USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 937 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 87 THR OG1 : rot -72:sc= 1.04 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0.893 USER MOD Set 2.1: A 84 SER OG : rot -91:sc= 0.527 USER MOD Set 2.2: A 86 TYR OH : rot 95:sc= 2.74 USER MOD Set 3.1: A 44 THR OG1 : rot 122:sc= -0.512 USER MOD Set 3.2: A 46 GLN : amide:sc= 0.79 K(o=0.67,f=-0.73) USER MOD Set 3.3: A 68 SER OG : rot 180:sc= 0.394 USER MOD Set 4.1: A 17 TYR OH : rot 70:sc= 1.22 USER MOD Set 4.2: A 22 CYS SG : rot 180:sc= -0.445 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -140:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.17) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -109:sc= 0.498 (180deg=-0.0116) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.06) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.484 USER MOD Single : A 49 GLN : amide:sc= 1.02 K(o=1,f=-0.21) USER MOD Single : A 52 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.3) USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0473) USER MOD Single : A 65 THR OG1 : rot 40:sc= -0.784 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0984 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0665 USER MOD Single : A 73 GLN : amide:sc= -4.22! C(o=-4.2!,f=-10!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.533 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot -26:sc= -0.0426 USER MOD Single : A 106 LYS NZ :NH3+ -143:sc= 1.2 (180deg=0.884) USER MOD Single : A 110 HIS : no HD1:sc= 0.435 K(o=0.43,f=-8.3!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.187 3.924 -3.434 1.00 0.00 N ATOM 2 CA ALA A 1 13.743 4.119 -3.430 1.00 0.00 C ATOM 3 C ALA A 1 13.441 5.591 -3.594 1.00 0.00 C ATOM 4 O ALA A 1 13.916 6.417 -2.817 1.00 0.00 O ATOM 5 CB ALA A 1 13.141 3.600 -2.134 1.00 0.00 C ATOM 0 H1 ALA A 1 15.401 2.913 -3.321 1.00 0.00 H new ATOM 0 H2 ALA A 1 15.581 4.263 -4.335 1.00 0.00 H new ATOM 0 H3 ALA A 1 15.611 4.457 -2.648 1.00 0.00 H new ATOM 0 HA ALA A 1 13.302 3.563 -4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 1 12.062 3.753 -2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.355 2.536 -2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 1 13.574 4.138 -1.291 1.00 0.00 H new ATOM 13 N ASP A 2 12.688 5.932 -4.608 1.00 0.00 N ATOM 14 CA ASP A 2 12.340 7.329 -4.844 1.00 0.00 C ATOM 15 C ASP A 2 10.977 7.627 -4.269 1.00 0.00 C ATOM 16 O ASP A 2 10.703 8.748 -3.822 1.00 0.00 O ATOM 17 CB ASP A 2 12.372 7.690 -6.338 1.00 0.00 C ATOM 18 CG ASP A 2 13.731 7.502 -6.977 1.00 0.00 C ATOM 19 OD1 ASP A 2 14.690 8.206 -6.608 1.00 0.00 O ATOM 20 OD2 ASP A 2 13.869 6.642 -7.880 1.00 0.00 O ATOM 0 H ASP A 2 12.301 5.274 -5.285 1.00 0.00 H new ATOM 0 HA ASP A 2 13.090 7.941 -4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.643 7.077 -6.867 1.00 0.00 H new ATOM 0 HB3 ASP A 2 12.063 8.728 -6.459 1.00 0.00 H new ATOM 25 N GLU A 3 10.131 6.629 -4.257 1.00 0.00 N ATOM 26 CA GLU A 3 8.789 6.763 -3.734 1.00 0.00 C ATOM 27 C GLU A 3 8.695 6.028 -2.389 1.00 0.00 C ATOM 28 O GLU A 3 8.720 4.807 -2.341 1.00 0.00 O ATOM 29 CB GLU A 3 7.785 6.204 -4.745 1.00 0.00 C ATOM 30 CG GLU A 3 7.821 6.901 -6.100 1.00 0.00 C ATOM 31 CD GLU A 3 6.997 6.189 -7.149 1.00 0.00 C ATOM 32 OE1 GLU A 3 7.483 5.191 -7.723 1.00 0.00 O ATOM 33 OE2 GLU A 3 5.857 6.616 -7.447 1.00 0.00 O ATOM 0 H GLU A 3 10.350 5.697 -4.610 1.00 0.00 H new ATOM 0 HA GLU A 3 8.553 7.814 -3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 3 7.982 5.142 -4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 3 6.781 6.289 -4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 3 7.455 7.921 -5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 3 8.854 6.969 -6.441 1.00 0.00 H new ATOM 40 N PRO A 4 8.628 6.772 -1.267 1.00 0.00 N ATOM 41 CA PRO A 4 8.615 6.176 0.072 1.00 0.00 C ATOM 42 C PRO A 4 7.234 5.652 0.521 1.00 0.00 C ATOM 43 O PRO A 4 7.126 4.969 1.540 1.00 0.00 O ATOM 44 CB PRO A 4 9.085 7.319 0.975 1.00 0.00 C ATOM 45 CG PRO A 4 8.670 8.573 0.272 1.00 0.00 C ATOM 46 CD PRO A 4 8.598 8.251 -1.214 1.00 0.00 C ATOM 0 HA PRO A 4 9.246 5.288 0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.629 7.253 1.963 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.165 7.288 1.119 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.703 8.918 0.639 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.386 9.374 0.458 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.688 8.647 -1.664 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.437 8.686 -1.757 1.00 0.00 H new ATOM 54 N ALA A 5 6.182 5.989 -0.205 1.00 0.00 N ATOM 55 CA ALA A 5 4.845 5.495 0.144 1.00 0.00 C ATOM 56 C ALA A 5 4.555 4.207 -0.592 1.00 0.00 C ATOM 57 O ALA A 5 3.729 3.399 -0.172 1.00 0.00 O ATOM 58 CB ALA A 5 3.774 6.520 -0.179 1.00 0.00 C ATOM 0 H ALA A 5 6.216 6.592 -1.027 1.00 0.00 H new ATOM 0 HA ALA A 5 4.830 5.312 1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.796 6.122 0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.963 7.434 0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.793 6.742 -1.246 1.00 0.00 H new ATOM 64 N TYR A 6 5.256 4.007 -1.665 1.00 0.00 N ATOM 65 CA TYR A 6 5.074 2.872 -2.521 1.00 0.00 C ATOM 66 C TYR A 6 6.341 2.597 -3.286 1.00 0.00 C ATOM 67 O TYR A 6 6.697 3.339 -4.181 1.00 0.00 O ATOM 68 CB TYR A 6 3.844 3.048 -3.464 1.00 0.00 C ATOM 69 CG TYR A 6 3.433 4.497 -3.760 1.00 0.00 C ATOM 70 CD1 TYR A 6 4.231 5.348 -4.509 1.00 0.00 C ATOM 71 CD2 TYR A 6 2.229 4.994 -3.282 1.00 0.00 C ATOM 72 CE1 TYR A 6 3.841 6.651 -4.771 1.00 0.00 C ATOM 73 CE2 TYR A 6 1.838 6.293 -3.541 1.00 0.00 C ATOM 74 CZ TYR A 6 2.643 7.114 -4.282 1.00 0.00 C ATOM 75 OH TYR A 6 2.246 8.411 -4.537 1.00 0.00 O ATOM 0 H TYR A 6 5.989 4.643 -1.979 1.00 0.00 H new ATOM 0 HA TYR A 6 4.857 2.003 -1.900 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.061 2.551 -4.410 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.993 2.532 -3.020 1.00 0.00 H new ATOM 0 HD1 TYR A 6 5.173 4.989 -4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.586 4.353 -2.697 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.475 7.300 -5.357 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.897 6.660 -3.159 1.00 0.00 H new ATOM 0 HH TYR A 6 1.375 8.574 -4.120 1.00 0.00 H new ATOM 85 N LEU A 7 7.041 1.552 -2.881 1.00 0.00 N ATOM 86 CA LEU A 7 8.302 1.166 -3.509 1.00 0.00 C ATOM 87 C LEU A 7 8.062 0.604 -4.918 1.00 0.00 C ATOM 88 O LEU A 7 6.927 0.585 -5.416 1.00 0.00 O ATOM 89 CB LEU A 7 9.056 0.137 -2.641 1.00 0.00 C ATOM 90 CG LEU A 7 9.323 0.531 -1.180 1.00 0.00 C ATOM 91 CD1 LEU A 7 10.059 -0.584 -0.454 1.00 0.00 C ATOM 92 CD2 LEU A 7 10.107 1.831 -1.094 1.00 0.00 C ATOM 0 H LEU A 7 6.757 0.946 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 7 8.920 2.060 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.487 -0.793 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.014 -0.073 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 7 8.360 0.688 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.240 -0.288 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.454 -1.491 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.011 -0.774 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.280 2.083 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.064 1.713 -1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.540 2.630 -1.571 1.00 0.00 H new ATOM 104 N THR A 8 9.107 0.125 -5.539 1.00 0.00 N ATOM 105 CA THR A 8 9.046 -0.287 -6.909 1.00 0.00 C ATOM 106 C THR A 8 9.683 -1.654 -7.142 1.00 0.00 C ATOM 107 O THR A 8 10.475 -2.140 -6.320 1.00 0.00 O ATOM 108 CB THR A 8 9.708 0.785 -7.788 1.00 0.00 C ATOM 109 OG1 THR A 8 10.931 1.245 -7.157 1.00 0.00 O ATOM 110 CG2 THR A 8 8.766 1.949 -7.970 1.00 0.00 C ATOM 0 H THR A 8 10.023 0.011 -5.106 1.00 0.00 H new ATOM 0 HA THR A 8 7.996 -0.393 -7.182 1.00 0.00 H new ATOM 0 HB THR A 8 9.942 0.355 -8.762 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.353 1.927 -7.720 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.240 2.707 -8.594 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.850 1.604 -8.450 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.526 2.378 -6.997 1.00 0.00 H new ATOM 118 N VAL A 9 9.331 -2.259 -8.256 1.00 0.00 N ATOM 119 CA VAL A 9 9.823 -3.563 -8.642 1.00 0.00 C ATOM 120 C VAL A 9 11.286 -3.458 -9.080 1.00 0.00 C ATOM 121 O VAL A 9 11.644 -2.585 -9.887 1.00 0.00 O ATOM 122 CB VAL A 9 8.977 -4.153 -9.811 1.00 0.00 C ATOM 123 CG1 VAL A 9 9.462 -5.531 -10.196 1.00 0.00 C ATOM 124 CG2 VAL A 9 7.503 -4.202 -9.452 1.00 0.00 C ATOM 0 H VAL A 9 8.684 -1.851 -8.930 1.00 0.00 H new ATOM 0 HA VAL A 9 9.741 -4.226 -7.781 1.00 0.00 H new ATOM 0 HB VAL A 9 9.103 -3.490 -10.667 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.852 -5.916 -11.014 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.503 -5.475 -10.515 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.381 -6.198 -9.338 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.939 -4.618 -10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.364 -4.829 -8.571 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.147 -3.194 -9.240 1.00 0.00 H new ATOM 134 N GLY A 10 12.124 -4.314 -8.536 1.00 0.00 N ATOM 135 CA GLY A 10 13.514 -4.306 -8.903 1.00 0.00 C ATOM 136 C GLY A 10 14.418 -4.290 -7.705 1.00 0.00 C ATOM 137 O GLY A 10 15.571 -4.714 -7.783 1.00 0.00 O ATOM 0 H GLY A 10 11.865 -5.017 -7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.733 -5.185 -9.509 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.719 -3.433 -9.522 1.00 0.00 H new ATOM 141 N THR A 11 13.911 -3.807 -6.600 1.00 0.00 N ATOM 142 CA THR A 11 14.665 -3.727 -5.402 1.00 0.00 C ATOM 143 C THR A 11 14.619 -5.075 -4.679 1.00 0.00 C ATOM 144 O THR A 11 13.598 -5.786 -4.735 1.00 0.00 O ATOM 145 CB THR A 11 14.036 -2.643 -4.510 1.00 0.00 C ATOM 146 OG1 THR A 11 13.853 -1.455 -5.292 1.00 0.00 O ATOM 147 CG2 THR A 11 14.922 -2.322 -3.330 1.00 0.00 C ATOM 0 H THR A 11 12.956 -3.459 -6.518 1.00 0.00 H new ATOM 0 HA THR A 11 15.703 -3.478 -5.624 1.00 0.00 H new ATOM 0 HB THR A 11 13.083 -3.012 -4.132 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.451 -0.756 -4.735 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.450 -1.553 -2.719 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.070 -3.221 -2.731 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.886 -1.961 -3.687 1.00 0.00 H new ATOM 155 N ASP A 12 15.715 -5.462 -4.081 1.00 0.00 N ATOM 156 CA ASP A 12 15.707 -6.625 -3.238 1.00 0.00 C ATOM 157 C ASP A 12 15.623 -6.132 -1.819 1.00 0.00 C ATOM 158 O ASP A 12 16.267 -5.151 -1.452 1.00 0.00 O ATOM 159 CB ASP A 12 16.923 -7.580 -3.447 1.00 0.00 C ATOM 160 CG ASP A 12 18.249 -7.082 -2.903 1.00 0.00 C ATOM 161 OD1 ASP A 12 18.576 -7.374 -1.729 1.00 0.00 O ATOM 162 OD2 ASP A 12 19.009 -6.432 -3.651 1.00 0.00 O ATOM 0 H ASP A 12 16.617 -4.993 -4.162 1.00 0.00 H new ATOM 0 HA ASP A 12 14.848 -7.243 -3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 12 16.695 -8.537 -2.978 1.00 0.00 H new ATOM 0 HB3 ASP A 12 17.036 -7.767 -4.515 1.00 0.00 H new ATOM 167 N VAL A 13 14.792 -6.743 -1.065 1.00 0.00 N ATOM 168 CA VAL A 13 14.531 -6.358 0.289 1.00 0.00 C ATOM 169 C VAL A 13 14.703 -7.536 1.183 1.00 0.00 C ATOM 170 O VAL A 13 14.712 -8.658 0.729 1.00 0.00 O ATOM 171 CB VAL A 13 13.102 -5.792 0.460 1.00 0.00 C ATOM 172 CG1 VAL A 13 12.971 -4.463 -0.250 1.00 0.00 C ATOM 173 CG2 VAL A 13 12.075 -6.775 -0.076 1.00 0.00 C ATOM 0 H VAL A 13 14.252 -7.552 -1.372 1.00 0.00 H new ATOM 0 HA VAL A 13 15.239 -5.573 0.554 1.00 0.00 H new ATOM 0 HB VAL A 13 12.918 -5.639 1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.959 -4.079 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.685 -3.754 0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.174 -4.597 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.075 -6.362 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.261 -6.954 -1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.152 -7.715 0.470 1.00 0.00 H new ATOM 183 N SER A 14 14.872 -7.298 2.432 1.00 0.00 N ATOM 184 CA SER A 14 14.948 -8.372 3.341 1.00 0.00 C ATOM 185 C SER A 14 13.606 -8.485 4.004 1.00 0.00 C ATOM 186 O SER A 14 13.107 -7.524 4.543 1.00 0.00 O ATOM 187 CB SER A 14 16.082 -8.164 4.333 1.00 0.00 C ATOM 188 OG SER A 14 17.328 -8.047 3.648 1.00 0.00 O ATOM 0 H SER A 14 14.960 -6.369 2.844 1.00 0.00 H new ATOM 0 HA SER A 14 15.178 -9.308 2.831 1.00 0.00 H new ATOM 0 HB2 SER A 14 15.898 -7.265 4.922 1.00 0.00 H new ATOM 0 HB3 SER A 14 16.121 -9.000 5.031 1.00 0.00 H new ATOM 0 HG SER A 14 18.022 -8.525 4.148 1.00 0.00 H new ATOM 194 N ALA A 15 13.030 -9.616 3.917 1.00 0.00 N ATOM 195 CA ALA A 15 11.710 -9.862 4.402 1.00 0.00 C ATOM 196 C ALA A 15 11.807 -10.689 5.640 1.00 0.00 C ATOM 197 O ALA A 15 12.412 -11.771 5.620 1.00 0.00 O ATOM 198 CB ALA A 15 10.993 -10.650 3.350 1.00 0.00 C ATOM 0 H ALA A 15 13.469 -10.434 3.493 1.00 0.00 H new ATOM 0 HA ALA A 15 11.187 -8.931 4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.976 -10.860 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.961 -10.076 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.519 -11.589 3.177 1.00 0.00 H new ATOM 204 N LYS A 16 11.287 -10.176 6.726 1.00 0.00 N ATOM 205 CA LYS A 16 11.266 -10.921 7.938 1.00 0.00 C ATOM 206 C LYS A 16 10.103 -11.862 7.870 1.00 0.00 C ATOM 207 O LYS A 16 8.942 -11.448 7.941 1.00 0.00 O ATOM 208 CB LYS A 16 11.205 -9.998 9.174 1.00 0.00 C ATOM 209 CG LYS A 16 11.380 -10.736 10.498 1.00 0.00 C ATOM 210 CD LYS A 16 11.560 -9.773 11.665 1.00 0.00 C ATOM 211 CE LYS A 16 11.772 -10.525 12.973 1.00 0.00 C ATOM 212 NZ LYS A 16 12.082 -9.624 14.100 1.00 0.00 N ATOM 0 H LYS A 16 10.875 -9.245 6.786 1.00 0.00 H new ATOM 0 HA LYS A 16 12.189 -11.489 8.049 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.980 -9.237 9.087 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.247 -9.478 9.182 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.510 -11.368 10.679 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.246 -11.396 10.435 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.413 -9.122 11.474 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.683 -9.132 11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.876 -11.099 13.207 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.585 -11.240 12.