USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 836 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 ASN : amide:sc= 1.03 K(o=1.3,f=0.72) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.284 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.262 X(o=-0.062,f=0.096) USER MOD Set 2.2: A 39 THR OG1 : rot -150:sc= 0.2 USER MOD Set 3.1: A 16 SER OG : rot 130:sc= 0.159 USER MOD Set 3.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -110:sc= 0.0476 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0343 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 23 TYR OH : rot 9:sc= 0.64 USER MOD Single : A 27 SER OG : rot -23:sc= 0.0586 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -157:sc= 0.763 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 37 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.33) USER MOD Single : A 45 SER OG : rot 160:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0143 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -154:sc= 0.985 (180deg=0.564) USER MOD Single : A 76 THR OG1 : rot 131:sc= 1.3 USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 84 THR OG1 : rot 65:sc= 1.23 USER MOD Single : A 89 ASN : amide:sc= 0.191 X(o=0.19,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc=-0.000222 X(o=-0.00022,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.661 -1.991 -2.794 1.00 0.00 N ATOM 2 CA ALA A 1 -2.543 -2.569 -3.593 1.00 0.00 C ATOM 3 C ALA A 1 -1.539 -3.325 -2.703 1.00 0.00 C ATOM 4 O ALA A 1 -1.469 -3.090 -1.495 1.00 0.00 O ATOM 5 CB ALA A 1 -1.835 -1.483 -4.432 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.540 -2.507 -3.002 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.443 -2.074 -1.781 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.782 -0.988 -3.041 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.978 -3.293 -4.282 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.025 -1.935 -5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.551 -1.027 -5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.429 -0.719 -3.770 1.00 0.00 H new ATOM 13 N VAL A 2 -0.751 -4.236 -3.293 1.00 0.00 N ATOM 14 CA VAL A 2 0.309 -5.015 -2.616 1.00 0.00 C ATOM 15 C VAL A 2 1.487 -5.282 -3.564 1.00 0.00 C ATOM 16 O VAL A 2 1.295 -5.508 -4.761 1.00 0.00 O ATOM 17 CB VAL A 2 -0.270 -6.318 -2.016 1.00 0.00 C ATOM 18 CG1 VAL A 2 -0.834 -7.290 -3.061 1.00 0.00 C ATOM 19 CG2 VAL A 2 0.746 -7.068 -1.150 1.00 0.00 C ATOM 0 H VAL A 2 -0.832 -4.461 -4.284 1.00 0.00 H new ATOM 0 HA VAL A 2 0.699 -4.424 -1.787 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.096 -5.972 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.220 -8.178 -2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.639 -6.805 -3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.043 -7.579 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 2 0.288 -7.974 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 2 1.613 -7.334 -1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 2 1.061 -6.430 -0.324 1.00 0.00 H new ATOM 29 N GLU A 3 2.711 -5.248 -3.039 1.00 0.00 N ATOM 30 CA GLU A 3 3.945 -5.556 -3.772 1.00 0.00 C ATOM 31 C GLU A 3 4.255 -7.068 -3.772 1.00 0.00 C ATOM 32 O GLU A 3 4.179 -7.735 -2.736 1.00 0.00 O ATOM 33 CB GLU A 3 5.130 -4.706 -3.267 1.00 0.00 C ATOM 34 CG GLU A 3 5.474 -4.792 -1.769 1.00 0.00 C ATOM 35 CD GLU A 3 4.523 -3.951 -0.891 1.00 0.00 C ATOM 36 OE1 GLU A 3 3.485 -4.481 -0.424 1.00 0.00 O ATOM 37 OE2 GLU A 3 4.808 -2.750 -0.659 1.00 0.00 O ATOM 0 H GLU A 3 2.880 -4.999 -2.064 1.00 0.00 H new ATOM 0 HA GLU A 3 3.784 -5.280 -4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 3 6.016 -4.993 -3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.923 -3.663 -3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.431 -5.833 -1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.499 -4.453 -1.616 1.00 0.00 H new ATOM 44 N VAL A 4 4.598 -7.616 -4.947 1.00 0.00 N ATOM 45 CA VAL A 4 4.857 -9.053 -5.175 1.00 0.00 C ATOM 46 C VAL A 4 6.028 -9.209 -6.156 1.00 0.00 C ATOM 47 O VAL A 4 6.216 -8.372 -7.040 1.00 0.00 O ATOM 48 CB VAL A 4 3.585 -9.768 -5.705 1.00 0.00 C ATOM 49 CG1 VAL A 4 3.765 -11.291 -5.799 1.00 0.00 C ATOM 50 CG2 VAL A 4 2.348 -9.534 -4.822 1.00 0.00 C ATOM 0 H VAL A 4 4.707 -7.058 -5.794 1.00 0.00 H new ATOM 0 HA VAL A 4 5.123 -9.523 -4.228 1.00 0.00 H new ATOM 0 HB VAL A 4 3.432 -9.331 -6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.847 -11.743 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.586 -11.519 -6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.989 -11.693 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.493 -10.060 -5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.542 -9.909 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.131 -8.467 -4.775 1.00 0.00 H new ATOM 60 N GLU A 5 6.806 -10.289 -6.037 1.00 0.00 N ATOM 61 CA GLU A 5 7.972 -10.607 -6.887 1.00 0.00 C ATOM 62 C GLU A 5 7.562 -11.134 -8.286 1.00 0.00 C ATOM 63 O GLU A 5 7.955 -12.224 -8.714 1.00 0.00 O ATOM 64 CB GLU A 5 8.913 -11.573 -6.139 1.00 0.00 C ATOM 65 CG GLU A 5 9.489 -10.975 -4.848 1.00 0.00 C ATOM 66 CD GLU A 5 10.426 -11.981 -4.153 1.00 0.00 C ATOM 67 OE1 GLU A 5 9.950 -12.769 -3.297 1.00 0.00 O ATOM 68 OE2 GLU A 5 11.644 -11.995 -4.452 1.00 0.00 O ATOM 0 H GLU A 5 6.640 -10.996 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 5 8.517 -9.683 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.369 -12.486 -5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.733 -11.855 -6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.035 -10.060 -5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.677 -10.701 -4.174 1.00 0.00 H new ATOM 75 N VAL A 6 6.724 -10.366 -8.992 1.00 0.00 N ATOM 76 CA VAL A 6 6.163 -10.697 -10.315 1.00 0.00 C ATOM 77 C VAL A 6 7.192 -10.547 -11.455 1.00 0.00 C ATOM 78 O VAL A 6 7.409 -11.536 -12.165 1.00 0.00 O ATOM 79 CB VAL A 6 4.851 -9.916 -10.556 1.00 0.00 C ATOM 80 CG1 VAL A 6 4.366 -9.962 -12.011 1.00 0.00 C ATOM 81 CG2 VAL A 6 3.732 -10.494 -9.683 1.00 0.00 C ATOM 0 H VAL A 6 6.403 -9.461 -8.648 1.00 0.00 H new ATOM 0 HA VAL A 6 5.909 -11.757 -10.318 1.00 0.00 H new ATOM 0 HB VAL A 6 5.075 -8.880 -10.303 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.441 -9.393 -12.104 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.126 -9.529 -12.662 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.186 -10.997 -12.302 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.810 -9.939 -9.858 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.578 -11.543 -9.937 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.011 -10.412 -8.632 1.00 0.00 H new ATOM 91 N PRO A 7 7.850 -9.383 -11.664 1.00 0.00 N ATOM 92 CA PRO A 7 8.875 -9.234 -12.700 1.00 0.00 C ATOM 93 C PRO A 7 10.250 -9.767 -12.259 1.00 0.00 C ATOM 94 O PRO A 7 10.490 -10.076 -11.088 1.00 0.00 O ATOM 95 CB PRO A 7 8.943 -7.731 -12.983 1.00 0.00 C ATOM 96 CG PRO A 7 8.678 -7.140 -11.598 1.00 0.00 C ATOM 97 CD PRO A 7 7.634 -8.094 -11.011 1.00 0.00 C ATOM 0 HA PRO A 7 8.615 -9.817 -13.583 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.915 -7.432 -13.376 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.195 -7.418 -13.711 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.583 -7.110 -10.992 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.302 -6.119 -11.660 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.749 -8.180 -9.931 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.624 -7.728 -11.196 1.00 0.00 H new ATOM 105 N GLY A 8 11.177 -9.807 -13.219 1.00 0.00 N ATOM 106 CA GLY A 8 12.606 -10.079 -13.008 1.00 0.00 C ATOM 107 C GLY A 8 13.209 -10.955 -14.109 1.00 0.00 C ATOM 108 O GLY A 8 12.607 -11.953 -14.511 1.00 0.00 O ATOM 0 H GLY A 8 10.948 -9.646 -14.200 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.149 -9.135 -12.963 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.740 -10.570 -12.044 1.00 0.00 H new ATOM 112 N LEU A 9 14.406 -10.588 -14.592 1.00 0.00 N ATOM 113 CA LEU A 9 15.188 -11.378 -15.559 1.00 0.00 C ATOM 114 C LEU A 9 16.687 -11.485 -15.197 1.00 0.00 C ATOM 115 O LEU A 9 17.545 -11.526 -16.078 1.00 0.00 O ATOM 116 CB LEU A 9 14.873 -10.965 -17.017 1.00 0.00 C ATOM 117 CG LEU A 9 15.544 -9.710 -17.613 1.00 0.00 C ATOM 118 CD1 LEU A 9 15.025 -9.494 -19.033 1.00 0.00 C ATOM 119 CD2 LEU A 9 15.242 -8.449 -16.833 1.00 0.00 C ATOM 0 H LEU A 9 14.866 -9.720 -14.318 1.00 0.00 H new ATOM 0 HA LEU A 9 14.856 -12.414 -15.486 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.130 -11.808 -17.658 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.795 -10.825 -17.091 1.00 0.00 H new ATOM 0 HG LEU A 9 16.619 -9.888 -17.582 1.00 0.00 H new ATOM 0 HD11 LEU A 9 15.495 -8.609 -19.461 1.00 0.00 H new ATOM 0 HD12 LEU A 9 15.265 -10.364 -19.644 1.00 0.00 H new ATOM 0 HD13 LEU A 9 13.944 -9.355 -19.008 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.742 -7.602 -17.302 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.166 -8.275 -16.824 1.00 0.00 H new ATOM 0 HD23 LEU A 9 15.600 -8.560 -15.809 1.00 0.00 H new ATOM 131 N LEU A 10 17.006 -11.532 -13.893 1.00 0.00 N ATOM 132 CA LEU A 10 18.381 -11.722 -13.411 1.00 0.00 C ATOM 133 C LEU A 10 18.929 -13.060 -13.920 1.00 0.00 C ATOM 134 O LEU A 10 18.518 -14.122 -13.445 1.00 0.00 O ATOM 135 CB LEU A 10 18.446 -11.686 -11.866 1.00 0.00 C ATOM 136 CG LEU A 10 18.467 -10.271 -11.272 1.00 0.00 C ATOM 137 CD1 LEU A 10 17.849 -10.254 -9.874 1.00 0.00 C ATOM 138 CD2 LEU A 10 19.895 -9.740 -11.134 1.00 0.00 C ATOM 0 H LEU A 10 16.318 -11.439 -13.146 1.00 0.00 H new ATOM 0 HA LEU A 10 18.990 -10.904 -13.796 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.587 -12.224 -11.464 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.338 -12.219 -11.538 1.00 0.00 H new ATOM 0 HG LEU A 10 17.895 -9.646 -11.957 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.877 -9.240 -9.476 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.815 -10.594 -9.929 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.414 -10.916 -9.218 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.871 -8.736 -10.710 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.466 -10.397 -10.478 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.368 -9.708 -12.116 1.00 0.00 H new ATOM 150 N THR A 11 19.902 -13.002 -14.827 1.00 0.00 N ATOM 151 CA THR A 11 20.593 -14.184 -15.354 1.00 0.00 C ATOM 152 C THR A 11 22.044 -14.216 -14.888 1.00 0.00 C ATOM 153 O THR A 11 22.736 -13.198 -14.849 1.00 0.00 O ATOM 154 CB THR A 11 20.481 -14.264 -16.886 1.00 0.00 C ATOM 155 OG1 THR A 11 19.121 -14.437 -17.245 1.00 0.00 O ATOM 156 CG2 THR A 11 21.248 -15.449 -17.477 1.00 0.00 C ATOM 0 H THR A 11 20.239 -12.125 -15.223 1.00 0.00 H new ATOM 0 HA THR A 11 20.100 -15.070 -14.954 1.00 0.00 H new ATOM 0 HB THR A 11 20.904 -13.338 -17.277 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.044 -14.487 -18.221 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.132 -15.453 -18.561 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.305 -15.360 -17.225 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.854 -16.379 -17.066 1.00 0.00 H new ATOM 164 N ASP A 12 22.508 -15.412 -14.537 1.00 0.00 N ATOM 165 CA ASP A 12 23.895 -15.752 -14.234 1.00 0.00 C ATOM 166 C ASP A 12 24.773 -15.777 -15.505 1.00 0.00 C ATOM 167 O ASP A 12 25.387 -16.790 -15.850 1.00 0.00 O ATOM 168 CB ASP A 12 23.932 -17.067 -13.432 1.00 0.00 C ATOM 169 CG ASP A 12 23.382 -18.295 -14.191 1.00 0.00 C ATOM 170 OD1 ASP A 12 24.071 -19.344 -14.231 1.00 0.00 O ATOM 171 OD2 ASP A 12 22.231 -18.245 -14.693 1.00 0.00 O ATOM 0 H ASP A 12 21.889 -16.218 -14.451 1.00 0.00 H new ATOM 0 HA ASP A 12 24.333 -14.973 -13.610 1.00 0.00 H new ATOM 0 HB2 ASP A 12 24.962 -17.269 -13.137 1.00 0.00 H new ATOM 0 HB3 ASP A 12 23.358 -16.935 -12.515 1.00 0.00 H new ATOM 176 N HIS A 13 24.862 -14.639 -16.208 1.00 0.00 N ATOM 177 CA HIS A 13 25.785 -14.424 -17.336 1.00 0.00 C ATOM 178 C HIS A 13 27.210 -14.145 -16.815 1.00 0.00 C ATOM 179 O HIS A 13 27.886 -13.200 -17.228 1.00 0.00 O ATOM 180 CB HIS A 13 25.239 -13.339 -18.288 1.00 0.00 C ATOM 181 CG HIS A 13 24.077 -13.755 -19.160 1.00 0.00 C ATOM 182 ND1 HIS A 13 22.930 -12.988 -19.398 1.00 0.00 N ATOM 183 CD2 HIS A 13 24.023 -14.877 -19.936 1.00 0.00 C ATOM 184 CE1 HIS A 13 22.213 -13.669 -20.309 1.00 0.00 C ATOM 185 NE2 HIS A 13 22.842 -14.809 -20.645 1.00 0.00 N ATOM 0 H HIS A 13 24.283 -13.824 -16.006 1.00 0.00 H new ATOM 0 HA HIS A 13 25.855 -15.332 -17.935 1.00 0.00 H new ATOM 0 HB2 HIS A 13 24.932 -12.480 -17.692 1.00 0.00 H new ATOM 0 HB3 HIS A 13 26.052 -13.005 -18.933 1.00 0.00 H new ATOM 0 HD2 HIS A 13 24.761 -15.664 -19.985 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.265 -13.346 -20.714 1.00 0.00 H new ATOM 0 HE2 HIS A 13 22.504 -15.504 -21.310 1.00 0.00 H new ATOM 193 N THR A 14 27.654 -14.958 -15.853 1.00 0.00 N ATOM 194 CA THR A 14 28.889 -14.772 -15.090 1.00 0.00 C ATOM 195 C THR A 14 29.694 -16.077 -14.964 1.00 0.00 C ATOM 196 O THR A 14 29.130 -17.133 -14.666 1.00 0.00 O ATOM 197 CB THR A 14 28.610 -14.139 -13.713 1.00 0.00 C ATOM 198 OG1 THR A 14 27.732 -14.934 -12.951 1.00 0.00 O ATOM 199 CG2 THR A 14 27.950 -12.762 -13.776 1.00 0.00 C ATOM 0 H THR A 14 27.143 -15.796 -15.574 1.00 0.00 H new ATOM 0 HA THR A 14 29.509 -14.074 -15.652 1.00 0.00 H new ATOM 0 HB THR A 14 29.601 -14.055 -13.267 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.575 -14.508 -12.083 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.789 -12.389 -12.765 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.597 -12.073 -14.318 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.992 -12.841 -14.290 1.00 0.00 H new ATOM 207 N VAL A 15 31.013 -16.027 -15.221 1.00 0.00 N ATOM 208 CA VAL A 15 31.895 -17.218 -15.378 1.00 0.00 C ATOM 209 C VAL A 15 33.219 -17.135 -14.590 1.00 0.00 C ATOM 210 O VAL A 15 34.249 -17.678 -14.996 1.00 0.00 O ATOM 211 CB VAL A 15 32.120 -17.577 -16.868 1.00 0.00 C ATOM 212 CG1 VAL A 15 30.788 -17.957 -17.521 1.00 0.00 C ATOM 213 CG2 VAL A 15 32.763 -16.475 -17.716 1.00 0.00 C ATOM 0 H VAL A 15 31.514 -15.145 -15.329 1.00 0.00 H new ATOM 0 HA VAL A 15 31.349 -18.042 -14.919 1.00 0.00 H new ATOM 0 HB VAL A 15 32.824 -18.409 -16.847 1.00 0.00 H new ATOM 0 HG11 VAL A 15 30.955 -18.208 -18.569 1.00 0.00 H new ATOM 0 HG12 VAL A 15 30.362 -18.818 -17.005 1.00 0.00 H new ATOM 0 HG13 VAL A 15 30.097 -17.116 -17.455 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.877 -16.825 -18.742 1.00 0.00 H new ATOM 0 HG22 VAL A 15 32.128 -15.589 -17.704 1.00 0.00 H new ATOM 0 HG23 VAL A 15 33.742 -16.225 -17.307 1.00 0.00 H new ATOM 223 N SER A 16 33.174 -16.478 -13.427 1.00 0.00 N ATOM 224 CA SER A 16 34.333 -16.189 -12.559 1.00 0.00 C ATOM 225 C SER A 16 34.142 -16.732 -11.138 1.00 0.00 C ATOM 226 O SER A 16 33.024 -16.742 -10.627 1.00 0.00 O ATOM 227 CB SER A 16 34.580 -14.676 -12.554 1.00 0.00 C ATOM 228 OG SER A 16 35.246 -14.265 -11.372 1.00 0.00 O ATOM 0 H SER A 16 32.300 -16.117 -13.045 1.00 0.00 H new ATOM 0 HA SER A 16 35.208 -16.700 -12.959 1.00 0.00 H new ATOM 0 HB2 SER A 16 35.176 -14.400 -13.424 1.00 0.00 H new ATOM 0 HB3 SER A 16 33.629 -14.150 -12.639 1.00 0.00 H new ATOM 0 HG SER A 16 36.019 -13.711 -11.608 1.00 0.00 H new ATOM 234 N SER A 17 35.231 -17.106 -10.456 1.00 0.00 N ATOM 235 CA SER A 17 35.208 -17.603 -9.066 1.00 0.00 C ATOM 236 C SER A 17 34.617 -16.595 -8.064 1.00 0.00 C ATOM 237 O SER A 17 34.019 -17.001 -7.068 1.00 0.00 O ATOM 238 CB SER A 17 36.628 -17.978 -8.620 1.00 0.00 C ATOM 239 OG SER A 17 37.207 -18.911 -9.524 1.00 0.00 O ATOM 0 H SER A 17 36.169 -17.073 -10.856 1.00 0.00 H new ATOM 0 HA SER A 17 34.557 -18.477 -9.066 1.00 0.00 H new ATOM 0 HB2 SER A 17 37.247 -17.082 -8.568 1.00 0.00 H new ATOM 0 HB3 SER A 17 36.599 -18.405 -7.617 1.00 0.00 H new ATOM 0 HG SER A 17 38.112 -19.137 -9.225 1.00 0.00 H new ATOM 245 N ILE A 18 34.744 -15.288 -8.341 1.00 0.00 N ATOM 246 CA ILE A 18 34.025 -14.199 -7.644 1.00 0.00 C ATOM 247 C ILE A 18 32.763 -13.762 -8.401 1.00 0.00 C ATOM 248 O ILE A 18 31.715 -13.585 -7.785 1.00 0.00 O ATOM 249 CB ILE A 18 34.951 -12.988 -7.347 1.00 0.00 C ATOM 250 CG1 ILE A 18 36.054 -12.833 -8.415 1.00 0.00 C ATOM 251 CG2 ILE A 18 35.552 -13.129 -5.940 1.00 0.00 C ATOM 252 CD1 ILE A 18 36.800 -11.509 -8.450 1.00 0.00 C ATOM 0 H ILE A 18 35.365 -14.946 -9.074 1.00 0.00 H new ATOM 0 HA ILE A 18 33.702 -14.606 -6.686 1.00 0.00 H new ATOM 0 HB ILE A 18 34.350 -12.079 -7.385 1.00 0.00 H new ATOM 0 HG12 ILE A 18 36.784 -13.629 -8.266 1.00 0.00 H new ATOM 0 HG13 ILE A 18 35.602 -12.993 -9.394 1.00 0.00 H new ATOM 0 HG21 ILE A 18 36.201 -12.278 -5.735 1.00 0.00 H new ATOM 0 HG22 ILE A 18 34.750 -13.159 -5.203 1.00 0.00 H new ATOM 0 HG23 ILE A 18 36.132 -14.050 -5.883 1.00 0.00 H new ATOM 0 HD11 ILE A 18 37.546 -11.533 -9.245 1.00 0.00 H new ATOM 0 HD12 ILE A 18 36.095 -10.699 -8.638 1.00 0.00 H new ATOM 0 HD13 ILE A 18 37.295 -11.345 -7.493 1.00 0.00 H new ATOM 264 N GLY A 19 32.805 -13.610 -9.729 1.00 0.00 N ATOM 265 CA GLY A 19 31.660 -13.076 -10.491 1.00 0.00 C ATOM 266 C GLY A 19 30.429 -13.991 -10.519 1.00 0.00 C ATOM 267 O GLY A 19 29.303 -13.502 -10.585 1.00 0.00 O ATOM 0 H GLY A 19 33.615 -13.847 -10.302 1.00 0.00 H new ATOM 0 HA2 GLY A 19 31.373 -12.115 -10.064 1.00 0.00 H new ATOM 0 HA3 GLY A 19 31.979 -12.887 -11.516 1.00 0.00 H new ATOM 271 N HIS A 20 30.611 -15.309 -10.392 1.00 0.00 N ATOM 272 CA HIS A 20 29.513 -16.268 -10.207 1.00 0.00 C ATOM 273 C HIS A 20 28.827 -16.074 -8.847 1.00 0.00 C ATOM 274 O HIS A 20 27.602 -16.070 -8.760 1.00 0.00 O ATOM 275 CB HIS A 20 30.046 -17.701 -10.363 1.00 0.00 C ATOM 276 CG HIS A 20 29.004 -18.796 -10.255 1.00 0.00 C ATOM 277 ND1 HIS A 20 29.276 -20.138 -9.965 1.00 0.00 N ATOM 278 CD2 HIS A 20 27.659 -18.655 -10.440 1.00 0.00 C ATOM 279 CE1 HIS A 20 28.088 -20.768 -9.979 1.00 0.00 C ATOM 280 NE2 HIS A 20 27.099 -19.901 -10.260 1.00 0.00 N ATOM 0 H HIS A 20 31.532 -15.746 -10.415 1.00 0.00 H new ATOM 0 HA HIS A 20 28.759 -16.089 -10.974 1.00 0.00 H new ATOM 0 HB2 HIS A 20 30.537 -17.784 -11.332 1.00 0.00 H new ATOM 0 HB3 HIS A 20 30.809 -17.872 -9.603 1.00 0.00 H new ATOM 0 HD2 HIS A 20 27.135 -17.742 -10.681 1.00 0.00 H new ATOM 0 HE1 HIS A 20 27.948 -21.822 -9.791 1.00 0.00 H new ATOM 0 HE2 HIS A 20 26.107 -20.127 -10.328 1.00 0.00 H new ATOM 288 N ASP A 21 29.596 -15.818 -7.789 1.00 0.00 N ATOM 289 CA ASP A 21 29.050 -15.551 -6.458 1.00 0.00 C ATOM 290 C ASP A 21 28.409 -14.161 -6.366 1.00 0.00 C ATOM 291 O ASP A 21 27.407 -14.021 -5.666 1.00 0.00 O ATOM 292 CB ASP A 21 30.121 -15.769 -5.382 1.00 0.00 C ATOM 293 CG ASP A 21 30.196 -17.253 -4.981 1.00 0.00 C ATOM 294 OD1 ASP A 21 31.129 -17.968 -5.418 1.00 0.00 O ATOM 295 OD2 ASP A 21 29.312 -17.712 -4.217 1.00 0.00 O ATOM 0 H ASP A 21 30.615 -15.790 -7.830 1.00 0.00 H new ATOM 0 HA ASP A 21 28.247 -16.266 -6.276 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.091 -15.439 -5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.892 -15.162 -4.506 1.00 0.00 H new ATOM 300 N PHE A 22 28.898 -13.149 -7.104 1.00 0.00 N ATOM 301 CA PHE A 22 28.232 -11.839 -7.188 1.00 0.00 C ATOM 302 C PHE A 22 26.781 -11.985 -7.636 1.00 0.00 C ATOM 303 O PHE A 22 25.911 -11.371 -7.033 1.00 0.00 O ATOM 304 CB PHE A 22 28.976 -10.898 -8.146 1.00 0.00 C ATOM 305 CG PHE A 22 28.392 -9.492 -8.199 1.00 0.00 C ATOM 306 CD1 PHE A 22 27.289 -9.231 -9.033 1.00 0.00 C ATOM 307 CD2 PHE A 22 28.909 -8.453 -7.402 1.00 0.00 C ATOM 308 CE1 PHE A 22 26.711 -7.953 -9.082 1.00 0.00 C ATOM 309 CE2 PHE A 22 28.354 -7.162 -7.471 1.00 0.00 C ATOM 310 CZ PHE A 22 27.257 -6.913 -8.313 1.00 0.00 C ATOM 0 H PHE A 22 29.755 -13.215 -7.652 1.00 0.00 H new ATOM 0 HA PHE A 22 28.248 -11.406 -6.188 1.00 0.00 H new ATOM 0 HB2 PHE A 22 30.021 -10.837 -7.842 1.00 0.00 H new ATOM 0 HB3 PHE A 22 28.960 -11.327 -9.148 1.00 0.00 H new ATOM 0 HD1 PHE A 22 26.882 -10.024 -9.643 1.00 0.00 H new ATOM 0 HD2 PHE A 22 29.735 -8.648 -6.735 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.850 -7.770 -9.708 1.00 0.00 H new ATOM 0 HE2 PHE A 22 28.771 -6.362 -6.877 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.834 -5.921 -8.369 1.00 0.00 H new ATOM 320 N TYR A 23 26.503 -12.827 -8.639 1.00 0.00 N ATOM 321 CA TYR A 23 25.129 -13.099 -9.081 1.00 0.00 C ATOM 322 C TYR A 23 24.238 -13.552 -7.911 1.00 0.00 C ATOM 323 O TYR A 23 23.198 -12.944 -7.651 1.00 0.00 O ATOM 324 CB TYR A 23 25.127 -14.143 -10.209 1.00 0.00 C ATOM 325 CG TYR A 23 23.732 -14.601 -10.578 1.00 0.00 C ATOM 326 CD1 TYR A 23 22.926 -13.804 -11.408 1.00 0.00 C ATOM 327 CD2 TYR A 23 23.215 -15.789 -10.026 1.00 0.00 C ATOM 328 CE1 TYR A 23 21.591 -14.173 -11.657 1.00 0.00 C ATOM 329 CE2 TYR A 23 21.887 -16.172 -10.289 1.00 0.00 C ATOM 330 CZ TYR A 23 21.067 -15.365 -11.105 1.00 0.00 C ATOM 331 OH TYR A 23 19.786 -15.752 -11.359 1.00 0.00 O ATOM 0 H TYR A 23 27.216 -13.335 -9.163 1.00 0.00 H new ATOM 0 HA TYR A 23 24.710 -12.170 -9.467 1.00 0.00 H new ATOM 0 HB2 TYR A 23 25.612 -13.721 -11.090 1.00 0.00 H new ATOM 0 HB3 TYR A 23 25.719 -15.005 -9.902 1.00 0.00 H new ATOM 0 HD1 TYR A 23 23.331 -12.908 -11.855 1.00 0.00 H new ATOM 0 HD2 TYR A 23 23.840 -16.408 -9.399 1.00 0.00 H new ATOM 0 HE1 TYR A 23 20.964 -13.544 -12.272 1.00 0.00 H new ATOM 0 HE2 TYR A 23 21.495 -17.085 -9.866 1.00 0.00 H new ATOM 0 HH TYR A 23 19.404 -15.181 -12.058 1.00 0.00 H new ATOM 341 N ARG A 24 24.686 -14.581 -7.175 1.00 0.00 N ATOM 342 CA ARG A 24 23.929 -15.203 -6.074 1.00 0.00 C ATOM 343 C ARG A 24 23.753 -14.242 -4.895 1.00 0.00 C ATOM 344 O ARG A 24 22.655 -14.090 -4.364 1.00 0.00 O ATOM 345 CB ARG A 24 24.619 -16.503 -5.616 1.00 0.00 C ATOM 346 CG ARG A 24 24.880 -17.484 -6.774 1.00 0.00 C ATOM 347 CD ARG A 24 25.332 -18.868 -6.292 1.00 0.00 C ATOM 348 NE ARG A 24 24.231 -19.619 -5.653 1.00 0.00 N ATOM 349 CZ ARG A 24 24.315 -20.810 -5.083 1.00 0.00 C ATOM 350 NH1 ARG A 24 25.439 -21.467 -5.012 1.00 0.00 N ATOM 351 NH2 ARG A 24 23.257 -21.372 -4.570 1.00 0.00 N ATOM 0 H ARG A 24 25.598 -15.012 -7.329 1.00 0.00 H new ATOM 0 HA ARG A 24 22.935 -15.445 -6.450 1.00 0.00 H new ATOM 0 HB2 ARG A 24 25.566 -16.256 -5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 24 23.999 -16.992 -4.865 1.00 0.00 H new ATOM 0 HG2 ARG A 24 23.971 -17.590 -7.366 1.00 0.00 H new ATOM 0 HG3 ARG A 24 25.642 -17.067 -7.432 1.00 0.00 H new ATOM 0 HD2 ARG A 24 25.717 -19.438 -7.137 1.00 0.00 H new ATOM 0 HD3 ARG A 24 26.153 -18.755 -5.584 1.00 0.00 H new ATOM 0 HE ARG A 24 23.313 -19.174 -5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 24 26.291 -21.065 -5.403 1.00 0.00 H new ATOM 0 HH12 ARG A 24 25.467 -22.383 -4.565 1.00 0.00 H new ATOM 0 HH21 ARG A 24 22.357 -20.893 -4.606 1.00 0.00 H new ATOM 0 HH22 ARG A 24 23.329 -22.290 -4.132 1.00 0.00 H new ATOM 365 N ALA A 25 24.830 -13.555 -4.516 1.00 0.00 N ATOM 366 CA ALA A 25 24.832 -12.586 -3.426 1.00 0.00 C ATOM 367 C ALA A 25 23.993 -11.342 -3.756 1.00 0.00 C ATOM 368 O ALA A 25 23.215 -10.897 -2.917 1.00 0.00 O ATOM 369 CB ALA A 25 26.285 -12.222 -3.111 1.00 0.00 C ATOM 0 H ALA A 25 25.739 -13.659 -4.966 1.00 0.00 H new ATOM 0 HA ALA A 25 24.365 -13.031 -2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 25 26.310 -11.497 -2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 25 26.829 -13.119 -2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 25 26.752 -11.790 -3.996 1.00 0.00 H new ATOM 375 N PHE A 26 24.093 -10.800 -4.972 1.00 0.00 N ATOM 376 CA PHE A 26 23.282 -9.664 -5.406 1.00 0.00 C ATOM 377 C PHE A 26 21.793 -10.028 -5.370 1.00 0.00 C ATOM 378 O PHE A 26 21.013 -9.330 -4.729 1.00 0.00 O ATOM 379 CB PHE A 26 23.749 -9.203 -6.799 1.00 0.00 C ATOM 380 CG PHE A 26 22.975 -8.037 -7.404 1.00 0.00 C ATOM 381 CD1 PHE A 26 21.671 -8.231 -7.901 1.00 0.00 C ATOM 382 CD2 PHE A 26 23.567 -6.762 -7.505 1.00 0.00 C ATOM 383 CE1 PHE A 26 20.954 -7.160 -8.457 1.00 0.00 C ATOM 384 CE2 PHE A 26 22.857 -5.693 -8.087 1.00 0.00 C ATOM 385 CZ PHE A 26 21.545 -5.892 -8.555 1.00 0.00 C ATOM 0 H PHE A 26 24.741 -11.139 -5.684 1.00 0.00 H new ATOM 0 HA PHE A 26 23.414 -8.826 -4.722 1.00 0.00 H new ATOM 0 HB2 PHE A 26 24.800 -8.923 -6.735 1.00 0.00 H new ATOM 0 HB3 PHE A 26 23.686 -10.050 -7.482 1.00 0.00 H new ATOM 0 HD1 PHE A 26 21.220 -9.211 -7.854 1.00 0.00 H new ATOM 0 HD2 PHE A 26 24.569 -6.604 -7.135 1.00 0.00 H new ATOM 0 HE1 PHE A 26 19.945 -7.313 -8.810 1.00 0.00 H new ATOM 0 HE2 PHE A 26 23.320 -4.721 -8.174 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.994 -5.070 -8.989 1.00 0.00 H new ATOM 395 N SER A 27 21.394 -11.141 -5.993 1.00 0.00 N ATOM 396 CA SER A 27 19.981 -11.545 -6.076 1.00 0.00 C ATOM 397 C SER A 27 19.371 -11.892 -4.707 1.00 0.00 C ATOM 398 O SER A 27 18.180 -11.660 -4.493 1.00 0.00 O ATOM 399 CB SER A 27 19.788 -12.702 -7.061 1.00 0.00 C ATOM 400 OG SER A 27 20.354 -13.906 -6.574 1.00 0.00 O ATOM 0 H SER A 27 22.036 -11.787 -6.453 1.00 0.00 H new ATOM 0 HA SER A 27 19.442 -10.674 -6.450 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.724 -12.849 -7.245 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.245 -12.446 -8.017 1.00 0.00 H new ATOM 0 HG SER A 27 21.050 -13.698 -5.917 1.00 0.00 H new ATOM 406 N ASP A 28 20.181 -12.364 -3.750 1.00 0.00 N ATOM 407 CA ASP A 28 19.768 -12.619 -2.367 1.00 0.00 C ATOM 408 C ASP A 28 19.349 -11.344 -1.604 1.00 0.00 C ATOM 409 O ASP A 28 18.457 -11.424 -0.755 1.00 0.00 O ATOM 410 CB ASP A 28 20.906 -13.325 -1.605 1.00 0.00 C ATOM 411 CG ASP A 28 20.926 -14.863 -1.732 1.00 0.00 C ATOM 412 OD1 ASP A 28 21.979 -15.469 -1.411 1.00 0.00 O ATOM 413 OD2 ASP A 28 19.886 -15.490 -2.054 1.00 0.00 O ATOM 0 H ASP A 28 21.162 -12.583 -3.921 1.00 0.00 H new ATOM 0 HA ASP A 28 18.886 -13.257 -2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 28 21.859 -12.934 -1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 28 20.831 -13.064 -0.549 1.00 0.00 H new ATOM 418 N LYS A 29 19.957 -10.178 -1.900 1.00 0.00 N ATOM 419 CA LYS A 29 19.604 -8.876 -1.282 1.00 0.00 C ATOM 420 C LYS A 29 18.947 -7.852 -2.230 1.00 0.00 C ATOM 421 O LYS A 29 18.600 -6.752 -1.798 1.00 0.00 O ATOM 422 CB LYS A 29 20.751 -8.282 -0.423 1.00 0.00 C ATOM 423 CG LYS A 29 22.202 -8.703 -0.732 1.00 0.00 C ATOM 424 CD LYS A 29 22.667 -10.021 -0.081 1.00 0.00 C ATOM 425 CE LYS A 29 22.669 -9.955 1.457 1.00 0.00 C ATOM 426 NZ LYS A 29 23.185 -11.214 2.074 1.00 0.00 N ATOM 0 H LYS A 29 20.714 -10.109 -2.580 1.00 0.00 H new ATOM 0 HA LYS A 29 18.801 -9.123 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 29 20.697 -7.196 -0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 29 20.548 -8.533 0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 29 22.313 -8.794 -1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 29 22.870 -7.904 -0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.014 -10.832 -0.405 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.671 -10.260 -0.432 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.282 -9.115 1.782 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.656 -9.767 1.