USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 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 Single : A 1 ALA N :NH3+ 147:sc= 0.0108 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 41:sc= 1.21 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 140:sc= 0.00658 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0607 USER MOD Single : A 17 THR OG1 : rot 99:sc= 1.2 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0383 K(o=-0.038,f=-1.1) USER MOD Single : A 30 THR OG1 : rot -150:sc= -0.999 USER MOD Single : A 32 TYR OH : rot 180:sc= -2.24! USER MOD Single : A 36 GLN : amide:sc= -2.52! C(o=-2.5!,f=-5.7!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 48 ASN : amide:sc= -0.0595 K(o=-0.06,f=-6.2!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0365 USER MOD Single : A 54 SER OG : rot -69:sc= 0.791 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 1.13 K(o=1.1,f=-0.29) USER MOD Single : A 62 SER OG : rot 57:sc= 1.22 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0305 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -72:sc= 1.25 USER MOD Single : A 81 THR OG1 : rot 119:sc= 1.02 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 90 THR OG1 : rot -46:sc= 0.774 USER MOD Single : A 94 GLN : amide:sc= -0.0805 K(o=-0.08,f=-2.4!) USER MOD Single : A 98 SER OG : rot -2:sc= 0.198 USER MOD Single : A 103 ASN : amide:sc= -0.0239 X(o=-0.024,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.451 K(o=0.45,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.607 5.420 15.803 1.00 0.00 N ATOM 2 CA ALA A 1 -17.109 4.215 15.106 1.00 0.00 C ATOM 3 C ALA A 1 -15.970 3.251 14.814 1.00 0.00 C ATOM 4 O ALA A 1 -14.873 3.669 14.439 1.00 0.00 O ATOM 5 CB ALA A 1 -17.814 4.604 13.816 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.171 6.246 15.519 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.686 5.284 16.831 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.611 5.578 15.550 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.825 3.715 15.758 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.177 3.707 13.315 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.655 5.258 14.044 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.115 5.126 13.163 1.00 0.00 H new ATOM 11 N ALA A 2 -16.232 1.963 14.997 1.00 0.00 N ATOM 12 CA ALA A 2 -15.233 0.934 14.752 1.00 0.00 C ATOM 13 C ALA A 2 -15.234 0.514 13.285 1.00 0.00 C ATOM 14 O ALA A 2 -16.254 0.060 12.761 1.00 0.00 O ATOM 15 CB ALA A 2 -15.488 -0.269 15.649 1.00 0.00 C ATOM 0 H ALA A 2 -17.133 1.606 15.316 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.251 1.346 14.986 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.734 -1.032 15.457 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.435 0.038 16.693 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.478 -0.675 15.440 1.00 0.00 H new ATOM 21 N PRO A 3 -14.094 0.670 12.598 1.00 0.00 N ATOM 22 CA PRO A 3 -13.963 0.306 11.188 1.00 0.00 C ATOM 23 C PRO A 3 -13.739 -1.196 11.002 1.00 0.00 C ATOM 24 O PRO A 3 -13.648 -1.948 11.974 1.00 0.00 O ATOM 25 CB PRO A 3 -12.730 1.096 10.753 1.00 0.00 C ATOM 26 CG PRO A 3 -11.883 1.161 11.977 1.00 0.00 C ATOM 27 CD PRO A 3 -12.836 1.220 13.143 1.00 0.00 C ATOM 0 HA PRO A 3 -14.859 0.530 10.609 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.208 0.600 9.934 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.999 2.092 10.402 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.234 0.288 12.048 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.237 2.038 11.957 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.474 0.631 13.986 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.968 2.241 13.501 1.00 0.00 H new ATOM 35 N THR A 4 -13.672 -1.628 9.753 1.00 0.00 N ATOM 36 CA THR A 4 -13.449 -3.028 9.442 1.00 0.00 C ATOM 37 C THR A 4 -12.408 -3.172 8.334 1.00 0.00 C ATOM 38 O THR A 4 -12.737 -3.149 7.147 1.00 0.00 O ATOM 39 CB THR A 4 -14.758 -3.705 9.005 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.828 -3.318 9.881 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.618 -5.217 9.012 1.00 0.00 C ATOM 0 H THR A 4 -13.770 -1.025 8.936 1.00 0.00 H new ATOM 0 HA THR A 4 -13.082 -3.516 10.345 1.00 0.00 H new ATOM 0 HB THR A 4 -14.983 -3.382 7.989 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.659 -3.752 9.595 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.558 -5.671 8.699 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.826 -5.512 8.324 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.369 -5.555 10.018 1.00 0.00 H new ATOM 49 N ALA A 5 -11.150 -3.301 8.725 1.00 0.00 N ATOM 50 CA ALA A 5 -10.066 -3.442 7.767 1.00 0.00 C ATOM 51 C ALA A 5 -9.744 -4.911 7.524 1.00 0.00 C ATOM 52 O ALA A 5 -8.977 -5.524 8.270 1.00 0.00 O ATOM 53 CB ALA A 5 -8.832 -2.689 8.242 1.00 0.00 C ATOM 0 H ALA A 5 -10.855 -3.311 9.701 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.388 -3.008 6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.031 -2.806 7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.071 -1.631 8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.509 -3.090 9.203 1.00 0.00 H new ATOM 59 N THR A 6 -10.354 -5.476 6.497 1.00 0.00 N ATOM 60 CA THR A 6 -10.128 -6.867 6.149 1.00 0.00 C ATOM 61 C THR A 6 -9.128 -6.967 5.006 1.00 0.00 C ATOM 62 O THR A 6 -9.475 -6.752 3.846 1.00 0.00 O ATOM 63 CB THR A 6 -11.440 -7.564 5.745 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.280 -6.645 5.038 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.174 -8.088 6.966 1.00 0.00 C ATOM 0 H THR A 6 -11.012 -4.990 5.888 1.00 0.00 H new ATOM 0 HA THR A 6 -9.728 -7.368 7.031 1.00 0.00 H new ATOM 0 HB THR A 6 -11.195 -8.408 5.100 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.736 -6.112 4.422 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.097 -8.576 6.654 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.543 -8.806 7.489 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.409 -7.258 7.633 1.00 0.00 H new ATOM 73 N VAL A 7 -7.880 -7.251 5.341 1.00 0.00 N ATOM 74 CA VAL A 7 -6.835 -7.373 4.338 1.00 0.00 C ATOM 75 C VAL A 7 -6.232 -8.774 4.357 1.00 0.00 C ATOM 76 O VAL A 7 -6.101 -9.387 5.419 1.00 0.00 O ATOM 77 CB VAL A 7 -5.717 -6.323 4.551 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.240 -4.917 4.294 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.126 -6.428 5.952 1.00 0.00 C ATOM 0 H VAL A 7 -7.566 -7.401 6.300 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.296 -7.192 3.367 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.923 -6.530 3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.437 -4.196 4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.599 -4.844 3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.059 -4.702 4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.343 -5.679 6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.909 -6.258 6.691 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.702 -7.422 6.095 1.00 0.00 H new ATOM 89 N THR A 8 -5.894 -9.285 3.184 1.00 0.00 N ATOM 90 CA THR A 8 -5.295 -10.604 3.066 1.00 0.00 C ATOM 91 C THR A 8 -3.835 -10.481 2.623 1.00 0.00 C ATOM 92 O THR A 8 -3.541 -10.457 1.426 1.00 0.00 O ATOM 93 CB THR A 8 -6.080 -11.472 2.065 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.396 -10.929 1.874 1.00 0.00 O ATOM 95 CG2 THR A 8 -6.191 -12.898 2.572 1.00 0.00 C ATOM 0 H THR A 8 -6.026 -8.802 2.295 1.00 0.00 H new ATOM 0 HA THR A 8 -5.331 -11.087 4.043 1.00 0.00 H new ATOM 0 HB THR A 8 -5.545 -11.474 1.115 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.890 -11.485 1.235 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.749 -13.498 1.853 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.193 -13.318 2.698 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.711 -12.904 3.530 1.00 0.00 H new ATOM 103 N PRO A 9 -2.901 -10.382 3.592 1.00 0.00 N ATOM 104 CA PRO A 9 -1.472 -10.236 3.303 1.00 0.00 C ATOM 105 C PRO A 9 -0.863 -11.486 2.679 1.00 0.00 C ATOM 106 O PRO A 9 -1.257 -12.608 2.997 1.00 0.00 O ATOM 107 CB PRO A 9 -0.852 -9.969 4.679 1.00 0.00 C ATOM 108 CG PRO A 9 -1.804 -10.570 5.651 1.00 0.00 C ATOM 109 CD PRO A 9 -3.170 -10.419 5.045 1.00 0.00 C ATOM 0 HA PRO A 9 -1.290 -9.445 2.576 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.136 -10.422 4.762 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.728 -8.901 4.856 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.570 -11.620 5.827 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.747 -10.065 6.615 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.821 -11.251 5.311 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.662 -9.508 5.385 1.00 0.00 H new ATOM 117 N SER A 10 0.101 -11.283 1.799 1.00 0.00 N ATOM 118 CA SER A 10 0.770 -12.379 1.119 1.00 0.00 C ATOM 119 C SER A 10 1.893 -12.968 1.973 1.00 0.00 C ATOM 120 O SER A 10 3.030 -13.105 1.518 1.00 0.00 O ATOM 121 CB SER A 10 1.328 -11.873 -0.209 1.00 0.00 C ATOM 122 OG SER A 10 1.828 -10.552 -0.072 1.00 0.00 O ATOM 0 H SER A 10 0.442 -10.358 1.536 1.00 0.00 H new ATOM 0 HA SER A 10 0.045 -13.173 0.941 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.124 -12.535 -0.551 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.547 -11.895 -0.969 1.00 0.00 H new ATOM 0 HG SER A 10 2.661 -10.463 -0.581 1.00 0.00 H new ATOM 128 N SER A 11 1.565 -13.326 3.204 1.00 0.00 N ATOM 129 CA SER A 11 2.538 -13.888 4.125 1.00 0.00 C ATOM 130 C SER A 11 2.898 -15.323 3.747 1.00 0.00 C ATOM 131 O SER A 11 2.049 -16.213 3.777 1.00 0.00 O ATOM 132 CB SER A 11 1.990 -13.835 5.551 1.00 0.00 C ATOM 133 OG SER A 11 1.614 -12.512 5.899 1.00 0.00 O ATOM 0 H SER A 11 0.625 -13.236 3.590 1.00 0.00 H new ATOM 0 HA SER A 11 3.449 -13.292 4.066 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.129 -14.497 5.639 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.744 -14.199 6.249 1.00 0.00 H new ATOM 0 HG SER A 11 1.265 -12.501 6.815 1.00 0.00 H new ATOM 139 N GLY A 12 4.151 -15.532 3.363 1.00 0.00 N ATOM 140 CA GLY A 12 4.603 -16.861 3.009 1.00 0.00 C ATOM 141 C GLY A 12 4.440 -17.175 1.539 1.00 0.00 C ATOM 142 O GLY A 12 4.606 -18.319 1.123 1.00 0.00 O ATOM 0 H GLY A 12 4.862 -14.804 3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.653 -16.965 3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.048 -17.594 3.594 1.00 0.00 H new ATOM 146 N LEU A 13 4.123 -16.167 0.749 1.00 0.00 N ATOM 147 CA LEU A 13 3.943 -16.356 -0.683 1.00 0.00 C ATOM 148 C LEU A 13 5.155 -15.831 -1.442 1.00 0.00 C ATOM 149 O LEU A 13 6.089 -15.311 -0.835 1.00 0.00 O ATOM 150 CB LEU A 13 2.659 -15.670 -1.152 1.00 0.00 C ATOM 151 CG LEU A 13 1.372 -16.453 -0.857 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.171 -15.525 -0.812 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.157 -17.538 -1.902 1.00 0.00 C ATOM 0 H LEU A 13 3.984 -15.209 1.071 1.00 0.00 H new ATOM 0 HA LEU A 13 3.851 -17.422 -0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.591 -14.692 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.726 -15.498 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 13 1.480 -16.923 0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.728 -16.104 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.315 -14.781 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.063 -15.023 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.240 -18.083 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.075 -17.082 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.001 -18.227 -1.890 1.00 0.00 H new ATOM 165 N SER A 14 5.150 -15.998 -2.754 1.00 0.00 N ATOM 166 CA SER A 14 6.256 -15.543 -3.584 1.00 0.00 C ATOM 167 C SER A 14 5.996 -14.138 -4.120 1.00 0.00 C ATOM 168 O SER A 14 5.001 -13.504 -3.769 1.00 0.00 O ATOM 169 CB SER A 14 6.459 -16.513 -4.748 1.00 0.00 C ATOM 170 OG SER A 14 5.521 -17.577 -4.691 1.00 0.00 O ATOM 0 H SER A 14 4.392 -16.446 -3.269 1.00 0.00 H new ATOM 0 HA SER A 14 7.157 -15.513 -2.971 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.353 -15.980 -5.693 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.472 -16.914 -4.720 1.00 0.00 H new ATOM 0 HG SER A 14 5.669 -18.184 -5.446 1.00 0.00 H new ATOM 176 N ASP A 15 6.900 -13.652 -4.963 1.00 0.00 N ATOM 177 CA ASP A 15 6.751 -12.331 -5.560 1.00 0.00 C ATOM 178 C ASP A 15 5.708 -12.382 -6.670 1.00 0.00 C ATOM 179 O ASP A 15 5.488 -13.431 -7.282 1.00 0.00 O ATOM 180 CB ASP A 15 8.087 -11.821 -6.115 1.00 0.00 C ATOM 181 CG ASP A 15 8.625 -12.689 -7.236 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.300 -13.697 -6.942 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.376 -12.368 -8.417 1.00 0.00 O ATOM 0 H ASP A 15 7.742 -14.152 -5.248 1.00 0.00 H new ATOM 0 HA ASP A 15 6.422 -11.639 -4.785 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.959 -10.802 -6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.819 -11.781 -5.309 1.00 0.00 H new ATOM 188 N GLY A 16 5.058 -11.257 -6.916 1.00 0.00 N ATOM 189 CA GLY A 16 4.037 -11.199 -7.941 1.00 0.00 C ATOM 190 C GLY A 16 2.689 -11.618 -7.403 1.00 0.00 C ATOM 191 O GLY A 16 1.742 -11.831 -8.162 1.00 0.00 O ATOM 0 H GLY A 16 5.219 -10.379 -6.423 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.973 -10.185 -8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.316 -11.847 -8.771 1.00 0.00 H new ATOM 195 N THR A 17 2.605 -11.744 -6.088 1.00 0.00 N ATOM 196 CA THR A 17 1.367 -12.140 -5.444 1.00 0.00 C ATOM 197 C THR A 17 0.403 -10.960 -5.343 1.00 0.00 C ATOM 198 O THR A 17 0.812 -9.825 -5.085 1.00 0.00 O ATOM 199 CB THR A 17 1.631 -12.727 -4.042 1.00 0.00 C ATOM 200 OG1 THR A 17 2.460 -13.889 -4.159 1.00 0.00 O ATOM 201 CG2 THR A 17 0.331 -13.107 -3.340 1.00 0.00 C ATOM 0 H THR A 17 3.381 -11.577 -5.447 1.00 0.00 H new ATOM 0 HA THR A 17 0.910 -12.913 -6.061 1.00 0.00 H new ATOM 0 HB THR A 17 2.130 -11.963 -3.446 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.390 -13.648 -3.966 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.556 -13.517 -2.355 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.295 -12.222 -3.230 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.197 -13.854 -3.932 1.00 0.00 H new ATOM 209 N VAL A 18 -0.871 -11.238 -5.557 1.00 0.00 N ATOM 210 CA VAL A 18 -1.899 -10.216 -5.500 1.00 0.00 C ATOM 211 C VAL A 18 -2.464 -10.087 -4.085 1.00 0.00 C ATOM 212 O VAL A 18 -3.183 -10.967 -3.610 1.00 0.00 O ATOM 213 CB VAL A 18 -3.047 -10.527 -6.484 1.00 0.00 C ATOM 214 CG1 VAL A 18 -3.977 -9.335 -6.610 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.498 -10.928 -7.848 1.00 0.00 C ATOM 0 H VAL A 18 -1.220 -12.172 -5.774 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.434 -9.272 -5.786 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.617 -11.368 -6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.780 -9.572 -7.308 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.402 -9.100 -5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.418 -8.475 -6.979 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.325 -11.142 -8.525 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.900 -10.112 -8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.876 -11.817 -7.743 1.00 0.00 H new ATOM 225 N VAL A 19 -2.121 -8.997 -3.413 1.00 0.00 N ATOM 226 CA VAL A 19 -2.602 -8.746 -2.062 1.00 0.00 C ATOM 227 C VAL A 19 -3.978 -8.093 -2.122 1.00 0.00 C ATOM 228 O VAL A 19 -4.146 -7.035 -2.734 1.00 0.00 O ATOM 229 CB VAL A 19 -1.641 -7.831 -1.271 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.064 -7.727 0.188 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.210 -8.333 -1.380 1.00 0.00 C ATOM 0 H VAL A 19 -1.509 -8.270 -3.783 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.658 -9.705 -1.547 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.689 -6.834 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.371 -7.077 0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.070 -7.311 0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.055 -8.718 0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.451 -7.675 -0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.147 -9.343 -0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.094 -8.342 -2.427 1.00 0.00 H new ATOM 241 N LYS A 20 -4.963 -8.724 -1.503 1.00 0.00 N ATOM 242 CA LYS A 20 -6.318 -8.198 -1.502 1.00 0.00 C ATOM 243 C LYS A 20 -6.544 -7.295 -0.294 1.00 0.00 C ATOM 244 O LYS A 20 -6.344 -7.703 0.852 1.00 0.00 O ATOM 245 CB LYS A 20 -7.331 -9.342 -1.505 1.00 0.00 C ATOM 246 CG LYS A 20 -8.715 -8.923 -1.972 1.00 0.00 C ATOM 247 CD LYS A 20 -9.666 -10.108 -2.021 1.00 0.00 C ATOM 248 CE LYS A 20 -9.337 -11.041 -3.174 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.109 -12.309 -3.100 1.00 0.00 N ATOM 0 H LYS A 20 -4.849 -9.601 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.457 -7.605 -2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.964 -10.140 -2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.405 -9.754 -0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.113 -8.163 -1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.645 -8.469 -2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.613 -10.657 -1.081 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.690 -9.749 -2.123 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.551 -10.540 -4.118 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.270 -11.265 -3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.855 -12.917 -3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.886 -12.800 -2.