 120 6.058 -15.468 25.061 1.00 12.50 H new ATOM 1768 N ASP A 121 8.794 -14.746 23.573 1.00 50.00 N ATOM 1769 CA ASP A 121 10.247 -15.053 23.710 1.00 50.00 C ATOM 1770 C ASP A 121 10.487 -16.557 23.543 1.00 50.00 C ATOM 1771 O ASP A 121 11.538 -16.983 23.106 1.00 50.00 O ATOM 1772 CB ASP A 121 10.614 -14.609 25.125 1.00 50.00 C ATOM 1773 CG ASP A 121 10.674 -13.082 25.181 1.00 50.00 C ATOM 1774 OD1 ASP A 121 9.704 -12.455 24.788 1.00 50.00 O ATOM 1775 OD2 ASP A 121 11.689 -12.563 25.616 1.00 50.00 O ATOM 0 H ASP A 121 8.352 -14.355 24.405 1.00 50.00 H new ATOM 0 HA ASP A 121 10.848 -14.548 22.954 1.00 50.00 H new ATOM 0 HB2 ASP A 121 9.877 -14.981 25.837 1.00 50.00 H new ATOM 0 HB3 ASP A 121 11.577 -15.032 25.412 1.00 50.00 H new ATOM 1780 N TYR A 122 9.519 -17.362 23.889 1.00 16.66 N ATOM 1781 CA TYR A 122 9.692 -18.837 23.755 1.00 16.66 C ATOM 1782 C TYR A 122 9.891 -19.216 22.285 1.00 16.66 C ATOM 1783 O TYR A 122 10.670 -20.088 21.957 1.00 16.66 O ATOM 1784 CB TYR A 122 8.392 -19.437 24.292 1.00 16.66 C ATOM 1785 CG TYR A 122 8.692 -20.737 24.999 1.00 16.66 C ATOM 1786 CD1 TYR A 122 9.110 -21.851 24.262 1.00 16.66 C ATOM 1787 CD2 TYR A 122 8.551 -20.829 26.388 1.00 16.66 C ATOM 1788 CE1 TYR A 122 9.388 -23.059 24.915 1.00 16.66 C ATOM 1789 CE2 TYR A 122 8.828 -22.036 27.042 1.00 16.66 C ATOM 1790 CZ TYR A 122 9.247 -23.151 26.304 1.00 16.66 C ATOM 1791 OH TYR A 122 9.520 -24.341 26.947 1.00 16.66 O ATOM 0 H TYR A 122 8.617 -17.062 24.258 1.00 16.66 H new ATOM 0 HA TYR A 122 10.565 -19.202 24.297 1.00 16.66 H new ATOM 0 HB2 TYR A 122 7.913 -18.739 24.979 1.00 16.66 H new ATOM 0 HB3 TYR A 122 7.693 -19.609 23.474 1.00 16.66 H new ATOM 0 HD1 TYR A 122 9.218 -21.779 23.190 1.00 16.66 H new ATOM 0 HD2 TYR A 122 8.228 -19.969 26.956 1.00 16.66 H new ATOM 0 HE1 TYR A 122 9.711 -23.919 24.347 1.00 16.66 H new ATOM 0 HE2 TYR A 122 8.719 -22.107 28.114 1.00 16.66 H new ATOM 0 HH TYR A 122 9.373 -24.234 27.910 1.00 16.66 H new ATOM 1801 N LEU A 123 9.191 -18.566 21.399 1.00 50.00 N ATOM 1802 CA LEU A 123 9.338 -18.884 19.949 1.00 50.00 C ATOM 1803 C LEU A 123 10.301 -17.894 19.288 1.00 50.00 C ATOM 1804 O LEU A 123 10.777 -18.113 18.191 1.00 50.00 O ATOM 1805 CB LEU A 123 7.932 -18.729 19.367 1.00 50.00 C ATOM 1806 CG LEU A 123 7.255 -20.100 19.286 1.00 50.00 C ATOM 1807 CD1 LEU A 123 5.782 -19.921 18.914 1.00 50.00 C ATOM 1808 CD2 LEU A 123 7.950 -20.949 18.219 1.00 50.00 C ATOM 0 H LEU A 123 8.522 -17.827 21.615 1.00 50.00 H new ATOM 0 HA LEU A 123 9.742 -19.883 19.783 1.00 50.00 H new ATOM 0 HB2 LEU A 123 7.342 -18.057 19.990 1.00 50.00 H new ATOM 0 HB3 LEU A 123 7.986 -18.280 18.375 1.00 50.00 H new ATOM 0 HG LEU A 123 7.328 -20.598 20.253 1.00 50.00 H new ATOM 0 HD11 LEU A 123 5.300 -20.897 18.856 1.00 50.00 H new ATOM 0 HD12 LEU A 123 5.286 -19.316 19.673 1.00 50.00 H new ATOM 0 HD13 LEU A 123 5.709 -19.423 17.947 1.00 50.00 H new ATOM 0 HD21 