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.447 -10.181 14.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.800 -8.932 13.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.218 -9.124 14.392 1.00 0.00 H new ATOM 226 N TYR A 17 10.404 -13.110 7.668 1.00 0.00 N ATOM 227 CA TYR A 17 9.396 -14.091 7.538 1.00 0.00 C ATOM 228 C TYR A 17 9.561 -15.150 8.573 1.00 0.00 C ATOM 229 O TYR A 17 10.658 -15.699 8.750 1.00 0.00 O ATOM 230 CB TYR A 17 9.304 -14.666 6.099 1.00 0.00 C ATOM 231 CG TYR A 17 10.503 -15.407 5.530 1.00 0.00 C ATOM 232 CD1 TYR A 17 10.767 -16.746 5.819 1.00 0.00 C ATOM 233 CD2 TYR A 17 11.326 -14.771 4.647 1.00 0.00 C ATOM 234 CE1 TYR A 17 11.840 -17.402 5.228 1.00 0.00 C ATOM 235 CE2 TYR A 17 12.378 -15.402 4.060 1.00 0.00 C ATOM 236 CZ TYR A 17 12.641 -16.717 4.343 1.00 0.00 C ATOM 237 OH TYR A 17 13.732 -17.334 3.752 1.00 0.00 O ATOM 0 H TYR A 17 11.357 -13.465 7.590 1.00 0.00 H new ATOM 0 HA TYR A 17 8.436 -13.606 7.714 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.451 -15.344 6.068 1.00 0.00 H new ATOM 0 HB3 TYR A 17 9.077 -13.839 5.427 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.130 -17.279 6.510 1.00 0.00 H new ATOM 0 HD2 TYR A 17 11.136 -13.735 4.407 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.043 -18.437 5.460 1.00 0.00 H new ATOM 0 HE2 TYR A 17 13.009 -14.864 3.368 1.00 0.00 H new ATOM 0 HH TYR A 17 13.420 -18.009 3.114 1.00 0.00 H new ATOM 247 N ARG A 18 8.495 -15.366 9.324 1.00 0.00 N ATOM 248 CA ARG A 18 8.436 -16.382 10.365 1.00 0.00 C ATOM 249 C ARG A 18 9.488 -16.061 11.456 1.00 0.00 C ATOM 250 O ARG A 18 10.056 -16.947 12.093 1.00 0.00 O ATOM 251 CB ARG A 18 8.647 -17.787 9.749 1.00 0.00 C ATOM 252 CG ARG A 18 8.274 -18.936 10.665 1.00 0.00 C ATOM 253 CD ARG A 18 8.633 -20.280 10.060 1.00 0.00 C ATOM 254 NE ARG A 18 8.229 -21.368 10.948 1.00 0.00 N ATOM 255 CZ ARG A 18 9.005 -22.366 11.386 1.00 0.00 C ATOM 256 NH1 ARG A 18 10.256 -22.492 10.968 1.00 0.00 N ATOM 257 NH2 ARG A 18 8.509 -23.248 12.246 1.00 0.00 N ATOM 0 H ARG A 18 7.631 -14.832 9.227 1.00 0.00 H new ATOM 0 HA ARG A 18 7.452 -16.379 10.835 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.058 -17.861 8.835 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.694 -17.891 9.463 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.785 -18.820 11.620 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.204 -18.904 10.870 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.143 -20.392 9.093 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.707 -20.329 9.881 1.00 0.00 H new ATOM 0 HE ARG A 18 7.260 -21.366 11.265 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.641 -21.822 10.302 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.834 -23.259 11.312 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.545 -23.161 12.567 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.092 -24.013 12.586 1.00 0.00 H new ATOM 271 N GLY A 19 9.736 -14.775 11.653 1.00 0.00 N ATOM 272 CA GLY A 19 10.627 -14.330 12.701 1.00 0.00 C ATOM 273 C GLY A 19 12.069 -14.106 12.272 1.00 0.00 C ATOM 274 O GLY A 19 12.881 -13.671 13.081 1.00 0.00 O ATOM 0 H GLY A 19 9.329 -14.023 11.096 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.239 -13.399 13.115 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.614 -15.066 13.504 1.00 0.00 H new ATOM 278 N ALA A 20 12.402 -14.389 11.034 1.00 0.00 N ATOM 279 CA ALA A 20 13.770 -14.178 10.567 1.00 0.00 C ATOM 280 C ALA A 20 13.763 -13.543 9.193 1.00 0.00 C ATOM 281 O ALA A 20 13.001 -13.962 8.323 1.00 0.00 O ATOM 282 CB ALA A 20 14.533 -15.498 10.543 1.00 0.00 C ATOM 0 H ALA A 20 11.761 -14.761 10.333 1.00 0.00 H new ATOM 0 HA ALA A 20 14.274 -13.502 11.258 1.00 0.00 H new ATOM 0 HB1 ALA A 20 15.550 -15.324 10.193 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.562 -15.920 11.548 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.032 -16.195 9.871 1.00 0.00 H new ATOM 288 N PHE A 21 14.584 -12.536 8.983 1.00 0.00 N ATOM 289 CA PHE A 21 14.615 -11.883 7.692 1.00 0.00 C ATOM 290 C PHE A 21 15.619 -12.484 6.762 1.00 0.00 C ATOM 291 O PHE A 21 16.738 -12.827 7.156 1.00 0.00 O ATOM 292 CB PHE A 21 14.724 -10.335 7.758 1.00 0.00 C ATOM 293 CG PHE A 21 15.886 -9.769 8.522 1.00 0.00 C ATOM 294 CD1 PHE A 21 17.152 -9.715 7.963 1.00 0.00 C ATOM 295 CD2 PHE A 21 15.701 -9.260 9.788 1.00 0.00 C ATOM 296 CE1 PHE A 21 18.206 -9.170 8.660 1.00 0.00 C ATOM 297 CE2 PHE A 21 16.753 -8.715 10.493 1.00 0.00 C ATOM 298 CZ PHE A 21 18.008 -8.670 9.928 1.00 0.00 C ATOM 0 H PHE A 21 15.229 -12.157 9.677 1.00 0.00 H new ATOM 0 HA PHE A 21 13.631 -12.079 7.265 1.00 0.00 H new ATOM 0 HB2 PHE A 21 14.771 -9.954 6.738 1.00 0.00 H new ATOM 0 HB3 PHE A 21 13.806 -9.949 8.201 1.00 0.00 H new ATOM 0 HD1 PHE A 21 17.314 -10.105 6.969 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.718 -9.288 10.235 1.00 0.00 H new ATOM 0 HE1 PHE A 21 19.188 -9.134 8.213 1.00 0.00 H new ATOM 0 HE2 PHE A 21 16.593 -8.324 11.487 1.00 0.00 H new ATOM 0 HZ PHE A 21 18.834 -8.244 10.477 1.00 0.00 H new ATOM 308 N CYS A 22 15.196 -12.660 5.551 1.00 0.00 N ATOM 309 CA CYS A 22 16.035 -13.169 4.519 1.00 0.00 C ATOM 310 C CYS A 22 15.809 -12.308 3.291 1.00 0.00 C ATOM 311 O CYS A 22 14.819 -11.570 3.250 1.00 0.00 O ATOM 312 CB CYS A 22 15.668 -14.624 4.272 1.00 0.00 C ATOM 313 SG CYS A 22 16.646 -15.482 3.021 1.00 0.00 S ATOM 0 H CYS A 22 14.244 -12.451 5.249 1.00 0.00 H new ATOM 0 HA CYS A 22 17.091 -13.135 4.786 1.00 0.00 H new ATOM 0 HB2 CYS A 22 15.760 -15.167 5.213 1.00 0.00 H new ATOM 0 HB3 CYS A 22 14.619 -14.669 3.979 1.00 0.00 H new ATOM 0 HG CYS A 22 16.231 -16.709 2.913 1.00 0.00 H new ATOM 319 N GLU A 23 16.702 -12.358 2.322 1.00 0.00 N ATOM 320 CA GLU A 23 16.564 -11.515 1.161 1.00 0.00 C ATOM 321 C GLU A 23 15.431 -12.017 0.269 1.00 0.00 C ATOM 322 O GLU A 23 15.138 -13.231 0.203 1.00 0.00 O ATOM 323 CB GLU A 23 17.874 -11.401 0.369 1.00 0.00 C ATOM 324 CG GLU A 23 18.251 -12.648 -0.402 1.00 0.00 C ATOM 325 CD GLU A 23 19.559 -12.506 -1.133 1.00 0.00 C ATOM 326 OE1 GLU A 23 19.602 -11.822 -2.181 1.00 0.00 O ATOM 327 OE2 GLU A 23 20.571 -13.060 -0.667 1.00 0.00 O ATOM 0 H GLU A 23 17.520 -12.967 2.318 1.00 0.00 H new ATOM 0 HA GLU A 23 16.317 -10.513 1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 23 17.790 -10.568 -0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 23 18.682 -11.158 1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 23 18.314 -13.491 0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.463 -12.880 -1.118 1.00 0.00 H new ATOM 334 N ALA A 24 14.796 -11.093 -0.357 1.00 0.00 N ATOM 335 CA ALA A 24 13.706 -11.335 -1.235 1.00 0.00 C ATOM 336 C ALA A 24 13.709 -10.291 -2.316 1.00 0.00 C ATOM 337 O ALA A 24 14.122 -9.167 -2.085 1.00 0.00 O ATOM 338 CB ALA A 24 12.407 -11.273 -0.471 1.00 0.00 C ATOM 0 H ALA A 24 15.031 -10.104 -0.268 1.00 0.00 H new ATOM 0 HA ALA A 24 13.806 -12.326 -1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.576 -11.460 -1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.410 -12.029 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.295 -10.286 -0.023 1.00 0.00 H new ATOM 344 N LYS A 25 13.272 -10.639 -3.470 1.00 0.00 N ATOM 345 CA LYS A 25 13.254 -9.694 -4.558 1.00 0.00 C ATOM 346 C LYS A 25 11.820 -9.357 -4.942 1.00 0.00 C ATOM 347 O LYS A 25 10.989 -10.252 -5.099 1.00 0.00 O ATOM 348 CB LYS A 25 14.061 -10.223 -5.747 1.00 0.00 C ATOM 349 CG LYS A 25 14.193 -9.243 -6.906 1.00 0.00 C ATOM 350 CD LYS A 25 15.117 -9.792 -7.976 1.00 0.00 C ATOM 351 CE LYS A 25 15.259 -8.837 -9.143 1.00 0.00 C ATOM 352 NZ LYS A 25 16.229 -9.331 -10.139 1.00 0.00 N ATOM 0 H LYS A 25 12.919 -11.568 -3.700 1.00 0.00 H new ATOM 0 HA LYS A 25 13.731 -8.769 -4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.059 -10.494 -5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.591 -11.136 -6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.210 -9.046 -7.335 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.578 -8.291 -6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.099 -9.986 -7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.732 -10.747 -8.333 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.288 -8.697 -9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.578 -7.861 -8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 16.299 -8.651 -10.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.161 -9.440 -9.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.911 -10.251 -10.506 1.00 0.00 H new ATOM 366 N ILE A 26 11.533 -8.068 -5.048 1.00 0.00 N ATOM 367 CA ILE A 26 10.194 -7.577 -5.373 1.00 0.00 C ATOM 368 C ILE A 26 9.783 -8.003 -6.780 1.00 0.00 C ATOM 369 O ILE A 26 10.457 -7.673 -7.754 1.00 0.00 O ATOM 370 CB ILE A 26 10.109 -6.024 -5.259 1.00 0.00 C ATOM 371 CG1 ILE A 26 10.552 -5.559 -3.857 1.00 0.00 C ATOM 372 CG2 ILE A 26 8.690 -5.544 -5.558 1.00 0.00 C ATOM 373 CD1 ILE A 26 10.514 -4.059 -3.647 1.00 0.00 C ATOM 0 H ILE A 26 12.221 -7.328 -4.911 1.00 0.00 H new ATOM 0 HA ILE A 26 9.510 -8.018 -4.648 1.00 0.00 H new ATOM 0 HB ILE A 26 10.784 -5.587 -5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.912 -6.033 -3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 26 11.567 -5.912 -3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.648 -4.458 -5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.411 -5.841 -6.569 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.997 -5.990 -4.845 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.841 -3.825 -2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 26 11.177 -3.574 -4.364 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.496 -3.697 -3.792 1.00 0.00 H new ATOM 385 N LYS A 27 8.705 -8.756 -6.861 1.00 0.00 N ATOM 386 CA LYS A 27 8.146 -9.213 -8.127 1.00 0.00 C ATOM 387 C LYS A 27 7.049 -8.266 -8.531 1.00 0.00 C ATOM 388 O LYS A 27 7.008 -7.762 -9.643 1.00 0.00 O ATOM 389 CB LYS A 27 7.499 -10.592 -7.945 1.00 0.00 C ATOM 390 CG LYS A 27 8.398 -11.679 -7.408 1.00 0.00 C ATOM 391 CD LYS A 27 9.123 -12.483 -8.508 1.00 0.00 C ATOM 392 CE LYS A 27 10.102 -11.669 -9.348 1.00 0.00 C ATOM 393 NZ LYS A 27 10.834 -12.530 -10.308 1.00 0.00 N ATOM 0 H LYS A 27 8.183 -9.074 -6.044 1.00 0.00 H new ATOM 0 HA LYS A 27 8.941 -9.259 -8.871 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.648 -10.486 -7.272 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.105 -10.917 -8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.141 -11.231 -6.748 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.804 -12.363 -6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.663 -13.307 -8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.377 -12.924 -9.169 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.561 -10.894 -9.891 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.813 -11.164 -8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.492 -11.948 -10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.368 -13.254 -9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.156 -12.992 -10.947 1.00 0.00 H new ATOM 407 N THR A 28 6.160 -8.041 -7.607 1.00 0.00 N ATOM 408 CA THR A 28 5.000 -7.225 -7.853 1.00 0.00 C ATOM 409 C THR A 28 4.794 -6.210 -6.740 1.00 0.00 C ATOM 410 O THR A 28 5.072 -6.485 -5.566 1.00 0.00 O ATOM 411 CB THR A 28 3.754 -8.122 -7.950 1.00 0.00 C ATOM 412 OG1 THR A 28 3.960 -9.139 -8.956 1.00 0.00 O ATOM 413 CG2 THR A 28 2.484 -7.320 -8.263 1.00 0.00 C ATOM 0 H THR A 28 6.216 -8.417 -6.660 1.00 0.00 H new ATOM 0 HA THR A 28 5.155 -6.688 -8.789 1.00 0.00 H new ATOM 0 HB THR A 28 3.609 -8.590 -6.976 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.165 -9.709 -9.013 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.632 -7.997 -8.322 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.312 -6.588 -7.474 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.605 -6.805 -9.216 1.00 0.00 H new ATOM 421 N VAL A 29 4.317 -5.059 -7.129 1.00 0.00 N ATOM 422 CA VAL A 29 3.971 -3.990 -6.243 1.00 0.00 C ATOM 423 C VAL A 29 2.527 -3.649 -6.458 1.00 0.00 C ATOM 424 O VAL A 29 2.134 -3.174 -7.523 1.00 0.00 O ATOM 425 CB VAL A 29 4.821 -2.716 -6.462 1.00 0.00 C ATOM 426 CG1 VAL A 29 4.381 -1.601 -5.525 1.00 0.00 C ATOM 427 CG2 VAL A 29 6.263 -3.027 -6.240 1.00 0.00 C ATOM 0 H VAL A 29 4.154 -4.835 -8.111 1.00 0.00 H new ATOM 0 HA VAL A 29 4.164 -4.332 -5.226 1.00 0.00 H new ATOM 0 HB VAL A 29 4.676 -2.377 -7.488 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.994 -0.717 -5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.335 -1.360 -5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.499 -1.927 -4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.857 -2.127 -6.395 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.405 -3.384 -5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.581 -3.798 -6.942 1.00 0.00 H new ATOM 437 N LYS A 30 1.747 -3.910 -5.479 1.00 0.00 N ATOM 438 CA LYS A 30 0.342 -3.598 -5.544 1.00 0.00 C ATOM 439 C LYS A 30 0.112 -2.301 -4.819 1.00 0.00 C ATOM 440 O LYS A 30 0.079 -2.267 -3.584 1.00 0.00 O ATOM 441 CB LYS A 30 -0.531 -4.724 -4.952 1.00 0.00 C ATOM 442 CG LYS A 30 -2.039 -4.414 -4.928 1.00 0.00 C ATOM 443 CD LYS A 30 -2.835 -5.577 -4.346 1.00 0.00 C ATOM 444 CE LYS A 30 -4.323 -5.246 -4.160 1.00 0.00 C ATOM 445 NZ LYS A 30 -5.031 -4.904 -5.408 1.00 0.00 N ATOM 0 H LYS A 30 2.047 -4.344 -4.606 1.00 0.00 H new ATOM 0 HA LYS A 30 0.048 -3.502 -6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.369 -5.634 -5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.198 -4.928 -3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.218 -3.516 -4.337 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.385 -4.204 -5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.739 -6.442 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.407 -5.859 -3.384 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.818 -6.100 -3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.413 -4.411 -3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.254 -3.888 -5.