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.168 -11.125 3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.585 -12.013 1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.161 -11.382 1.756 1.00 0.00 H new ATOM 440 N TRP A 30 18.729 -8.201 -3.497 1.00 0.00 N ATOM 441 CA TRP A 30 18.105 -7.327 -4.497 1.00 0.00 C ATOM 442 C TRP A 30 16.650 -6.952 -4.156 1.00 0.00 C ATOM 443 O TRP A 30 15.821 -7.810 -3.843 1.00 0.00 O ATOM 444 CB TRP A 30 18.183 -7.969 -5.886 1.00 0.00 C ATOM 445 CG TRP A 30 17.537 -7.149 -6.957 1.00 0.00 C ATOM 446 CD1 TRP A 30 16.468 -7.517 -7.697 1.00 0.00 C ATOM 447 CD2 TRP A 30 17.851 -5.781 -7.362 1.00 0.00 C ATOM 448 NE1 TRP A 30 16.104 -6.479 -8.532 1.00 0.00 N ATOM 449 CE2 TRP A 30 16.912 -5.377 -8.354 1.00 0.00 C ATOM 450 CE3 TRP A 30 18.821 -4.834 -6.969 1.00 0.00 C ATOM 451 CZ2 TRP A 30 16.936 -4.101 -8.933 1.00 0.00 C ATOM 452 CZ3 TRP A 30 18.847 -3.547 -7.532 1.00 0.00 C ATOM 453 CH2 TRP A 30 17.912 -3.177 -8.515 1.00 0.00 C ATOM 0 H TRP A 30 18.985 -9.116 -3.867 1.00 0.00 H new ATOM 0 HA TRP A 30 18.671 -6.395 -4.492 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.229 -8.132 -6.145 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.707 -8.949 -5.852 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.974 -8.476 -7.644 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.333 -6.523 -9.198 1.00 0.00 H new ATOM 0 HE3 TRP A 30 19.555 -5.103 -6.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.215 -3.830 -9.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.592 -2.836 -7.207 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.943 -2.188 -8.947 1.00 0.00 H new ATOM 464 N GLU A 31 16.345 -5.655 -4.253 1.00 0.00 N ATOM 465 CA GLU A 31 15.002 -5.073 -4.167 1.00 0.00 C ATOM 466 C GLU A 31 15.029 -3.670 -4.811 1.00 0.00 C ATOM 467 O GLU A 31 16.036 -2.964 -4.691 1.00 0.00 O ATOM 468 CB GLU A 31 14.546 -4.983 -2.694 1.00 0.00 C ATOM 469 CG GLU A 31 13.122 -5.508 -2.478 1.00 0.00 C ATOM 470 CD GLU A 31 12.076 -4.673 -3.241 1.00 0.00 C ATOM 471 OE1 GLU A 31 11.797 -4.992 -4.422 1.00 0.00 O ATOM 472 OE2 GLU A 31 11.539 -3.695 -2.664 1.00 0.00 O ATOM 0 H GLU A 31 17.064 -4.947 -4.401 1.00 0.00 H new ATOM 0 HA GLU A 31 14.292 -5.707 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.236 -5.551 -2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.599 -3.945 -2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.065 -6.546 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.889 -5.496 -1.413 1.00 0.00 H new ATOM 479 N SER A 32 13.951 -3.253 -5.486 1.00 0.00 N ATOM 480 CA SER A 32 13.860 -1.923 -6.113 1.00 0.00 C ATOM 481 C SER A 32 12.422 -1.433 -6.343 1.00 0.00 C ATOM 482 O SER A 32 11.470 -2.217 -6.359 1.00 0.00 O ATOM 483 CB SER A 32 14.622 -1.888 -7.430 1.00 0.00 C ATOM 484 OG SER A 32 15.023 -0.546 -7.653 1.00 0.00 O ATOM 0 H SER A 32 13.116 -3.825 -5.614 1.00 0.00 H new ATOM 0 HA SER A 32 14.315 -1.240 -5.395 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.490 -2.546 -7.389 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.993 -2.241 -8.247 1.00 0.00 H new ATOM 0 HG SER A 32 15.174 -0.405 -8.611 1.00 0.00 H new ATOM 490 N ASP A 33 12.262 -0.120 -6.538 1.00 0.00 N ATOM 491 CA ASP A 33 10.950 0.539 -6.669 1.00 0.00 C ATOM 492 C ASP A 33 10.358 0.481 -8.096 1.00 0.00 C ATOM 493 O ASP A 33 9.136 0.522 -8.267 1.00 0.00 O ATOM 494 CB ASP A 33 11.067 1.988 -6.183 1.00 0.00 C ATOM 495 CG ASP A 33 9.680 2.640 -6.019 1.00 0.00 C ATOM 496 OD1 ASP A 33 9.332 3.549 -6.809 1.00 0.00 O ATOM 497 OD2 ASP A 33 8.946 2.261 -5.074 1.00 0.00 O ATOM 0 H ASP A 33 13.047 0.527 -6.611 1.00 0.00 H new ATOM 0 HA ASP A 33 10.248 -0.016 -6.047 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.597 2.012 -5.231 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.660 2.565 -6.893 1.00 0.00 H new ATOM 502 N TYR A 34 11.216 0.361 -9.118 1.00 0.00 N ATOM 503 CA TYR A 34 10.832 0.201 -10.527 1.00 0.00 C ATOM 504 C TYR A 34 10.508 -1.273 -10.882 1.00 0.00 C ATOM 505 O TYR A 34 10.389 -2.138 -10.012 1.00 0.00 O ATOM 506 CB TYR A 34 11.923 0.821 -11.430 1.00 0.00 C ATOM 507 CG TYR A 34 13.124 -0.070 -11.686 1.00 0.00 C ATOM 508 CD1 TYR A 34 14.006 -0.360 -10.635 1.00 0.00 C ATOM 509 CD2 TYR A 34 13.339 -0.647 -12.954 1.00 0.00 C ATOM 510 CE1 TYR A 34 15.067 -1.266 -10.813 1.00 0.00 C ATOM 511 CE2 TYR A 34 14.412 -1.539 -13.146 1.00 0.00 C ATOM 512 CZ TYR A 34 15.279 -1.855 -12.079 1.00 0.00 C ATOM 513 OH TYR A 34 16.305 -2.723 -12.287 1.00 0.00 O ATOM 0 H TYR A 34 12.227 0.373 -8.983 1.00 0.00 H new ATOM 0 HA TYR A 34 9.903 0.741 -10.706 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.474 1.085 -12.388 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.268 1.749 -10.973 1.00 0.00 H new ATOM 0 HD1 TYR A 34 13.869 0.119 -9.677 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.682 -0.406 -13.777 1.00 0.00 H new ATOM 0 HE1 TYR A 34 15.717 -1.510 -9.985 1.00 0.00 H new ATOM 0 HE2 TYR A 34 14.572 -1.984 -14.117 1.00 0.00 H new ATOM 0 HH TYR A 34 16.293 -3.027 -13.219 1.00 0.00 H new ATOM 523 N THR A 35 10.380 -1.576 -12.179 1.00 0.00 N ATOM 524 CA THR A 35 9.973 -2.889 -12.724 1.00 0.00 C ATOM 525 C THR A 35 11.039 -3.989 -12.567 1.00 0.00 C ATOM 526 O THR A 35 10.774 -5.144 -12.879 1.00 0.00 O ATOM 527 CB THR A 35 9.558 -2.749 -14.207 1.00 0.00 C ATOM 528 OG1 THR A 35 9.071 -1.445 -14.485 1.00 0.00 O ATOM 529 CG2 THR A 35 8.443 -3.722 -14.600 1.00 0.00 C ATOM 0 H THR A 35 10.563 -0.890 -12.912 1.00 0.00 H new ATOM 0 HA THR A 35 9.119 -3.211 -12.128 1.00 0.00 H new ATOM 0 HB THR A 35 10.461 -2.966 -14.777 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.818 -1.385 -15.430 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.191 -3.581 -15.651 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.781 -4.746 -14.442 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.562 -3.533 -13.987 1.00 0.00 H new ATOM 537 N GLY A 36 12.250 -3.677 -12.085 1.00 0.00 N ATOM 538 CA GLY A 36 13.261 -4.680 -11.706 1.00 0.00 C ATOM 539 C GLY A 36 13.832 -5.511 -12.854 1.00 0.00 C ATOM 540 O GLY A 36 14.294 -6.632 -12.644 1.00 0.00 O ATOM 0 H GLY A 36 12.560 -2.715 -11.945 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.084 -4.169 -11.207 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.818 -5.358 -10.976 1.00 0.00 H new ATOM 544 N ASN A 37 13.793 -4.991 -14.081 1.00 0.00 N ATOM 545 CA ASN A 37 14.236 -5.719 -15.270 1.00 0.00 C ATOM 546 C ASN A 37 15.744 -5.550 -15.534 1.00 0.00 C ATOM 547 O ASN A 37 16.156 -4.851 -16.457 1.00 0.00 O ATOM 548 CB ASN A 37 13.368 -5.351 -16.482 1.00 0.00 C ATOM 549 CG ASN A 37 11.888 -5.665 -16.322 1.00 0.00 C ATOM 550 OD1 ASN A 37 11.044 -4.791 -16.430 1.00 0.00 O ATOM 551 ND2 ASN A 37 11.511 -6.906 -16.088 1.00 0.00 N ATOM 0 H ASN A 37 13.452 -4.050 -14.279 1.00 0.00 H new ATOM 0 HA ASN A 37 14.097 -6.784 -15.084 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.480 -4.285 -16.682 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.746 -5.881 -17.357 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.520 -7.130 -15.999 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.210 -7.643 -15.996 1.00 0.00 H new ATOM 558 N LEU A 38 16.565 -6.243 -14.744 1.00 0.00 N ATOM 559 CA LEU A 38 18.031 -6.246 -14.842 1.00 0.00 C ATOM 560 C LEU A 38 18.668 -7.638 -14.979 1.00 0.00 C ATOM 561 O LEU A 38 18.081 -8.637 -14.575 1.00 0.00 O ATOM 562 CB LEU A 38 18.624 -5.465 -13.659 1.00 0.00 C ATOM 563 CG LEU A 38 18.726 -6.205 -12.307 1.00 0.00 C ATOM 564 CD1 LEU A 38 19.293 -5.259 -11.262 1.00 0.00 C ATOM 565 CD2 LEU A 38 17.396 -6.695 -11.745 1.00 0.00 C ATOM 0 H LEU A 38 16.219 -6.839 -13.992 1.00 0.00 H new ATOM 0 HA LEU A 38 18.279 -5.750 -15.780 1.00 0.00 H new ATOM 0 HB2 LEU A 38 19.624 -5.134 -13.940 1.00 0.00 H new ATOM 0 HB3 LEU A 38 18.022 -4.569 -13.509 1.00 0.00 H new ATOM 0 HG LEU A 38 19.354 -7.073 -12.508 1.00 0.00 H new ATOM 0 HD11 LEU A 38 19.367 -5.776 -10.305 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.283 -4.926 -11.572 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.636 -4.396 -11.158 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.567 -7.202 -10.795 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.732 -5.845 -11.588 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.937 -7.389 -12.449 1.00 0.00 H new ATOM 577 N THR A 39 19.903 -7.677 -15.485 1.00 0.00 N ATOM 578 CA THR A 39 20.775 -8.862 -15.522 1.00 0.00 C ATOM 579 C THR A 39 22.236 -8.501 -15.209 1.00 0.00 C ATOM 580 O THR A 39 22.620 -7.330 -15.250 1.00 0.00 O ATOM 581 CB THR A 39 20.636 -9.605 -16.855 1.00 0.00 C ATOM 582 OG1 THR A 39 21.206 -10.881 -16.679 1.00 0.00 O ATOM 583 CG2 THR A 39 21.307 -8.920 -18.041 1.00 0.00 C ATOM 0 H THR A 39 20.343 -6.854 -15.897 1.00 0.00 H new ATOM 0 HA THR A 39 20.447 -9.543 -14.736 1.00 0.00 H new ATOM 0 HB THR A 39 19.575 -9.637 -17.101 1.00 0.00 H new ATOM 0 HG1 THR A 39 21.572 -11.196 -17.532 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.156 -9.518 -18.940 1.00 0.00 H new ATOM 0 HG22 THR A 39 20.870 -7.932 -18.185 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.375 -8.820 -17.847 1.00 0.00 H new ATOM 591 N ILE A 40 23.049 -9.500 -14.857 1.00 0.00 N ATOM 592 CA ILE A 40 24.425 -9.347 -14.357 1.00 0.00 C ATOM 593 C ILE A 40 25.385 -10.051 -15.313 1.00 0.00 C ATOM 594 O ILE A 40 25.228 -11.232 -15.608 1.00 0.00 O ATOM 595 CB ILE A 40 24.549 -9.930 -12.934 1.00 0.00 C ATOM 596 CG1 ILE A 40 23.629 -9.180 -11.946 1.00 0.00 C ATOM 597 CG2 ILE A 40 26.002 -9.901 -12.411 1.00 0.00 C ATOM 598 CD1 ILE A 40 23.411 -9.964 -10.652 1.00 0.00 C ATOM 0 H ILE A 40 22.760 -10.476 -14.913 1.00 0.00 H new ATOM 0 HA ILE A 40 24.678 -8.288 -14.308 1.00 0.00 H new ATOM 0 HB ILE A 40 24.236 -10.972 -13.000 1.00 0.00 H new ATOM 0 HG12 ILE A 40 24.065 -8.209 -11.711 1.00 0.00 H new ATOM 0 HG13 ILE A 40 22.666 -8.991 -12.421 1.00 0.00 H new ATOM 0 HG21 ILE A 40 26.035 -10.322 -11.406 1.00 0.00 H new ATOM 0 HG22 ILE A 40 26.638 -10.489 -13.072 1.00 0.00 H new ATOM 0 HG23 ILE A 40 26.359 -8.871 -12.385 1.00 0.00 H new ATOM 0 HD11 ILE A 40 22.758 -9.397 -9.989 1.00 0.00 H new ATOM 0 HD12 ILE A 40 22.949 -10.924 -10.882 1.00 0.00 H new ATOM 0 HD13 ILE A 40 24.370 -10.131 -10.162 1.00 0.00 H new ATOM 610 N ASN A 41 26.417 -9.330 -15.745 1.00 0.00 N ATOM 611 CA ASN A 41 27.407 -9.778 -16.716 1.00 0.00 C ATOM 612 C ASN A 41 28.801 -9.627 -16.088 1.00 0.00 C ATOM 613 O ASN A 41 29.030 -8.649 -15.375 1.00 0.00 O ATOM 614 CB ASN A 41 27.263 -8.938 -18.006 1.00 0.00 C ATOM 615 CG ASN A 41 25.822 -8.721 -18.470 1.00 0.00 C ATOM 616 OD1 ASN A 41 25.295 -9.450 -19.298 1.00 0.00 O ATOM 617 ND2 ASN A 41 25.155 -7.705 -17.959 1.00 0.00 N ATOM 0 H ASN A 41 26.592 -8.381 -15.414 1.00 0.00 H new ATOM 0 HA ASN A 41 27.258 -10.825 -16.981 1.00 0.00 H new ATOM 0 HB2 ASN A 41 27.728 -7.966 -17.844 1.00 0.00 H new ATOM 0 HB3 ASN A 41 27.818 -9.428 -18.806 1.00 0.00 H new ATOM 0 HD21 ASN A 41 24.195 -7.525 -18.254 1.00 0.00 H new ATOM 0 HD22 ASN A 41 25.599 -7.099 -17.268 1.00 0.00 H new ATOM 624 N GLU A 42 29.746 -10.536 -16.340 1.00 0.00 N ATOM 625 CA GLU A 42 31.146 -10.337 -15.936 1.00 0.00 C ATOM 626 