LEU A 123 7.469 -21.925 18.161 1.00 50.00 H new ATOM 0 HD22 LEU A 123 7.877 -20.450 17.253 1.00 50.00 H new ATOM 0 HD23 LEU A 123 9.000 -21.077 18.483 1.00 50.00 H new ATOM 1820 N GLN A 124 10.589 -16.806 19.948 1.00 50.00 N ATOM 1821 CA GLN A 124 11.519 -15.796 19.362 1.00 50.00 C ATOM 1822 C GLN A 124 12.778 -16.478 18.820 1.00 50.00 C ATOM 1823 O GLN A 124 13.441 -15.964 17.941 1.00 50.00 O ATOM 1824 CB GLN A 124 11.870 -14.864 20.521 1.00 50.00 C ATOM 1825 CG GLN A 124 12.392 -13.536 19.969 1.00 50.00 C ATOM 1826 CD GLN A 124 11.226 -12.732 19.391 1.00 50.00 C ATOM 1827 OE1 GLN A 124 10.686 -13.078 18.359 1.00 50.00 O ATOM 1828 NE2 GLN A 124 10.813 -11.663 20.016 1.00 50.00 N ATOM 0 H GLN A 124 10.220 -16.571 20.870 1.00 50.00 H new ATOM 0 HA GLN A 124 11.069 -15.259 18.527 1.00 50.00 H new ATOM 0 HB2 GLN A 124 10.991 -14.691 21.142 1.00 50.00 H new ATOM 0 HB3 GLN A 124 12.624 -15.327 21.158 1.00 50.00 H new ATOM 0 HG2 GLN A 124 12.883 -12.969 20.760 1.00 50.00 H new ATOM 0 HG3 GLN A 124 13.140 -13.719 19.197 1.00 50.00 H new ATOM 0 HE21 GLN A 124 11.266 -11.372 20.882 1.00 50.00 H new ATOM 0 HE22 GLN A 124 10.037 -11.119 19.638 1.00 50.00 H new ATOM 1837 N ASN A 125 13.116 -17.627 19.336 1.00 50.00 N ATOM 1838 CA ASN A 125 14.337 -18.333 18.848 1.00 50.00 C ATOM 1839 C ASN A 125 14.127 -18.828 17.414 1.00 50.00 C ATOM 1840 O ASN A 125 15.055 -19.253 16.752 1.00 50.00 O ATOM 1841 CB ASN A 125 14.522 -19.512 19.801 1.00 50.00 C ATOM 1842 CG ASN A 125 13.304 -20.434 19.713 1.00 50.00 C ATOM 1843 OD1 ASN A 125 12.192 -20.015 19.965 1.00 50.00 O ATOM 1844 ND2 ASN A 125 13.468 -21.681 19.365 1.00 50.00 N ATOM 0 H ASN A 125 12.601 -18.108 20.073 1.00 50.00 H new ATOM 0 HA ASN A 125 15.211 -17.681 18.833 1.00 50.00 H new ATOM 0 HB2 ASN A 125 15.427 -20.062 19.545 1.00 50.00 H new ATOM 0 HB3 ASN A 125 14.646 -19.152 20.822 1.00 50.00 H new ATOM 0 HD21 ASN A 125 12.662 -22.304 19.305 1.00 50.00 H new ATOM 0 HD22 ASN A 125 14.402 -22.033 19.153 1.00 50.00 H new ATOM 1851 N ARG A 126 12.917 -18.778 16.929 1.00 50.00 N ATOM 1852 CA ARG A 126 12.650 -19.247 15.538 1.00 50.00 C ATOM 1853 C ARG A 126 12.280 -18.061 14.642 1.00 50.00 C ATOM 1854 O ARG A 126 12.141 -18.197 13.443 1.00 50.00 O ATOM 1855 CB ARG A 126 11.472 -20.213 15.666 1.00 50.00 C ATOM 1856 CG ARG A 126 11.989 -21.653 15.657 1.00 50.00 C ATOM 1857 CD ARG A 126 12.225 -22.102 14.213 1.00 50.00 C ATOM 1858 NE ARG A 126 13.171 -23.249 14.319 1.00 50.00 N ATOM 1859 CZ ARG A 126 13.795 -23.681 13.257 1.00 50.00 C ATOM 1860 NH1 ARG A 126 15.010 -23.276 13.005 1.00 50.00 N ATOM 1861 NH2 ARG A 126 13.204 -24.515 12.447 1.00 50.00 N ATOM 0 H ARG A 126 12.101 -18.433 17.435 1.00 50.00 H new ATOM 0 HA ARG A 126 13.520 -19.724 15.088 1.00 50.00 H new ATOM 0 HB2 ARG A 126 10.926 -20.017 16.589 1.00 50.00 H new ATOM 0 HB3 ARG A 126 10.773 -20.061 14.844 1.00 50.00 H new ATOM 0 HG2 ARG A 126 12.916 -21.721 16.226 1.00 50.00 H new ATOM 0 HG3 ARG A 126 11.268 -22.312 16.141 1.00 50.00 H new ATOM 0 HD2 ARG A 126 11.292 -22.402 13.735 1.00 50.00 H new ATOM 0 HD3 ARG A 126 12.647 -21.296 13.612 1.00 50.00 H new ATOM 0 HE ARG A 126 13.331 -23.696 15.222 1.00 50.00 H new ATOM 0 HH11 ARG A 126 15.471 -22.622 13.638 1.00 50.00 H new ATOM 0 HH12 ARG A 126 15.498 -23.613 12.175 1.00 50.00 H new ATOM 0 HH21 ARG A 126 12.254 -24.830 12.643 1.00 50.00 H new ATOM 0 HH22 ARG A 126 13.692 -24.852 11.617 1.00 50.00 H new ATOM 1875 N VAL A 127 12.119 -16.900 15.214 1.00 50.00 N ATOM 1876 CA VAL A 127 11.758 -15.708 14.393 1.00 50.00 C ATOM 1877 C VAL A 127 12.724 -15.567 13.216 1.00 50.00 C ATOM 1878 O VAL A 127 13.924 -15.486 13.393 1.00 50.00 O ATOM 1879 CB VAL A 127 11.892 -14.517 15.343 1.00 50.00 C ATOM 1880 CG1 VAL A 127 13.369 -14.296 15.678 1.00 50.00 C ATOM 1881 CG2 VAL A 127 11.330 -13.263 14.670 1.00 50.00 C ATOM 0 H VAL A 127 12.221 -16.724 16.213 1.00 50.00 H new ATOM 0 HA VAL A 127 10.755 -15.783 13.974 1.00 50.00 H new ATOM 0 HB VAL A 127 11.337 -14.718 16.259 1.00 50.00 H new ATOM 0 HG11 VAL A 127 13.465 -13.447 16.355 1.00 50.00 H new ATOM 0 HG12 VAL A 127 13.771 -15.189 16.156 1.00 50.00 H new ATOM 0 HG13 VAL A 127 13.924 -14.094 14.762 1.00 50.00 H new ATOM 0 HG21 VAL A 127 11.425 -12.413 15.346 1.00 50.00 H new ATOM 0 HG22 VAL A 127 11.886 -13.062 13.754 1.00 50.00 H new ATOM 0 HG23 VAL A 127 10.278 -13.419 14.429 1.00 50.00 H new ATOM 1891 N ILE A 128 12.213 -15.538 12.017 1.00 50.00 N ATOM 1892 CA ILE A 128 13.105 -15.402 10.831 1.00 50.00 C ATOM 1893 C ILE A 128 13.300 -13.926 10.480 1.00 50.00 C ATOM 1894 O ILE A 128 12.879 -13.090 11.263 1.00 50.00 O ATOM 1895 CB ILE A 128 12.375 -16.131 9.702 1.00 50.00 C ATOM 1896 CG1 ILE A 128 13.315 -16.288 8.505 1.00 50.00 C ATOM 1897 CG2 ILE A 128 11.147 -15.322 9.282 1.00 50.00 C ATOM 1898 CD1 ILE A 128 14.630 -16.917 8.967 1.00 50.00 C ATOM 1899 OXT ILE A 128 13.868 -13.656 9.434 1.00 50.00 O ATOM 0 H ILE A 128 11.217 -15.603 11.807 1.00 50.00 H new ATOM 0 HA ILE A 128 14.097 -15.817 11.011 1.00 50.00 H new ATOM 0 HB ILE A 128 12.060 -17.115 10.049 1.00 50.00 H new ATOM 0 HG12 ILE A 128 12.849 -16.913 7.743 1.00 50.00 H new ATOM 0 HG13 ILE A 128 13.505 -15.317 8.049 1.00 50.00 H new ATOM 0 HG21 ILE A 128 10.627 -15.842 8.477 1.00 50.00 H new ATOM 0 HG22 ILE A 128 10.477 -15.209 10.134 1.00 50.00 H new ATOM 0 HG23 ILE A 128 11.461 -14.338 8.935 1.00 50.00 H new ATOM 0 HD11 ILE A 128 15.299 -17.029 8.114 1.00 50.00 H new ATOM 0 HD12 ILE A 128 15.098 -16.275 9.714 1.00 50.00 H new ATOM 0 HD13 ILE A 128 14.432 -17.896 9.403 1.00 50.00 H new TER 1911 ILE A 128 HETATM 1912 FE1 FES A 130 2.825 -23.643 10.184 1.00 0.00 FE HETATM 1913 FE2 FES A 130 0.561 -22.308 10.648 1.00 0.00 FE HETATM 1914 S1 FES A 130 2.184 -21.719 9.205 1.00 0.00 S HETATM 1915 S2 FES A 130 1.244 -24.181 11.693 1.00 0.00 S