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.426 -5.131 -6.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.913 -5.452 -5.468 1.00 0.00 H new ATOM 459 N ARG A 31 0.042 -1.230 -5.569 1.00 0.00 N ATOM 460 CA ARG A 31 -0.211 0.071 -4.998 1.00 0.00 C ATOM 461 C ARG A 31 -1.689 0.205 -4.727 1.00 0.00 C ATOM 462 O ARG A 31 -2.468 0.519 -5.625 1.00 0.00 O ATOM 463 CB ARG A 31 0.284 1.200 -5.924 1.00 0.00 C ATOM 464 CG ARG A 31 1.778 1.163 -6.177 1.00 0.00 C ATOM 465 CD ARG A 31 2.249 2.311 -7.063 1.00 0.00 C ATOM 466 NE ARG A 31 3.702 2.252 -7.248 1.00 0.00 N ATOM 467 CZ ARG A 31 4.527 3.300 -7.348 1.00 0.00 C ATOM 468 NH1 ARG A 31 4.056 4.530 -7.539 1.00 0.00 N ATOM 469 NH2 ARG A 31 5.827 3.099 -7.314 1.00 0.00 N ATOM 0 H ARG A 31 0.157 -1.233 -6.582 1.00 0.00 H new ATOM 0 HA ARG A 31 0.342 0.163 -4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.240 1.133 -6.878 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.022 2.162 -5.483 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.306 1.204 -5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.040 0.215 -6.646 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.751 2.260 -8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.972 3.264 -6.612 1.00 0.00 H new ATOM 0 HE ARG A 31 4.123 1.325 -7.306 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.051 4.686 -7.612 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.700 5.317 -7.613 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.194 2.153 -7.212 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.467 3.889 -7.389 1.00 0.00 H new ATOM 483 N LEU A 32 -2.083 -0.101 -3.528 1.00 0.00 N ATOM 484 CA LEU A 32 -3.464 -0.041 -3.178 1.00 0.00 C ATOM 485 C LEU A 32 -3.766 1.180 -2.371 1.00 0.00 C ATOM 486 O LEU A 32 -2.874 1.805 -1.810 1.00 0.00 O ATOM 487 CB LEU A 32 -3.988 -1.352 -2.518 1.00 0.00 C ATOM 488 CG LEU A 32 -3.280 -1.937 -1.286 1.00 0.00 C ATOM 489 CD1 LEU A 32 -3.454 -1.070 -0.071 1.00 0.00 C ATOM 490 CD2 LEU A 32 -3.836 -3.308 -1.004 1.00 0.00 C ATOM 0 H LEU A 32 -1.462 -0.396 -2.774 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.022 0.045 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.028 -1.180 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.986 -2.124 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.214 -1.990 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.937 -1.522 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.036 -0.082 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.515 -0.976 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.338 -3.730 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.906 -3.234 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.666 -3.954 -1.866 1.00 0.00 H new ATOM 502 N VAL A 33 -4.980 1.535 -2.329 1.00 0.00 N ATOM 503 CA VAL A 33 -5.376 2.656 -1.574 1.00 0.00 C ATOM 504 C VAL A 33 -6.186 2.172 -0.413 1.00 0.00 C ATOM 505 O VAL A 33 -7.203 1.506 -0.596 1.00 0.00 O ATOM 506 CB VAL A 33 -6.196 3.682 -2.418 1.00 0.00 C ATOM 507 CG1 VAL A 33 -6.613 4.872 -1.570 1.00 0.00 C ATOM 508 CG2 VAL A 33 -5.388 4.164 -3.615 1.00 0.00 C ATOM 0 H VAL A 33 -5.738 1.058 -2.818 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.484 3.181 -1.233 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.092 3.175 -2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.183 5.572 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.230 4.529 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.725 5.370 -1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.979 4.878 -4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.474 4.646 -3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.132 3.314 -4.247 1.00 0.00 H new ATOM 518 N LYS A 34 -5.705 2.433 0.774 1.00 0.00 N ATOM 519 CA LYS A 34 -6.457 2.127 1.935 1.00 0.00 C ATOM 520 C LYS A 34 -7.410 3.259 2.144 1.00 0.00 C ATOM 521 O LYS A 34 -7.034 4.365 2.595 1.00 0.00 O ATOM 522 CB LYS A 34 -5.594 1.899 3.180 1.00 0.00 C ATOM 523 CG LYS A 34 -4.721 0.651 3.130 1.00 0.00 C ATOM 524 CD LYS A 34 -4.064 0.353 4.488 1.00 0.00 C ATOM 525 CE LYS A 34 -5.112 0.063 5.574 1.00 0.00 C ATOM 526 NZ LYS A 34 -4.511 -0.286 6.875 1.00 0.00 N ATOM 0 H LYS A 34 -4.794 2.857 0.949 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.980 1.183 1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.953 2.769 3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.246 1.835 4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.326 -0.203 2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.947 0.780 2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.396 -0.502 4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.452 1.203 4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.751 0.938 5.698 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.752 -0.755 5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.265 -0.471 7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.923 -1.137 6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.921 0.503 7.208 1.00 0.00 H new ATOM 540 N VAL A 35 -8.600 3.022 1.754 1.00 0.00 N ATOM 541 CA VAL A 35 -9.624 3.978 1.814 1.00 0.00 C ATOM 542 C VAL A 35 -10.243 3.949 3.194 1.00 0.00 C ATOM 543 O VAL A 35 -10.776 2.924 3.629 1.00 0.00 O ATOM 544 CB VAL A 35 -10.703 3.683 0.754 1.00 0.00 C ATOM 545 CG1 VAL A 35 -11.698 4.812 0.678 1.00 0.00 C ATOM 546 CG2 VAL A 35 -10.082 3.429 -0.615 1.00 0.00 C ATOM 0 H VAL A 35 -8.896 2.124 1.371 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.205 4.964 1.613 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.226 2.777 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.451 4.583 -0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.181 4.937 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.183 5.734 0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.870 3.224 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.520 4.309 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.411 2.572 -0.557 1.00 0.00 H new ATOM 556 N LYS A 36 -10.127 5.044 3.884 1.00 0.00 N ATOM 557 CA LYS A 36 -10.711 5.199 5.177 1.00 0.00 C ATOM 558 C LYS A 36 -12.140 5.533 4.954 1.00 0.00 C ATOM 559 O LYS A 36 -12.467 6.625 4.494 1.00 0.00 O ATOM 560 CB LYS A 36 -10.019 6.320 5.945 1.00 0.00 C ATOM 561 CG LYS A 36 -10.476 6.509 7.377 1.00 0.00 C ATOM 562 CD LYS A 36 -9.692 7.631 8.030 1.00 0.00 C ATOM 563 CE LYS A 36 -10.094 7.853 9.471 1.00 0.00 C ATOM 564 NZ LYS A 36 -9.325 8.946 10.094 1.00 0.00 N ATOM 0 H LYS A 36 -9.616 5.864 3.558 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.604 4.289 5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.946 6.127 5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.174 7.255 5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.541 6.738 7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.337 5.584 7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.627 7.401 7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.844 8.552 7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.158 8.084 9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.941 6.934 10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.630 9.066 11.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.311 8.714 10.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.490 9.829 9.570 1.00 0.00 H new ATOM 578 N VAL A 37 -12.963 4.609 5.226 1.00 0.00 N ATOM 579 CA VAL A 37 -14.348 4.732 4.993 1.00 0.00 C ATOM 580 C VAL A 37 -15.084 4.762 6.270 1.00 0.00 C ATOM 581 O VAL A 37 -14.652 4.193 7.275 1.00 0.00 O ATOM 582 CB VAL A 37 -14.916 3.588 4.116 1.00 0.00 C ATOM 583 CG1 VAL A 37 -14.454 3.737 2.688 1.00 0.00 C ATOM 584 CG2 VAL A 37 -14.510 2.227 4.678 1.00 0.00 C ATOM 0 H VAL A 37 -12.689 3.714 5.631 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.484 5.668 4.452 1.00 0.00 H new ATOM 0 HB VAL A 37 -16.004 3.650 4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.863 2.925 2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.800 4.692 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.365 3.702 2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.919 1.437 4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.423 2.151 4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.898 2.121 5.691 1.00 0.00 H new ATOM 594 N LEU A 38 -16.147 5.443 6.231 1.00 0.00 N ATOM 595 CA LEU A 38 -17.053 5.511 7.305 1.00 0.00 C ATOM 596 C LEU A 38 -18.321 4.928 6.779 1.00 0.00 C ATOM 597 O LEU A 38 -18.923 5.469 5.842 1.00 0.00 O ATOM 598 CB LEU A 38 -17.193 6.980 7.769 1.00 0.00 C ATOM 599 CG LEU A 38 -18.129 7.330 8.977 1.00 0.00 C ATOM 600 CD1 LEU A 38 -19.617 7.183 8.643 1.00 0.00 C ATOM 601 CD2 LEU A 38 -17.779 6.497 10.200 1.00 0.00 C ATOM 0 H LEU A 38 -16.429 5.994 5.420 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.732 4.959 8.188 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.194 7.339 8.017 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.537 7.560 6.913 1.00 0.00 H new ATOM 0 HG LEU A 38 -17.954 8.382 9.201 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -20.213 7.439 9.519 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -19.873 7.852 7.821 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -19.824 6.153 8.351 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.444 6.761 11.022 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.895 5.439 9.965 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.747 6.693 10.491 1.00 0.00 H new ATOM 613 N LEU A 39 -18.665 3.786 7.284 1.00 0.00 N ATOM 614 CA LEU A 39 -19.860 3.106 6.841 1.00 0.00 C ATOM 615 C LEU A 39 -21.070 3.861 7.371 1.00 0.00 C ATOM 616 O LEU A 39 -21.183 4.045 8.571 1.00 0.00 O ATOM 617 CB LEU A 39 -19.897 1.664 7.356 1.00 0.00 C ATOM 618 CG LEU A 39 -18.691 0.764 7.062 1.00 0.00 C ATOM 619 CD1 LEU A 39 -18.966 -0.643 7.531 1.00 0.00 C ATOM 620 CD2 LEU A 39 -18.337 0.761 5.597 1.00 0.00 C ATOM 0 H LEU A 39 -18.139 3.296 8.007 1.00 0.00 H new ATOM 0 HA LEU A 39 -19.869 3.078 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -20.032 1.699 8.437 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -20.782 1.183 6.939 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.838 1.168 7.607 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.103 -1.273 7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.155 -0.638 8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -19.840 -1.036 7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.478 0.111 5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -19.185 0.395 5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -18.092 1.775 5.280 1.00 0.00 H new ATOM 632 N LYS A 40 -21.968 4.279 6.497 1.00 0.00 N ATOM 633 CA LYS A 40 -23.114 5.101 6.917 1.00 0.00 C ATOM 634 C LYS A 40 -24.070 4.412 7.901 1.00 0.00 C ATOM 635 O LYS A 40 -24.675 5.078 8.735 1.00 0.00 O ATOM 636 CB LYS A 40 -23.886 5.666 5.720 1.00 0.00 C ATOM 637 CG LYS A 40 -24.365 4.628 4.714 1.00 0.00 C ATOM 638 CD LYS A 40 -25.212 5.253 3.614 1.00 0.00 C ATOM 639 CE LYS A 40 -24.490 6.375 2.886 1.00 0.00 C ATOM 640 NZ LYS A 40 -25.328 6.975 1.832 1.00 0.00 N ATOM 0 H LYS A 40 -21.937 4.071 5.499 1.00 0.00 H new ATOM 0 HA LYS A 40 -22.664 5.927 7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -24.751 6.216 6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -23.250 6.384 5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -23.504 4.128 4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -24.946 3.864 5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -25.495 4.483 2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -26.134 5.640 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -24.200 7.145 3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -23.572 5.989 2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -24.897 7.865 1.