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.127 -12.098 -3.133 1.00 0.00 H new ATOM 263 N VAL A 21 -6.954 -6.066 -0.563 1.00 0.00 N ATOM 264 CA VAL A 21 -7.209 -5.089 0.482 1.00 0.00 C ATOM 265 C VAL A 21 -8.661 -4.627 0.423 1.00 0.00 C ATOM 266 O VAL A 21 -9.065 -3.957 -0.527 1.00 0.00 O ATOM 267 CB VAL A 21 -6.269 -3.869 0.347 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.682 -2.743 1.290 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.823 -4.280 0.599 1.00 0.00 C ATOM 0 H VAL A 21 -7.119 -5.719 -1.508 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.017 -5.566 1.443 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.351 -3.493 -0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.001 -1.900 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.698 -2.425 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.643 -3.098 2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.175 -3.409 0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.731 -4.688 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.528 -5.037 -0.128 1.00 0.00 H new ATOM 279 N ALA A 22 -9.446 -5.011 1.418 1.00 0.00 N ATOM 280 CA ALA A 22 -10.849 -4.627 1.466 1.00 0.00 C ATOM 281 C ALA A 22 -11.166 -3.894 2.763 1.00 0.00 C ATOM 282 O ALA A 22 -11.281 -4.506 3.825 1.00 0.00 O ATOM 283 CB ALA A 22 -11.740 -5.852 1.308 1.00 0.00 C ATOM 0 H ALA A 22 -9.137 -5.587 2.201 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.047 -3.947 0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.786 -5.548 1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.535 -6.330 0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.537 -6.556 2.115 1.00 0.00 H new ATOM 289 N GLY A 23 -11.304 -2.581 2.674 1.00 0.00 N ATOM 290 CA GLY A 23 -11.600 -1.791 3.848 1.00 0.00 C ATOM 291 C GLY A 23 -13.050 -1.363 3.902 1.00 0.00 C ATOM 292 O GLY A 23 -13.556 -0.746 2.964 1.00 0.00 O ATOM 0 H GLY A 23 -11.216 -2.048 1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.360 -2.368 4.741 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.962 -0.907 3.859 1.00 0.00 H new ATOM 296 N ALA A 24 -13.718 -1.701 4.992 1.00 0.00 N ATOM 297 CA ALA A 24 -15.114 -1.344 5.185 1.00 0.00 C ATOM 298 C ALA A 24 -15.248 -0.391 6.365 1.00 0.00 C ATOM 299 O ALA A 24 -14.431 -0.419 7.291 1.00 0.00 O ATOM 300 CB ALA A 24 -15.960 -2.591 5.403 1.00 0.00 C ATOM 0 H ALA A 24 -13.311 -2.228 5.765 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.476 -0.843 4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.002 -2.304 5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.879 -3.242 4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.606 -3.121 6.287 1.00 0.00 H new ATOM 306 N GLY A 25 -16.273 0.447 6.336 1.00 0.00 N ATOM 307 CA GLY A 25 -16.469 1.404 7.405 1.00 0.00 C ATOM 308 C GLY A 25 -15.588 2.622 7.211 1.00 0.00 C ATOM 309 O GLY A 25 -15.108 3.218 8.175 1.00 0.00 O ATOM 0 H GLY A 25 -16.971 0.482 5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.515 1.709 7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.243 0.936 8.363 1.00 0.00 H new ATOM 313 N LEU A 26 -15.376 2.981 5.954 1.00 0.00 N ATOM 314 CA LEU A 26 -14.537 4.113 5.598 1.00 0.00 C ATOM 315 C LEU A 26 -15.389 5.338 5.277 1.00 0.00 C ATOM 316 O LEU A 26 -16.558 5.408 5.658 1.00 0.00 O ATOM 317 CB LEU A 26 -13.662 3.747 4.394 1.00 0.00 C ATOM 318 CG LEU A 26 -12.807 2.490 4.560 1.00 0.00 C ATOM 319 CD1 LEU A 26 -12.041 2.202 3.280 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.842 2.650 5.727 1.00 0.00 C ATOM 0 H LEU A 26 -15.781 2.496 5.153 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.898 4.356 6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.307 3.615 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.003 4.588 4.177 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.467 1.649 4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.436 1.305 3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.744 2.049 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.392 3.046 3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.242 1.746 5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.187 3.501 5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.406 2.818 6.645 1.00 0.00 H new ATOM 332 N GLN A 27 -14.806 6.292 4.567 1.00 0.00 N ATOM 333 CA GLN A 27 -15.508 7.515 4.210 1.00 0.00 C ATOM 334 C GLN A 27 -15.897 7.508 2.731 1.00 0.00 C ATOM 335 O GLN A 27 -15.032 7.492 1.855 1.00 0.00 O ATOM 336 CB GLN A 27 -14.622 8.724 4.508 1.00 0.00 C ATOM 337 CG GLN A 27 -15.388 10.025 4.686 1.00 0.00 C ATOM 338 CD GLN A 27 -16.170 10.072 5.984 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.793 9.443 6.975 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.250 10.835 5.995 1.00 0.00 N ATOM 0 H GLN A 27 -13.846 6.242 4.226 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.420 7.576 4.804 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.048 8.526 5.413 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.905 8.845 3.696 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.688 10.860 4.658 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.074 10.155 3.849 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.527 11.339 5.153 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.806 10.920 6.846 1.00 0.00 H new ATOM 349 N ALA A 28 -17.199 7.528 2.465 1.00 0.00 N ATOM 350 CA ALA A 28 -17.711 7.526 1.097 1.00 0.00 C ATOM 351 C ALA A 28 -17.268 8.778 0.356 1.00 0.00 C ATOM 352 O ALA A 28 -17.493 9.900 0.818 1.00 0.00 O ATOM 353 CB ALA A 28 -19.229 7.432 1.099 1.00 0.00 C ATOM 0 H ALA A 28 -17.924 7.546 3.183 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.304 6.655 0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.595 7.432 0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.536 6.511 1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.646 8.286 1.632 1.00 0.00 H new ATOM 359 N GLY A 29 -16.641 8.582 -0.794 1.00 0.00 N ATOM 360 CA GLY A 29 -16.173 9.705 -1.579 1.00 0.00 C ATOM 361 C GLY A 29 -14.704 9.992 -1.357 1.00 0.00 C ATOM 362 O GLY A 29 -14.166 10.960 -1.891 1.00 0.00 O ATOM 0 H GLY A 29 -16.448 7.665 -1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.345 9.503 -2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.756 10.590 -1.325 1.00 0.00 H new ATOM 366 N THR A 30 -14.052 9.164 -0.560 1.00 0.00 N ATOM 367 CA THR A 30 -12.641 9.345 -0.285 1.00 0.00 C ATOM 368 C THR A 30 -11.807 8.347 -1.080 1.00 0.00 C ATOM 369 O THR A 30 -12.136 7.160 -1.146 1.00 0.00 O ATOM 370 CB THR A 30 -12.344 9.195 1.219 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.203 10.067 1.967 1.00 0.00 O ATOM 372 CG2 THR A 30 -10.890 9.522 1.527 1.00 0.00 C ATOM 0 H THR A 30 -14.477 8.362 -0.094 1.00 0.00 H new ATOM 0 HA THR A 30 -12.371 10.356 -0.591 1.00 0.00 H new ATOM 0 HB THR A 30 -12.528 8.159 1.503 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.750 10.345 2.790 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.710 9.407 2.596 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.240 8.844 0.975 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.678 10.549 1.231 1.00 0.00 H new ATOM 380 N ALA A 31 -10.752 8.844 -1.708 1.00 0.00 N ATOM 381 CA ALA A 31 -9.866 8.006 -2.492 1.00 0.00 C ATOM 382 C ALA A 31 -8.715 7.505 -1.636 1.00 0.00 C ATOM 383 O ALA A 31 -8.024 8.289 -0.980 1.00 0.00 O ATOM 384 CB