C GLU A 42 32.155 -10.623 -17.057 1.00 0.00 C ATOM 627 O GLU A 42 31.874 -11.410 -17.966 1.00 0.00 O ATOM 628 CB GLU A 42 31.446 -11.113 -14.640 1.00 0.00 C ATOM 629 CG GLU A 42 31.692 -12.608 -14.834 1.00 0.00 C ATOM 630 CD GLU A 42 33.138 -13.021 -15.129 1.00 0.00 C ATOM 631 OE1 GLU A 42 33.284 -14.179 -15.572 1.00 0.00 O ATOM 632 OE2 GLU A 42 34.085 -12.247 -14.876 1.00 0.00 O ATOM 0 H GLU A 42 29.570 -11.418 -16.822 1.00 0.00 H new ATOM 0 HA GLU A 42 31.274 -9.275 -15.726 1.00 0.00 H new ATOM 0 HB2 GLU A 42 32.322 -10.673 -14.164 1.00 0.00 H new ATOM 0 HB3 GLU A 42 30.610 -10.982 -13.953 1.00 0.00 H new ATOM 0 HG2 GLU A 42 31.363 -13.129 -13.935 1.00 0.00 H new ATOM 0 HG3 GLU A 42 31.062 -12.956 -15.653 1.00 0.00 H new ATOM 639 N ARG A 43 33.339 -9.996 -16.977 1.00 0.00 N ATOM 640 CA ARG A 43 34.493 -10.311 -17.829 1.00 0.00 C ATOM 641 C ARG A 43 35.698 -10.726 -16.969 1.00 0.00 C ATOM 642 O ARG A 43 36.211 -9.886 -16.222 1.00 0.00 O ATOM 643 CB ARG A 43 34.825 -9.135 -18.765 1.00 0.00 C ATOM 644 CG ARG A 43 35.756 -9.538 -19.923 1.00 0.00 C ATOM 645 CD ARG A 43 35.038 -10.365 -21.001 1.00 0.00 C ATOM 646 NE ARG A 43 35.940 -10.668 -22.132 1.00 0.00 N ATOM 647 CZ ARG A 43 36.072 -9.995 -23.264 1.00 0.00 C ATOM 648 NH1 ARG A 43 35.401 -8.906 -23.515 1.00 0.00 N ATOM 649 NH2 ARG A 43 36.898 -10.413 -24.181 1.00 0.00 N ATOM 0 H ARG A 43 33.523 -9.247 -16.310 1.00 0.00 H new ATOM 0 HA ARG A 43 34.237 -11.159 -18.465 1.00 0.00 H new ATOM 0 HB2 ARG A 43 33.899 -8.729 -19.173 1.00 0.00 H new ATOM 0 HB3 ARG A 43 35.295 -8.339 -18.188 1.00 0.00 H new ATOM 0 HG2 ARG A 43 36.173 -8.640 -20.378 1.00 0.00 H new ATOM 0 HG3 ARG A 43 36.593 -10.113 -19.527 1.00 0.00 H new ATOM 0 HD2 ARG A 43 34.672 -11.295 -20.566 1.00 0.00 H new ATOM 0 HD3 ARG A 43 34.168 -9.818 -21.363 1.00 0.00 H new ATOM 0 HE ARG A 43 36.530 -11.493 -22.028 1.00 0.00 H new ATOM 0 HH11 ARG A 43 34.744 -8.542 -22.825 1.00 0.00 H new ATOM 0 HH12 ARG A 43 35.533 -8.418 -24.401 1.00 0.00 H new ATOM 0 HH21 ARG A 43 37.444 -11.260 -24.027 1.00 0.00 H new ATOM 0 HH22 ARG A 43 36.998 -9.893 -25.053 1.00 0.00 H new ATOM 663 N PRO A 44 36.184 -11.974 -17.098 1.00 0.00 N ATOM 664 CA PRO A 44 37.280 -12.488 -16.286 1.00 0.00 C ATOM 665 C PRO A 44 38.636 -12.016 -16.838 1.00 0.00 C ATOM 666 O PRO A 44 38.874 -12.067 -18.048 1.00 0.00 O ATOM 667 CB PRO A 44 37.097 -14.009 -16.324 1.00 0.00 C ATOM 668 CG PRO A 44 36.465 -14.275 -17.687 1.00 0.00 C ATOM 669 CD PRO A 44 35.607 -13.038 -17.912 1.00 0.00 C ATOM 0 HA PRO A 44 37.269 -12.124 -15.259 1.00 0.00 H new ATOM 0 HB2 PRO A 44 38.050 -14.528 -16.219 1.00 0.00 H new ATOM 0 HB3 PRO A 44 36.455 -14.353 -15.513 1.00 0.00 H new ATOM 0 HG2 PRO A 44 37.219 -14.391 -18.466 1.00 0.00 H new ATOM 0 HG3 PRO A 44 35.867 -15.186 -17.684 1.00 0.00 H new ATOM 0 HD2 PRO A 44 35.600 -12.759 -18.966 1.00 0.00 H new ATOM 0 HD3 PRO A 44 34.573 -13.227 -17.625 1.00 0.00 H new ATOM 677 N SER A 45 39.535 -11.556 -15.961 1.00 0.00 N ATOM 678 CA SER A 45 40.885 -11.110 -16.339 1.00 0.00 C ATOM 679 C SER A 45 41.894 -11.286 -15.198 1.00 0.00 C ATOM 680 O SER A 45 41.781 -10.668 -14.135 1.00 0.00 O ATOM 681 CB SER A 45 40.847 -9.652 -16.803 1.00 0.00 C ATOM 682 OG SER A 45 42.080 -9.333 -17.427 1.00 0.00 O ATOM 0 H SER A 45 39.347 -11.481 -14.961 1.00 0.00 H new ATOM 0 HA SER A 45 41.220 -11.741 -17.162 1.00 0.00 H new ATOM 0 HB2 SER A 45 40.022 -9.500 -17.499 1.00 0.00 H new ATOM 0 HB3 SER A 45 40.673 -8.991 -15.954 1.00 0.00 H new ATOM 0 HG SER A 45 41.964 -8.545 -17.998 1.00 0.00 H new ATOM 688 N ALA A 46 42.931 -12.097 -15.436 1.00 0.00 N ATOM 689 CA ALA A 46 43.910 -12.510 -14.422 1.00 0.00 C ATOM 690 C ALA A 46 44.808 -11.373 -13.886 1.00 0.00 C ATOM 691 O ALA A 46 45.484 -11.544 -12.868 1.00 0.00 O ATOM 692 CB ALA A 46 44.735 -13.667 -15.003 1.00 0.00 C ATOM 0 H ALA A 46 43.118 -12.493 -16.357 1.00 0.00 H new ATOM 0 HA ALA A 46 43.357 -12.832 -13.540 1.00 0.00 H new ATOM 0 HB1 ALA A 46 45.471 -13.994 -14.269 1.00 0.00 H new ATOM 0 HB2 ALA A 46 44.074 -14.498 -15.248 1.00 0.00 H new ATOM 0 HB3 ALA A 46 45.246 -13.332 -15.905 1.00 0.00 H new ATOM 698 N ARG A 47 44.762 -10.192 -14.520 1.00 0.00 N ATOM 699 CA ARG A 47 45.348 -8.935 -14.017 1.00 0.00 C ATOM 700 C ARG A 47 44.871 -8.552 -12.606 1.00 0.00 C ATOM 701 O ARG A 47 45.631 -7.924 -11.869 1.00 0.00 O ATOM 702 CB ARG A 47 45.050 -7.808 -15.029 1.00 0.00 C ATOM 703 CG ARG A 47 43.556 -7.428 -15.100 1.00 0.00 C ATOM 704 CD ARG A 47 43.214 -6.618 -16.354 1.00 0.00 C ATOM 705 NE ARG A 47 43.820 -5.269 -16.333 1.00 0.00 N ATOM 706 CZ ARG A 47 43.985 -4.464 -17.370 1.00 0.00 C ATOM 707 NH1 ARG A 47 43.619 -4.800 -18.577 1.00 0.00 N ATOM 708 NH2 ARG A 47 44.525 -3.289 -17.211 1.00 0.00 N ATOM 0 H ARG A 47 44.303 -10.079 -15.424 1.00 0.00 H new ATOM 0 HA ARG A 47 46.423 -9.087 -13.923 1.00 0.00 H new ATOM 0 HB2 ARG A 47 45.630 -6.925 -14.759 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.385 -8.120 -16.018 1.00 0.00 H new ATOM 0 HG2 ARG A 47 42.953 -8.336 -15.082 1.00 0.00 H new ATOM 0 HG3 ARG A 47 43.289 -6.851 -14.215 1.00 0.00 H new ATOM 0 HD2 ARG A 47 43.560 -7.156 -17.237 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.131 -6.526 -16.441 1.00 0.00 H new ATOM 0 HE ARG A 47 44.143 -4.925 -15.429 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.190 -5.710 -18.745 1.00 0.00 H new ATOM 0 HH12 ARG A 47 43.762 -4.153 -19.352 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.823 -2.986 -16.284 1.00 0.00 H new ATOM 0 HH22 ARG A 47 44.650 -2.672 -18.014 1.00 0.00 H new ATOM 722 N ALA A 48 43.628 -8.904 -12.245 1.00 0.00 N ATOM 723 CA ALA A 48 43.007 -8.492 -10.981 1.00 0.00 C ATOM 724 C ALA A 48 41.817 -9.351 -10.487 1.00 0.00 C ATOM 725 O ALA A 48 41.586 -9.388 -9.278 1.00 0.00 O ATOM 726 CB ALA A 48 42.554 -7.033 -11.155 1.00 0.00 C ATOM 0 H ALA A 48 43.024 -9.485 -12.826 1.00 0.00 H new ATOM 0 HA ALA A 48 43.763 -8.626 -10.207 1.00 0.00 H new ATOM 0 HB1 ALA A 48 42.085 -6.685 -10.235 1.00 0.00 H new ATOM 0 HB2 ALA A 48 43.418 -6.408 -11.380 1.00 0.00 H new ATOM 0 HB3 ALA A 48 41.837 -6.970 -11.974 1.00 0.00 H new ATOM 732 N GLY A 49 41.047 -10.015 -11.364 1.00 0.00 N ATOM 733 CA GLY A 49 39.793 -10.687 -10.983 1.00 0.00 C ATOM 734 C GLY A 49 38.730 -10.659 -12.087 1.00 0.00 C ATOM 735 O GLY A 49 38.910 -11.280 -13.135 1.00 0.00 O ATOM 0 H GLY A 49 41.275 -10.101 -12.354 1.00 0.00 H new ATOM 0 HA2 GLY A 49 40.009 -11.723 -10.722 1.00 0.00 H new ATOM 0 HA3 GLY A 49 39.391 -10.211 -10.089 1.00 0.00 H new ATOM 739 N SER A 50 37.624 -9.945 -11.858 1.00 0.00 N ATOM 740 CA SER A 50 36.523 -9.791 -12.822 1.00 0.00 C ATOM 741 C SER A 50 36.010 -8.352 -12.921 1.00 0.00 C ATOM 742 O SER A 50 35.852 -7.656 -11.916 1.00 0.00 O ATOM 743 CB SER A 50 35.354 -10.727 -12.489 1.00 0.00 C ATOM 744 OG SER A 50 34.953 -10.632 -11.134 1.00 0.00 O ATOM 0 H SER A 50 37.463 -9.447 -10.982 1.00 0.00 H new ATOM 0 HA SER A 50 36.942 -10.061 -13.791 1.00 0.00 H new ATOM 0 HB2 SER A 50 34.507 -10.489 -13.133 1.00 0.00 H new ATOM 0 HB3 SER A 50 35.642 -11.755 -12.708 1.00 0.00 H new ATOM 0 HG SER A 50 34.206 -11.244 -10.970 1.00 0.00 H new ATOM 750 N TRP A 51 35.666 -7.918 -14.137 1.00 0.00 N ATOM 751 CA TRP A 51 34.757 -6.785 -14.323 1.00 0.00 C ATOM 752 C TRP A 51 33.337 -7.276 -14.084 1.00 0.00 C ATOM 753 O TRP A 51 32.969 -8.294 -14.659 1.00 0.00 O ATOM 754 CB TRP A 51 34.866 -6.222 -15.747 1.00 0.00 C ATOM 755 CG TRP A 51 35.725 -5.013 -15.894 1.00 0.00 C ATOM 756 CD1 TRP A 51 36.950 -4.976 -16.461 1.00 0.00 C ATOM 757 CD2 TRP A 51 35.419 -3.641 -15.498 1.00 0.00 C ATOM 758 NE1 TRP A 51 37.434 -3.681 -16.429 1.00 0.00 N ATOM 759 CE2 TRP A 51 36.527 -2.814 -15.856 1.00 0.00 C ATOM 760 CE3 TRP A 51 34.314 -3.014 -14.879 1.00 0.00 C ATOM 761 CZ2 TRP A 51 36.540 -1.433 -15.606 1.00 0.00 C ATOM 762 CZ3 TRP A 51 34.321 -1.629 -14.626 1.00 0.00 C ATOM 763 CH2 TRP A 51 35.427 -0.839 -14.988 1.00 0.00 C ATOM 0 H TRP A 51 36.003 -8.334 -15.005 1.00 0.00 H new ATOM 0 HA TRP A 51 35.020 -5.992 -13.623 1.00 0.00 H new ATOM 0 HB2 TRP A 51 35.254 -7.004 -16.400 1.00 0.00 H new ATOM 0 HB3 TRP A 51 33.864 -5.980 -16.101 1.00 0.00 H new ATOM 0 HD1 TRP A 51 37.471 -5.826 -16.875 1.00 0.00 H new ATOM 0 HE1 TRP A 51 38.348 -3.402 -16.785 1.00 0.00 H new ATOM 0 HE3 TRP A 51 33.454 -3.604 -14.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 37.395 -0.835 -15.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 33.468 -1.168 -14.149 1.00 0.00 H new ATOM 0 HH2 TRP A 51 35.421 0.223 -14.791 1.00 0.00 H new ATOM 774 N ILE A 52 32.531 -6.555 -13.311 1.00 0.00 N ATOM 775 CA ILE A 52 31.085 -6.772 -13.163 1.00 0.00 C ATOM 776 C ILE A 52 30.342 -5.619 -13.826 1.00 0.00 C ATOM 777 O ILE A 52 30.644 -4.460 -13.554 1.00 0.00 O ATOM 778 CB ILE A 52 30.691 -6.893 -11.675 1.00 0.00 C ATOM 779 CG1 ILE A 52 31.487 -7.974 -10.919 1.00 0.00 C ATOM 780 CG2 ILE A 52 29.182 -7.163 -11.532 1.00 0.00 C ATOM 781 CD1 ILE A 52 31.374 -9.382 -11.513 1.00 0.00 C ATOM 0 H ILE A 52 32.872 -5.776 -12.749 1.00 0.00 H new ATOM 0 HA ILE A 52 30.812 -7.709 -13.648 1.00 0.00 H new ATOM 0 HB ILE A 52 30.941 -5.935 -11.219 1.00 0.00 H new ATOM 0 HG12 ILE A 52 32.538 -7.686 -10.899 1.00 0.00 H new ATOM 0 HG13 ILE A 52 31.145 -8.002 -9.885 1.00 0.00 H new ATOM 0 HG21 ILE A 52 28.926 -7.245 -10.476 1.00 0.00 H new ATOM 0 HG22 ILE A 52 28.622 -6.342 -11.979 1.00 0.00 H new ATOM 0 HG23 ILE A 52 28.929 -8.094 -12.040 1.00 0.00 H new ATOM 0 HD11 ILE A 52 31.966 -10.077 -10.917 1.00 0.00 H new ATOM 0 HD12 ILE A 52 30.330 -9.697 -11.507 1.00 0.00 H new ATOM 0 HD13 ILE A 52 31.745 -9.375 -12.538 1.00 0.00 H new ATOM 793 N THR A 53 29.341 -5.940 -14.644 1.00 0.00 N ATOM 794 CA THR A 53 28.548 -4.978 -15.420 1.00 0.00 C ATOM 795 C THR A 53 27.076 -5.366 -15.344 1.00 0.00 C ATOM 796 O THR A 53 26.677 -6.423 -15.837 1.00 0.00 O ATOM 797 CB THR A 53 29.039 -4.936 -16.879 1.00 0.00 C ATOM 798 OG1 THR A 53 30.410 -4.598 -16.910 1.00 0.00 O ATOM 799 CG2 THR A 53 28.317 -3.880 -17.711 1.00 0.00 C ATOM 0 H THR A 53 29.048 -6.906 -14.792 1.00 0.00 H new ATOM 0 HA THR A 53 28.669 -3.979 -15.002 1.00 0.00 H new ATOM 0 HB THR A 53 28.844 -5.924 -17.295 1.00 0.00 H new ATOM 0 HG1 THR A 53 30.720 -4.574 -17.839 1.00 0.00 H new ATOM 0 HG21 THR A 53 28.702 -3.894 -18.731 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.248 -4.095 -17.724 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.484 -2.896 -17.274 1.00 0.00 H new ATOM 807 N ILE A 54 26.251 -4.519 -14.733 1.00 0.00 N ATOM 808 CA ILE A 54 24.804 -4.728 -14.608 1.00 0.00 C ATOM 809 C ILE A 54 24.078 -3.917 -15.680 1.00 0.00 C ATOM 810 O ILE A 54 24.317 -2.718 -15.862 1.00 0.00 O ATOM 811 CB ILE A 54 24.328 -4.518 -13.150 1.00 0.00 C ATOM 812 CG1 ILE A 54 22.802 -4.633 -12.928 1.00 0.00 C ATOM 813 CG2 ILE A 54 24.871 -3.224 -12.529 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.951 -3.437 -13.378 1.00 0.00 C ATOM 0 H ILE A 54 26.571 -3.652 -14.302 1.00 0.00 H new ATOM 0 HA ILE A 54 24.543 -5.767 -14.807 1.00 0.00 H new ATOM 0 HB ILE A 54 24.764 -5.366 -12.623 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.447 -5.520 -13.452 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.624 -4.798 -11.865 1.00 0.00 H new ATOM 0 HG21 ILE A 54 24.505 -3.129 -11.507 1.00 0.00 H new ATOM 0 HG22 ILE A 54 25.961 -3.253 -12.523 1.00 0.00 H new ATOM 0 HG23 ILE A 54 24.534 -2.369 -13.116 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.900 -3.639 -13.169 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.263 -2.544 -12.837 1.00 0.00 H new ATOM 0 HD13 ILE A 54 22.084 -3.278 -14.448 1.00 0.00 H new ATOM 826 N THR A 55 23.184 -4.592 -16.399 1.00 0.00 N ATOM 827 CA THR A 55 22.400 -4.026 -17.501 1.00 0.00 C ATOM 828 C THR A 55 20.902 -4.111 -17.197 1.00 0.00 C ATOM 829 O THR A 55 20.424 -5.122 -16.689 1.00 0.00 O ATOM 830 CB THR A 55 22.748 -4.711 -18.835 1.00 0.00 C ATOM 831 OG1 THR A 55 22.704 -6.115 -18.700 1.00 0.00 O ATOM 832 CG2 THR A 55 24.171 -4.404 -19.303 1.00 0.00 C ATOM 0 H THR A 55 22.977 -5.576 -16.228 1.00 0.00 H new ATOM 0 HA THR A 55 22.659 -2.972 -17.601 1.00 0.00 H new ATOM 0 HB THR A 55 22.016 -4.331 -19.548 1.00 0.00 H new ATOM 0 HG1 THR A 55 22.926 -6.533 -19.558 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.361 -4.913 -20.248 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.285 -3.329 -19.441 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.883 -4.751 -18.554 1.00 0.00 H new ATOM 840 N VAL A 56 20.147 -3.050 -17.499 1.00 0.00 N ATOM 841 CA VAL A 56 18.674 -3.012 -17.437 1.00 0.00 C ATOM 842 C VAL A 56 18.129 -3.220 -18.846 1.00 0.00 C ATOM 843 O VAL A 56 18.395 -2.422 -19.740 1.00 0.00 O ATOM 844 CB VAL A 56 18.171 -1.724 -16.743 1.00 0.00 C ATOM 845 CG1 VAL A 56 16.710 -1.367 -17.036 1.00 0.00 C ATOM 846 CG2 VAL A 56 18.287 -1.938 -15.231 1.00 0.00 C ATOM 0 H VAL A 56 20.552 -2.165 -17.803 1.00 0.00 H new ATOM 0 HA VAL A 56 18.293 -3.820 -16.813 1.00 0.00 H new ATOM 0 HB VAL A 56 18.782 -0.907 -17.127 1.00 0.00 H new ATOM 0 HG11 VAL A 56 16.446 -0.451 -16.508 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.580 -1.218 -18.108 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.063 -2.178 -16.701 1.00 0.00 H new ATOM 0 HG21 VAL A 56 17.940 -1.046 -14.710 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.676 -2.792 -14.936 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.328 -2.129 -14.969 1.00 0.00 H new ATOM 856 N ASN A 57 17.413 -4.328 -19.046 1.00 0.00 N ATOM 857 CA ASN A 57 17.002 -4.924 -20.329 1.00 0.00 C ATOM 858 C ASN A 57 18.163 -5.156 -21.317 1.00 0.00 C ATOM 859 O ASN A 57 18.595 -6.291 -21.517 1.00 0.00 O ATOM 860 CB ASN A 57 15.833 -4.128 -20.945 1.00 0.00 C ATOM 861 CG ASN A 57 14.593 -4.151 -20.068 1.00 0.00 C ATOM 862 OD1 ASN A 57 13.913 -5.159 -19.941 1.00 0.00 O ATOM 863 ND2 ASN A 57 14.273 -3.053 -19.425 1.00 0.00 N ATOM 0 H ASN A 57 17.077 -4.879 -18.256 1.00 0.00 H new ATOM 0 HA ASN A 57 16.644 -5.930 -20.108 1.00 0.00 H new ATOM 0 HB2 ASN A 57 16.144 -3.095 -21.104 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.591 -4.542 -21.924 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.454 -3.038 -18.817 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.843 -2.214 -19.533 1.00 0.00 H new ATOM 870 N GLN A 58 18.666 -4.074 -21.919 1.00 0.00 N ATOM 871 CA GLN A 58 19.756 -4.053 -22.905 1.00 0.00 C ATOM 872 C GLN A 58 20.739 -2.872 -22.720 1.00 0.00 C ATOM 873 O GLN A 58 21.616 -2.659 -23.557 1.00 0.00 O ATOM 874 CB GLN A 58 19.148 -4.091 -24.320 1.00 0.00 C ATOM 875 CG GLN A 58 18.192 -2.923 -24.622 1.00 0.00 C ATOM 876 CD GLN A 58 17.775 -2.901 -26.091 1.00 0.00 C ATOM 877 OE1 GLN A 58 18.271 -2.124 -26.900 1.00 0.00 O ATOM 878 NE2 GLN A 58 16.860 -3.755 -26.505 1.00 0.00 N ATOM 0 H GLN A 58 18.307 -3.140 -21.723 1.00 0.00 H new ATOM 0 HA GLN A 58 20.370 -4.940 -22.748 1.00 0.00 H new ATOM 0 HB2 GLN A 58 19.956 -4.084 -25.052 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.610 -5.030 -24.448 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.306 -3.006 -23.993 1.00 0.00 H new ATOM 0 HG3 GLN A 58 18.677 -1.981 -24.367 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.437 -4.408 -25.846 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.575 -3.762 -27.484 1.00 0.00 H new ATOM 887 N ASP A 59 20.607 -2.102 -21.632 1.00 0.00 N ATOM 888 CA ASP A 59 21.363 -0.865 -21.379 1.00 0.00 C ATOM 889 C ASP A 59 22.226 -0.983 -20.118 1.00 0.00 C ATOM 890 O ASP A 59 21.723 -1.347 -19.057 1.00 0.00 O ATOM 891 CB ASP A 59 20.386 0.313 -21.242 1.00 0.00 C ATOM 892 CG ASP A 59 19.743 0.690 -22.586 1.00 0.00 C ATOM 893 OD1 ASP A 59 20.458 1.231 -23.465 1.00 0.00 O ATOM 894 OD2 ASP A 59 18.519 0.478 -22.760 1.00 0.00 O ATOM 0 H ASP A 59 19.954 -2.327 -20.882 1.00 0.00 H new ATOM 0 HA ASP A 59 22.032 -0.693 -22.223 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.605 0.054 -20.527 1.00 0.00 H new ATOM 0 HB3 ASP A 59 20.914 1.177 -20.838 1.00 0.00 H new ATOM 899 N VAL A 60 23.519 -0.654 -20.196 1.00 0.00 N ATOM 900 CA VAL A 60 24.392 -0.603 -19.005 1.00 0.00 C ATOM 901 C VAL A 60 24.066 0.614 -18.137 1.00 0.00 C ATOM 902 O VAL A 60 23.861 1.717 -18.646 1.00 0.00 O ATOM 903 CB VAL A 60 25.891 -0.699 -19.371 1.00 0.00 C ATOM 904 CG1 VAL A 60 26.392 0.433 -20.278 1.00 0.00 C ATOM 905 CG2 VAL A 60 26.775 -0.740 -18.119 1.00 0.00 C ATOM 0 H VAL A 60 23.990 -0.418 -21.069 1.00 0.00 H new ATOM 0 HA VAL A 60 24.182 -1.487 -18.403 1.00 0.00 H new ATOM 0 HB VAL A 60 25.971 -1.632 -19.929 1.00 0.00 H new ATOM 0 HG11 VAL A 60 27.452 0.290 -20.486 1.00 0.00 H new ATOM 0 HG12 VAL A 60 25.834 0.423 -21.214 1.00 0.00 H new ATOM 0 HG13 VAL A 60 26.246 1.391 -19.779 1.00 0.00 H new ATOM 0 HG21 VAL A 60 27.822 -0.808 -18.415 1.00 0.00 H new ATOM 0 HG22 VAL A 60 26.621 0.167 -17.535 1.00 0.00 H new ATOM 0 HG23 VAL A 60 26.512 -1.609 -17.516 1.00 0.00 H new ATOM 915 N ILE A 61 24.036 0.405 -16.815 1.00 0.00 N ATOM 916 CA ILE A 61 23.781 1.468 -15.826 1.00 0.00 C ATOM 917 C ILE A 61 24.816 1.534 -14.699 1.00 0.00 C ATOM 918 O ILE A 61 25.030 2.611 -14.145 1.00 0.00 O ATOM 919 CB ILE A 61 22.364 1.349 -15.234 1.00 0.00 C ATOM 920 CG1 ILE A 61 21.974 -0.079 -14.811 1.00 0.00 C ATOM 921 CG2 ILE A 61 21.334 1.938 -16.208 1.00 0.00 C ATOM 922 CD1 ILE A 61 20.820 -0.062 -13.807 1.00 0.00 C ATOM 0 H ILE A 61 24.189 -0.512 -16.395 1.00 0.00 H new ATOM 0 HA ILE A 61 23.869 2.402 -16.381 1.00 0.00 H new ATOM 0 HB ILE A 61 22.369 1.928 -14.311 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.686 -0.656 -15.690 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.836 -0.579 -14.370 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.336 1.849 -15.780 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.560 2.989 -16.385 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.374 1.395 -17.152 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.567 -1.084 -13.527 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.119 0.494 -12.919 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.951 0.416 -14.259 1.00 0.00 H new ATOM 934 N PHE A 62 25.472 0.417 -14.367 1.00 0.00 N ATOM 935 CA PHE A 62 26.548 0.390 -13.376 1.00 0.00 C ATOM 936 C PHE A 62 27.549 -0.726 -13.689 1.00 0.00 C ATOM 937 O PHE A 62 27.183 -1.787 -14.197 1.00 0.00 O ATOM 938 CB PHE A 62 25.950 0.274 -11.959 1.00 0.00 C ATOM 939 CG PHE A 62 26.982 0.017 -10.871 1.00 0.00 C ATOM 940 CD1 PHE A 62 27.877 1.044 -10.512 1.00 0.00 C ATOM 941 CD2 PHE A 62 27.114 -1.255 -10.278 1.00 0.00 C ATOM 942 CE1 PHE A 62 28.906 0.794 -9.588 1.00 0.00 C ATOM 943 CE2 PHE A 62 28.153 -1.509 -9.361 1.00 0.00 C ATOM 944 CZ PHE A 62 29.045 -0.481 -9.016 1.00 0.00 C ATOM 0 H PHE A 62 25.270 -0.494 -14.779 1.00 0.00 H new ATOM 0 HA PHE A 62 27.107 1.325 -13.420 1.00 0.00 H new ATOM 0 HB2 PHE A 62 25.413 1.193 -11.726 1.00 0.00 H new ATOM 0 HB3 PHE A 62 25.218 -0.534 -11.950 1.00 0.00 H new ATOM 0 HD1 PHE A 62 27.772 2.026 -10.948 1.00 0.00 H new ATOM 0 HD2 PHE A 62 26.415 -2.039 -10.528 1.00 0.00 H new ATOM 0 HE1 PHE A 62 29.591 1.584 -9.317 1.00 0.00 H new ATOM 0 HE2 PHE A 62 28.263 -2.491 -8.925 1.00 0.00 H new ATOM 0 HZ PHE A 62 29.839 -0.671 -8.309 1.00 0.00 H new ATOM 954 N GLN A 63 28.820 -0.475 -13.386 1.00 0.00 N ATOM 955 CA GLN A 63 29.900 -1.454 -13.516 1.00 0.00 C ATOM 956 C GLN A 63 31.072 -1.152 -12.566 1.00 0.00 C ATOM 957 O GLN A 63 31.368 0.008 -12.276 1.00 0.00 O ATOM 958 CB GLN A 63 30.346 -1.565 -14.987 1.00 0.00 C ATOM 959 CG GLN A 63 30.856 -0.264 -15.627 1.00 0.00 C ATOM 960 CD GLN A 63 31.158 -0.450 -17.116 1.00 0.00 C ATOM 961 OE1 GLN A 63 30.558 0.174 -17.981 1.00 0.00 O ATOM 962 NE2 GLN A 63 32.090 -1.309 -17.474 1.00 0.00 N ATOM 0 H GLN A 63 29.136 0.430 -13.037 1.00 0.00 H new ATOM 0 HA GLN A 63 29.516 -2.427 -13.211 1.00 0.00 H new ATOM 0 HB2 GLN A 63 31.135 -2.315 -15.053 1.00 0.00 H new ATOM 0 HB3 GLN A 63 29.506 -1.933 -15.576 1.00 0.00 H new ATOM 0 HG2 GLN A 63 30.110 0.521 -15.502 1.00 0.00 H new ATOM 0 HG3 GLN A 63 31.757 0.067 -15.111 1.00 0.00 H new ATOM 0 HE21 GLN A 63 32.598 -1.836 -16.764 1.00 0.00 H new ATOM 0 HE22 GLN A 63 32.304 -1.447 -18.462 1.00 0.00 H new ATOM 971 N THR A 64 31.740 -2.203 -12.083 1.00 0.00 N ATOM 972 CA THR A 64 32.847 -2.127 -11.110 1.00 0.00 C ATOM 973 C THR A 64 33.778 -3.343 -11.212 1.00 0.00 C ATOM 974 O THR A 64 33.419 -4.352 -11.818 1.00 0.00 O ATOM 975 CB THR A 64 32.280 -1.980 -9.688 1.00 0.00 C ATOM 976 OG1 THR A 64 33.328 -1.714 -8.781 1.00 0.00 O ATOM 977 CG2 THR A 64 31.511 -3.213 -9.200 1.00 0.00 C ATOM 0 H THR A 64 31.524 -3.160 -12.362 1.00 0.00 H new ATOM 0 HA THR A 64 33.448 -1.248 -11.344 1.00 0.00 H new ATOM 0 HB THR A 64 31.571 -1.153 -9.730 1.00 0.00 H new ATOM 0 HG1 THR A 64 32.962 -1.619 -7.877 1.00 0.00 H new ATOM 0 HG21 THR A 64 31.141 -3.035 -8.190 1.00 0.00 H new ATOM 0 HG22 THR A 64 30.670 -3.404 -9.866 1.00 0.00 H new ATOM 0 HG23 THR A 64 32.175 -4.078 -9.196 1.00 0.00 H new ATOM 985 N PHE A 65 34.971 -3.271 -10.618 1.00 0.00 N ATOM 986 CA PHE A 65 35.945 -4.365 -10.607 1.00 0.00 C ATOM 987 C PHE A 65 35.901 -5.140 -9.276 1.00 0.00 C ATOM 988 O PHE A 65 36.000 -4.541 -8.200 1.00 0.00 O ATOM 989 CB PHE A 65 37.345 -3.813 -10.929 1.00 0.00 C ATOM 990 CG PHE A 65 38.163 -4.749 -11.793 1.00 0.00 C ATOM 991 CD1 PHE A 65 38.609 -5.976 -11.275 1.00 0.00 C ATOM 992 CD2 PHE A 65 38.439 -4.419 -13.134 1.00 0.00 C ATOM 993 CE1 PHE A 65 39.269 -6.894 -12.108 1.00 0.00 C ATOM 994 CE2 PHE A 65 39.138 -5.322 -13.954 1.00 0.00 C ATOM 995 CZ PHE A 65 39.531 -6.571 -13.450 1.00 0.00 C ATOM 0 H PHE A 65 35.293 -2.439 -10.124 1.00 0.00 H new ATOM 0 HA PHE A 65 35.686 -5.087 -11.382 1.00 0.00 H new ATOM 0 HB2 PHE A 65 37.244 -2.854 -11.436 1.00 0.00 H new ATOM 0 HB3 PHE A 65 37.879 -3.626 -9.998 1.00 0.00 H new ATOM 0 HD1 PHE A 65 38.444 -6.214 -10.235 1.00 0.00 H new ATOM 0 HD2 PHE A 65 38.113 -3.470 -13.533 1.00 0.00 H new ATOM 0 HE1 PHE A 65 39.576 -7.852 -11.715 1.00 0.00 H new ATOM 0 HE2 PHE A 65 39.373 -5.054 -14.973 1.00 0.00 H new ATOM 0 HZ PHE A 65 40.033 -7.281 -14.091 1.00 0.00 H new ATOM 1005 N LEU A 66 35.768 -6.469 -9.341 1.00 0.00 N ATOM 1006 CA LEU A 66 35.861 -7.382 -8.197 1.00 0.00 C ATOM 1007 C LEU A 66 37.255 -8.020 -8.079 1.00 0.00 C ATOM 1008 O LEU A 66 37.863 -8.406 -9.080 1.00 0.00 O ATOM 1009 CB LEU A 66 34.803 -8.489 -8.300 1.00 0.00 C ATOM 1010 CG LEU A 66 33.401 -8.169 -7.780 1.00 0.00 C ATOM 1011 CD1 LEU A 66 32.563 -9.433 -7.957 1.00 0.00 C ATOM 1012 CD2 LEU A 66 33.364 -7.841 -6.285 1.00 0.00 C ATOM 0 H LEU A 66 35.587 -6.954 -10.220 1.00 0.00 H new ATOM 0 HA LEU A 66 35.682 -6.785 -7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 66 34.717 -8.777 -9.348 1.00 0.00 H new ATOM 0 HB3 LEU A 66 35.173 -9.360 -7.759 1.00 0.00 H new ATOM 0 HG LEU A 66 33.038 -7.300 -8.329 1.00 0.00 H new ATOM 0 HD11 LEU A 66 31.550 -9.251 -7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 66 32.531 -9.703 -9.012 1.00 0.00 H new ATOM 0 HD13 LEU A 66 33.009 -10.248 -7.387 1.00 0.00 H new ATOM 0 HD21 LEU A 66 32.339 -7.624 -5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 66 33.736 -8.693 -5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 66 33.991 -6.972 -6.088 1.00 0.00 H new ATOM 1024 N PHE A 67 37.707 -8.212 -6.837 1.00 0.00 N ATOM 1025 CA PHE A 67 38.990 -8.843 -6.494 1.00 0.00 C ATOM 1026 C PHE A 67 38.776 -10.102 -5.623 1.00 0.00 C ATOM 1027 O PHE A 67 38.011 -10.046 -4.658 1.00 0.00 O ATOM 1028 CB PHE A 67 39.889 -7.823 -5.771 1.00 0.00 C ATOM 1029 CG PHE A 67 40.205 -6.562 -6.558 1.00 0.00 C ATOM 1030 CD1 PHE A 67 39.305 -5.476 -6.549 1.00 0.00 C ATOM 1031 CD2 PHE A 67 41.409 -6.456 -7.281 1.00 0.00 C ATOM 1032 CE1 PHE A 67 39.594 -4.307 -7.275 1.00 0.00 C ATOM 1033 CE2 PHE A 67 41.710 -5.277 -7.987 1.00 0.00 C ATOM 1034 CZ PHE A 67 40.798 -4.207 -7.993 1.00 0.00 C ATOM 0 H PHE A 67 37.176 -7.925 -6.015 1.00 0.00 H new ATOM 0 HA PHE A 67 39.481 -9.162 -7.413 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.407 -7.537 -4.836 1.00 0.00 H new ATOM 0 HB3 PHE A 67 40.827 -8.312 -5.509 1.00 0.00 H new ATOM 0 HD1 PHE A 67 38.389 -5.543 -5.981 1.00 0.00 H new ATOM 0 HD2 PHE A 67 42.104 -7.283 -7.293 1.00 0.00 H new ATOM 0 HE1 PHE A 67 38.891 -3.487 -7.281 1.00 0.00 H new ATOM 0 HE2 PHE A 67 42.643 -5.194 -8.525 1.00 0.00 H new ATOM 0 HZ PHE A 67 41.023 -3.309 -8.549 1.00 0.00 H new ATOM 1044 N PRO A 68 39.442 -11.238 -5.927 1.00 0.00 N ATOM 1045 CA PRO A 68 39.284 -12.501 -5.191 1.00 0.00 C ATOM 1046 C PRO A 68 40.115 -12.566 -3.893 1.00 0.00 C ATOM 1047 O PRO A 68 39.716 -13.233 -2.938 1.00 0.00 O ATOM 1048 CB PRO A 68 39.727 -13.578 -6.189 1.00 0.00 C ATOM 1049 CG PRO A 68 40.811 -12.862 -6.992 1.00 0.00 C ATOM 1050 CD PRO A 68 40.253 -11.454 -7.116 1.00 0.00 C ATOM 0 HA PRO A 68 38.256 -12.627 -4.850 1.00 0.00 H new ATOM 0 HB2 PRO A 68 40.114 -14.463 -5.685 1.00 0.00 H new ATOM 0 HB3 PRO A 68 38.903 -13.907 -6.823 1.00 0.00 H new ATOM 0 HG2 PRO A 68 41.772 -12.874 -6.477 1.00 0.00 H new ATOM 0 HG3 PRO A 68 40.966 -13.324 -7.967 1.00 0.00 H new ATOM 0 HD2 PRO A 68 41.056 -10.720 -7.179 1.00 0.00 H new ATOM 0 HD3 PRO A 68 39.654 -11.350 -8.021 1.00 0.00 H new ATOM 1058 N LEU A 69 41.268 -11.880 -3.852 1.00 0.00 N ATOM 1059 CA LEU A 69 42.201 -11.882 -2.712 1.00 0.00 C ATOM 1060 C LEU A 69 41.729 -10.956 -1.577 1.00 0.00 C ATOM 1061 O LEU A 69 41.931 -11.258 -0.398 1.00 0.00 O ATOM 1062 CB LEU A 69 43.599 -11.519 -3.262 1.00 0.00 C ATOM 1063 CG LEU A 69 44.744 -11.499 -2.224 1.00 0.00 C ATOM 1064 CD1 LEU A 69 46.065 -11.872 -2.898 1.00 0.00 C ATOM 1065 CD2 LEU A 69 44.946 -10.113 -1.599 1.00 0.00 C ATOM 0 H LEU A 69 41.585 -11.296 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 69 42.243 -12.868 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 69 43.857 -12.231 -4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 69 43.541 -10.536 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 69 44.464 -12.211 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 69 46.867 -11.856 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 69 45.986 -12.871 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 69 46.285 -11.155 -3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 69 45.762 -10.155 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 69 45.189 -9.393 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 69 44.030 -9.805 -1.094 1.00 0.00 H new ATOM 1077 N LYS A 70 41.090 -9.836 -1.941 1.00 0.00 N ATOM 1078 CA LYS A 70 40.580 -8.810 -1.008 1.00 0.00 C ATOM 1079 C LYS A 70 39.149 -9.118 -0.537 1.00 0.00 C ATOM 1080 O LYS A 70 38.410 -9.848 -1.197 1.00 0.00 O ATOM 1081 CB LYS A 70 40.696 -7.411 -1.645 1.00 0.00 C ATOM 1082 CG LYS A 70 42.158 -7.024 -1.931 1.00 0.00 C ATOM 1083 CD LYS A 70 42.259 -5.596 -2.485 1.00 0.00 C ATOM 1084 CE LYS A 70 43.731 -5.229 -2.724 1.00 0.00 C ATOM 1085 NZ LYS A 70 43.878 -3.831 -3.220 1.00 0.00 N ATOM 0 H LYS A 70 40.906 -9.608 -2.918 1.00 0.00 H new ATOM 0 HA LYS A 70 41.200 -8.826 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 70 40.127 -7.388 -2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 70 40.249 -6.672 -0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 70 42.743 -7.103 -1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 70 42.589 -7.725 -2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 70 41.700 -5.518 -3.418 1.00 0.00 H new ATOM 0 HD3 LYS A 70 41.809 -4.892 -1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 70 44.290 -5.346 -1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 70 44.165 -5.919 -3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 44.885 -3.620 -3.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 43.365 -3.726 -4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 43.486 -3.171 -2.518 1.00 0.00 H new ATOM 1099 N ARG A 71 38.748 -8.535 0.602 1.00 0.00 N ATOM 1100 CA ARG A 71 37.452 -8.784 1.277 1.00 0.00 C ATOM 1101 C ARG A 71 36.387 -7.706 1.016 1.00 0.00 C ATOM 1102 O ARG A 71 35.440 -7.569 1.789 1.00 0.00 O ATOM 1103 CB ARG A 71 37.695 -9.084 2.775 1.00 0.00 C ATOM 1104 CG ARG A 71 36.673 -10.099 3.326 1.00 0.00 C ATOM 1105 CD ARG A 71 36.670 -10.189 4.859 1.00 0.00 C ATOM 1106 NE ARG A 71 37.951 -10.685 5.407 1.00 0.00 N ATOM 1107 CZ ARG A 71 38.247 -10.831 6.688 1.00 0.00 C ATOM 1108 NH1 ARG A 71 37.390 -10.557 7.635 1.00 0.00 N ATOM 1109 NH2 ARG A 71 39.424 -11.261 7.051 1.00 0.00 N ATOM 0 H ARG A 71 39.327 -7.858 1.098 1.00 0.00 H new ATOM 0 HA ARG A 71 37.007 -9.671 0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 71 38.704 -9.474 2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 71 37.633 -8.158 3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 71 35.676 -9.822 2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 71 36.890 -11.084 2.912 1.00 0.00 H new ATOM 0 HD2 ARG A 71 36.459 -9.204 5.276 1.00 0.00 H new ATOM 0 HD3 ARG A 71 35.864 -10.849 5.178 1.00 0.00 H new ATOM 0 HE ARG A 71 38.674 -10.938 4.734 1.00 0.00 H new ATOM 0 HH11 ARG A 71 36.458 -10.218 7.397 1.00 0.00 H new ATOM 0 HH12 ARG A 71 37.653 -10.682 8.613 1.00 0.00 H new ATOM 0 HH21 ARG A 71 40.124 -11.487 6.345 1.00 0.00 H new ATOM 0 HH22 ARG A 71 39.644 -11.371 8.041 1.00 0.00 H new ATOM 1123 N ASP A 72 36.517 -6.937 -0.067 1.00 0.00 N ATOM 1124 CA ASP A 72 35.510 -5.939 -0.471 1.00 0.00 C ATOM 1125 C ASP A 72 34.251 -6.551 -1.091 1.00 0.00 C ATOM 1126 O ASP A 72 33.234 -5.871 -1.127 1.00 0.00 O ATOM 1127 CB ASP A 72 36.093 -4.902 -1.439 1.00 0.00 C ATOM 1128 CG ASP A 72 36.332 -5.478 -2.850 1.00 0.00 C ATOM 1129 OD1 ASP A 72 37.419 -6.058 -3.079 1.00 0.00 O ATOM 1130 OD2 ASP A 72 35.423 -5.364 -3.711 1.00 0.00 O ATOM 0 H ASP A 72 37.321 -6.984 -0.692 1.00 0.00 H new ATOM 0 HA ASP A 72 35.216 -5.451 0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 72 35.414 -4.052 -1.508 1.00 0.00 H new ATOM 0 HB3 ASP A 72 37.035 -4.526 -1.039 1.00 0.00 H new ATOM 1135 N PHE A 73 34.289 -7.809 -1.547 1.00 0.00 N ATOM 1136 CA PHE A 73 33.214 -8.446 -2.323 1.00 0.00 C ATOM 1137 C PHE A 73 31.815 -8.213 -1.733 1.00 0.00 C ATOM 1138 O PHE A 73 30.917 -7.775 -2.445 1.00 0.00 O ATOM 1139 CB PHE A 73 33.545 -9.944 -2.471 1.00 0.00 C ATOM 1140 CG PHE A 73 32.410 -10.798 -3.003 1.00 0.00 C ATOM 1141 CD1 PHE A 73 32.346 -11.116 -4.372 1.00 0.00 C ATOM 1142 CD2 PHE A 73 31.409 -11.269 -2.129 1.00 0.00 C ATOM 1143 CE1 PHE A 73 31.268 -11.869 -4.874 1.00 0.00 C ATOM 1144 CE2 PHE A 73 30.324 -12.004 -2.629 1.00 0.00 C ATOM 1145 CZ PHE A 73 30.252 -12.296 -4.000 1.00 0.00 C ATOM 0 H PHE A 73 35.084 -8.427 -1.384 1.00 0.00 H new ATOM 0 HA PHE A 73 33.172 -7.979 -3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 73 34.402 -10.048 -3.137 1.00 0.00 H new ATOM 0 HB3 PHE A 73 33.848 -10.332 -1.499 1.00 0.00 H new ATOM 0 HD1 PHE A 73 33.126 -10.781 -5.040 1.00 0.00 H new ATOM 0 HD2 PHE A 73 31.478 -11.063 -1.071 1.00 0.00 H new ATOM 0 HE1 PHE A 73 31.221 -12.117 -5.924 1.00 0.00 H new ATOM 0 HE2 PHE A 73 29.546 -12.344 -1.961 1.00 0.00 H new ATOM 0 HZ PHE A 73 29.411 -12.852 -4.386 1.00 0.00 H new ATOM 1155 N GLU A 74 31.635 -8.415 -0.422 1.00 0.00 N ATOM 1156 CA GLU A 74 30.335 -8.216 0.242 1.00 0.00 C ATOM 1157 C GLU A 74 29.874 -6.753 0.176 1.00 0.00 C ATOM 1158 O GLU A 74 28.722 -6.458 -0.143 1.00 0.00 O ATOM 1159 CB GLU A 74 30.451 -8.677 1.700 1.00 0.00 C ATOM 1160 CG GLU A 74 29.080 -8.986 2.309 1.00 0.00 C ATOM 1161 CD GLU A 74 29.220 -9.435 3.776 1.00 0.00 C ATOM 1162 OE1 GLU A 74 29.405 -8.568 4.665 1.00 0.00 O ATOM 1163 OE2 GLU A 74 29.144 -10.658 4.053 1.00 0.00 O ATOM 0 H GLU A 74 32.378 -8.719 0.207 1.00 0.00 H new ATOM 0 HA GLU A 74 29.583 -8.807 -0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 74 31.080 -9.566 1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 74 30.944 -7.903 2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 74 28.445 -8.102 2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 74 28.588 -9.768 1.730 1.00 0.00 H new ATOM 1170 N LYS A 75 30.812 -5.826 0.403 1.00 0.00 N ATOM 1171 CA LYS A 75 30.581 -4.376 0.353 1.00 0.00 C ATOM 1172 C LYS A 75 30.248 -3.936 -1.070 1.00 0.00 C ATOM 1173 O LYS A 75 29.253 -3.253 -1.285 1.00 0.00 O ATOM 1174 CB LYS A 75 31.792 -3.607 0.932 1.00 0.00 C ATOM 1175 CG LYS A 75 32.047 -3.974 2.407 1.00 0.00 C ATOM 1176 CD LYS A 75 33.183 -4.996 2.580 1.00 0.00 C ATOM 1177 CE LYS A 75 33.025 -5.759 3.902 1.00 0.00 C ATOM 1178 NZ LYS A 75 34.246 -6.558 4.217 1.00 0.00 N ATOM 0 H LYS A 75 31.776 -6.068 0.632 1.00 0.00 H new ATOM 0 HA LYS A 75 29.721 -4.136 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 75 32.681 -3.831 0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 75 31.616 -2.535 0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 75 32.290 -3.070 2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 75 31.132 -4.379 2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 75 33.179 -5.698 1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 75 34.146 -4.485 2.561 1.00 0.00 H new ATOM 0 HE2 LYS A 75 32.831 -5.054 4.710 1.00 0.00 H new ATOM 0 HE3 LYS A 75 32.161 -6.420 3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 33.987 -7.365 4.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 34.670 -6.907 3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 34.933 -5.959 4.718 1.00 0.00 H new ATOM 1192 N THR A 76 31.004 -4.421 -2.053 1.00 0.00 N ATOM 1193 CA THR A 76 30.785 -4.188 -3.487 1.00 0.00 C ATOM 1194 C THR A 76 29.440 -4.747 -3.965 1.00 0.00 C ATOM 1195 O THR A 76 28.739 -4.062 -4.705 1.00 0.00 O ATOM 1196 CB THR A 76 31.976 -4.749 -4.291 1.00 0.00 C ATOM 1197 OG1 THR A 76 33.117 -3.983 -3.974 1.00 0.00 O ATOM 1198 CG2 THR A 76 31.768 -4.653 -5.803 1.00 0.00 C ATOM 0 H THR A 76 31.817 -5.009 -1.870 1.00 0.00 H new ATOM 0 HA THR A 76 30.732 -3.113 -3.660 1.00 0.00 H new ATOM 0 HB THR A 76 32.084 -5.801 -4.028 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.863 -4.581 -3.758 1.00 0.00 H new ATOM 0 HG21 THR A 76 32.638 -5.063 -6.317 1.00 0.00 H new ATOM 0 HG22 THR A 76 30.880 -5.219 -6.085 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.638 -3.609 -6.087 1.00 0.00 H new ATOM 1206 N VAL A 77 29.006 -5.919 -3.483 1.00 0.00 N ATOM 1207 CA VAL A 77 27.657 -6.461 -3.746 1.00 0.00 C ATOM 1208 C VAL A 77 26.586 -5.528 -3.183 1.00 0.00 C ATOM 1209 O VAL A 77 25.728 -5.081 -3.938 1.00 0.00 O ATOM 1210 CB VAL A 77 27.490 -7.894 -3.191 1.00 0.00 C ATOM 1211 CG1 VAL A 77 26.025 -8.352 -3.170 1.00 0.00 C ATOM 1212 CG2 VAL A 77 28.252 -8.908 -4.051 1.00 0.00 C ATOM 0 H VAL A 77 29.580 -6.524 -2.896 1.00 0.00 H new ATOM 0 HA VAL A 77 27.533 -6.521 -4.827 1.00 0.00 H new ATOM 0 HB VAL A 77 27.881 -7.857 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 77 25.966 -9.365 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 77 25.443 -7.680 -2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 77 25.625 -8.337 -4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 77 28.118 -9.908 -3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 77 27.868 -8.881 -5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 77 29.313 -8.657 -4.056 1.00 0.00 H new ATOM 1222 N VAL A 78 26.647 -5.180 -1.891 1.00 0.00 N ATOM 1223 CA VAL A 78 25.630 -4.328 -1.238 1.00 0.00 C ATOM 1224 C VAL A 78 25.579 -2.939 -1.880 1.00 0.00 C ATOM 1225 O VAL A 78 24.502 -2.396 -2.121 1.00 0.00 O ATOM 1226 CB VAL A 78 25.891 -4.238 0.281 1.00 0.00 C ATOM 1227 CG1 VAL A 78 24.983 -3.224 0.990 1.00 0.00 C ATOM 1228 CG2 VAL A 78 25.637 -5.600 0.938 1.00 0.00 C ATOM 0 H VAL A 78 27.397 -5.477 -1.267 1.00 0.00 H new ATOM 0 HA VAL A 78 24.653 -4.790 -1.384 1.00 0.00 H new ATOM 0 HB VAL A 78 26.928 -3.918 0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 78 25.216 -3.209 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 78 25.146 -2.232 0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.940 -3.510 0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.823 -5.528 2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.602 -5.898 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.304 -6.344 0.503 1.00 0.00 H new ATOM 1238 N ALA A 79 26.736 -2.390 -2.244 1.00 0.00 N ATOM 1239 CA ALA A 79 26.844 -1.085 -2.882 1.00 0.00 C ATOM 1240 C ALA A 79 26.311 -1.101 -4.321 1.00 0.00 C ATOM 1241 O ALA A 79 25.756 -0.104 -4.780 1.00 0.00 O ATOM 1242 CB ALA A 79 28.314 -0.672 -2.816 1.00 0.00 C ATOM 0 H ALA A 79 27.636 -2.848 -2.101 1.00 0.00 H new ATOM 0 HA ALA A 79 26.225 -0.356 -2.359 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.439 0.304 -3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 79 28.630 -0.617 -1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.923 -1.408 -3.342 1.00 0.00 H new ATOM 1248 N ALA A 80 26.432 -2.212 -5.052 1.00 0.00 N ATOM 1249 CA ALA A 80 25.857 -2.342 -6.390 1.00 0.00 C ATOM 1250 C ALA A 80 24.321 -2.303 -6.370 1.00 0.00 C ATOM 1251 O ALA A 80 23.723 -1.830 -7.332 1.00 0.00 O ATOM 1252 CB ALA A 80 26.368 -3.639 -7.022 1.00 0.00 C ATOM 0 H ALA A 80 26.930 -3.043 -4.733 1.00 0.00 H new ATOM 0 HA ALA A 80 26.174 -1.489 -6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 80 25.946 -3.748 -8.021 1.00 0.00 H new ATOM 0 HB2 ALA A 80 27.455 -3.607 -7.089 1.00 0.00 H new ATOM 0 HB3 ALA A 80 26.067 -4.487 -6.407 1.00 0.00 H new ATOM 1258 N LEU A 81 23.677 -2.712 -5.271 1.00 0.00 N ATOM 1259 CA LEU A 81 22.211 -2.658 -5.127 1.00 0.00 C ATOM 1260 C LEU A 81 21.730 -1.196 -5.189 1.00 0.00 C ATOM 1261 O LEU A 81 20.845 -0.847 -5.968 1.00 0.00 O ATOM 1262 CB LEU A 81 21.760 -3.297 -3.795 1.00 0.00 C ATOM 1263 CG LEU A 81 22.339 -4.676 -3.436 1.00 0.00 C ATOM 1264 CD1 LEU A 81 21.945 -5.050 -2.013 1.00 0.00 C ATOM 1265 CD2 LEU A 81 21.879 -5.794 -4.365 1.00 0.00 C ATOM 0 H LEU A 81 24.155 -3.091 -4.453 1.00 0.00 H new ATOM 0 HA LEU A 81 21.769 -3.223 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 81 22.011 -2.607 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.674 -3.383 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 81 23.420 -4.581 -3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.359 -6.028 -1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.335 -4.305 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.858 -5.085 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.328 -6.736 -4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.793 -5.877 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.187 -5.569 -5.386 1.00 0.00 H new ATOM 1277 N ILE A 82 22.394 -0.327 -4.416 1.00 0.00 N ATOM 1278 CA ILE A 82 22.110 1.115 -4.347 1.00 0.00 C ATOM 1279 C ILE A 82 22.492 1.789 -5.670 1.00 0.00 C ATOM 1280 O ILE A 82 21.697 2.518 -6.255 1.00 0.00 O ATOM 1281 CB ILE A 82 22.836 1.749 -3.132 1.00 0.00 C ATOM 1282 CG1 ILE A 82 22.409 1.065 -1.808 1.00 0.00 C ATOM 1283 CG2 ILE A 82 22.553 3.263 -3.067 1.00 0.00 C ATOM 1284 CD1 ILE A 82 23.208 1.511 -0.576 1.00 0.00 C ATOM 0 H ILE A 82 23.161 -0.612 -3.807 1.00 0.00 H new ATOM 0 HA ILE A 82 21.041 1.270 -4.199 1.00 0.00 H new ATOM 0 HB ILE A 82 23.907 1.596 -3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 82 21.352 1.268 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 82 22.512 -0.014 -1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 82 23.070 3.693 -2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.909 3.739 -3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.480 3.429 -2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 82 22.843 0.983 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 82 24.263 1.283 -0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 82 23.086 2.585 -0.432 1.00 0.00 H new ATOM 1296 N GLN A 83 23.686 1.504 -6.199 1.00 0.00 N ATOM 1297 CA GLN A 83 24.185 2.142 -7.427 1.00 0.00 C ATOM 1298 C GLN A 83 23.387 1.738 -8.679 1.00 0.00 C ATOM 1299 O GLN A 83 23.282 2.521 -9.623 1.00 0.00 O ATOM 1300 CB GLN A 83 25.680 1.830 -7.593 1.00 0.00 C ATOM 1301 CG GLN A 83 26.508 2.549 -6.516 1.00 0.00 C ATOM 1302 CD GLN A 83 27.967 2.107 -6.507 1.00 0.00 C ATOM 1303 OE1 GLN A 83 28.239 0.908 -6.035 1.00 0.00 O flip ATOM 1304 NE2 GLN A 83 28.875 2.825 -6.903 1.00 0.00 N flip ATOM 0 H GLN A 83 24.333 0.828 -5.792 1.00 0.00 H new ATOM 0 HA GLN A 83 24.047 3.218 -7.323 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.842 0.754 -7.525 1.00 0.00 H new ATOM 0 HB3 GLN A 83 26.014 2.141 -8.583 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.459 3.625 -6.683 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.068 2.358 -5.537 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.668 3.754 -7.269 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.839 2.494 -6.867 1.00 0.00 H new ATOM 1313 N THR A 84 22.754 0.559 -8.663 1.00 0.00 N ATOM 1314 CA THR A 84 21.800 0.135 -9.700 1.00 0.00 C ATOM 1315 C THR A 84 20.566 1.034 -9.709 1.00 0.00 C ATOM 1316 O THR A 84 20.186 1.526 -10.769 1.00 0.00 O ATOM 1317 CB THR A 84 21.391 -1.331 -9.503 1.00 0.00 C ATOM 1318 OG1 THR A 84 22.514 -2.156 -9.698 1.00 0.00 O ATOM 1319 CG2 THR A 84 20.360 -1.818 -10.508 1.00 0.00 C ATOM 0 H THR A 84 22.889 -0.134 -7.926 1.00 0.00 H new ATOM 0 HA THR A 84 22.298 0.226 -10.665 1.00 0.00 H new ATOM 0 HB THR A 84 20.973 -1.384 -8.498 1.00 0.00 H new ATOM 0 HG1 THR A 84 23.179 -1.973 -9.002 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.120 -2.862 -10.306 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.456 -1.215 -10.423 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.764 -1.727 -11.516 1.00 0.00 H new ATOM 1327 N GLU A 85 19.949 1.317 -8.554 1.00 0.00 N ATOM 1328 CA GLU A 85 18.784 2.211 -8.539 1.00 0.00 C ATOM 1329 C GLU A 85 19.176 3.680 -8.722 1.00 0.00 C ATOM 1330 O GLU A 85 18.417 4.434 -9.319 1.00 0.00 O ATOM 1331 CB GLU A 85 17.894 1.996 -7.305 1.00 0.00 C ATOM 1332 CG GLU A 85 18.505 2.412 -5.962 1.00 0.00 C ATOM 1333 CD GLU A 85 17.403 2.669 -4.915 1.00 0.00 C ATOM 1334 OE1 GLU A 85 17.202 1.821 -4.011 1.00 0.00 O ATOM 1335 OE2 GLU A 85 16.743 3.737 -4.987 1.00 0.00 O ATOM 0 H GLU A 85 20.226 0.952 -7.643 1.00 0.00 H new ATOM 0 HA GLU A 85 18.180 1.940 -9.405 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.967 2.550 -7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.629 0.940 -7.251 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.177 1.631 -5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.105 3.313 -6.094 1.00 0.00 H new ATOM 1342 N GLU A 86 20.358 4.118 -8.284 1.00 0.00 N ATOM 1343 CA GLU A 86 20.813 5.513 -8.435 1.00 0.00 C ATOM 1344 C GLU A 86 20.944 5.953 -9.900 1.00 0.00 C ATOM 1345 O GLU A 86 20.696 7.118 -10.213 1.00 0.00 O ATOM 1346 CB GLU A 86 22.139 5.717 -7.693 1.00 0.00 C ATOM 1347 CG GLU A 86 21.924 5.780 -6.177 1.00 0.00 C ATOM 1348 CD GLU A 86 21.538 7.201 -5.720 1.00 0.00 C ATOM 1349 OE1 GLU A 86 20.350 7.587 -5.856 1.00 0.00 O ATOM 1350 OE2 GLU A 86 22.421 7.946 -5.229 1.00 0.00 O ATOM 0 H GLU A 86 21.034 3.517 -7.812 1.00 0.00 H new ATOM 0 HA GLU A 86 20.042 6.145 -7.993 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.821 4.901 -7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 86 22.611 6.638 -8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.140 5.079 -5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.834 5.467 -5.666 1.00 0.00 H new ATOM 1357 N ALA A 87 21.225 5.017 -10.816 1.00 0.00 N ATOM 1358 CA ALA A 87 21.158 5.264 -12.255 1.00 0.00 C ATOM 1359 C ALA A 87 19.724 5.570 -12.718 1.00 0.00 C ATOM 1360 O ALA A 87 19.498 6.482 -13.507 1.00 0.00 O ATOM 1361 CB ALA A 87 21.691 4.025 -12.982 1.00 0.00 C ATOM 0 H ALA A 87 21.505 4.066 -10.575 1.00 0.00 H new ATOM 0 HA ALA A 87 21.764 6.139 -12.490 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.649 4.189 -14.059 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.723 3.843 -12.682 1.00 0.00 H new ATOM 0 HB3 ALA A 87 21.080 3.160 -12.723 1.00 0.00 H new ATOM 1367 N LEU A 88 18.740 4.815 -12.213 1.00 0.00 N ATOM 1368 CA LEU A 88 17.332 4.890 -12.625 1.00 0.00 C ATOM 1369 C LEU A 88 16.575 6.008 -11.899 1.00 0.00 C ATOM 1370 O LEU A 88 15.587 6.530 -12.415 1.00 0.00 O ATOM 1371 CB LEU A 88 16.671 3.519 -12.393 1.00 0.00 C ATOM 1372 CG LEU A 88 17.397 2.301 -12.993 1.00 0.00 C ATOM 1373 CD1 LEU A 88 16.565 1.064 -12.731 1.00 0.00 C ATOM 1374 CD2 LEU A 88 17.600 2.439 -14.497 1.00 0.00 C ATOM 0 H LEU A 88 18.905 4.117 -11.488 1.00 0.00 H new ATOM 0 HA LEU A 88 17.291 5.139 -13.685 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.573 3.364 -11.319 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.662 3.552 -12.803 1.00 0.00 H new ATOM 0 HG LEU A 88 18.378 2.230 -12.524 1.00 0.00 H new ATOM 0 HD11 LEU A 88 17.067 0.192 -13.151 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.442 0.929 -11.656 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.586 1.178 -13.197 1.00 0.00 H new ATOM 0 HD21 LEU A 88 18.116 1.557 -14.877 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.631 2.532 -14.988 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.198 3.326 -14.703 1.00 0.00 H new ATOM 1386 N ASN A 89 17.075 6.426 -10.738 1.00 0.00 N ATOM 1387 CA ASN A 89 16.519 7.486 -9.896 1.00 0.00 C ATOM 1388 C ASN A 89 16.470 8.852 -10.597 1.00 0.00 C ATOM 1389 O ASN A 89 15.554 9.624 -10.332 1.00 0.00 O ATOM 1390 CB ASN A 89 17.303 7.525 -8.567 1.00 0.00 C ATOM 1391 CG ASN A 89 16.607 6.789 -7.439 1.00 0.00 C ATOM 1392 OD1 ASN A 89 15.647 7.259 -6.845 1.00 0.00 O ATOM 1393 ND2 ASN A 89 17.087 5.620 -7.120 1.00 0.00 N ATOM 0 H ASN A 89 17.919 6.016 -10.339 1.00 0.00 H new ATOM 0 HA ASN A 89 15.475 7.254 -9.688 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.290 7.089 -8.722 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.456 8.564 -8.274 1.00 0.00 H new ATOM 0 HD21 ASN A 89 16.661 5.083 -6.365 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.888 5.242 -7.626 1.00 0.00 H new ATOM 1400 N ARG A 90 17.377 9.122 -11.547 1.00 0.00 N ATOM 1401 CA ARG A 90 17.378 10.341 -12.389 1.00 0.00 C ATOM 1402 C ARG A 90 16.795 10.126 -13.805 1.00 0.00 C ATOM 1403 O ARG A 90 16.585 11.089 -14.538 1.00 0.00 O ATOM 1404 CB ARG A 90 18.807 10.925 -12.367 1.00 0.00 C ATOM 1405 CG ARG A 90 18.878 12.397 -12.809 1.00 0.00 C ATOM 1406 CD ARG A 90 20.262 12.993 -12.529 1.00 0.00 C ATOM 1407 NE ARG A 90 20.310 14.423 -12.900 1.00 0.00 N ATOM 1408 CZ ARG A 90 21.288 15.276 -12.645 1.00 0.00 C ATOM 1409 NH1 ARG A 90 22.379 14.918 -12.026 1.00 0.00 N ATOM 1410 NH2 ARG A 90 21.185 16.522 -13.012 1.00 0.00 N ATOM 0 H ARG A 90 18.149 8.490 -11.761 1.00 0.00 H new ATOM 0 HA ARG A 90 16.689 11.075 -11.970 1.00 0.00 H new ATOM 0 HB2 ARG A 90 19.211 10.837 -11.358 1.00 0.00 H new ATOM 0 HB3 ARG A 90 19.445 10.328 -13.019 1.00 0.00 H new ATOM 0 HG2 ARG A 90 18.656 12.471 -13.874 1.00 0.00 H new ATOM 0 HG3 ARG A 90 18.117 12.974 -12.284 1.00 0.00 H new ATOM 0 HD2 ARG A 90 20.503 12.880 -11.472 1.00 0.00 H new ATOM 0 HD3 ARG A 90 21.018 12.443 -13.089 1.00 0.00 H new ATOM 0 HE ARG A 90 19.504 14.791 -13.406 1.00 0.00 H new ATOM 0 HH11 ARG A 90 22.499 13.952 -11.721 1.00 0.00 H new ATOM 0 HH12 ARG A 90 23.112 15.604 -11.847 1.00 0.00 H new ATOM 0 HH21 ARG A 90 20.348 16.843 -13.498 1.00 0.00 H new ATOM 0 HH22 ARG A 90 21.942 17.176 -12.813 1.00 0.00 H new ATOM 1424 N ARG A 91 16.481 8.873 -14.166 1.00 0.00 N ATOM 1425 CA ARG A 91 15.848 8.484 -15.453 1.00 0.00 C ATOM 1426 C ARG A 91 14.321 8.516 -15.378 1.00 0.00 C ATOM 1427 O ARG A 91 13.667 9.138 -16.211 1.00 0.00 O ATOM 1428 CB ARG A 91 16.295 7.072 -15.876 1.00 0.00 C ATOM 1429 CG ARG A 91 17.769 6.958 -16.283 1.00 0.00 C ATOM 1430 CD ARG A 91 18.172 5.475 -16.432 1.00 0.00 C ATOM 1431 NE ARG A 91 18.671 5.180 -17.793 1.00 0.00 N ATOM 1432 CZ ARG A 91 18.027 4.640 -18.816 1.00 0.00 C ATOM 1433 NH1 ARG A 91 16.784 4.255 -18.743 1.00 0.00 N ATOM 1434 NH2 ARG A 91 18.637 4.475 -19.953 1.00 0.00 N ATOM 0 H ARG A 91 16.662 8.073 -13.559 1.00 0.00 H new ATOM 0 HA ARG A 91 16.174 9.216 -16.192 1.00 0.00 H new ATOM 0 HB2 ARG A 91 16.106 6.384 -15.052 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.676 6.745 -16.712 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.935 7.483 -17.224 1.00 0.00 H new ATOM 0 HG3 ARG A 91 18.398 7.439 -15.534 1.00 0.00 H new ATOM 0 HD2 ARG A 91 18.943 5.232 -15.701 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.313 4.840 -16.213 1.00 0.00 H new ATOM 0 HE ARG A 91 19.645 5.427 -17.967 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.266 4.365 -17.871 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.329 3.844 -19.558 1.00 0.00 H new ATOM 0 HH21 ARG A 91 19.611 4.762 -20.056 1.00 0.00 H new ATOM 0 HH22 ARG A 91 18.142 4.059 -20.742 1.00 0.00 H new ATOM 1448 N GLN A 92 13.773 7.796 -14.389 1.00 0.00 N ATOM 1449 CA GLN A 92 12.337 7.471 -14.313 1.00 0.00 C ATOM 1450 C GLN A 92 11.730 7.530 -12.908 1.00 0.00 C ATOM 1451 O GLN A 92 10.627 8.046 -12.743 1.00 0.00 O ATOM 1452 CB GLN A 92 12.086 6.097 -14.962 1.00 0.00 C ATOM 1453 CG GLN A 92 12.978 4.937 -14.468 1.00 0.00 C ATOM 1454 CD GLN A 92 12.481 3.590 -14.991 1.00 0.00 C ATOM 1455 OE1 GLN A 92 13.005 3.032 -15.944 1.00 0.00 O ATOM 1456 NE2 GLN A 92 11.447 3.030 -14.395 1.00 0.00 N ATOM 0 H GLN A 92 14.316 7.419 -13.612 1.00 0.00 H new ATOM 0 HA GLN A 92 11.822 8.257 -14.865 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.044 5.824 -14.794 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.219 6.197 -16.039 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.005 5.100 -14.796 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.990 4.924 -13.378 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.006 3.491 -13.599 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.088 2.136 -14.730 1.00 0.00 H new ATOM 1465 N ILE A 93 12.449 7.068 -11.873 1.00 0.00 N ATOM 1466 CA ILE A 93 11.893 7.016 -10.499 1.00 0.00 C ATOM 1467 C ILE A 93 11.685 8.439 -9.942 1.00 0.00 C ATOM 1468 O ILE A 93 10.847 8.652 -9.075 1.00 0.00 O ATOM 1469 CB ILE A 93 12.716 6.101 -9.547 1.00 0.00 C ATOM 1470 CG1 ILE A 93 13.234 4.809 -10.236 1.00 0.00 C ATOM 1471 CG2 ILE A 93 11.849 5.729 -8.334 1.00 0.00 C ATOM 1472 CD1 ILE A 93 14.045 3.858 -9.342 1.00 0.00 C ATOM 0 H ILE A 93 13.407 6.727 -11.953 1.00 0.00 H new ATOM 0 HA ILE A 93 10.912 6.544 -10.558 1.00 0.00 H new ATOM 0 HB ILE A 93 13.597 6.664 -9.238 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.379 4.263 -10.634 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.853 5.095 -11.086 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.419 5.088 -7.662 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.553 6.636 -7.806 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.958 5.199 -8.672 1.00 0.00 H new ATOM 0 HD11 ILE A 93 14.357 2.990 -9.923 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.926 4.377 -8.964 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.428 3.532 -8.504 1.00 0.00 H new ATOM 1484 N ASN A 94 12.350 9.444 -10.525 1.00 0.00 N ATOM 1485 CA ASN A 94 12.193 10.865 -10.188 1.00 0.00 C ATOM 1486 C ASN A 94 10.747 11.371 -10.354 1.00 0.00 C ATOM 1487 O ASN A 94 10.284 12.192 -9.565 1.00 0.00 O ATOM 1488 CB ASN A 94 13.157 11.697 -11.066 1.00 0.00 C ATOM 