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -25.401 6.317 1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -26.278 7.167 2.210 1.00 0.00 H new ATOM 654 N GLN A 41 -24.205 3.103 7.816 1.00 0.00 N ATOM 655 CA GLN A 41 -25.106 2.396 8.691 1.00 0.00 C ATOM 656 C GLN A 41 -24.442 2.061 10.025 1.00 0.00 C ATOM 657 O GLN A 41 -24.922 2.457 11.087 1.00 0.00 O ATOM 658 CB GLN A 41 -25.632 1.138 8.006 1.00 0.00 C ATOM 659 CG GLN A 41 -26.441 0.231 8.907 1.00 0.00 C ATOM 660 CD GLN A 41 -26.890 -1.042 8.213 1.00 0.00 C ATOM 661 OE1 GLN A 41 -27.125 -1.062 7.009 1.00 0.00 O ATOM 662 NE2 GLN A 41 -26.997 -2.114 8.952 1.00 0.00 N ATOM 0 H GLN A 41 -23.703 2.514 7.152 1.00 0.00 H new ATOM 0 HA GLN A 41 -25.951 3.050 8.907 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -26.249 1.432 7.157 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -24.788 0.576 7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -25.845 -0.029 9.782 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -27.317 0.771 9.266 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -26.795 -2.067 9.951 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -27.282 -2.998 8.530 1.00 0.00 H new ATOM 671 N ASP A 42 -23.320 1.378 9.961 1.00 0.00 N ATOM 672 CA ASP A 42 -22.647 0.906 11.166 1.00 0.00 C ATOM 673 C ASP A 42 -21.829 1.968 11.835 1.00 0.00 C ATOM 674 O ASP A 42 -21.566 1.880 13.037 1.00 0.00 O ATOM 675 CB ASP A 42 -21.794 -0.338 10.911 1.00 0.00 C ATOM 676 CG ASP A 42 -22.609 -1.604 10.852 1.00 0.00 C ATOM 677 OD1 ASP A 42 -22.879 -2.192 11.918 1.00 0.00 O ATOM 678 OD2 ASP A 42 -22.990 -2.045 9.759 1.00 0.00 O ATOM 0 H ASP A 42 -22.849 1.134 9.090 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.451 0.632 11.849 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -21.253 -0.216 9.973 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -21.047 -0.429 11.700 1.00 0.00 H new ATOM 683 N ASN A 43 -21.443 2.978 11.075 1.00 0.00 N ATOM 684 CA ASN A 43 -20.622 4.095 11.566 1.00 0.00 C ATOM 685 C ASN A 43 -19.249 3.649 11.995 1.00 0.00 C ATOM 686 O ASN A 43 -18.647 4.217 12.911 1.00 0.00 O ATOM 687 CB ASN A 43 -21.315 4.911 12.666 1.00 0.00 C ATOM 688 CG ASN A 43 -22.312 5.913 12.121 1.00 0.00 C ATOM 689 OD1 ASN A 43 -21.954 7.052 11.813 1.00 0.00 O ATOM 690 ND2 ASN A 43 -23.560 5.528 12.024 1.00 0.00 N ATOM 0 H ASN A 43 -21.688 3.056 10.088 1.00 0.00 H new ATOM 0 HA ASN A 43 -20.497 4.764 10.714 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -21.827 4.231 13.347 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -20.560 5.438 13.250 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -24.269 6.178 11.685 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -23.823 4.578 12.287 1.00 0.00 H new ATOM 697 N THR A 44 -18.739 2.649 11.342 1.00 0.00 N ATOM 698 CA THR A 44 -17.402 2.230 11.584 1.00 0.00 C ATOM 699 C THR A 44 -16.481 2.908 10.633 1.00 0.00 C ATOM 700 O THR A 44 -16.815 3.080 9.447 1.00 0.00 O ATOM 701 CB THR A 44 -17.230 0.720 11.448 1.00 0.00 C ATOM 702 OG1 THR A 44 -18.045 0.217 10.383 1.00 0.00 O ATOM 703 CG2 THR A 44 -17.530 0.020 12.736 1.00 0.00 C ATOM 0 H THR A 44 -19.236 2.108 10.634 1.00 0.00 H new ATOM 0 HA THR A 44 -17.164 2.503 12.612 1.00 0.00 H new ATOM 0 HB THR A 44 -16.187 0.518 11.204 1.00 0.00 H new ATOM 0 HG1 THR A 44 -17.479 -0.239 9.725 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.398 -1.054 12.606 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.852 0.377 13.511 1.00 0.00 H new ATOM 0 HG23 THR A 44 -18.559 0.226 13.031 1.00 0.00 H new ATOM 711 N THR A 45 -15.369 3.318 11.130 1.00 0.00 N ATOM 712 CA THR A 45 -14.387 3.881 10.306 1.00 0.00 C ATOM 713 C THR A 45 -13.304 2.869 10.206 1.00 0.00 C ATOM 714 O THR A 45 -12.840 2.335 11.221 1.00 0.00 O ATOM 715 CB THR A 45 -13.773 5.136 10.871 1.00 0.00 C ATOM 716 OG1 THR A 45 -14.781 5.947 11.508 1.00 0.00 O ATOM 717 CG2 THR A 45 -13.145 5.923 9.739 1.00 0.00 C ATOM 0 H THR A 45 -15.124 3.268 12.119 1.00 0.00 H new ATOM 0 HA THR A 45 -14.849 4.147 9.355 1.00 0.00 H new ATOM 0 HB THR A 45 -13.020 4.865 11.611 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.367 6.758 11.872 1.00 0.00 H new ATOM 0 HG21 THR A 45 -12.697 6.834 10.134 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.375 5.319 9.259 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.911 6.183 9.008 1.00 0.00 H new ATOM 725 N GLN A 46 -12.914 2.603 9.041 1.00 0.00 N ATOM 726 CA GLN A 46 -11.936 1.602 8.785 1.00 0.00 C ATOM 727 C GLN A 46 -11.290 1.881 7.473 1.00 0.00 C ATOM 728 O GLN A 46 -11.852 2.571 6.650 1.00 0.00 O ATOM 729 CB GLN A 46 -12.604 0.230 8.811 1.00 0.00 C ATOM 730 CG GLN A 46 -13.742 0.078 7.825 1.00 0.00 C ATOM 731 CD GLN A 46 -14.655 -1.066 8.212 1.00 0.00 C ATOM 732 OE1 GLN A 46 -15.646 -0.885 8.942 1.00 0.00 O ATOM 733 NE2 GLN A 46 -14.336 -2.240 7.766 1.00 0.00 N ATOM 0 H GLN A 46 -13.261 3.074 8.205 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.161 1.611 9.552 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.853 -0.532 8.603 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -12.981 0.040 9.816 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.315 1.004 7.781 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.340 -0.096 6.827 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.517 -2.354 7.169 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -14.904 -3.051 8.012 1.00 0.00 H new ATOM 742 N LEU A 47 -10.129 1.393 7.296 1.00 0.00 N ATOM 743 CA LEU A 47 -9.402 1.601 6.105 1.00 0.00 C ATOM 744 C LEU A 47 -9.253 0.295 5.373 1.00 0.00 C ATOM 745 O LEU A 47 -8.518 -0.594 5.809 1.00 0.00 O ATOM 746 CB LEU A 47 -8.029 2.230 6.374 1.00 0.00 C ATOM 747 CG LEU A 47 -7.995 3.675 6.910 1.00 0.00 C ATOM 748 CD1 LEU A 47 -8.236 3.749 8.411 1.00 0.00 C ATOM 749 CD2 LEU A 47 -6.714 4.400 6.512 1.00 0.00 C ATOM 0 H LEU A 47 -9.642 0.824 7.989 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.958 2.305 5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.503 1.595 7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.460 2.204 5.445 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.826 4.196 6.434 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.201 4.789 8.734 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.215 3.329 8.643 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.465 3.181 8.932 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.731 5.415 6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.854 3.866 6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.640 4.438 5.425 1.00 0.00 H new ATOM 761 N VAL A 48 -9.963 0.168 4.293 1.00 0.00 N ATOM 762 CA VAL A 48 -9.943 -1.036 3.496 1.00 0.00 C ATOM 763 C VAL A 48 -9.339 -0.745 2.138 1.00 0.00 C ATOM 764 O VAL A 48 -9.195 0.407 1.764 1.00 0.00 O ATOM 765 CB VAL A 48 -11.349 -1.673 3.348 1.00 0.00 C ATOM 766 CG1 VAL A 48 -11.852 -2.184 4.696 1.00 0.00 C ATOM 767 CG2 VAL A 48 -12.329 -0.668 2.776 1.00 0.00 C ATOM 0 H VAL A 48 -10.578 0.897 3.932 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.324 -1.766 4.018 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.270 -2.517 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.840 -2.627 4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.163 -2.936 5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.913 -1.354 5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.311 -1.132 2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.398 0.192 3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.984 -0.341 1.795 1.00 0.00 H new ATOM 777 N GLN A 49 -9.012 -1.765 1.409 1.00 0.00 N ATOM 778 CA GLN A 49 -8.317 -1.590 0.144 1.00 0.00 C ATOM 779 C GLN A 49 -9.295 -1.360 -1.010 1.00 0.00 C ATOM 780 O GLN A 49 -10.492 -1.650 -0.882 1.00 0.00 O ATOM 781 CB GLN A 49 -7.397 -2.783 -0.122 1.00 0.00 C ATOM 782 CG GLN A 49 -8.110 -4.118 -0.241 1.00 0.00 C ATOM 783 CD GLN A 49 -7.150 -5.290 -0.282 1.00 0.00 C ATOM 784 OE1 GLN A 49 -6.817 -5.869 0.749 1.00 0.00 O ATOM 785 NE2 GLN A 49 -6.683 -5.631 -1.438 1.00 0.00 N ATOM 0 H GLN A 49 -9.209 -2.735 1.656 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.700 -0.694 0.213 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.842 -2.599 -1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.665 -2.847 0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.790 -4.239 0.603 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.720 -4.121 -1.145 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.979 -5.130 -2.276 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.018 -6.401 -1.513 1.00 0.00 H new ATOM 794 N ASP A 50 -8.763 -0.888 -2.154 1.00 0.00 N ATOM 795 CA ASP A 50 -9.555 -0.532 -3.379 1.00 0.00 C ATOM 796 C ASP A 50 -10.424 -1.677 -3.793 1.00 0.00 C ATOM 797 O ASP A 50 -11.511 -1.510 -4.295 1.00 0.00 O ATOM 798 CB ASP A 50 -8.664 -0.334 -4.605 1.00 0.00 C ATOM 799 CG ASP A 50 -7.490 0.532 -4.426 1.00 0.00 C ATOM 800 OD1 ASP A 50 -6.494 0.039 -3.887 1.00 0.00 O ATOM 801 OD2 ASP A 50 -7.488 1.671 -4.912 1.00 0.00 O ATOM 0 H ASP A 50 -7.761 -0.736 -2.269 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.102 0.371 -3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.319 -1.313 -4.938 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.274 0.079 -5.408 1.00 0.00 H new ATOM 806 N ASP A 51 -9.904 -2.841 -3.573 1.00 0.00 N ATOM 807 CA ASP A 51 -10.498 -4.107 -4.014 1.00 0.00 C ATOM 808 C ASP A 51 -11.811 -4.350 -3.317 1.00 0.00 C ATOM 809 O ASP A 51 -12.660 -5.096 -3.810 1.00 0.00 O ATOM 810 CB ASP A 51 -9.553 -5.292 -3.741 1.00 0.00 C ATOM 811 CG ASP A 51 -8.171 -5.122 -4.341 1.00 0.00 C ATOM 812 OD1 ASP A 51 -7.341 -4.451 -3.724 1.00 0.00 O ATOM 813 OD2 ASP A 51 -7.878 -5.679 -5.415 1.00 0.00 O ATOM 0 H ASP A 51 -9.027 -2.964 -3.067 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.666 -4.030 -5.088 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.457 -5.428 -2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.002 -6.202 -4.138 1.00 0.00 H new ATOM 818 N GLN A 52 -11.981 -3.725 -2.175 1.00 0.00 N ATOM 819 CA GLN A 52 -13.196 -3.865 -1.416 1.00 0.00 C ATOM 820 C GLN A 52 -14.078 -2.661 -1.672 1.00 0.00 C ATOM 821 O GLN A 52 -15.280 -2.699 -1.435 1.00 0.00 O ATOM 822 CB GLN A 52 -12.894 -3.955 0.085 1.00 0.00 C ATOM 823 CG GLN A 52 -11.810 -4.961 0.461 1.00 0.00 C ATOM 824 CD GLN A 52 -12.034 -6.350 -0.111 1.00 0.00 C ATOM 825 OE1 GLN A 52 -13.156 -6.781 -0.334 1.00 0.00 O ATOM 826 NE2 GLN A 52 -10.961 -7.053 -0.346 1.00 0.00 N ATOM 0 H GLN A 52 -11.286 -3.111 -1.751 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.700 -4.781 -1.726 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.594 -2.969 0.441 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.812 -4.218 0.611 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.846 -4.588 0.115 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -11.754 -5.031 1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.041 -6.661 -0.148 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.042 -7.995 -0.728 1.00 0.00 H new ATOM 835 N VAL A 53 -13.467 -1.609 -2.186 1.00 0.00 N ATOM 836 CA VAL A 53 -14.161 -0.339 -2.399 1.00 0.00 C ATOM 837 C VAL A 53 -14.638 -0.158 -3.828 1.00 0.00 C ATOM 838 O VAL A 53 -13.843 -0.092 -4.772 1.00 0.00 O ATOM 839 CB VAL A 53 -13.289 0.870 -1.987 1.00 0.00 C ATOM 840 CG1 VAL A 53 -14.007 2.184 -2.263 1.00 0.00 C ATOM 841 CG2 VAL A 53 -12.961 0.774 -0.533 1.00 0.00 C ATOM 0 H VAL A 53 -12.486 -1.603 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.040 -0.379 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.373 0.851 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.370 3.016 -1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.228 2.261 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -14.937 2.216 -1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -12.346 1.626 -0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -13.883 0.776 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -12.414 -0.150 -0.344 1.00 0.00 H new ATOM 851 N LYS A 54 -15.924 -0.079 -3.981 1.00 0.00 N ATOM 852 CA LYS A 54 -16.527 0.157 -5.260 1.00 0.00 C ATOM 853 C LYS A 54 -17.139 1.549 -5.292 1.00 0.00 C ATOM 854 O LYS A 54 -18.073 1.851 -4.535 1.00 0.00 O ATOM 855 CB LYS A 54 -17.581 -0.920 -5.606 1.00 0.00 C ATOM 856 CG LYS A 54 -17.019 -2.334 -5.814 1.00 0.00 C ATOM 857 CD LYS A 54 -16.579 -3.012 -4.517 1.00 0.00 C ATOM 858 CE LYS A 54 -15.923 -4.363 -4.776 1.00 0.00 C ATOM 859 NZ LYS A 54 -16.850 -5.332 -5.388 1.00 0.00 N ATOM 0 H LYS A 54 -16.592 -0.177 -3.216 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.748 0.094 -6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.321 -0.953 -4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.105 -0.616 -6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.777 -2.950 -6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.169 -2.282 -6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.880 -2.364 -3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.443 -3.147 -3.867 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.062 -4.226 -5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -15.548 -4.768 -3.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.389 -6.262 -5.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -17.707 -5.409 -4.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -17.109 -5.009 -6.342 1.00 0.00 H new ATOM 873 N GLY A 55 -16.590 2.398 -6.127 1.00 0.00 N ATOM 874 CA GLY A 55 -17.078 3.744 -6.270 1.00 0.00 C ATOM 875 C GLY A 55 -15.933 4.715 -6.513 1.00 0.00 C ATOM 876 O GLY A 55 -14.836 4.283 -6.901 1.00 0.00 O ATOM 0 H GLY A 55 -15.794 2.174 -6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.783 3.793 -7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.622 4.035 -5.371 1.00 0.00 H new ATOM 880 N PRO A 56 -16.150 6.028 -6.345 1.00 0.00 N ATOM 881 CA PRO A 56 -15.113 7.041 -6.546 1.00 0.00 C ATOM 882 C PRO A 56 -14.216 7.250 -5.327 1.00 0.00 C ATOM 883 O PRO A 56 -14.687 7.368 -4.199 1.00 0.00 O ATOM 884 CB PRO A 56 -15.890 8.327 -6.794 1.00 0.00 C ATOM 885 CG PRO A 56 -17.345 7.980 -6.688 1.00 0.00 C ATOM 886 CD PRO A 56 -17.426 6.646 -5.988 1.00 0.00 C ATOM 0 HA PRO A 56 -14.450 6.738 -7.356 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.620 9.089 -6.063 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.660 8.734 -7.779 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -17.885 8.744 -6.128 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.802 7.926 -7.676 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.535 6.759 -4.909 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -18.275 6.056 -6.334 1.00 0.00 H new ATOM 894 N LEU A 57 -12.944 7.368 -5.567 1.00 0.00 N ATOM 895 CA LEU A 57 -11.986 7.572 -4.498 1.00 0.00 C ATOM 896 C LEU A 57 -11.692 9.036 -4.312 1.00 0.00 C ATOM 897 O LEU A 57 -10.752 9.577 -4.888 1.00 0.00 O ATOM 898 CB LEU A 57 -10.694 6.787 -4.744 1.00 0.00 C ATOM 899 CG LEU A 57 -10.853 5.283 -4.955 1.00 0.00 C ATOM 900 CD1 LEU A 57 -9.501 4.606 -5.022 1.00 0.00 C ATOM 901 CD2 LEU A 57 -11.725 4.673 -3.873 1.00 0.00 C ATOM 0 H LEU A 57 -12.533 7.327 -6.500 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.434 7.193 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.199 7.206 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.029 6.946 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.353 5.122 -5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.637 3.535 -5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.928 5.019 -5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.963 4.776 -4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.823 3.601 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.268 4.843 -2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.712 5.136 -3.897 1.00 0.00 H new ATOM 913 N ARG A 58 -12.553 9.689 -3.580 1.00 0.00 N ATOM 914 CA ARG A 58 -12.366 11.083 -3.198 1.00 0.00 C ATOM 915 C ARG A 58 -12.789 11.218 -1.787 1.00 0.00 C ATOM 916 O ARG A 58 -13.744 10.561 -1.378 1.00 0.00 O ATOM 917 CB