ALA A 31 -9.348 8.767 -3.697 1.00 0.00 C ATOM 0 H ALA A 31 -10.490 9.830 -1.688 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.428 7.143 -2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.684 8.124 -4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.187 9.077 -4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.800 9.648 -3.363 1.00 0.00 H new ATOM 390 N TYR A 32 -8.515 6.203 -1.644 1.00 0.00 N ATOM 391 CA TYR A 32 -7.459 5.585 -0.867 1.00 0.00 C ATOM 392 C TYR A 32 -6.330 5.110 -1.772 1.00 0.00 C ATOM 393 O TYR A 32 -6.557 4.420 -2.767 1.00 0.00 O ATOM 394 CB TYR A 32 -8.017 4.422 -0.043 1.00 0.00 C ATOM 395 CG TYR A 32 -8.997 4.865 1.021 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.320 5.157 0.704 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.598 5.001 2.345 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.213 5.571 1.673 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.485 5.415 3.321 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.791 5.699 2.981 1.00 0.00 C ATOM 401 OH TYR A 32 -11.681 6.114 3.950 1.00 0.00 O ATOM 0 H TYR A 32 -9.076 5.546 -2.186 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.053 6.330 -0.183 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.510 3.715 -0.711 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.191 3.891 0.431 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.655 5.058 -0.318 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.576 4.779 2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.236 5.793 1.409 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.157 5.516 4.345 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.226 6.151 4.817 1.00 0.00 H new ATOM 411 N ASP A 33 -5.120 5.499 -1.417 1.00 0.00 N ATOM 412 CA ASP A 33 -3.932 5.133 -2.168 1.00 0.00 C ATOM 413 C ASP A 33 -3.342 3.864 -1.580 1.00 0.00 C ATOM 414 O ASP A 33 -2.968 3.833 -0.404 1.00 0.00 O ATOM 415 CB ASP A 33 -2.906 6.268 -2.112 1.00 0.00 C ATOM 416 CG ASP A 33 -1.933 6.245 -3.274 1.00 0.00 C ATOM 417 OD1 ASP A 33 -1.236 5.231 -3.455 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.847 7.262 -4.001 1.00 0.00 O ATOM 0 H ASP A 33 -4.932 6.078 -0.599 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.199 4.959 -3.210 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.430 7.224 -2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.349 6.201 -1.177 1.00 0.00 H new ATOM 423 N VAL A 34 -3.288 2.811 -2.382 1.00 0.00 N ATOM 424 CA VAL A 34 -2.759 1.539 -1.924 1.00 0.00 C ATOM 425 C VAL A 34 -1.652 1.045 -2.846 1.00 0.00 C ATOM 426 O VAL A 34 -1.868 0.855 -4.047 1.00 0.00 O ATOM 427 CB VAL A 34 -3.864 0.456 -1.843 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.385 -0.744 -1.035 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.142 1.024 -1.241 1.00 0.00 C ATOM 0 H VAL A 34 -3.604 2.814 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.356 1.708 -0.926 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.083 0.125 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.176 -1.492 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.504 -1.175 -1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.131 -0.424 -0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.901 0.243 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.938 1.391 -0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.503 1.845 -1.861 1.00 0.00 H new ATOM 439 N GLY A 35 -0.466 0.859 -2.283 1.00 0.00 N ATOM 440 CA GLY A 35 0.660 0.375 -3.056 1.00 0.00 C ATOM 441 C GLY A 35 1.607 -0.440 -2.204 1.00 0.00 C ATOM 442 O GLY A 35 1.464 -0.483 -0.982 1.00 0.00 O ATOM 0 H GLY A 35 -0.263 1.036 -1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.299 -0.234 -3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.195 1.220 -3.490 1.00 0.00 H new ATOM 446 N GLN A 36 2.560 -1.106 -2.834 1.00 0.00 N ATOM 447 CA GLN A 36 3.524 -1.898 -2.091 1.00 0.00 C ATOM 448 C GLN A 36 4.698 -1.014 -1.707 1.00 0.00 C ATOM 449 O GLN A 36 5.273 -0.328 -2.551 1.00 0.00 O ATOM 450 CB GLN A 36 3.998 -3.111 -2.895 1.00 0.00 C ATOM 451 CG GLN A 36 4.537 -2.766 -4.271 1.00 0.00 C ATOM 452 CD GLN A 36 5.585 -3.747 -4.762 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.654 -4.050 -5.949 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.420 -4.239 -3.857 1.00 0.00 N ATOM 0 H GLN A 36 2.686 -1.115 -3.846 1.00 0.00 H new ATOM 0 HA GLN A 36 3.044 -2.282 -1.191 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.775 -3.627 -2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.167 -3.808 -3.006 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.711 -2.739 -4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.968 -1.765 -4.245 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.332 -3.964 -2.879 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.150 -4.893 -4.139 1.00 0.00 H new ATOM 463 N CYS A 37 5.029 -1.007 -0.432 1.00 0.00 N ATOM 464 CA CYS A 37 6.118 -0.191 0.066 1.00 0.00 C ATOM 465 C CYS A 37 7.069 -1.023 0.913 1.00 0.00 C ATOM 466 O CYS A 37 6.895 -2.232 1.045 1.00 0.00 O ATOM 467 CB CYS A 37 5.547 0.962 0.893 1.00 0.00 C ATOM 468 SG CYS A 37 3.782 1.299 0.567 1.00 0.00 S ATOM 0 H CYS A 37 4.556 -1.561 0.282 1.00 0.00 H new ATOM 0 HA CYS A 37 6.678 0.208 -0.779 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.675 0.736 1.952 1.00 0.00 H new ATOM 0 HB3 CYS A 37 6.123 1.864 0.688 1.00 0.00 H new ATOM 473 N ALA A 38 8.084 -0.375 1.462 1.00 0.00 N ATOM 474 CA ALA A 38 9.048 -1.045 2.318 1.00 0.00 C ATOM 475 C ALA A 38 9.868 -0.027 3.087 1.00 0.00 C ATOM 476 O ALA A 38 10.004 1.123 2.659 1.00 0.00 O ATOM 477 CB ALA A 38 9.958 -1.952 1.505 1.00 0.00 C ATOM 0 H ALA A 38 8.261 0.621 1.328 1.00 0.00 H new ATOM 0 HA ALA A 38 8.500 -1.663 3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.671 -2.442 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.359 -2.706 0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.498 -1.359 0.767 1.00 0.00 H new ATOM 483 N TRP A 39 10.387 -0.450 4.232 1.00 0.00 N ATOM 484 CA TRP A 39 11.208 0.400 5.081 1.00 0.00 C ATOM 485 C TRP A 39 12.494 0.785 4.356 1.00 0.00 C ATOM 486 O TRP A 39 13.385 -0.048 4.175 1.00 0.00 O ATOM 487 CB TRP A 39 11.538 -0.341 6.378 1.00 0.00 C ATOM 488 CG TRP A 39 11.505 0.516 7.608 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.412 1.119 8.163 1.00 0.00 C ATOM 490 CD2 TRP A 39 12.614 0.838 8.453 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.778 1.802 9.298 1.00 0.00 N ATOM 492 CE2 TRP A 39 12.125 1.645 9.498 1.00 0.00 C ATOM 493 CE3 TRP A 39 13.973 0.519 8.430 1.00 0.00 C ATOM 494 CZ2 TRP A 39 12.949 2.135 10.508 1.00 0.00 C ATOM 495 CZ3 TRP A 39 14.792 1.012 9.430 1.00 0.00 C ATOM 496 CH2 TRP A 39 14.276 1.809 10.458 1.00 0.00 C ATOM 0 H TRP A 39 10.250 -1.392 4.598 1.00 0.00 H new ATOM 0 HA TRP A 39 10.657 1.310 5.316 1.00 0.00 H new ATOM 0 HB2 TRP A 39 10.831 -1.162 6.503 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.529 -0.785 6.286 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.408 1.067 7.768 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.149 2.339 9.895 1.00 0.00 H new ATOM 0 HE3 TRP A 39 14.378 -0.102 7.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 12.554 2.751 11.