1489 CG ASN A 94 13.920 12.724 -10.246 1.00 0.00 C ATOM 1490 OD1 ASN A 94 13.530 13.876 -10.116 1.00 0.00 O ATOM 1491 ND2 ASN A 94 15.024 12.322 -9.659 1.00 0.00 N ATOM 0 H ASN A 94 13.033 9.287 -11.266 1.00 0.00 H new ATOM 0 HA ASN A 94 12.436 10.983 -9.132 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.863 11.031 -11.563 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.591 12.203 -11.848 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.564 12.973 -9.089 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.341 11.359 -9.773 1.00 0.00 H new ATOM 1498 N GLN A 95 10.018 10.845 -11.349 1.00 0.00 N ATOM 1499 CA GLN A 95 8.587 11.114 -11.521 1.00 0.00 C ATOM 1500 C GLN A 95 7.752 10.335 -10.497 1.00 0.00 C ATOM 1501 O GLN A 95 6.886 10.913 -9.848 1.00 0.00 O ATOM 1502 CB GLN A 95 8.144 10.797 -12.962 1.00 0.00 C ATOM 1503 CG GLN A 95 8.821 11.706 -14.000 1.00 0.00 C ATOM 1504 CD GLN A 95 8.238 11.502 -15.397 1.00 0.00 C ATOM 1505 OE1 GLN A 95 7.352 12.218 -15.848 1.00 0.00 O ATOM 1506 NE2 GLN A 95 8.701 10.513 -16.130 1.00 0.00 N ATOM 0 H GLN A 95 10.406 10.221 -12.056 1.00 0.00 H new ATOM 0 HA GLN A 95 8.417 12.176 -11.343 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.376 9.756 -13.189 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.062 10.907 -13.038 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.701 12.748 -13.704 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.892 11.502 -14.019 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.439 9.910 -15.766 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.323 10.349 -17.063 1.00 0.00 H new ATOM 1515 N ALA A 96 8.055 9.048 -10.292 1.00 0.00 N ATOM 1516 CA ALA A 96 7.293 8.159 -9.407 1.00 0.00 C ATOM 1517 C ALA A 96 7.367 8.564 -7.919 1.00 0.00 C ATOM 1518 O ALA A 96 6.370 8.471 -7.199 1.00 0.00 O ATOM 1519 CB ALA A 96 7.796 6.726 -9.618 1.00 0.00 C ATOM 0 H ALA A 96 8.847 8.589 -10.742 1.00 0.00 H new ATOM 0 HA ALA A 96 6.238 8.237 -9.670 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.243 6.047 -8.969 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.646 6.437 -10.658 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.858 6.674 -9.377 1.00 0.00 H new ATOM 1525 N LEU A 97 8.525 9.061 -7.458 1.00 0.00 N ATOM 1526 CA LEU A 97 8.695 9.552 -6.081 1.00 0.00 C ATOM 1527 C LEU A 97 7.980 10.889 -5.819 1.00 0.00 C ATOM 1528 O LEU A 97 7.607 11.188 -4.684 1.00 0.00 O ATOM 1529 CB LEU A 97 10.190 9.570 -5.713 1.00 0.00 C ATOM 1530 CG LEU A 97 11.103 10.580 -6.435 1.00 0.00 C ATOM 1531 CD1 LEU A 97 11.115 11.970 -5.789 1.00 0.00 C ATOM 1532 CD2 LEU A 97 12.548 10.073 -6.413 1.00 0.00 C ATOM 0 H LEU A 97 9.368 9.134 -8.027 1.00 0.00 H new ATOM 0 HA LEU A 97 8.196 8.854 -5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.268 9.757 -4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.590 8.572 -5.892 1.00 0.00 H new ATOM 0 HG LEU A 97 10.702 10.669 -7.445 1.00 0.00 H new ATOM 0 HD11 LEU A 97 11.779 12.627 -6.351 1.00 0.00 H new ATOM 0 HD12 LEU A 97 10.106 12.383 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 97 11.468 11.890 -4.761 1.00 0.00 H new ATOM 0 HD21 LEU A 97 13.192 10.788 -6.924 1.00 0.00 H new ATOM 0 HD22 LEU A 97 12.878 9.960 -5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.603 9.109 -6.919 1.00 0.00 H new ATOM 1544 N LEU A 98 7.768 11.672 -6.880 1.00 0.00 N ATOM 1545 CA LEU A 98 7.092 12.975 -6.853 1.00 0.00 C ATOM 1546 C LEU A 98 5.563 12.862 -7.016 1.00 0.00 C ATOM 1547 O LEU A 98 4.817 13.559 -6.328 1.00 0.00 O ATOM 1548 CB LEU A 98 7.732 13.861 -7.940 1.00 0.00 C ATOM 1549 CG LEU A 98 7.174 15.295 -8.023 1.00 0.00 C ATOM 1550 CD1 LEU A 98 7.427 16.097 -6.743 1.00 0.00 C ATOM 1551 CD2 LEU A 98 7.837 16.034 -9.185 1.00 0.00 C ATOM 0 H LEU A 98 8.073 11.408 -7.817 1.00 0.00 H new ATOM 0 HA LEU A 98 7.229 13.431 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.805 13.915 -7.758 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.596 13.378 -8.908 1.00 0.00 H new ATOM 0 HG LEU A 98 6.097 15.209 -8.168 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.014 17.100 -6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.947 15.599 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.500 16.164 -6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.442 17.048 -9.244 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.914 16.073 -9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.628 15.509 -10.117 1.00 0.00 H new ATOM 1563 N SER A 99 5.082 11.973 -7.893 1.00 0.00 N ATOM 1564 CA SER A 99 3.654 11.822 -8.231 1.00 0.00 C ATOM 1565 C SER A 99 2.806 11.128 -7.150 1.00 0.00 C ATOM 1566 O SER A 99 1.578 11.109 -7.250 1.00 0.00 O ATOM 1567 CB SER A 99 3.501 11.094 -9.572 1.00 0.00 C ATOM 1568 OG SER A 99 3.936 9.744 -9.473 1.00 0.00 O ATOM 0 H SER A 99 5.683 11.323 -8.400 1.00 0.00 H new ATOM 0 HA SER A 99 3.263 12.837 -8.301 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.458 11.121 -9.887 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.079 11.611 -10.338 1.00 0.00 H new ATOM 0 HG SER A 99 3.827 9.301 -10.340 1.00 0.00 H new ATOM 1574 N THR A 100 3.440 10.601 -6.093 1.00 0.00 N ATOM 1575 CA THR A 100 2.792 9.867 -4.986 1.00 0.00 C ATOM 1576 C THR A 100 1.751 10.688 -4.197 1.00 0.00 C ATOM 1577 O THR A 100 0.870 10.121 -3.546 1.00 0.00 O ATOM 1578 CB THR A 100 3.878 9.300 -4.049 1.00 0.00 C ATOM 1579 OG1 THR A 100 3.340 8.306 -3.200 1.00 0.00 O ATOM 1580 CG2 THR A 100 4.554 10.363 -3.175 1.00 0.00 C ATOM 0 H THR A 100 4.451 10.674 -5.977 1.00 0.00 H new ATOM 0 HA THR A 100 2.219 9.058 -5.439 1.00 0.00 H new ATOM 0 HB THR A 100 4.635 8.879 -4.711 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.045 7.959 -2.615 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.306 9.890 -2.543 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.032 11.108 -3.812 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.806 10.848 -2.548 1.00 0.00 H new ATOM 1588 N GLY A 101 1.809 12.025 -4.278 1.00 0.00 N ATOM 1589 CA GLY A 101 0.869 12.968 -3.652 1.00 0.00 C ATOM 1590 C GLY A 101 -0.513 13.045 -4.326 1.00 0.00 C ATOM 1591 O GLY A 101 -1.001 14.140 -4.616 1.00 0.00 O ATOM 0 H GLY A 101 2.543 12.500 -4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.733 12.685 -2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.316 13.962 -3.657 1.00 0.00 H new ATOM 1595 N ASP A 102 -1.133 11.897 -4.609 1.00 0.00 N ATOM 1596 CA ASP A 102 -2.478 11.781 -5.191 1.00 0.00 C ATOM 1597 C ASP A 102 -3.601 12.278 -4.257 1.00 0.00 C ATOM 1598 O ASP A 102 -3.428 12.411 -3.039 1.00 0.00 O ATOM 1599 CB ASP A 102 -2.765 10.318 -5.568 1.00 0.00 C ATOM 1600 CG ASP A 102 -1.897 9.816 -6.733 1.00 0.00 C ATOM 1601 OD1 ASP A 102 -1.085 8.880 -6.528 1.00 0.00 O ATOM 1602 OD2 ASP A 102 -2.068 10.319 -7.871 1.00 0.00 O ATOM 0 H ASP A 102 -0.700 10.990 -4.434 1.00 0.00 H new ATOM 0 HA ASP A 102 -2.478 12.422 -6.072 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -2.596 9.684 -4.697 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -3.817 10.217 -5.836 1.00 0.00 H new ATOM 1607 N LEU A 103 -4.790 12.498 -4.835 1.00 0.00 N ATOM 1608 CA LEU A 103 -6.033 12.739 -4.094 1.00 0.00 C ATOM 1609 C LEU A 103 -6.475 11.527 -3.245 1.00 0.00 C ATOM 1610 O LEU A 103 -6.061 10.389 -3.485 1.00 0.00 O ATOM 1611 CB LEU A 103 -7.140 13.208 -5.066 1.00 0.00 C ATOM 1612 CG LEU A 103 -7.971 12.112 -5.769 1.00 0.00 C ATOM 1613 CD1 LEU A 103 -9.075 12.766 -6.599 1.00 0.00 C ATOM 1614 CD2 LEU A 103 -7.142 11.227 -6.700 1.00 0.00 C ATOM 0 H LEU A 103 -4.916 12.513 -5.847 1.00 0.00 H new ATOM 0 HA LEU A 103 -5.842 13.535 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.826 13.850 -4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.676 13.825 -5.835 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.376 11.479 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.662 11.994 -7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.723 13.351 -5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.628 13.420 -7.348 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.787 10.479 -7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.687 11.842 -7.477 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.360 10.728 -6.127 1.00 0.00 H new ATOM 1626 N ALA A 104 -7.370 11.775 -2.285 1.00 0.00 N ATOM 1627 CA ALA A 104 -7.985 10.746 -1.434 1.00 0.00 C ATOM 1628 C ALA A 104 -9.472 11.041 -1.112 1.00 0.00 C ATOM 1629 O ALA A 104 -9.989 10.640 -0.067 1.00 0.00 O ATOM 1630 CB ALA A 104 -7.107 10.574 -0.185 1.00 0.00 C ATOM 0 H ALA A 104 -7.696 12.717 -2.071 1.00 0.00 H new ATOM 0 HA ALA A 104 -8.022 9.799 -1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.543 9.814 0.464 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.105 10.265 -0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.049 11.521 0.352 1.00 0.00 H new ATOM 1636 N HIS A 105 -10.155 11.778 -1.999 1.00 0.00 N ATOM 1637 CA HIS A 105 -11.437 12.442 -1.703 1.00 0.00 C ATOM 1638 C HIS A 105 -12.622 11.464 -1.638 1.00 0.00 C ATOM 1639 O HIS A 105 -13.437 11.538 -0.718 1.00 0.00 O ATOM 1640 CB HIS A 105 -11.696 13.544 -2.747 1.00 0.00 C ATOM 1641 CG HIS A 105 -10.607 14.589 -2.889 1.00 0.00 C ATOM 1642 ND1 HIS A 105 -9.528 14.802 -2.021 1.00 0.00 N ATOM 1643 CD2 HIS A 105 -10.525 15.492 -3.910 1.00 0.00 C ATOM 1644 CE1 HIS A 105 -8.831 15.831 -2.536 1.00 0.00 C ATOM 1645 NE2 HIS A 105 -9.406 16.261 -3.672 1.00 0.00 N ATOM 0 H HIS A 105 -9.831 11.933 -2.954 1.00 0.00 H new ATOM 0 HA HIS A 105 -11.355 12.883 -0.709 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -11.847 13.071 -3.717 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -12.627 14.050 -2.490 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -11.206 15.586 -4.743 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -7.937 16.251 -2.099 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -9.072 17.026 -4.258 1.00 0.00 H new ATOM 1653 N ASP A 106 -12.690 10.527 -2.591 1.00 0.00 N ATOM 1654 CA ASP A 106 -13.715 9.471 -2.690 1.00 0.00 C ATOM 1655 C ASP A 106 -13.095 8.102 -3.073 1.00 0.00 C ATOM 1656 O ASP A 106 -13.750 7.231 -3.650 1.00 0.00 O ATOM 1657 CB ASP A 106 -14.818 9.907 -3.674 1.00 0.00 C ATOM 1658 CG ASP A 106 -15.628 11.113 -3.167 1.00 0.00 C ATOM 1659 OD1 ASP A 106 -16.539 10.919 -2.324 1.00 0.00 O ATOM 1660 OD2 ASP A 106 -15.404 12.252 -3.647 1.00 0.00 O ATOM 0 H ASP A 106 -12.007 10.478 -3.347 1.00 0.00 H new ATOM 0 HA ASP A 106 -14.169 9.332 -1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -14.364 10.157 -4.633 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -15.493 9.070 -3.850 1.00 0.00 H new ATOM 1665 N GLU A 107 -11.801 7.919 -2.786 1.00 0.00 N ATOM 1666 CA GLU A 107 -10.995 6.798 -3.298 1.00 0.00 C ATOM 1667 C GLU A 107 -11.192 5.479 -2.526 1.00 0.00 C ATOM 1668 O GLU A 107 -11.084 4.398 -3.118 1.00 0.00 O ATOM 1669 CB GLU A 107 -9.510 7.195 -3.294 1.00 0.00 C ATOM 1670 CG GLU A 107 -9.165 8.364 -4.230 1.00 0.00 C ATOM 1671 CD GLU A 107 -9.545 8.076 -5.696 1.00 0.00 C ATOM 1672 OE1 GLU A 107 -8.917 7.194 -6.332 1.00 0.00 O ATOM 1673 OE2 GLU A 107 -10.474 8.731 -6.229 1.00 0.00 O ATOM 0 H GLU A 107 -11.275 8.552 -2.184 1.00 0.00 H new ATOM 0 HA GLU A 107 -11.342 6.603 -4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.220 7.461 -2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.914 6.328 -3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.684 9.261 -3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.097 8.572 -4.169 1.00 0.00 H new ATOM 1680 N PHE A 108 -11.493 5.568 -1.223 1.00 0.00 N ATOM 1681 CA PHE A 108 -11.648 4.443 -0.285 1.00 0.00 C ATOM 1682 C PHE A 108 -12.818 4.662 0.694 1.00 0.00 C ATOM 1683 O PHE A 108 -12.927 5.761 1.289 1.00 0.00 O ATOM 1684 CB PHE A 108 -10.327 4.210 0.470 1.00 0.00 C ATOM 1685 CG PHE A 108 -9.150 3.814 -0.407 1.00 0.00 C ATOM 1686 CD1 PHE A 108 -8.269 4.797 -0.902 1.00 0.00 C ATOM 1687 CD2 PHE A 108 -8.940 2.461 -0.739 1.00 0.00 C ATOM 1688 CE1 PHE A 108 -7.185 4.429 -1.719 1.00 0.00 C ATOM 1689 CE2 PHE A 108 -7.855 2.093 -1.556 1.00 0.00 C ATOM 1690 CZ PHE A 108 -6.977 3.077 -2.045 1.00 0.00 C ATOM 0 H PHE A 108 -11.643 6.470 -0.771 1.00 0.00 H new ATOM 0 HA PHE A 108 -11.890 3.551 -0.863 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -10.069 5.121 1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -10.484 3.431 1.216 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -8.427 5.836 -0.653 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -9.614 1.704 -0.365 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -6.512 5.185 -2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -7.696 1.055 -1.808 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.143 2.794 -2.671 1.00 0.00 H new TER 1700 PHE A 108