ARG A 58 -13.164 12.106 -4.051 1.00 0.00 C ATOM 918 CG ARG A 58 -12.863 12.127 -5.540 1.00 0.00 C ATOM 919 CD ARG A 58 -13.606 11.037 -6.277 1.00 0.00 C ATOM 920 NE ARG A 58 -13.226 10.966 -7.683 1.00 0.00 N ATOM 921 CZ ARG A 58 -14.077 10.998 -8.719 1.00 0.00 C ATOM 922 NH1 ARG A 58 -15.380 11.227 -8.522 1.00 0.00 N ATOM 923 NH2 ARG A 58 -13.612 10.852 -9.949 1.00 0.00 N ATOM 0 H ARG A 58 -13.414 9.275 -3.224 1.00 0.00 H new ATOM 0 HA ARG A 58 -11.314 11.317 -3.359 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.227 11.904 -3.921 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -12.978 13.103 -3.651 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.138 13.098 -5.953 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.791 12.006 -5.696 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.407 10.077 -5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.679 11.215 -6.201 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.232 10.885 -7.896 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.734 11.379 -7.578 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.020 11.250 -9.316 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.613 10.716 -10.104 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.253 10.875 -10.742 1.00 0.00 H new ATOM 937 N VAL A 59 -12.093 12.019 -1.027 1.00 0.00 N ATOM 938 CA VAL A 59 -12.473 12.235 0.343 1.00 0.00 C ATOM 939 C VAL A 59 -13.788 12.989 0.373 1.00 0.00 C ATOM 940 O VAL A 59 -13.873 14.133 -0.054 1.00 0.00 O ATOM 941 CB VAL A 59 -11.382 12.981 1.155 1.00 0.00 C ATOM 942 CG1 VAL A 59 -11.828 13.197 2.593 1.00 0.00 C ATOM 943 CG2 VAL A 59 -10.092 12.186 1.136 1.00 0.00 C ATOM 0 H VAL A 59 -11.264 12.530 -1.330 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.591 11.264 0.823 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.218 13.955 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.046 13.722 3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -12.741 13.792 2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -12.017 12.232 3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.330 12.715 1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.263 11.205 1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.754 12.065 0.107 1.00 0.00 H new ATOM 953 N GLY A 60 -14.806 12.323 0.841 1.00 0.00 N ATOM 954 CA GLY A 60 -16.114 12.895 0.862 1.00 0.00 C ATOM 955 C GLY A 60 -17.016 12.304 -0.187 1.00 0.00 C ATOM 956 O GLY A 60 -18.137 12.782 -0.389 1.00 0.00 O ATOM 0 H GLY A 60 -14.749 11.376 1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.558 12.744 1.846 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.039 13.972 0.708 1.00 0.00 H new ATOM 960 N ALA A 61 -16.543 11.275 -0.861 1.00 0.00 N ATOM 961 CA ALA A 61 -17.326 10.634 -1.890 1.00 0.00 C ATOM 962 C ALA A 61 -18.000 9.426 -1.309 1.00 0.00 C ATOM 963 O ALA A 61 -17.513 8.853 -0.334 1.00 0.00 O ATOM 964 CB ALA A 61 -16.464 10.256 -3.088 1.00 0.00 C ATOM 0 H ALA A 61 -15.620 10.867 -0.712 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.082 11.332 -2.250 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.084 9.775 -3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.010 11.154 -3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.681 9.568 -2.770 1.00 0.00 H new ATOM 970 N ILE A 62 -19.105 9.055 -1.864 1.00 0.00 N ATOM 971 CA ILE A 62 -19.839 7.927 -1.384 1.00 0.00 C ATOM 972 C ILE A 62 -19.559 6.712 -2.254 1.00 0.00 C ATOM 973 O ILE A 62 -19.719 6.753 -3.478 1.00 0.00 O ATOM 974 CB ILE A 62 -21.336 8.240 -1.379 1.00 0.00 C ATOM 975 CG1 ILE A 62 -21.571 9.517 -0.588 1.00 0.00 C ATOM 976 CG2 ILE A 62 -22.121 7.091 -0.759 1.00 0.00 C ATOM 977 CD1 ILE A 62 -22.975 10.005 -0.662 1.00 0.00 C ATOM 0 H ILE A 62 -19.527 9.525 -2.665 1.00 0.00 H new ATOM 0 HA ILE A 62 -19.522 7.707 -0.364 1.00 0.00 H new ATOM 0 HB ILE A 62 -21.679 8.372 -2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -21.309 9.343 0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -20.903 10.294 -0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -23.184 7.332 -0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -21.952 6.182 -1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -21.789 6.936 0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -23.074 10.919 -0.076 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -23.235 10.210 -1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -23.646 9.244 -0.264 1.00 0.00 H new ATOM 989 N VAL A 63 -19.151 5.655 -1.622 1.00 0.00 N ATOM 990 CA VAL A 63 -18.831 4.404 -2.272 1.00 0.00 C ATOM 991 C VAL A 63 -19.585 3.313 -1.587 1.00 0.00 C ATOM 992 O VAL A 63 -20.356 3.568 -0.682 1.00 0.00 O ATOM 993 CB VAL A 63 -17.316 4.066 -2.155 1.00 0.00 C ATOM 994 CG1 VAL A 63 -16.482 5.045 -2.920 1.00 0.00 C ATOM 995 CG2 VAL A 63 -16.871 4.023 -0.685 1.00 0.00 C ATOM 0 H VAL A 63 -19.025 5.630 -0.610 1.00 0.00 H new ATOM 0 HA VAL A 63 -19.095 4.493 -3.326 1.00 0.00 H new ATOM 0 HB VAL A 63 -17.168 3.077 -2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.429 4.783 -2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -16.763 5.018 -3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -16.645 6.048 -2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.809 3.785 -0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -17.048 4.994 -0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -17.440 3.260 -0.155 1.00 0.00 H new ATOM 1005 N GLU A 64 -19.383 2.130 -2.010 1.00 0.00 N ATOM 1006 CA GLU A 64 -19.893 1.001 -1.326 1.00 0.00 C ATOM 1007 C GLU A 64 -18.772 0.020 -1.180 1.00 0.00 C ATOM 1008 O GLU A 64 -18.061 -0.284 -2.140 1.00 0.00 O ATOM 1009 CB GLU A 64 -21.153 0.463 -1.987 1.00 0.00 C ATOM 1010 CG GLU A 64 -21.019 0.159 -3.463 1.00 0.00 C ATOM 1011 CD GLU A 64 -22.357 -0.053 -4.114 1.00 0.00 C ATOM 1012 OE1 GLU A 64 -22.881 -1.197 -4.076 1.00 0.00 O ATOM 1013 OE2 GLU A 64 -22.920 0.918 -4.664 1.00 0.00 O ATOM 0 H GLU A 64 -18.852 1.909 -2.852 1.00 0.00 H new ATOM 0 HA GLU A 64 -20.236 1.259 -0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -21.457 -0.447 -1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -21.955 1.189 -1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -20.501 0.980 -3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -20.405 -0.732 -3.596 1.00 0.00 H new ATOM 1020 N THR A 65 -18.569 -0.414 0.003 1.00 0.00 N ATOM 1021 CA THR A 65 -17.401 -1.151 0.318 1.00 0.00 C ATOM 1022 C THR A 65 -17.716 -2.286 1.245 1.00 0.00 C ATOM 1023 O THR A 65 -18.772 -2.311 1.892 1.00 0.00 O ATOM 1024 CB THR A 65 -16.336 -0.216 0.942 1.00 0.00 C ATOM 1025 OG1 THR A 65 -15.138 -0.932 1.252 1.00 0.00 O ATOM 1026 CG2 THR A 65 -16.867 0.444 2.191 1.00 0.00 C ATOM 0 H THR A 65 -19.207 -0.270 0.786 1.00 0.00 H new ATOM 0 HA THR A 65 -17.001 -1.574 -0.603 1.00 0.00 H new ATOM 0 HB THR A 65 -16.104 0.552 0.204 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.941 -1.567 0.532 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.101 1.096 2.612 1.00 0.00 H new ATOM 0 HG22 THR A 65 -17.750 1.034 1.944 1.00 0.00 H new ATOM 0 HG23 THR A 65 -17.134 -0.320 2.921 1.00 0.00 H new ATOM 1034 N ARG A 66 -16.836 -3.235 1.261 1.00 0.00 N ATOM 1035 CA ARG A 66 -16.965 -4.378 2.094 1.00 0.00 C ATOM 1036 C ARG A 66 -16.789 -3.974 3.546 1.00 0.00 C ATOM 1037 O ARG A 66 -15.861 -3.237 3.893 1.00 0.00 O ATOM 1038 CB ARG A 66 -15.925 -5.417 1.713 1.00 0.00 C ATOM 1039 CG ARG A 66 -16.180 -6.785 2.307 1.00 0.00 C ATOM 1040 CD ARG A 66 -15.204 -7.804 1.769 1.00 0.00 C ATOM 1041 NE ARG A 66 -15.525 -9.167 2.208 1.00 0.00 N ATOM 1042 CZ ARG A 66 -14.652 -10.182 2.232 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -13.413 -10.003 1.777 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -15.026 -11.375 2.688 1.00 0.00 N ATOM 0 H ARG A 66 -15.995 -3.234 0.684 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.957 -4.809 1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.893 -5.503 0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.943 -5.069 2.034 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.096 -6.735 3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.199 -7.099 2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.205 -7.766 0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.196 -7.547 2.096 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.479 -9.354 2.516 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.130 -9.094 1.411 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.747 -10.775 1.795 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.980 -11.518 3.020 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.359 -12.146 2.705 1.00 0.00 H new ATOM 1058 N THR A 67 -17.686 -4.426 4.360 1.00 0.00 N ATOM 1059 CA THR A 67 -17.625 -4.206 5.761 1.00 0.00 C ATOM 1060 C THR A 67 -16.852 -5.370 6.377 1.00 0.00 C ATOM 1061 O THR A 67 -16.629 -6.394 5.704 1.00 0.00 O ATOM 1062 CB THR A 67 -19.051 -4.070 6.384 1.00 0.00 C ATOM 1063 OG1 THR A 67 -18.980 -3.884 7.805 1.00 0.00 O ATOM 1064 CG2 THR A 67 -19.870 -5.282 6.086 1.00 0.00 C ATOM 0 H THR A 67 -18.496 -4.969 4.060 1.00 0.00 H new ATOM 0 HA THR A 67 -17.116 -3.265 5.970 1.00 0.00 H new ATOM 0 HB THR A 67 -19.522 -3.194 5.938 1.00 0.00 H new ATOM 0 HG1 THR A 67 -19.886 -3.800 8.170 1.00 0.00 H new ATOM 0 HG21 THR A 67 -20.860 -5.170 6.528 1.00 0.00 H new ATOM 0 HG22 THR A 67 -19.965 -5.400 5.007 1.00 0.00 H new ATOM 0 HG23 THR A 67 -19.383 -6.162 6.506 1.00 0.00 H new ATOM 1072 N SER A 68 -16.492 -5.249 7.629 1.00 0.00 N ATOM 1073 CA SER A 68 -15.689 -6.237 8.320 1.00 0.00 C ATOM 1074 C SER A 68 -16.441 -7.572 8.439 1.00 0.00 C ATOM 1075 O SER A 68 -15.831 -8.636 8.563 1.00 0.00 O ATOM 1076 CB SER A 68 -15.336 -5.681 9.675 1.00 0.00 C ATOM 1077 OG SER A 68 -14.840 -4.362 9.522 1.00 0.00 O ATOM 0 H SER A 68 -16.750 -4.451 8.210 1.00 0.00 H new ATOM 0 HA SER A 68 -14.778 -6.442 7.758 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.214 -5.680 10.321 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.587 -6.310 10.156 1.00 0.00 H new ATOM 0 HG SER A 68 -14.610 -3.995 10.401 1.00 0.00 H new ATOM 1083 N ASP A 69 -17.770 -7.492 8.361 1.00 0.00 N ATOM 1084 CA ASP A 69 -18.648 -8.671 8.372 1.00 0.00 C ATOM 1085 C ASP A 69 -18.425 -9.543 7.130 1.00 0.00 C ATOM 1086 O ASP A 69 -18.627 -10.757 7.158 1.00 0.00 O ATOM 1087 CB ASP A 69 -20.118 -8.211 8.400 1.00 0.00 C ATOM 1088 CG ASP A 69 -21.109 -9.336 8.183 1.00 0.00 C ATOM 1089 OD1 ASP A 69 -21.530 -9.974 9.172 1.00 0.00 O ATOM 1090 OD2 ASP A 69 -21.492 -9.588 7.022 1.00 0.00 O ATOM 0 H ASP A 69 -18.273 -6.607 8.288 1.00 0.00 H new ATOM 0 HA ASP A 69 -18.413 -9.261 9.258 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.324 -7.737 9.360 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -20.268 -7.453 7.631 1.00 0.00 H new ATOM 1095 N GLY A 70 -17.968 -8.928 6.064 1.00 0.00 N ATOM 1096 CA GLY A 70 -17.781 -9.642 4.833 1.00 0.00 C ATOM 1097 C GLY A 70 -18.742 -9.168 3.777 1.00 0.00 C ATOM 1098 O GLY A 70 -18.491 -9.330 2.583 1.00 0.00 O ATOM 0 H GLY A 70 -17.721 -7.939 6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -16.757 -9.507 4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.922 -10.709 5.004 1.00 0.00 H new ATOM 1102 N SER A 71 -19.825 -8.575 4.226 1.00 0.00 N ATOM 1103 CA SER A 71 -20.855 -8.022 3.370 1.00 0.00 C ATOM 1104 C SER A 71 -20.379 -6.668 2.799 1.00 0.00 C ATOM 1105 O SER A 71 -19.284 -6.210 3.107 1.00 0.00 O ATOM 1106 CB SER A 71 -22.135 -7.837 4.215 1.00 0.00 C ATOM 1107 OG SER A 71 -23.236 -7.352 3.455 1.00 0.00 O ATOM 0 H SER A 71 -20.021 -8.460 5.220 1.00 0.00 H new ATOM 0 HA SER A 71 -21.062 -8.691 2.534 1.00 0.00 H new ATOM 0 HB2 SER A 71 -22.405 -8.790 4.669 1.00 0.00 H new ATOM 0 HB3 SER A 71 -21.929 -7.143 5.030 1.00 0.00 H new ATOM 0 HG SER A 71 -24.018 -7.255 4.037 1.00 0.00 H new ATOM 1113 N PHE A 72 -21.193 -6.048 2.002 1.00 0.00 N ATOM 1114 CA PHE A 72 -20.898 -4.753 1.426 1.00 0.00 C ATOM 1115 C PHE A 72 -21.944 -3.759 1.877 1.00 0.00 C ATOM 1116 O PHE A 72 -23.137 -4.080 1.923 1.00 0.00 O ATOM 1117 CB PHE A 72 -20.817 -4.812 -0.115 1.00 0.00 C ATOM 1118 CG PHE A 72 -19.578 -5.494 -0.654 1.00 0.00 C ATOM 1119 CD1 PHE A 72 -19.465 -6.875 -0.668 1.00 0.00 C ATOM 1120 CD2 PHE A 72 -18.521 -4.739 -1.137 1.00 0.00 C ATOM 1121 CE1 PHE A 72 -18.323 -7.486 -1.150 1.00 0.00 C ATOM 1122 CE2 PHE A 72 -17.377 -5.342 -1.618 1.00 0.00 C ATOM 1123 CZ PHE A 72 -17.279 -6.717 -1.627 1.00 0.00 C ATOM 0 H PHE A 72 -22.098 -6.426 1.723 1.00 0.00 H new ATOM 0 HA PHE A 72 -19.917 -4.433 1.777 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -21.696 -5.334 -0.492 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -20.856 -3.796 -0.507 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -20.279 -7.481 -0.298 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -18.594 -3.661 -1.137 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -18.247 -8.563 -1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -16.561 -4.738 -1.986 1.00 0.00 H new ATOM 0 HZ PHE A 72 -16.387 -7.193 -2.007 1.00 0.00 H new ATOM 1133 N GLN A 73 -21.508 -2.592 2.252 1.00 0.00 N ATOM 1134 CA GLN A 73 -22.383 -1.567 2.749 1.00 0.00 C ATOM 1135 C GLN A 73 -21.933 -0.261 2.130 1.00 0.00 C ATOM 1136 O GLN A 73 -20.757 -0.127 1.755 1.00 0.00 O ATOM 1137 CB GLN A 73 -22.269 -1.492 4.281 1.00 0.00 C ATOM 1138 CG GLN A 73 -23.397 -0.737 4.969 1.00 0.00 C ATOM 1139 CD GLN A 73 -23.193 -0.641 6.467 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -22.627 0.335 6.978 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -23.623 -1.645 7.180 1.00 0.00 N ATOM 0 H GLN A 73 -20.525 -2.321 2.222 1.00 0.00 H new ATOM 0 HA GLN A 73 -23.422 -1.777 2.494 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -22.234 -2.506 4.679 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -21.323 -1.016 4.538 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -23.469 0.266 4.549 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -24.344 -1.237 4.765 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -24.085 -2.433 6.725 