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 15.846 0.778 9.417 1.00 0.00 H new ATOM 0 HH2 TRP A 39 14.940 2.174 11.228 1.00 0.00 H new ATOM 507 N VAL A 40 12.586 2.040 3.937 1.00 0.00 N ATOM 508 CA VAL A 40 13.759 2.508 3.216 1.00 0.00 C ATOM 509 C VAL A 40 14.697 3.283 4.142 1.00 0.00 C ATOM 510 O VAL A 40 15.918 3.135 4.063 1.00 0.00 O ATOM 511 CB VAL A 40 13.371 3.367 1.984 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.727 4.689 2.391 1.00 0.00 C ATOM 513 CG2 VAL A 40 14.587 3.607 1.103 1.00 0.00 C ATOM 0 H VAL A 40 11.866 2.748 4.083 1.00 0.00 H new ATOM 0 HA VAL A 40 14.287 1.628 2.850 1.00 0.00 H new ATOM 0 HB VAL A 40 12.628 2.810 1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.471 5.259 1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.823 4.491 2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.426 5.262 2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.299 4.211 0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.353 4.131 1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 40 14.982 2.651 0.759 1.00 0.00 H new ATOM 523 N ASP A 41 14.118 4.066 5.046 1.00 0.00 N ATOM 524 CA ASP A 41 14.887 4.869 5.993 1.00 0.00 C ATOM 525 C ASP A 41 14.248 4.771 7.372 1.00 0.00 C ATOM 526 O ASP A 41 13.139 4.253 7.502 1.00 0.00 O ATOM 527 CB ASP A 41 14.949 6.332 5.525 1.00 0.00 C ATOM 528 CG ASP A 41 15.776 7.226 6.434 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.837 6.778 6.917 1.00 0.00 O ATOM 530 OD2 ASP A 41 15.368 8.379 6.670 1.00 0.00 O ATOM 0 H ASP A 41 13.107 4.163 5.144 1.00 0.00 H new ATOM 0 HA ASP A 41 15.907 4.489 6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.366 6.366 4.519 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.936 6.728 5.463 1.00 0.00 H new ATOM 535 N THR A 42 14.946 5.259 8.391 1.00 0.00 N ATOM 536 CA THR A 42 14.451 5.219 9.761 1.00 0.00 C ATOM 537 C THR A 42 13.130 5.976 9.918 1.00 0.00 C ATOM 538 O THR A 42 13.117 7.195 10.106 1.00 0.00 O ATOM 539 CB THR A 42 15.487 5.803 10.740 1.00 0.00 C ATOM 540 OG1 THR A 42 16.805 5.398 10.345 1.00 0.00 O ATOM 541 CG2 THR A 42 15.214 5.335 12.161 1.00 0.00 C ATOM 0 H THR A 42 15.865 5.691 8.292 1.00 0.00 H new ATOM 0 HA THR A 42 14.277 4.169 9.996 1.00 0.00 H new ATOM 0 HB THR A 42 15.412 6.890 10.714 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.463 5.772 10.968 1.00 0.00 H new ATOM 0 HG21 THR A 42 15.959 5.761 12.834 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.220 5.661 12.467 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.267 4.247 12.202 1.00 0.00 H new ATOM 549 N GLY A 43 12.025 5.247 9.814 1.00 0.00 N ATOM 550 CA GLY A 43 10.715 5.847 9.966 1.00 0.00 C ATOM 551 C GLY A 43 10.118 6.311 8.652 1.00 0.00 C ATOM 552 O GLY A 43 9.013 6.857 8.628 1.00 0.00 O ATOM 0 H GLY A 43 12.015 4.245 9.626 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.043 5.125 10.429 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.787 6.696 10.645 1.00 0.00 H new ATOM 556 N VAL A 44 10.831 6.089 7.556 1.00 0.00 N ATOM 557 CA VAL A 44 10.352 6.507 6.245 1.00 0.00 C ATOM 558 C VAL A 44 10.253 5.317 5.299 1.00 0.00 C ATOM 559 O VAL A 44 11.163 4.488 5.222 1.00 0.00 O ATOM 560 CB VAL A 44 11.262 7.579 5.607 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.550 8.262 4.447 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.709 8.605 6.639 1.00 0.00 C ATOM 0 H VAL A 44 11.739 5.624 7.548 1.00 0.00 H new ATOM 0 HA VAL A 44 9.364 6.940 6.401 1.00 0.00 H new ATOM 0 HB VAL A 44 12.152 7.080 5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.206 9.014 4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.293 7.521 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.640 8.741 4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.348 9.347 6.161 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.835 9.099 7.064 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.264 8.105 7.432 1.00 0.00 H new ATOM 572 N LEU A 45 9.144 5.242 4.585 1.00 0.00 N ATOM 573 CA LEU A 45 8.907 4.168 3.633 1.00 0.00 C ATOM 574 C LEU A 45 8.533 4.771 2.287 1.00 0.00 C ATOM 575 O LEU A 45 8.316 5.977 2.187 1.00 0.00 O ATOM 576 CB LEU A 45 7.790 3.237 4.125 1.00 0.00 C ATOM 577 CG LEU A 45 8.009 2.615 5.508 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.333 3.449 6.588 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.498 1.182 5.534 1.00 0.00 C ATOM 0 H LEU A 45 8.384 5.920 4.647 1.00 0.00 H new ATOM 0 HA LEU A 45 9.816 3.575 3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.855 3.798 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.666 2.433 3.400 1.00 0.00 H new ATOM 0 HG LEU A 45 9.080 2.601 5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.501 2.989 7.562 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.751 4.456 6.585 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.262 3.500 6.391 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.661 0.755 6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.432 1.172 5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.034 0.591 4.791 1.00 0.00 H new ATOM 591 N ALA A 46 8.467 3.945 1.256 1.00 0.00 N ATOM 592 CA ALA A 46 8.118 4.419 -0.076 1.00 0.00 C ATOM 593 C ALA A 46 7.440 3.314 -0.875 1.00 0.00 C ATOM 594 O ALA A 46 7.866 2.161 -0.816 1.00 0.00 O ATOM 595 CB ALA A 46 9.363 4.912 -0.789 1.00 0.00 C ATOM 0 H ALA A 46 8.650 2.943 1.314 1.00 0.00 H new ATOM 0 HA ALA A 46 7.416 5.248 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.096 5.265 -1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.808 5.729 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.081 4.096 -0.874 1.00 0.00 H new ATOM 601 N CYS A 47 6.390 3.661 -1.614 1.00 0.00 N ATOM 602 CA CYS A 47 5.652 2.677 -2.404 1.00 0.00 C ATOM 603 C CYS A 47 5.858 2.888 -3.899 1.00 0.00 C ATOM 604 O CYS A 47 6.424 3.897 -4.316 1.00 0.00 O ATOM 605 CB CYS A 47 4.158 2.747 -2.092 1.00 0.00 C ATOM 606 SG CYS A 47 3.771 3.109 -0.352 1.00 0.00 S ATOM 0 H CYS A 47 6.031 4.613 -1.683 1.00 0.00 H new ATOM 0 HA CYS A 47 6.039 1.695 -2.133 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.703 3.513 -2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.697 1.797 -2.364 1.00 0.00 H new ATOM 611 N ASN A 48 5.375 1.941 -4.697 1.00 0.00 N ATOM 612 CA ASN A 48 5.508 2.008 -6.148 1.00 0.00 C ATOM 613 C ASN A 48 4.357 2.795 -6.780 1.00 0.00 C ATOM 614 O ASN A 48 3.201 2.636 -6.400 1.00 0.00 O ATOM 615 CB ASN A 48 5.576 0.593 -6.737 1.00 0.00 C ATOM 616 CG ASN A 48 4.316 -0.228 -6.506 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.600 -0.049 -5.519 1.00 0.00 O ATOM 618 ND2 ASN A 48 4.049 -1.155 -7.409 1.00 0.00 N ATOM 0 H ASN A 48 4.885 1.113 -4.360 1.00 0.00 H new ATOM 0 HA ASN A 48 6.434 2.535 -6.378 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.761 0.664 -7.809 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.426 0.068 -6.301 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.228 -1.750 -7.301 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.664 -1.275 -8.214 1.00 0.00 H new ATOM 625 N PRO A 49 4.666 3.677 -7.745 1.00 0.00 N ATOM 626 CA PRO A 49 3.664 4.494 -8.428 1.00 0.00 C ATOM 627 C PRO A 49 3.156 3.882 -9.736 1.00 0.00 C ATOM 628 O PRO A 49 2.296 4.459 -10.406 1.00 0.00 O ATOM 629 CB PRO A 49 4.457 5.765 -8.712 1.00 0.00 C ATOM 630 CG PRO A 49 5.834 5.275 -9.015 1.00 0.00 C ATOM 631 CD PRO A 49 6.026 4.004 -8.212 1.00 0.00 C ATOM 0 HA PRO A 49 2.759 4.623 -7.834 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.037 6.318 -9.552 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.453 6.437 -7.854 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.951 5.081 -10.081 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.580 6.022 -8.743 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.443 3.203 -8.823 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.710 4.157 -7.377 1.00 0.00 H new ATOM 639 N ALA A 50 3.685 2.722 -10.105 1.00 0.00 N ATOM 640 CA ALA A 50 3.276 2.067 -11.344 1.00 0.00 C ATOM 641 C ALA A 50 2.306 0.921 -11.085 1.00 0.00 C ATOM 642 O ALA A 50 1.122 1.016 -11.411 1.00 0.00 O ATOM 643 CB ALA A 50 4.490 1.574 -12.110 1.00 0.00 C ATOM 0 H ALA A 50 4.392 2.218 -9.570 1.00 0.00 H new ATOM 0 HA ALA A 50 2.754 2.807 -11.950 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.167 1.088 -13.031 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.135 2.419 -12.352 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.041 0.860 -11.498 1.00 0.00 H new ATOM 649 N ASP A 51 2.798 -0.155 -10.480 1.00 0.00 N ATOM 650 CA ASP A 51 1.961 -1.318 -10.188 1.00 0.00 C ATOM 651 C ASP A 51 1.120 -1.078 -8.936 1.00 0.00 C ATOM 652 O ASP A 51 1.019 -1.946 -8.068 1.00 0.00 O ATOM 653 CB ASP A 51 2.823 -2.576 -10.005 1.00 0.00 C ATOM 654 CG ASP A 51 2.906 -3.427 -11.256 1.00 0.00 C ATOM 655 OD1 ASP A 51 3.603 -3.021 -12.208 1.00 0.00 O ATOM 656 OD2 ASP A 51 2.283 -4.511 -11.290 1.00 0.00 O ATOM 0 H ASP A 51 3.769 -0.248 -10.182 1.00 0.00 H new ATOM 0 HA ASP A 51 1.293 -1.471 -11.035 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.829 -2.280 -9.707 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.413 -3.175 -9.192 1.00 0.00 H new ATOM 661 N PHE A 52 0.526 0.102 -8.841 1.00 0.00 N ATOM 662 CA PHE A 52 -0.308 0.443 -7.702 1.00 0.00 C ATOM 663 C PHE A 52 -1.762 0.550 -8.152 1.00 0.00 C ATOM 664 O PHE A 52 -2.040 0.513 -9.354 1.00 