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -23.497 -1.643 8.192 1.00 0.00 H new ATOM 1150 N GLU A 74 -22.828 0.675 1.986 1.00 0.00 N ATOM 1151 CA GLU A 74 -22.480 1.932 1.414 1.00 0.00 C ATOM 1152 C GLU A 74 -21.746 2.780 2.457 1.00 0.00 C ATOM 1153 O GLU A 74 -22.109 2.804 3.642 1.00 0.00 O ATOM 1154 CB GLU A 74 -23.712 2.631 0.828 1.00 0.00 C ATOM 1155 CG GLU A 74 -23.388 3.886 0.050 1.00 0.00 C ATOM 1156 CD GLU A 74 -24.561 4.439 -0.700 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -25.427 5.083 -0.081 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -24.623 4.270 -1.939 1.00 0.00 O ATOM 0 H GLU A 74 -23.806 0.585 2.260 1.00 0.00 H new ATOM 0 HA GLU A 74 -21.800 1.780 0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.237 1.935 0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.395 2.883 1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.015 4.645 0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -22.584 3.671 -0.654 1.00 0.00 H new ATOM 1165 N ALA A 75 -20.710 3.422 2.030 1.00 0.00 N ATOM 1166 CA ALA A 75 -19.852 4.176 2.917 1.00 0.00 C ATOM 1167 C ALA A 75 -19.388 5.465 2.288 1.00 0.00 C ATOM 1168 O ALA A 75 -19.639 5.719 1.119 1.00 0.00 O ATOM 1169 CB ALA A 75 -18.654 3.345 3.280 1.00 0.00 C ATOM 0 H ALA A 75 -20.423 3.446 1.052 1.00 0.00 H new ATOM 0 HA ALA A 75 -20.430 4.424 3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.007 3.912 3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.981 2.433 3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.104 3.086 2.376 1.00 0.00 H new ATOM 1175 N ILE A 76 -18.713 6.274 3.064 1.00 0.00 N ATOM 1176 CA ILE A 76 -18.172 7.539 2.557 1.00 0.00 C ATOM 1177 C ILE A 76 -16.672 7.572 2.844 1.00 0.00 C ATOM 1178 O ILE A 76 -16.235 7.057 3.881 1.00 0.00 O ATOM 1179 CB ILE A 76 -18.821 8.827 3.214 1.00 0.00 C ATOM 1180 CG1 ILE A 76 -20.372 8.749 3.296 1.00 0.00 C ATOM 1181 CG2 ILE A 76 -18.405 10.097 2.446 1.00 0.00 C ATOM 1182 CD1 ILE A 76 -20.913 7.963 4.489 1.00 0.00 C ATOM 0 H ILE A 76 -18.518 6.093 4.049 1.00 0.00 H new ATOM 0 HA ILE A 76 -18.401 7.571 1.492 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.443 8.873 4.235 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.771 9.763 3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -20.748 8.295 2.379 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.861 10.970 2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.320 10.198 2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.740 10.022 1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -22.003 7.964 4.461 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -20.550 6.936 4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -20.573 8.427 5.415 1.00 0.00 H new ATOM 1194 N ILE A 77 -15.886 8.140 1.941 1.00 0.00 N ATOM 1195 CA ILE A 77 -14.446 8.262 2.158 1.00 0.00 C ATOM 1196 C ILE A 77 -14.166 9.379 3.159 1.00 0.00 C ATOM 1197 O ILE A 77 -14.570 10.527 2.955 1.00 0.00 O ATOM 1198 CB ILE A 77 -13.599 8.538 0.853 1.00 0.00 C ATOM 1199 CG1 ILE A 77 -13.668 7.401 -0.165 1.00 0.00 C ATOM 1200 CG2 ILE A 77 -12.136 8.788 1.191 1.00 0.00 C ATOM 1201 CD1 ILE A 77 -14.962 7.255 -0.872 1.00 0.00 C ATOM 0 H ILE A 77 -16.216 8.523 1.055 1.00 0.00 H new ATOM 0 HA ILE A 77 -14.132 7.289 2.534 1.00 0.00 H new ATOM 0 HB ILE A 77 -14.046 9.425 0.404 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -12.884 7.553 -0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -13.446 6.465 0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.577 8.975 0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -12.057 9.655 1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.724 7.913 1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -14.903 6.420 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.754 7.066 -0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.183 8.171 -1.420 1.00 0.00 H new ATOM 1213 N SER A 78 -13.498 9.039 4.217 1.00 0.00 N ATOM 1214 CA SER A 78 -13.117 9.975 5.233 1.00 0.00 C ATOM 1215 C SER A 78 -11.638 10.376 5.019 1.00 0.00 C ATOM 1216 O SER A 78 -11.211 11.458 5.416 1.00 0.00 O ATOM 1217 CB SER A 78 -13.333 9.321 6.613 1.00 0.00 C ATOM 1218 OG SER A 78 -13.184 10.244 7.678 1.00 0.00 O ATOM 0 H SER A 78 -13.195 8.083 4.404 1.00 0.00 H new ATOM 0 HA SER A 78 -13.724 10.879 5.181 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.330 8.883 6.652 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.621 8.505 6.741 1.00 0.00 H new ATOM 0 HG SER A 78 -13.331 9.785 8.531 1.00 0.00 H new ATOM 1224 N LYS A 79 -10.885 9.502 4.357 1.00 0.00 N ATOM 1225 CA LYS A 79 -9.473 9.720 4.049 1.00 0.00 C ATOM 1226 C LYS A 79 -9.065 8.632 3.066 1.00 0.00 C ATOM 1227 O LYS A 79 -9.661 7.575 3.059 1.00 0.00 O ATOM 1228 CB LYS A 79 -8.597 9.568 5.331 1.00 0.00 C ATOM 1229 CG LYS A 79 -7.138 10.025 5.183 1.00 0.00 C ATOM 1230 CD LYS A 79 -6.997 11.550 5.175 1.00 0.00 C ATOM 1231 CE LYS A 79 -7.298 12.145 6.556 1.00 0.00 C ATOM 1232 NZ LYS A 79 -7.141 13.612 6.583 1.00 0.00 N ATOM 0 H LYS A 79 -11.242 8.610 4.014 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.331 10.723 3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.059 10.137 6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.604 8.521 5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.547 9.613 6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.726 9.621 4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.986 11.822 4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.677 11.976 4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.316 11.886 6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.633 11.697 7.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.355 13.967 7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.163 13.861 6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.794 14.044 5.898 1.00 0.00 H new ATOM 1246 N LEU A 80 -8.112 8.886 2.231 1.00 0.00 N ATOM 1247 CA LEU A 80 -7.565 7.847 1.385 1.00 0.00 C ATOM 1248 C LEU A 80 -6.056 7.790 1.510 1.00 0.00 C ATOM 1249 O LEU A 80 -5.364 8.765 1.261 1.00 0.00 O ATOM 1250 CB LEU A 80 -8.098 7.850 -0.089 1.00 0.00 C ATOM 1251 CG LEU A 80 -8.431 9.192 -0.788 1.00 0.00 C ATOM 1252 CD1 LEU A 80 -7.259 10.159 -0.808 1.00 0.00 C ATOM 1253 CD2 LEU A 80 -8.878 8.918 -2.206 1.00 0.00 C ATOM 0 H LEU A 80 -7.686 9.805 2.107 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.950 6.901 1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.356 7.339 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.002 7.241 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.226 9.665 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.555 11.080 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.956 10.385 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.423 9.707 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.113 9.860 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.079 8.412 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.764 8.284 -2.192 1.00 0.00 H new ATOM 1265 N THR A 81 -5.561 6.669 1.962 1.00 0.00 N ATOM 1266 CA THR A 81 -4.153 6.506 2.239 1.00 0.00 C ATOM 1267 C THR A 81 -3.513 5.602 1.181 1.00 0.00 C ATOM 1268 O THR A 81 -3.986 4.496 0.948 1.00 0.00 O ATOM 1269 CB THR A 81 -3.995 5.866 3.635 1.00 0.00 C ATOM 1270 OG1 THR A 81 -4.821 6.586 4.576 1.00 0.00 O ATOM 1271 CG2 THR A 81 -2.549 5.909 4.107 1.00 0.00 C ATOM 0 H THR A 81 -6.122 5.838 2.150 1.00 0.00 H new ATOM 0 HA THR A 81 -3.658 7.477 2.215 1.00 0.00 H new ATOM 0 HB THR A 81 -4.301 4.822 3.571 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.729 6.186 5.466 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.474 5.450 5.093 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.920 5.363 3.404 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.215 6.945 4.163 1.00 0.00 H new ATOM 1279 N ASP A 82 -2.470 6.076 0.541 1.00 0.00 N ATOM 1280 CA ASP A 82 -1.782 5.292 -0.472 1.00 0.00 C ATOM 1281 C ASP A 82 -0.896 4.269 0.188 1.00 0.00 C ATOM 1282 O ASP A 82 -0.005 4.609 0.972 1.00 0.00 O ATOM 1283 CB ASP A 82 -0.941 6.165 -1.401 1.00 0.00 C ATOM 1284 CG ASP A 82 -1.745 7.058 -2.313 1.00 0.00 C ATOM 1285 OD1 ASP A 82 -2.190 8.141 -1.880 1.00 0.00 O ATOM 1286 OD2 ASP A 82 -1.917 6.717 -3.496 1.00 0.00 O ATOM 0 H ASP A 82 -2.074 7.002 0.700 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.544 4.798 -1.075 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.279 6.785 -0.797 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.307 5.521 -2.010 1.00 0.00 H new ATOM 1291 N ALA A 83 -1.134 3.033 -0.114 1.00 0.00 N ATOM 1292 CA ALA A 83 -0.394 1.952 0.457 1.00 0.00 C ATOM 1293 C ALA A 83 0.121 1.060 -0.647 1.00 0.00 C ATOM 1294 O ALA A 83 -0.107 1.325 -1.831 1.00 0.00 O ATOM 1295 CB ALA A 83 -1.273 1.163 1.403 1.00 0.00 C ATOM 0 H ALA A 83 -1.857 2.741 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 83 0.451 2.349 1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.700 0.342 1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.626 1.816 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.127 0.763 0.857 1.00 0.00 H new ATOM 1301 N SER A 84 0.811 0.016 -0.279 1.00 0.00 N ATOM 1302 CA SER A 84 1.352 -0.894 -1.233 1.00 0.00 C ATOM 1303 C SER A 84 1.772 -2.198 -0.585 1.00 0.00 C ATOM 1304 O SER A 84 2.171 -2.231 0.581 1.00 0.00 O ATOM 1305 CB SER A 84 2.517 -0.235 -1.986 1.00 0.00 C ATOM 1306 OG SER A 84 3.351 0.469 -1.081 1.00 0.00 O ATOM 0 H SER A 84 1.011 -0.222 0.692 1.00 0.00 H new ATOM 0 HA SER A 84 0.572 -1.140 -1.954 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.097 -0.995 -2.510 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.130 0.448 -2.742 1.00 0.00 H new ATOM 0 HG SER A 84 3.046 1.398 -1.010 1.00 0.00 H new ATOM 1312 N TRP A 85 1.612 -3.252 -1.324 1.00 0.00 N ATOM 1313 CA TRP A 85 2.061 -4.567 -0.947 1.00 0.00 C ATOM 1314 C TRP A 85 3.123 -4.975 -1.909 1.00 0.00 C ATOM 1315 O TRP A 85 3.062 -4.603 -3.090 1.00 0.00 O ATOM 1316 CB TRP A 85 0.949 -5.591 -1.026 1.00 0.00 C ATOM 1317 CG TRP A 85 -0.052 -5.557 0.076 1.00 0.00 C ATOM 1318 CD1 TRP A 85 -1.258 -4.976 0.040 1.00 0.00 C ATOM 1319 CD2 TRP A 85 0.063 -6.166 1.376 1.00 0.00 C ATOM 1320 NE1 TRP A 85 -1.922 -5.178 1.221 1.00 0.00 N ATOM 1321 CE2 TRP A 85 -1.132 -5.904 2.057 1.00 0.00 C ATOM 1322 CE3 TRP A 85 1.053 -6.907 2.027 1.00 0.00 C ATOM 1323 CZ2 TRP A 85 -1.371 -6.351 3.349 1.00 0.00 C ATOM 1324 CZ3 TRP A 85 0.811 -7.350 3.316 1.00 0.00 C ATOM 1325 CH2 TRP A 85 -0.392 -7.071 3.961 1.00 0.00 C ATOM 0 H TRP A 85 1.152 -3.226 -2.234 1.00 0.00 H new ATOM 0 HA TRP A 85 2.419 -4.527 0.082 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.424 -5.455 -1.971 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.398 -6.584 -1.051 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -1.652 -4.426 -0.802 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -2.859 -4.838 1.439 1.00 0.00 H new ATOM 0 HE3 TRP A 85 1.988 -7.130 1.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -2.302 -6.135 3.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 1.568 -7.922 3.831 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -0.551 -7.433 4.966 1.00 0.00 H new ATOM 1336 N TYR A 86 4.079 -5.711 -1.442 1.00 0.00 N ATOM 1337 CA TYR A 86 5.155 -6.133 -2.274 1.00 0.00 C ATOM 1338 C TYR A 86 5.233 -7.639 -2.225 1.00 0.00 C ATOM 1339 O TYR A 86 5.482 -8.221 -1.163 1.00 0.00 O ATOM 1340 CB TYR A 86 6.475 -5.508 -1.776 1.00 0.00 C ATOM 1341 CG TYR A 86 6.356 -4.022 -1.490 1.00 0.00 C ATOM 1342 CD1 TYR A 86 6.421 -3.081 -2.504 1.00 0.00 C ATOM 1343 CD2 TYR A 86 6.139 -3.574 -0.202 1.00 0.00 C ATOM 1344 CE1 TYR A 86 6.273 -1.737 -2.243 1.00 0.00 C ATOM 1345 CE2 TYR A 86 5.997 -2.242 0.073 1.00 0.00 C ATOM 1346 CZ TYR A 86 6.057 -1.325 -0.943 1.00 0.00 C ATOM 1347 OH TYR A 86 5.905 0.015 -0.653 1.00 0.00 O ATOM 0 H TYR A 86 4.135 -6.035 -0.476 1.00 0.00 H new ATOM 0 HA TYR A 86 4.989 -5.808 -3.301 1.00 0.00 H new ATOM 0 HB2 TYR A 86 6.795 -6.022 -0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 86 7.251 -5.667 -2.524 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.591 -3.408 -3.519 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.080 -4.290 0.604 1.00 0.00 H new ATOM 0 HE1 TYR A 86 6.325 -1.015 -3.044 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.838 -1.913 1.089 1.00 0.00 H new ATOM 0 HH TYR A 86 4.951 0.239 -0.632 1.00 0.00 H new ATOM 1357 N THR A 87 4.947 -8.270 -3.326 1.00 0.00 N ATOM 1358 CA THR A 87 5.084 -9.666 -3.424 1.00 0.00 C ATOM 1359 C THR A 87 6.516 -9.920 -3.792 1.00 0.00 C ATOM 1360 O THR A 87 6.959 -9.598 -4.904 1.00 0.00 O ATOM 1361 CB THR A 87 4.147 -10.271 -4.481 1.00 0.00 C ATOM 1362 OG1 THR A 87 2.793 -9.825 -4.246 1.00 0.00 O ATOM 1363 CG2 THR A 87 4.190 -11.788 -4.394 1.00 0.00 C ATOM 0 H THR A 87 4.612 -7.816 -4.176 1.00 0.00 H new ATOM 0 HA THR A 87 4.813 -10.136 -2.479 1.00 0.00 H new ATOM 0 HB THR A 87 4.473 -9.949 -5.470 1.00 0.00 H new ATOM 0 HG1 THR A 87 2.435 -10.272 -3.451 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.525 -12.214 -5.145 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.208 -12.134 -4.573 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.868 -12.105 -3.402 1.00 0.00 H new ATOM 1371 N VAL A 88 7.238 -10.396 -2.854 1.00 0.00 N ATOM 1372 CA VAL A 88 8.628 -10.617 -3.000 1.00 0.00 C ATOM 1373 C VAL A 88 8.915 -12.097 -3.024 1.00 0.00 C ATOM 1374 O VAL A 88 8.205 -12.889 -2.396 1.00 0.00 O ATOM 1375 CB VAL A 88 9.430 -9.931 -1.859 1.00 0.00 C ATOM 1376 CG1 VAL A 88 9.323 -8.426 -1.954 1.00 0.00 C ATOM 1377 CG2 VAL A 88 8.931 -10.379 -0.512 1.00 0.00 C ATOM 0 H VAL A 88 6.872 -10.651 -1.937 1.00 0.00 H new ATOM 0 HA VAL A 88 8.945 -10.175 -3.945 1.00 0.00 H new ATOM 0 HB VAL A 88 10.474 -10.223 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.893 -7.969 -1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.722 -8.093 -2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.277 -8.130 -1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.507 -9.886 0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.878 -10.117 -0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 88 9.046 -11.459 -0.422 1.00 0.00 H new ATOM 1387 N VAL A 89 9.904 -12.463 -3.768 1.00 0.00 N ATOM 1388 CA VAL A 89 10.320 -13.831 -3.858 1.00 0.00 C ATOM 1389 C VAL A 89 11.549 -14.012 -3.013 1.00 0.00 C ATOM 1390 O VAL A 89 12.547 -13.315 -3.189 1.00 0.00 O ATOM 1391 CB VAL A 89 10.553 -14.307 -5.327 1.00 0.00 C ATOM 1392 CG1 VAL A 89 11.554 -13.436 -6.060 1.00 0.00 C ATOM 1393 CG2 VAL A 89 10.996 -15.757 -5.376 1.00 0.00 C ATOM 0 H VAL A 89 10.454 -11.820 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 89 9.514 -14.462 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 89 9.593 -14.216 -5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.683 -13.806 -7.077 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.189 -12.409 -6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.511 -13.465 -5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.149 -16.056 -6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.929 -15.871 -4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.229 -16.387 -4.926 1.00 0.00 H new ATOM 1403 N PHE A 90 11.451 -14.892 -2.075 1.00 0.00 N ATOM 1404 CA PHE A 90 12.515 -15.137 -1.139 1.00 0.00 C ATOM 1405 C PHE A 90 13.647 -15.896 -1.778 1.00 0.00 C ATOM 1406 O PHE A 90 13.539 -16.377 -2.912 1.00 0.00 O ATOM 1407 CB PHE A 90 12.002 -15.967 0.038 1.00 0.00 C ATOM 1408 CG PHE A 90 10.868 -15.352 0.777 1.00 0.00 C ATOM 1409 CD1 PHE A 90 10.967 -14.077 1.241 1.00 0.00 C ATOM 1410 CD2 PHE A 90 9.716 -16.066 1.032 1.00 0.00 C ATOM 1411 CE1 PHE A 90 9.949 -13.503 1.942 1.00 0.00 C ATOM 1412 CE2 PHE A 90 8.682 -15.500 1.736 1.00 0.00 C ATOM 1413 CZ PHE A 90 8.799 -14.208 2.193 1.00 0.00 C ATOM 0 H PHE A 90 10.625 -15.472 -1.928 1.00 0.00 H new ATOM 0 HA PHE A 90 12.874 -14.165 -0.800 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.692 -16.945 -0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.824 -16.135 0.734 1.00 0.00 H new ATOM 0 HD1 PHE A 90 11.867 -13.511 1.051 1.00 0.00 H new ATOM 0 HD2 PHE A 90 9.626 -17.081 0.674 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.048 -12.489 2.301 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.783 -16.066 1.930 1.00 0.00 H new ATOM 0 HZ PHE A 90 7.991 -13.752 2.746 1.00 0.00 H new ATOM 1423 N ASP A 91 14.713 -16.040 -1.016 1.00 0.00 N ATOM 1424 CA ASP A 91 15.852 -16.896 -1.361 1.00 0.00 C ATOM 1425 C ASP A 91 15.361 -18.335 -1.589 1.00 0.00 C ATOM 1426 O ASP A 91 15.938 -19.108 -2.355 1.00 0.00 O ATOM 1427 CB ASP A 91 16.866 -16.846 -0.208 1.00 0.00 C ATOM 1428 CG ASP A 91 18.035 -17.796 -0.351 1.00 0.00 C ATOM 1429 OD1 ASP A 91 19.032 -17.450 -1.033 1.00 0.00 O ATOM 1430 OD2 ASP A 91 17.997 -18.899 0.251 1.00 0.00 O ATOM 0 H ASP A 91 14.823 -15.561 -0.122 1.00 0.00 H new ATOM 0 HA ASP A 91 16.329 -16.547 -2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 91 17.250 -15.829 -0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 91 16.347 -17.069 0.724 1.00 0.00 H new ATOM 1435 N ASP A 92 14.259 -18.659 -0.930 1.00 0.00 N ATOM 1436 CA ASP A 92 13.588 -19.953 -1.057 1.00 0.00 C ATOM 1437 C ASP A 92 12.875 -20.102 -2.388 1.00 0.00 C ATOM 1438 O ASP A 92 12.504 -21.201 -2.762 1.00 0.00 O ATOM 1439 CB ASP A 92 12.561 -20.155 0.061 1.00 0.00 C ATOM 1440 CG ASP A 92 13.182 -20.378 1.404 1.00 0.00 C ATOM 1441 OD1 ASP A 92 13.598 -19.405 2.051 1.00 0.00 O ATOM 1442 OD2 ASP A 92 13.279 -21.542 1.838 1.00 0.00 O ATOM 0 H ASP A 92 13.795 -18.024 -0.281 1.00 0.00 H new ATOM 0 HA ASP A 92 14.373 -20.706 -0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 92 11.911 -19.281 0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.929 -21.009 -0.185 1.00 0.00 H new ATOM 1447 N GLY A 93 12.664 -19.002 -3.093 1.00 0.00 N ATOM 1448 CA GLY A 93 11.944 -19.058 -4.351 1.00 0.00 C ATOM 1449 C GLY A 93 10.443 -19.000 -4.144 1.00 0.00 C ATOM 1450 O GLY A 93 9.664 -19.269 -5.054 1.00 0.00 O ATOM 0 H GLY A 93 12.977 -18.071 -2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.256 -18.228 -4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.203 -19.977 -4.877 1.00 0.00 H new ATOM 1454 N ASP A 94 10.059 -18.671 -2.943 1.00 0.00 N ATOM 1455 CA ASP A 94 8.670 -18.569 -2.550 1.00 0.00 C ATOM 1456 C ASP A 94 8.264 -17.121 -2.606 1.00 0.00 C ATOM 1457 O ASP A 94 9.063 -16.247 -2.265 1.00 0.00 O ATOM 1458 CB ASP A 94 8.491 -19.130 -1.143 1.00 0.00 C ATOM 1459 CG ASP A 94 7.067 -19.099 -0.636 1.00 0.00 C ATOM 1460 OD1 ASP A 94 6.275 -19.988 -1.009 1.00 0.00 O ATOM 1461 OD2 ASP A 94 6.727 -18.229 0.176 1.00 0.00 O ATOM 0 H ASP A 94 10.713 -18.460 -2.189 1.00 0.00 H new ATOM 0 HA ASP A 94 8.039 -19.146 -3.226 1.00 0.00 H new ATOM 0 HB2 ASP A 94 8.847 -20.160 -1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 94 9.121 -18.564 -0.456 1.00 0.00 H new ATOM 1466 N GLU A 95 7.076 -16.862 -3.034 1.00 0.00 N ATOM 1467 CA GLU A 95 6.585 -15.509 -3.154 1.00 0.00 C ATOM 1468 C GLU A 95 5.630 -15.208 -2.037 1.00 0.00 C ATOM 1469 O GLU A 95 4.654 -15.937 -1.843 1.00 0.00 O ATOM 1470 CB GLU A 95 5.846 -15.332 -4.465 1.00 0.00 C ATOM 1471 CG GLU A 95 6.695 -15.331 -5.711 1.00 0.00 C ATOM 1472 CD GLU A 95 5.833 -15.314 -6.944 1.00 0.00 C ATOM 1473 OE1 GLU A 95 5.075 -14.342 -7.159 1.00 0.00 O ATOM 1474 OE2 GLU A 95 5.836 -16.321 -7.687 1.00 0.00 O ATOM 0 H GLU A 95 6.406 -17.578 -3.315 1.00 0.00 H new ATOM 0 HA GLU A 95 7.440 -14.834 -3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.108 -16.130 -4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.296 -14.392 -4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.352 -14.461 -5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.335 -16.213 -5.721 1.00 0.00 H new ATOM 1481 N ARG A 96 5.864 -14.134 -1.347 1.00 0.00 N ATOM 1482 CA ARG A 96 4.986 -13.709 -0.290 1.00 0.00 C ATOM 1483 C ARG A 96 4.752 -12.234 -0.414 1.00 0.00 C ATOM 1484 O ARG A 96 5.622 -11.503 -0.876 1.00 0.00 O ATOM 1485 CB ARG A 96 5.549 -14.036 1.090 1.00 0.00 C ATOM 1486 CG ARG A 96 4.640 -14.917 1.938 1.00 0.00 C ATOM 1487 CD ARG A 96 4.474 -16.285 1.313 1.00 0.00 C ATOM 1488 NE ARG A 96 3.527 -17.140 2.035 1.00 0.00 N ATOM 1489 CZ ARG A 96 3.406 -18.453 1.816 1.00 0.00 C ATOM 1490 NH1 ARG A 96 4.301 -19.089 1.069 1.00 0.00 N ATOM 1491 NH2 ARG A 96 2.412 -19.135 2.367 1.00 0.00 N ATOM 0 H ARG A 96 6.668 -13.525 -1.497 1.00 0.00 H new ATOM 0 HA ARG A 96 4.046 -14.251 -0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.511 -14.534 0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.737 -13.105 1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.058 -15.019 2.940 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.665 -14.442 2.046 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.136 -16.168 0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.444 -16.780 1.275 1.00 0.00 H new ATOM 0 HE ARG A 96 2.929 -16.711 2.741 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.082 -18.575 0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.207 -20.091 0.903 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.734 -18.658 2.962 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.325 -20.137 2.196 1.00 0.00 H new ATOM 1505 N THR A 97 3.602 -11.807 -0.024 1.00 0.00 N ATOM 1506 CA THR A 97 3.226 -10.439 -0.120 1.00 0.00 C ATOM 1507 C THR A 97 3.276 -9.771 1.267 1.00 0.00 C ATOM 1508 O THR A 97 2.516 -10.135 2.175 1.00 0.00 O ATOM 1509 CB THR A 97 1.817 -10.368 -0.725 1.00 0.00 C ATOM 1510 OG1 THR A 97 1.798 -11.121 -1.957 1.00 0.00 O ATOM 1511 CG2 THR A 97 1.429 -8.955 -1.027 1.00 0.00 C ATOM 0 H THR A 97 2.883 -12.409 0.378 1.00 0.00 H new ATOM 0 HA THR A 97 3.921 -9.899 -0.763 1.00 0.00 H new ATOM 0 HB THR A 97 1.112 -10.780 -0.003 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.901 -11.083 -2.350 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.426 -8.936 -1.454 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.442 -8.370 -0.108 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.135 -8.528 -1.739 1.00 0.00 H new ATOM 1519 N LEU A 98 4.201 -8.838 1.432 1.00 0.00 N ATOM 1520 CA LEU A 98 4.395 -8.122 2.690 1.00 0.00 C ATOM 1521 C LEU A 98 4.701 -6.643 2.449 1.00 0.00 C ATOM 1522 O LEU A 98 5.049 -6.252 1.339 1.00 0.00 O ATOM 1523 CB LEU A 98 5.470 -8.788 3.625 1.00 0.00 C ATOM 1524 CG LEU A 98 6.841 -9.178 3.041 1.00 0.00 C ATOM 1525 CD1 LEU A 98 7.781 -9.511 4.167 1.00 0.00 C ATOM 1526 CD2 LEU A 98 6.734 -10.397 2.152 1.00 0.00 C ATOM 0 H LEU A 98 4.844 -8.552 0.694 1.00 0.00 H new ATOM 0 HA LEU A 98 3.448 -8.189 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.650 -8.105 4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 98 5.025 -9.690 4.045 1.00 0.00 H new ATOM 0 HG LEU A 98 7.206 -8.336 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.753 -9.788 3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.894 -8.642 4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.378 -10.344 4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.718 -10.646 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.353 -11.238 2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.053 -10.187 1.327 1.00 0.00 H new ATOM 1538 N ARG A 99 4.486 -5.826 3.466 1.00 0.00 N ATOM 1539 CA ARG A 99 4.754 -4.387 3.403 1.00 0.00 C ATOM 1540 C ARG A 99 6.090 -4.076 4.069 1.00 0.00 C ATOM 1541 O ARG A 99 6.792 -4.995 4.499 1.00 0.00 O ATOM 1542 CB ARG A 99 3.658 -3.615 4.113 1.00 0.00 C ATOM 1543 CG ARG A 99 2.288 -3.755 3.506 1.00 0.00 C ATOM 1544 CD ARG A 99 1.280 -2.960 4.300 1.00 0.00 C ATOM 1545 NE ARG A 99 -0.066 -3.063 3.748 1.00 0.00 N ATOM 1546 CZ ARG A 99 -1.186 -2.844 4.448 1.00 0.00 C ATOM 1547 NH1 ARG A 99 -1.117 -2.517 5.730 1.00 0.00 N ATOM 1548 NH2 ARG A 99 -2.366 -2.963 3.861 1.00 0.00 N ATOM 0 H ARG A 99 4.119 -6.137 4.366 1.00 0.00 H new ATOM 0 HA ARG A 99 4.786 -4.089 2.355 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.615 -3.945 5.151 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.927 -2.559 4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.303 -3.408 2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.998 -4.805 3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.275 -3.312 5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.582 -1.913 4.322 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.160 -3.318 2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.209 -2.431 6.186 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -1.972 -2.351 6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.422 -3.221 2.876 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.220 -2.796 4.394 1.00 0.00 H new ATOM 1562 N ARG A 100 6.420 -2.767 4.238 1.00 0.00 N ATOM 1563 CA ARG A 100 7.700 -2.380 4.878 1.00 0.00 C ATOM 1564 C ARG A 100 7.706 -2.752 6.346 1.00 0.00 C ATOM 1565 O ARG A 100 8.748 -2.823 6.973 1.00 0.00 O ATOM 1566 CB ARG A 100 8.082 -0.889 4.737 1.00 0.00 C ATOM 1567 CG ARG A 100 8.336 -0.380 3.323 1.00 0.00 C ATOM 1568 CD ARG A 100 7.055 -0.019 2.611 1.00 0.00 C ATOM 1569 NE ARG A 100 6.358 1.084 3.277 1.00 0.00 N ATOM 1570 CZ ARG A 100 5.449 1.876 2.712 1.00 0.00 C ATOM 1571 NH1 ARG A 100 5.124 1.710 1.432 1.00 0.00 N ATOM 1572 NH2 ARG A 100 4.860 2.825 3.437 1.00 0.00 N ATOM 0 H ARG A 100 5.834 -1.984 3.948 1.00 0.00 H new ATOM 0 HA ARG A 100 8.454 -2.944 4.328 1.00 0.00 H new ATOM 0 HB2 ARG A 100 7.284 -0.290 5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 100 8.979 -0.710 5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.986 0.494 3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.864 -1.144 2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.277 0.260 1.581 1.00 0.00 H new ATOM 0 HD3 ARG A 100 6.402 -0.891 2.571 1.00 0.00 H new ATOM 0 HE ARG A 100 6.588 1.260 4.255 1.00 0.00 H new ATOM 0 HH11 ARG A 100 5.571 0.976 0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.428 2.317 1.000 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.106 2.942 4.420 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.163 3.435 3.009 1.00 0.00 H new ATOM 1586 N THR A 101 6.538 -3.053 6.860 1.00 0.00 N ATOM 1587 CA THR A 101 6.347 -3.471 8.214 1.00 0.00 C ATOM 1588 C THR A 101 6.846 -4.902 8.428 1.00 0.00 C ATOM 1589 O THR A 101 6.752 -5.454 9.523 1.00 0.00 O ATOM 1590 CB THR A 101 4.866 -3.373 8.540 1.00 0.00 C ATOM 1591 OG1 THR A 101 4.128 -3.832 7.390 1.00 0.00 O ATOM 1592 CG2 THR A 101 4.488 -1.940 8.851 1.00 0.00 C ATOM 0 H THR A 101 5.671 -3.010 6.324 1.00 0.00 H new ATOM 0 HA THR A 101 6.923 -2.825 8.876 1.00 0.00 H new ATOM 0 HB THR A 101 4.635 -3.983 9.414 1.00 0.00 H new ATOM 0 HG1 THR A 101 3.167 -3.780 7.576 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.424 -1.886 9.082 1.00 0.00 H new ATOM 0 HG22 THR A 101 5.064 -1.590 9.708 1.00 0.00 H new ATOM 0 HG23 THR A 101 4.704 -1.311 7.987 1.00 0.00 H new ATOM 1600 N SER A 102 7.310 -5.527 7.371 1.00 0.00 N ATOM 1601 CA SER A 102 7.920 -6.807 7.470 1.00 0.00 C ATOM 1602 C SER A 102 9.178 -6.839 6.570 1.00 0.00 C ATOM 1603 O SER A 102 9.810 -7.879 6.391 1.00 0.00 O ATOM 1604 CB SER A 102 6.901 -7.877 7.082 1.00 0.00 C ATOM 1605 OG SER A 102 5.698 -7.745 7.856 1.00 0.00 O ATOM 0 H SER A 102 7.269 -5.152 6.423 1.00 0.00 H new ATOM 0 HA SER A 102 8.240 -7.010 8.492 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.666 -7.793 6.021 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.331 -8.867 7.236 1.00 0.00 H new ATOM 0 HG SER A 102 5.060 -8.439 7.590 1.00 0.00 H new ATOM 1611 N LEU A 103 9.564 -5.667 6.053 1.00 0.00 N ATOM 1612 CA LEU A 103 10.727 -5.558 5.176 1.00 0.00 C ATOM 1613 C LEU A 103 11.807 -4.753 5.855 1.00 0.00 C ATOM 1614 O LEU A 103 11.534 -3.727 6.454 1.00 0.00 O ATOM 1615 CB LEU A 103 10.391 -4.897 3.831 1.00 0.00 C ATOM 1616 CG LEU A 103 9.355 -5.593 2.948 1.00 0.00 C ATOM 1617 CD1 LEU A 103 9.104 -4.789 1.684 1.00 0.00 C ATOM 1618 CD2 LEU A 103 9.803 -6.997 2.602 1.00 0.00 C ATOM 0 H LEU A 103 9.086 -4.783 6.229 1.00 0.00 H new ATOM 0 HA LEU A 103 11.068 -6.574 4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 103 10.039 -3.885 4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.315 -4.806 3.260 1.00 0.00 H new ATOM 0 HG LEU A 103 8.421 -5.659 3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.364 -5.300 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.733 -3.799 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 103 10.035 -4.690 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.051 -7.474 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 103 10.751 -6.955 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.930 -7.575 3.518 1.00 0.00 H new ATOM 1630 N CYS A 104 13.016 -5.201 5.733 1.00 0.00 N ATOM 1631 CA CYS A 104 14.135 -4.562 6.369 1.00 0.00 C ATOM 1632 C CYS A 104 15.025 -3.898 5.324 1.00 0.00 C ATOM 1633 O CYS A 104 16.078 -3.347 5.654 1.00 0.00 O ATOM 1634 CB CYS A 104 14.906 -5.603 7.219 1.00 0.00 C ATOM 1635 SG CYS A 104 16.288 -4.960 8.185 1.00 0.00 S ATOM 0 H CYS A 104 13.261 -6.026 5.186 1.00 0.00 H new ATOM 0 HA CYS A 104 13.786 -3.776 7.038 1.00 0.00 H new ATOM 0 HB2 CYS A 104 14.202 -6.081 7.901 1.00 0.00 H new ATOM 0 HB3 CYS A 104 15.283 -6.380 6.554 1.00 0.00 H new ATOM 0 HG CYS A 104 16.746 -3.882 7.622 1.00 0.00 H new ATOM 1641 N LEU A 105 14.549 -3.905 4.063 1.00 0.00 N ATOM 1642 CA LEU A 105 15.298 -3.397 2.890 1.00 0.00 C ATOM 1643 C LEU A 105 16.561 -4.209 2.669 1.00 0.00 C ATOM 1644 O LEU A 105 16.611 -5.039 1.794 1.00 0.00 O ATOM 1645 CB LEU A 105 15.595 -1.887 2.970 1.00 0.00 C ATOM 1646 CG LEU A 105 14.380 -0.952 2.913 1.00 0.00 C ATOM 1647 CD1 LEU A 105 14.819 0.489 3.076 1.00 0.00 C ATOM 1648 CD2 LEU A 105 13.619 -1.129 1.597 1.00 0.00 C ATOM 0 H LEU A 105 13.625 -4.266 3.825 1.00 0.00 H new ATOM 0 HA LEU A 105 14.652 -3.524 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 105 16.133 -1.693 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 105 16.266 -1.626 2.152 1.00 0.00 H new ATOM 0 HG LEU A 105 13.710 -1.211 3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.947 1.142 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 105 15.317 0.611 4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 105 15.509 0.752 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 105 12.762 -0.456 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.279 -0.898 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.273 -2.159 1.512 1.00 0.00 H new ATOM 1660 N LYS A 106 17.536 -4.010 3.478 1.00 0.00 N ATOM 1661 CA LYS A 106 18.702 -4.802 3.423 1.00 0.00 C ATOM 1662 C LYS A 106 19.082 -5.089 4.850 1.00 0.00 C ATOM 1663 O LYS A 106 19.094 -4.164 5.681 1.00 0.00 O ATOM 1664 CB LYS A 106 19.826 -4.091 2.675 1.00 0.00 C ATOM 1665 CG LYS A 106 20.860 -5.059 2.155 1.00 0.00 C ATOM 1666 CD LYS A 106 21.978 -4.386 1.393 1.00 0.00 C ATOM 1667 CE LYS A 106 22.870 -5.429 0.731 1.00 0.00 C ATOM 1668 NZ LYS A 106 23.339 -6.451 1.694 1.00 0.00 N ATOM 0 H LYS A 106 17.545 -3.289 4.199 1.00 0.00 H new ATOM 0 HA LYS A 106 18.522 -5.726 2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 106 19.407 -3.526 1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 106 20.305 -3.371 3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 106 21.283 -5.613 2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 106 20.373 -5.786 1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 106 21.562 -3.720 0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 106 22.569 -3.769 2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 106 22.321 -5.916 -0.075 1.00 0.00 H new ATOM 0 HE3 LYS A 106 23.730 -4.936 0.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 24.317 -6.720 1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 23.303 -6.062 2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 22.727 -7.290 1.636 1.00 0.00 H new ATOM 1682 N GLY A 107 19.375 -6.336 5.149 1.00 0.00 N ATOM 1683 CA GLY A 107 19.659 -6.760 6.511 1.00 0.00 C ATOM 1684 C GLY A 107 21.030 -6.357 7.013 1.00 0.00 C ATOM 1685 O GLY A 107 21.748 -7.168 7.603 1.00 0.00 O ATOM 0 H GLY A 107 19.424 -7.086 4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 107 18.903 -6.341 7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 107 19.568 -7.845 6.569 1.00 0.00 H new ATOM 1689 N GLU A 108 21.387 -5.116 6.762 1.00 0.00 N ATOM 1690 CA GLU A 108 22.610 -4.531 7.249 1.00 0.00 C ATOM 1691 C GLU A 108 22.331 -4.082 8.672 1.00 0.00 C ATOM 1692 O GLU A 108 23.190 -4.128 9.555 1.00 0.00 O ATOM 1693 CB GLU A 108 22.982 -3.314 6.395 1.00 0.00 C ATOM 1694 CG GLU A 108 23.142 -3.598 4.911 1.00 0.00 C ATOM 1695 CD GLU A 108 24.265 -4.554 4.607 1.00 0.00 C ATOM 1696 OE1 GLU A 108 25.430 -4.173 4.759 1.00 0.00 O ATOM 1697 OE2 GLU A 108 23.997 -5.685 4.168 1.00 0.00 O ATOM 0 H GLU A 108 20.822 -4.476 6.203 1.00 0.00 H new ATOM 0 HA GLU A 108 23.434 -5.244 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 108 22.215 -2.550 6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 108 23.915 -2.895 6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 108 22.209 -4.008 4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 108 23.320 -2.660 4.385 1.00 0.00 H new ATOM 1704 N ARG A 109 21.098 -3.666 8.874 1.00 0.00 N ATOM 1705 CA ARG A 109 20.608 -3.259 10.159 1.00 0.00 C ATOM 1706 C ARG A 109 19.659 -4.336 10.616 1.00 0.00 C ATOM 1707 O ARG A 109 19.326 -5.231 9.840 1.00 0.00 O ATOM 1708 CB ARG A 109 19.824 -1.909 10.112 1.00 0.00 C ATOM 1709 CG ARG A 109 20.603 -0.672 9.660 1.00 0.00 C ATOM 1710 CD ARG A 109 20.790 -0.617 8.152 1.00 0.00 C ATOM 1711 NE ARG A 109 21.635 0.512 7.741 1.00 0.00 N ATOM 1712 CZ ARG A 109 21.930 0.847 6.476 1.00 0.00 C ATOM 1713 NH1 ARG A 109 21.313 0.254 5.456 1.00 0.00 N ATOM 1714 NH2 ARG A 109 22.794 1.819 6.243 1.00 0.00 N ATOM 0 H ARG A 109 20.402 -3.603 8.131 1.00 0.00 H new ATOM 0 HA ARG A 109 21.457 -3.115 10.828 1.00 0.00 H new ATOM 0 HB2 ARG A 109 18.971 -2.035 9.445 1.00 0.00 H new ATOM 0 HB3 ARG A 109 19.425 -1.714 11.107 1.00 0.00 H new ATOM 0 HG2 ARG A 109 20.078 0.224 9.990 1.00 0.00 H new ATOM 0 HG3 ARG A 109 21.580 -0.665 10.144 1.00 0.00 H new ATOM 0 HD2 ARG A 109 21.239 -1.549 7.809 1.00 0.00 H new ATOM 0 HD3 ARG A 109 19.816 -0.535 7.669 1.00 0.00 H new ATOM 0 HE ARG A 109 22.032 1.091 8.481 1.00 0.00 H new ATOM 0 HH11 ARG A 109 20.609 -0.462 5.633 1.00 0.00 H new ATOM 0 HH12 ARG A 109 21.545 0.516 4.498 1.00 0.00 H new ATOM 0 HH21 ARG A 109 23.232 2.310 7.023 1.00 0.00 H new ATOM 0 HH22 ARG A 109 23.023 2.079 5.284 1.00 0.00 H new ATOM 1728 N HIS A 110 19.233 -4.263 11.839 1.00 0.00 N ATOM 1729 CA HIS A 110 18.232 -5.190 12.326 1.00 0.00 C ATOM 1730 C HIS A 110 16.848 -4.670 11.962 1.00 0.00 C ATOM 1731 O HIS A 110 16.701 -3.489 11.599 1.00 0.00 O ATOM 1732 CB HIS A 110 18.342 -5.428 13.855 1.00 0.00 C ATOM 1733 CG HIS A 110 18.232 -4.198 14.741 1.00 0.00 C ATOM 1734 ND1 HIS A 110 17.391 -3.122 14.489 1.00 0.00 N ATOM 1735 CD2 HIS A 110 18.874 -3.888 15.882 1.00 0.00 C ATOM 1736 CE1 HIS A 110 17.533 -2.231 15.436 1.00 0.00 C ATOM 1737 NE2 HIS A 110 18.417 -2.670 16.281 1.00 0.00 N ATOM 0 H HIS A 110 19.554 -3.578 12.523 1.00 0.00 H new ATOM 0 HA HIS A 110 18.403 -6.155 11.848 1.00 0.00 H new ATOM 0 HB2 HIS A 110 17.562 -6.131 14.148 1.00 0.00 H new ATOM 0 HB3 HIS A 110 19.298 -5.910 14.058 1.00 0.00 H new ATOM 0 HD2 HIS A 110 19.613 -4.492 16.387 1.00 0.00 H new ATOM 0 HE1 HIS A 110 17.006 -1.291 15.504 1.00 0.00 H new ATOM 0 HE2 HIS A 110 18.723 -2.175 17.119 1.00 0.00 H new ATOM 1746 N PHE A 111 15.850 -5.489 12.110 1.00 0.00 N ATOM 1747 CA PHE A 111 14.514 -5.082 11.799 1.00 0.00 C ATOM 1748 C PHE A 111 13.893 -4.384 13.010 1.00 0.00 C ATOM 1749 O PHE A 111 13.692 -3.171 12.998 1.00 0.00 O ATOM 1750 CB PHE A 111 13.664 -6.276 11.332 1.00 0.00 C ATOM 1751 CG PHE A 111 12.255 -5.903 10.978 1.00 0.00 C ATOM 1752 CD1 PHE A 111 11.974 -5.275 9.781 1.00 0.00 C ATOM 1753 CD2 PHE A 111 11.217 -6.157 11.857 1.00 0.00 C ATOM 1754 CE1 PHE A 111 10.688 -4.913 9.466 1.00 0.00 C ATOM 1755 CE2 PHE A 111 9.930 -5.792 11.547 1.00 0.00 C ATOM 1756 CZ PHE A 111 9.669 -5.169 10.352 1.00 0.00 C ATOM 0 H PHE A 111 15.937 -6.448 12.446 1.00 0.00 H new ATOM 0 HA PHE A 111 14.543 -4.373 10.971 1.00 0.00 H new ATOM 0 HB2 PHE A 111 14.140 -6.734 10.464 1.00 0.00 H new ATOM 0 HB3 PHE A 111 13.645 -7.029 12.120 1.00 0.00 H new ATOM 0 HD1 PHE A 111 12.774 -5.067 9.086 1.00 0.00 H new ATOM 0 HD2 PHE A 111 11.421 -6.648 12.797 1.00 0.00 H new ATOM 0 HE1 PHE A 111 10.477 -4.428 8.524 1.00 0.00 H new ATOM 0 HE2 PHE A 111 9.127 -5.994 12.240 1.00 0.00 H new ATOM 0 HZ PHE A 111 8.658 -4.879 10.107 1.00 0.00 H new ATOM 1766 N ALA A 112 13.628 -5.139 14.058 1.00 0.00 N ATOM 1767 CA ALA A 112 13.038 -4.594 15.280 1.00 0.00 C ATOM 1768 C ALA A 112 13.649 -5.285 16.488 1.00 0.00 C ATOM 1769 O ALA A 112 13.083 -5.293 17.589 1.00 0.00 O ATOM 1770 CB ALA A 112 11.527 -4.799 15.260 1.00 0.00 C ATOM 0 H ALA A 112 13.811 -6.142 14.094 1.00 0.00 H new ATOM 0 HA ALA A 112 13.244 -3.525 15.340 1.00 0.00 H new ATOM 0 HB1 ALA A 112 11.092 -4.391 16.173 1.00 0.00 H new ATOM 0 HB2 ALA A 112 11.102 -4.288 14.396 1.00 0.00 H new ATOM 0 HB3 ALA A 112 11.305 -5.864 15.197 1.00 0.00 H new ATOM 1776 N GLU A 113 14.816 -5.833 16.279 1.00 0.00 N ATOM 1777 CA GLU A 113 15.523 -6.592 17.290 1.00 0.00 C ATOM 1778 C GLU A 113 16.292 -5.655 18.227 1.00 0.00 C ATOM 1779 O GLU A 113 16.291 -4.426 18.034 1.00 0.00 O ATOM 1780 CB GLU A 113 16.492 -7.604 16.638 1.00 0.00 C ATOM 1781 CG GLU A 113 15.844 -8.644 15.704 1.00 0.00 C ATOM 1782 CD GLU A 113 15.289 -8.057 14.417 1.00 0.00 C ATOM 1783 OE1 GLU A 113 16.067 -7.735 13.527 1.00 0.00 O ATOM 1784 OE2 GLU A 113 14.058 -7.873 14.302 1.00 0.00 O ATOM 0 H GLU A 113 15.314 -5.767 15.391 1.00 0.00 H new ATOM 0 HA GLU A 113 14.787 -7.144 17.874 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.240 -7.049 16.071 1.00 0.00 H new ATOM 0 HB3 GLU A 113 17.021 -8.134 17.430 1.00 0.00 H new ATOM 0 HG2 GLU A 113 16.584 -9.405 15.455 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.038 -9.146 16.239 1.00 0.00 H new ATOM 1791 N SER A 114 16.938 -6.226 19.222 1.00 0.00 N ATOM 1792 CA SER A 114 17.713 -5.474 20.189 1.00 0.00 C ATOM 1793 C SER A 114 19.054 -5.072 19.564 1.00 0.00 C ATOM 1794 O SER A 114 19.451 -5.612 18.511 1.00 0.00 O ATOM 1795 CB SER A 114 17.933 -6.337 21.455 1.00 0.00 C ATOM 1796 OG SER A 114 18.598 -5.622 22.498 1.00 0.00 O ATOM 0 H SER A 114 16.941 -7.233 19.384 1.00 0.00 H new ATOM 0 HA SER A 114 17.177 -4.569 20.475 1.00 0.00 H new ATOM 0 HB2 SER A 114 16.969 -6.692 21.820 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.519 -7.218 21.193 1.00 0.00 H new ATOM 0 HG SER A 114 18.712 -6.208 23.275 1.00 0.00 H new ATOM 1802 N GLU A 115 19.732 -4.126 20.181 1.00 0.00 N ATOM 1803 CA GLU A 115 21.021 -3.683 19.706 1.00 0.00 C ATOM 1804 C GLU A 115 22.062 -4.746 20.025 1.00 0.00 C ATOM 1805 O GLU A 115 22.637 -5.367 19.125 1.00 0.00 O ATOM 1806 CB GLU A 115 21.425 -2.362 20.370 1.00 0.00 C ATOM 1807 CG GLU A 115 20.436 -1.231 20.179 1.00 0.00 C ATOM 1808 CD GLU A 115 20.202 -0.923 18.733 1.00 0.00 C ATOM 1809 OE1 GLU A 115 21.150 -0.475 18.033 1.00 0.00 O ATOM 1810 OE2 GLU A 115 19.093 -1.153 18.250 1.00 0.00 O ATOM 0 H GLU A 115 19.405 -3.647 21.020 1.00 0.00 H new ATOM 0 HA GLU A 115 20.960 -3.524 18.629 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.559 -2.534 21.438 1.00 0.00 H new ATOM 0 HB3 GLU A 115 22.392 -2.052 19.974 1.00 0.00 H new ATOM 0 HG2 GLU A 115 19.489 -1.495 20.650 1.00 0.00 H new ATOM 0 HG3 GLU A 115 20.805 -0.338 20.684 1.00 0.00 H new ATOM 1817 N THR A 116 22.274 -4.953 21.295 1.00 0.00 N ATOM 1818 CA THR A 116 23.221 -5.908 21.784 1.00 0.00 C ATOM 1819 C THR A 116 22.667 -6.485 23.081 1.00 0.00 C ATOM 1820 O THR A 116 22.205 -5.733 23.938 1.00 0.00 O ATOM 1821 CB THR A 116 24.594 -5.210 22.053 1.00 0.00 C ATOM 1822 OG1 THR A 116 25.109 -4.642 20.828 1.00 0.00 O ATOM 1823 CG2 THR A 116 25.622 -6.180 22.627 1.00 0.00 C ATOM 0 H THR A 116 21.781 -4.450 22.033 1.00 0.00 H new ATOM 0 HA THR A 116 23.379 -6.699 21.051 1.00 0.00 H new ATOM 0 HB THR A 116 24.420 -4.423 22.787 1.00 0.00 H new ATOM 0 HG1 THR A 116 25.968 -4.205 21.006 1.00 0.00 H new ATOM 0 HG21 THR A 116 26.561 -5.655 22.799 1.00 0.00 H new ATOM 0 HG22 THR A 116 25.254 -6.584 23.570 1.00 0.00 H new ATOM 0 HG23 THR A 116 25.786 -6.995 21.922 1.00 0.00 H new ATOM 1831 N LEU A 117 22.668 -7.789 23.214 1.00 0.00 N ATOM 1832 CA LEU A 117 22.176 -8.425 24.424 1.00 0.00 C ATOM 1833 C LEU A 117 23.227 -8.290 25.513 1.00 0.00 C ATOM 1834 O LEU A 117 24.421 -8.535 25.268 1.00 0.00 O ATOM 1835 CB LEU A 117 21.829 -9.920 24.204 1.00 0.00 C ATOM 1836 CG LEU A 117 20.685 -10.277 23.221 1.00 0.00 C ATOM 1837 CD1 LEU A 117 19.406 -9.530 23.550 1.00 0.00 C ATOM 1838 CD2 LEU A 117 21.087 -10.075 21.764 1.00 0.00 C ATOM 0 H LEU A 117 23.004 -8.437 22.501 1.00 0.00 H new ATOM 0 HA LEU A 117 21.254 -7.925 24.719 1.00 0.00 H new ATOM 0 HB2 LEU A 117 22.732 -10.422 23.858 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.578 -10.348 25.174 1.00 0.00 H new ATOM 0 HG LEU A 117 20.487 -11.341 23.351 1.00 0.00 H new ATOM 0 HD11 LEU A 117 18.629 -9.808 22.838 1.00 0.00 H new ATOM 0 HD12 LEU A 117 19.083 -9.788 24.559 1.00 0.00 H new ATOM 0 HD13 LEU A 117 19.586 -8.457 23.490 1.00 0.00 H new ATOM 0 HD21 LEU A 117 20.251 -10.339 21.116 1.00 0.00 H new ATOM 0 HD22 LEU A 117 21.356 -9.031 21.602 1.00 0.00 H new ATOM 0 HD23 LEU A 117 21.941 -10.710 21.531 1.00 0.00 H new ATOM 1850 N ASP A 118 22.810 -7.882 26.680 1.00 0.00 N ATOM 1851 CA ASP A 118 23.737 -7.668 27.774 1.00 0.00 C ATOM 1852 C ASP A 118 23.825 -8.899 28.624 1.00 0.00 C ATOM 1853 O ASP A 118 22.834 -9.235 29.290 1.00 0.00 O ATOM 1854 CB ASP A 118 23.347 -6.468 28.631 1.00 0.00 C ATOM 1855 CG ASP A 118 24.423 -6.131 29.635 1.00 0.00 C ATOM 1856 OD1 ASP A 118 25.419 -5.465 29.246 1.00 0.00 O ATOM 1857 OD2 ASP A 118 24.319 -6.523 30.816 1.00 0.00 O ATOM 1858 OXT ASP A 118 24.873 -9.552 28.635 1.00 0.00 O ATOM 0 H ASP A 118 21.834 -7.689 26.905 1.00 0.00 H new ATOM 0 HA ASP A 118 24.713 -7.455 27.337 1.00 0.00 H new ATOM 0 HB2 ASP A 118 23.164 -5.606 27.990 1.00 0.00 H new ATOM 0 HB3 ASP A 118 22.414 -6.681 29.153 1.00 0.00 H new TER 1863 ASP A 118