0.00 O ATOM 665 CB PHE A 52 0.176 1.747 -7.046 1.00 0.00 C ATOM 666 CG PHE A 52 -0.447 3.006 -7.594 1.00 0.00 C ATOM 667 CD1 PHE A 52 -0.335 3.336 -8.936 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.140 3.864 -6.754 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.903 4.496 -9.429 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.706 5.026 -7.240 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.589 5.342 -8.579 1.00 0.00 C ATOM 0 H PHE A 52 0.607 0.840 -9.541 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.234 -0.343 -6.951 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.027 1.695 -5.976 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.258 1.815 -7.162 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.202 2.679 -9.604 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.238 3.621 -5.706 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.811 4.740 -10.477 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.240 5.687 -6.573 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.033 6.249 -8.961 1.00 0.00 H new ATOM 681 N SER A 53 -2.689 0.671 -7.214 1.00 0.00 N ATOM 682 CA SER A 53 -4.095 0.771 -7.565 1.00 0.00 C ATOM 683 C SER A 53 -4.863 1.621 -6.557 1.00 0.00 C ATOM 684 O SER A 53 -5.044 1.227 -5.405 1.00 0.00 O ATOM 685 CB SER A 53 -4.703 -0.630 -7.656 1.00 0.00 C ATOM 686 OG SER A 53 -4.036 -1.410 -8.639 1.00 0.00 O ATOM 0 H SER A 53 -2.495 0.702 -6.213 1.00 0.00 H new ATOM 0 HA SER A 53 -4.172 1.263 -8.535 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.635 -1.124 -6.687 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.762 -0.556 -7.902 1.00 0.00 H new ATOM 0 HG SER A 53 -4.440 -2.302 -8.679 1.00 0.00 H new ATOM 692 N SER A 54 -5.293 2.797 -6.996 1.00 0.00 N ATOM 693 CA SER A 54 -6.058 3.698 -6.150 1.00 0.00 C ATOM 694 C SER A 54 -7.521 3.275 -6.152 1.00 0.00 C ATOM 695 O SER A 54 -8.089 2.982 -7.207 1.00 0.00 O ATOM 696 CB SER A 54 -5.931 5.135 -6.662 1.00 0.00 C ATOM 697 OG SER A 54 -4.859 5.255 -7.583 1.00 0.00 O ATOM 0 H SER A 54 -5.123 3.149 -7.938 1.00 0.00 H new ATOM 0 HA SER A 54 -5.669 3.652 -5.133 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.862 5.437 -7.141 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.771 5.811 -5.822 1.00 0.00 H new ATOM 0 HG SER A 54 -4.008 5.139 -7.111 1.00 0.00 H new ATOM 703 N VAL A 55 -8.130 3.234 -4.983 1.00 0.00 N ATOM 704 CA VAL A 55 -9.522 2.839 -4.873 1.00 0.00 C ATOM 705 C VAL A 55 -10.328 3.907 -4.134 1.00 0.00 C ATOM 706 O VAL A 55 -9.863 4.483 -3.153 1.00 0.00 O ATOM 707 CB VAL A 55 -9.658 1.470 -4.163 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.066 1.514 -2.762 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.111 1.021 -4.122 1.00 0.00 C ATOM 0 H VAL A 55 -7.684 3.469 -4.096 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.923 2.738 -5.882 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.093 0.739 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.177 0.538 -2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.008 1.770 -2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.588 2.265 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.180 0.057 -3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.704 1.757 -3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.492 0.927 -5.139 1.00 0.00 H new ATOM 719 N THR A 56 -11.518 4.196 -4.633 1.00 0.00 N ATOM 720 CA THR A 56 -12.377 5.188 -4.010 1.00 0.00 C ATOM 721 C THR A 56 -13.493 4.493 -3.235 1.00 0.00 C ATOM 722 O THR A 56 -14.102 3.539 -3.729 1.00 0.00 O ATOM 723 CB THR A 56 -12.966 6.169 -5.060 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.835 7.124 -4.431 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.728 5.425 -6.153 1.00 0.00 C ATOM 0 H THR A 56 -11.911 3.758 -5.467 1.00 0.00 H new ATOM 0 HA THR A 56 -11.775 5.776 -3.317 1.00 0.00 H new ATOM 0 HB THR A 56 -12.128 6.694 -5.520 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.195 7.734 -5.108 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.127 6.142 -6.871 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.053 4.737 -6.663 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.549 4.864 -5.707 1.00 0.00 H new ATOM 733 N ALA A 57 -13.731 4.943 -2.010 1.00 0.00 N ATOM 734 CA ALA A 57 -14.771 4.356 -1.179 1.00 0.00 C ATOM 735 C ALA A 57 -16.144 4.687 -1.742 1.00 0.00 C ATOM 736 O ALA A 57 -16.482 5.858 -1.943 1.00 0.00 O ATOM 737 CB ALA A 57 -14.647 4.830 0.260 1.00 0.00 C ATOM 0 H ALA A 57 -13.220 5.709 -1.572 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.647 3.273 -1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.435 4.377 0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.675 4.538 0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.742 5.915 0.295 1.00 0.00 H new ATOM 743 N ASP A 58 -16.920 3.644 -2.001 1.00 0.00 N ATOM 744 CA ASP A 58 -18.261 3.782 -2.560 1.00 0.00 C ATOM 745 C ASP A 58 -19.232 4.394 -1.552 1.00 0.00 C ATOM 746 O ASP A 58 -18.848 4.740 -0.435 1.00 0.00 O ATOM 747 CB ASP A 58 -18.773 2.413 -3.012 1.00 0.00 C ATOM 748 CG ASP A 58 -19.284 1.563 -1.865 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.560 1.395 -0.863 1.00 0.00 O ATOM 750 OD2 ASP A 58 -20.417 1.054 -1.964 1.00 0.00 O ATOM 0 H ASP A 58 -16.640 2.678 -1.830 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.202 4.455 -3.415 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.574 2.552 -3.738 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.970 1.881 -3.521 1.00 0.00 H new ATOM 755 N ALA A 59 -20.497 4.507 -1.953 1.00 0.00 N ATOM 756 CA ALA A 59 -21.540 5.083 -1.106 1.00 0.00 C ATOM 757 C ALA A 59 -21.692 4.326 0.215 1.00 0.00 C ATOM 758 O ALA A 59 -22.115 4.897 1.223 1.00 0.00 O ATOM 759 CB ALA A 59 -22.862 5.109 -1.854 1.00 0.00 C ATOM 0 H ALA A 59 -20.827 4.204 -2.869 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.241 6.102 -0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.633 5.540 -1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.758 5.713 -2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.145 4.093 -2.129 1.00 0.00 H new ATOM 765 N ASN A 60 -21.339 3.046 0.212 1.00 0.00 N ATOM 766 CA ASN A 60 -21.435 2.228 1.419 1.00 0.00 C ATOM 767 C ASN A 60 -20.231 2.471 2.322 1.00 0.00 C ATOM 768 O ASN A 60 -20.167 1.974 3.446 1.00 0.00 O ATOM 769 CB ASN A 60 -21.520 0.741 1.070 1.00 0.00 C ATOM 770 CG ASN A 60 -22.802 0.375 0.349 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.816 0.064 0.972 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.765 0.399 -0.972 1.00 0.00 N ATOM 0 H ASN A 60 -20.985 2.552 -0.607 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.345 2.516 1.945 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.668 0.471 0.446 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.444 0.154 1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.596 0.154 -1.510 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.905 0.662 -1.453 1.00 0.00 H new ATOM 779 N GLY A 61 -19.273 3.239 1.817 1.00 0.00 N ATOM 780 CA GLY A 61 -18.079 3.538 2.582 1.00 0.00 C ATOM 781 C GLY A 61 -17.136 2.360 2.641 1.00 0.00 C ATOM 782 O GLY A 61 -16.552 2.071 3.683 1.00 0.00 O ATOM 0 H GLY A 61 -19.303 3.661 0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.567 4.391 2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.360 3.829 3.594 1.00 0.00 H new ATOM 786 N SER A 62 -16.991 1.676 1.519 1.00 0.00 N ATOM 787 CA SER A 62 -16.114 0.523 1.442 1.00 0.00 C ATOM 788 C SER A 62 -15.213 0.612 0.215 1.00 0.00 C ATOM 789 O SER A 62 -15.652 1.015 -0.863 1.00 0.00 O ATOM 790 CB SER A 62 -16.946 -0.762 1.406 1.00 0.00 C ATOM 791 OG SER A 62 -18.291 -0.494 1.029 1.00 0.00 O ATOM 0 H SER A 62 -17.471 1.901 0.648 1.00 0.00 H new ATOM 0 HA SER A 62 -15.478 0.507 2.327 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.502 -1.466 0.702 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.928 -1.237 2.387 1.00 0.00 H new ATOM 0 HG SER A 62 -18.303 -0.042 0.159 1.00 0.00 H new ATOM 797 N ALA A 63 -13.957 0.240 0.386 1.00 0.00 N ATOM 798 CA ALA A 63 -12.990 0.277 -0.700 1.00 0.00 C ATOM 799 C ALA A 63 -12.210 -1.029 -0.771 1.00 0.00 C ATOM 800 O ALA A 63 -11.502 -1.391 0.168 1.00 0.00 O ATOM 801 CB ALA A 63 -12.038 1.455 -0.522 1.00 0.00 C ATOM 0 H ALA A 63 -13.579 -0.094 1.273 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.531 0.404 -1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.320 1.470 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.606 2.385 -0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.506 1.353 0.424 1.00 0.00 H new ATOM 807 N SER A 64 -12.353 -1.738 -1.878 1.00 0.00 N ATOM 808 CA SER A 64 -11.661 -3.003 -2.071 1.00 0.00 C ATOM 809 C SER A 64 -10.770 -2.936 -3.308 1.00 0.00 C ATOM 810 O SER A 64 -11.189 -2.446 -4.360 1.00 0.00 O ATOM 811 CB SER A 64 -12.675 -4.139 -2.208 1.00 0.00 C ATOM 812 OG SER A 64 -13.788 -3.930 -1.351 1.00 0.00 O ATOM 0 H SER A 64 -12.945 -1.458 -2.660 1.00 0.00 H new ATOM 0 HA SER A 64 -11.032 -3.196 -1.202 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.014 -4.206 -3.242 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.198 -5.089 -1.966 1.00 0.00 H new ATOM 0 HG SER A 64 -14.425 -4.667 -1.456 1.00 0.00 H new ATOM 818 N THR A 65 -9.541 -3.417 -3.180 1.00 0.00 N ATOM 819 CA THR A 65 -8.595 -3.400 -4.282 1.00 0.00 C ATOM 820 C THR A 65 -7.593 -4.554 -4.173 1.00 0.00 C ATOM 821 O THR A 65 -7.518 -5.233 -3.148 1.00 0.00 O ATOM 822 CB THR A 65 -7.836 -2.055 -4.336 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.166 -1.911 -5.597 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.823 -1.944 -3.200 1.00 0.00 C ATOM 0 H THR A 65 -9.177 -3.825 -2.319 1.00 0.00 H new ATOM 0 HA THR A 65 -9.167 -3.522 -5.202 1.00 0.00 H new ATOM 0 HB THR A 65 -8.569 -1.256 -4.222 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.691 -1.054 -5.619 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.306 -0.987 -3.266 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.341 -2.012 -2.243 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.098 -2.754 -3.278 1.00 0.00 H new ATOM 832 N SER A 66 -6.839 -4.766 -5.241 1.00 0.00 N ATOM 833 CA SER A 66 -5.836 -5.816 -5.295 1.00 0.00 C ATOM 834 C SER A 66 -4.486 -5.231 -5.715 1.00 0.00 C ATOM 835 O SER A 66 -4.394 -4.535 -6.728 1.00 0.00 O ATOM 836 CB SER A 66 -6.284 -6.896 -6.276 1.00 0.00 C ATOM 837 OG SER A 66 -7.550 -7.422 -5.909 1.00 0.00 O ATOM 0 H SER A 66 -6.906 -4.213 -6.096 1.00 0.00 H new ATOM 0 HA SER A 66 -5.722 -6.262 -4.307 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.337 -6.480 -7.282 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.546 -7.698 -6.301 1.00 0.00 H new ATOM 0 HG SER A 66 -7.817 -8.111 -6.553 1.00 0.00 H new ATOM 843 N LEU A 67 -3.450 -5.507 -4.934 1.00 0.00 N ATOM 844 CA LEU A 67 -2.117 -4.985 -5.215 1.00 0.00 C ATOM 845 C LEU A 67 -1.121 -6.105 -5.513 1.00 0.00 C ATOM 846 O LEU A 67 -0.957 -7.027 -4.719 1.00 0.00 O ATOM 847 CB LEU A 67 -1.621 -4.165 -4.017 1.00 0.00 C ATOM 848 CG LEU A 67 -1.730 -2.642 -4.157 1.00 0.00 C ATOM 849 CD1 LEU A 67 -0.820 -2.140 -5.264 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.167 -2.221 -4.418 1.00 0.00 C ATOM 0 H LEU A 67 -3.506 -6.090 -4.099 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.187 -4.353 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.183 -4.471 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.577 -4.420 -3.834 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.410 -2.194 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.912 -1.057 -5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.213 -2.400 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.107 -2.602 -6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.217 -1.136 -4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.520 -2.683 -5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.797 -2.542 -3.588 1.00 0.00 H new ATOM 862 N THR A 68 -0.459 -6.015 -6.653 1.00 0.00 N ATOM 863 CA THR A 68 0.535 -7.005 -7.039 1.00 0.00 C ATOM 864 C THR A 68 1.912 -6.589 -6.525 1.00 0.00 C ATOM 865 O THR A 68 2.541 -5.688 -7.076 1.00 0.00 O ATOM 866 CB THR A 68 0.583 -7.186 -8.569 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.719 -6.957 -9.128 1.00 0.00 O ATOM 868 CG2 THR A 68 1.055 -8.586 -8.932 1.00 0.00 C ATOM 0 H THR A 68 -0.591 -5.264 -7.331 1.00 0.00 H new ATOM 0 HA THR A 68 0.250 -7.958 -6.593 1.00 0.00 H new ATOM 0 HB THR A 68 1.289 -6.463 -8.979 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.682 -7.072 -10.101 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.081 -8.691 -10.017 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.054 -8.750 -8.527 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.369 -9.322 -8.513 1.00 0.00 H new ATOM 876 N VAL A 69 2.365 -7.244 -5.460 1.00 0.00 N ATOM 877 CA VAL A 69 3.651 -6.925 -4.853 1.00 0.00 C ATOM 878 C VAL A 69 4.813 -7.609 -5.583 1.00 0.00 C ATOM 879 O VAL A 69 4.821 -8.826 -5.770 1.00 0.00 O ATOM 880 CB VAL A 69 3.667 -7.296 -3.345 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.306 -8.762 -3.132 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.017 -6.978 -2.719 1.00 0.00 C ATOM 0 H VAL A 69 1.859 -8.000 -5.000 1.00 0.00 H new ATOM 0 HA VAL A 69 3.787 -5.848 -4.946 1.00 0.00 H new ATOM 0 HB VAL A 69 2.910 -6.689 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.326 -8.991 -2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.307 -8.952 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.026 -9.393 -3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.001 -7.247 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.796 -7.546 -3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.222 -5.912 -2.818 1.00 0.00 H new ATOM 892 N ARG A 70 5.781 -6.809 -6.015 1.00 0.00 N ATOM 893 CA ARG A 70 6.955 -7.320 -6.710 1.00 0.00 C ATOM 894 C ARG A 70 8.124 -7.466 -5.739 1.00 0.00 C ATOM 895 O ARG A 70 8.085 -6.933 -4.627 1.00 0.00 O ATOM 896 CB ARG A 70 7.356 -6.374 -7.845 1.00 0.00 C ATOM 897 CG ARG A 70 6.199 -5.938 -8.731 1.00 0.00 C ATOM 898 CD ARG A 70 5.599 -7.115 -9.471 1.00 0.00 C ATOM 899 NE ARG A 70 4.427 -6.731 -10.252 1.00 0.00 N ATOM 900 CZ ARG A 70 3.791 -7.552 -11.080 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.236 -8.791 -11.261 1.00 0.00 N ATOM 902 NH2 ARG A 70 2.722 -7.129 -11.739 1.00 0.00 N ATOM 0 H ARG A 70 5.774 -5.796 -5.894 1.00 0.00 H new ATOM 0 HA ARG A 70 6.707 -8.297 -7.126 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.825 -5.488 -7.416 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.108 -6.865 -8.463 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.432 -5.459 -8.122 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.547 -5.194 -9.448 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.349 -7.548 -10.133 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.320 -7.889 -8.756 1.00 0.00 H new ATOM 0 HE ARG A 70 4.077 -5.778 -10.156 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.067 -9.112 -10.764 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.747 -9.421 -11.897 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.388 -6.174 -11.610 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.233 -7.759 -12.375 1.00 0.00 H new ATOM 916 N ARG A 71 9.159 -8.185 -6.158 1.00 0.00 N ATOM 917 CA ARG A 71 10.336 -8.373 -5.319 1.00 0.00 C ATOM 918 C ARG A 71 11.161 -7.088 -5.291 1.00 0.00 C ATOM 919 O ARG A 71 11.810 -6.767 -4.298 1.00 0.00 O ATOM 920 CB ARG A 71 11.176 -9.539 -5.840 1.00 0.00 C ATOM 921 CG ARG A 71 12.138 -10.113 -4.812 1.00 0.00 C ATOM 922 CD ARG A 71 11.454 -11.108 -3.887 1.00 0.00 C ATOM 923 NE ARG A 71 11.062 -12.326 -4.594 1.00 0.00 N ATOM 924 CZ ARG A 71 10.964 -13.527 -4.024 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.290 -13.696 -2.750 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.559 -14.568 -4.739 1.00 0.00 N ATOM 0 H ARG A 71 9.207 -8.644 -7.067 1.00 0.00 H new ATOM 0 HA ARG A 71 10.017 -8.608 -4.304 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.509 -10.331 -6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.744 -9.205 -6.708 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.966 -10.603 -5.324 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.564 -9.302 -4.221 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.126 -11.364 -3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.572 -10.645 -3.444 1.00 0.00 H new ATOM 0 HE ARG A 71 10.850 -12.252 -5.589 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.619 -12.904 -2.198 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.212 -14.618 -2.322 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.323 -14.449 -5.724 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.484 -15.487 -4.304 1.00 0.00 H new ATOM 940 N SER A 72 11.131 -6.364 -6.400 1.00 0.00 N ATOM 941 CA SER A 72 11.839 -5.097 -6.529 1.00 0.00 C ATOM 942 C SER A 72 10.887 -4.056 -7.111 1.00 0.00 C ATOM 943 O SER A 72 10.110 -4.369 -8.015 1.00 0.00 O ATOM 944 CB SER A 72 13.066 -5.266 -7.428 1.00 0.00 C ATOM 945 OG SER A 72 13.810 -6.421 -7.064 1.00 0.00 O ATOM 0 H SER A 72 10.615 -6.637 -7.236 1.00 0.00 H new ATOM 0 HA SER A 72 12.182 -4.765 -5.549 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.751 -5.345 -8.468 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.700 -4.382 -7.354 1.00 0.00 H new ATOM 0 HG SER A 72 14.267 -6.260 -6.212 1.00 0.00 H new ATOM 951 N PHE A 73 10.927 -2.831 -6.598 1.00 0.00 N ATOM 952 CA PHE A 73 10.024 -1.790 -7.079 1.00 0.00 C ATOM 953 C PHE A 73 10.594 -0.391 -6.868 1.00 0.00 C ATOM 954 O PHE A 73 11.682 -0.222 -6.321 1.00 0.00 O ATOM 955 CB PHE A 73 8.671 -1.913 -6.371 1.00 0.00 C ATOM 956 CG PHE A 73 8.751 -1.797 -4.871 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.230 -2.845 -4.100 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.344 -0.638 -4.232 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.298 -2.739 -2.725 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.411 -0.525 -2.859 1.00 0.00 C ATOM 961 CZ PHE A 73 8.890 -1.577 -2.103 1.00 0.00 C ATOM 0 H PHE A 73 11.565 -2.536 -5.859 1.00 0.00 H new ATOM 0 HA PHE A 73 9.898 -1.933 -8.152 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.003 -1.140 -6.750 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.224 -2.874 -6.627 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.554 -3.756 -4.581 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.969 0.189 -4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.670 -3.565 -2.137 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.089 0.385 -2.375 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.945 -1.490 -1.028 1.00 0.00 H new ATOM 971 N GLU A 74 9.852 0.605 -7.330 1.00 0.00 N ATOM 972 CA GLU A 74 10.247 1.998 -7.193 1.00 0.00 C ATOM 973 C GLU A 74 9.719 2.564 -5.878 1.00 0.00 C ATOM 974 O GLU A 74 8.674 2.136 -5.390 1.00 0.00 O ATOM 975 CB GLU A 74 9.702 2.825 -8.364 1.00 0.00 C ATOM 976 CG GLU A 74 9.732 2.107 -9.705 1.00 0.00 C ATOM 977 CD GLU A 74 8.450 1.353 -10.003 1.00 0.00 C ATOM 978 OE1 GLU A 74 8.279 0.223 -9.497 1.00 0.00 O ATOM 979 OE2 GLU A 74 7.612 1.882 -10.759 1.00 0.00 O ATOM 0 H GLU A 74 8.962 0.470 -7.809 1.00 0.00 H new ATOM 0 HA GLU A 74 11.336 2.051 -7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.675 3.114 -8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.281 3.745 -8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.911 2.835 -10.496 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.569 1.409 -9.718 1.00 0.00 H new ATOM 986 N GLY A 75 10.435 3.520 -5.305 1.00 0.00 N ATOM 987 CA GLY A 75 10.006 4.109 -4.054 1.00 0.00 C ATOM 988 C GLY A 75 9.591 5.556 -4.198 1.00 0.00 C ATOM 989 O GLY A 75 10.404 6.409 -4.564 1.00 0.00 O ATOM 0 H GLY A 75 11.304 3.898 -5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.170 3.534 -3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.816 4.039 -3.328 1.00 0.00 H new ATOM 993 N PHE A 76 8.332 5.835 -3.891 1.00 0.00 N ATOM 994 CA PHE A 76 7.806 7.184 -3.987 1.00 0.00 C ATOM 995 C PHE A 76 7.115 7.565 -2.690 1.00 0.00 C ATOM 996 O PHE A 76 6.410 6.749 -2.091 1.00 0.00 O ATOM 997 CB PHE A 76 6.826 7.299 -5.156 1.00 0.00 C ATOM 998 CG PHE A 76 7.469 7.686 -6.455 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.348 6.824 -7.091 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.194 8.909 -7.043 1.00 0.00 C ATOM 1001 CE1 PHE A 76 8.939 7.175 -8.290 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.781 9.266 -8.239 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.655 8.398 -8.864 1.00 0.00 C ATOM 0 H PHE A 76 7.656 5.141 -3.573 1.00 0.00 H new ATOM 0 HA PHE A 76 8.636 7.867 -4.164 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.316 6.344 -5.285 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.063 8.036 -4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.574 5.867 -6.645 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.511 9.592 -6.559 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.621 6.494 -8.777 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.557 10.223 -8.686 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.116 8.676 -9.801 1.00 0.00 H new ATOM 1013 N LEU A 77 7.324 8.800 -2.261 1.00 0.00 N ATOM 1014 CA LEU A 77 6.725 9.298 -1.033 1.00 0.00 C ATOM 1015 C LEU A 77 5.277 9.708 -1.282 1.00 0.00 C ATOM 1016 O LEU A 77 4.853 9.850 -2.430 1.00 0.00 O ATOM 1017 CB LEU A 77 7.526 10.479 -0.479 1.00 0.00 C ATOM 1018 CG LEU A 77 9.014 10.204 -0.221 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.667 11.399 0.455 1.00 0.00 C ATOM 1020 CD2 LEU A 77 9.199 8.952 0.630 1.00 0.00 C ATOM 0 H LEU A 77 7.908 9.479 -2.749 1.00 0.00 H new ATOM 0 HA LEU A 77 6.741 8.498 -0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.444 11.311 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.066 10.801 0.455 1.00 0.00 H new ATOM 0 HG LEU A 77 9.497 10.038 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.722 11.186 0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.575 12.275 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.173 11.593 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.262 8.780 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.697 9.086 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.770 8.094 0.113 1.00 0.00 H new ATOM 1032 N PHE A 78 4.536 9.915 -0.202 1.00 0.00 N ATOM 1033 CA PHE A 78 3.123 10.283 -0.278 1.00 0.00 C ATOM 1034 C PHE A 78 2.917 11.640 -0.959 1.00 0.00 C ATOM 1035 O PHE A 78 1.903 11.865 -1.621 1.00 0.00 O ATOM 1036 CB PHE A 78 2.527 10.304 1.132 1.00 0.00 C ATOM 1037 CG PHE A 78 1.024 10.309 1.157 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.306 9.200 0.742 1.00 0.00 C ATOM 1039 CD2 PHE A 78 0.328 11.421 1.598 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -1.075 9.201 0.767 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.053 11.428 1.628 1.00 0.00 C ATOM 1042 CZ PHE A 78 -1.756 10.316 1.212 1.00 0.00 C ATOM 0 H PHE A 78 4.893 9.834 0.750 1.00 0.00 H new ATOM 0 HA PHE A 78 2.613 9.537 -0.887 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.887 9.434 1.681 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.892 11.186 1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.832 8.323 0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.872 12.295 1.923 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.622 8.330 0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.582 12.303 1.977 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.836 10.318 1.235 1.00 0.00 H new ATOM 1052 N ASP A 79 3.886 12.534 -0.809 1.00 0.00 N ATOM 1053 CA ASP A 79 3.797 13.871 -1.404 1.00 0.00 C ATOM 1054 C ASP A 79 4.198 13.859 -2.877 1.00 0.00 C ATOM 1055 O ASP A 79 4.096 14.874 -3.564 1.00 0.00 O ATOM 1056 CB ASP A 79 4.668 14.870 -0.634 1.00 0.00 C ATOM 1057 CG ASP A 79 6.144 14.707 -0.928 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.641 13.565 -0.882 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.817 15.722 -1.197 1.00 0.00 O ATOM 0 H ASP A 79 4.743 12.363 -0.283 1.00 0.00 H new ATOM 0 HA ASP A 79 2.755 14.184 -1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.361 15.885 -0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.499 14.744 0.435 1.00 0.00 H new ATOM 1064 N GLY A 80 4.661 12.713 -3.356 1.00 0.00 N ATOM 1065 CA GLY A 80 5.055 12.598 -4.748 1.00 0.00 C ATOM 1066 C GLY A 80 6.560 12.576 -4.940 1.00 0.00 C ATOM 1067 O GLY A 80 7.047 12.226 -6.018 1.00 0.00 O ATOM 0 H GLY A 80 4.771 11.860 -2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.628 11.687 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.635 13.433 -5.309 1.00 0.00 H new ATOM 1071 N THR A 81 7.296 12.944 -3.902 1.00 0.00 N ATOM 1072 CA THR A 81 8.752 12.964 -3.966 1.00 0.00 C ATOM 1073 C THR A 81 9.312 11.550 -4.160 1.00 0.00 C ATOM 1074 O THR A 81 8.918 10.616 -3.463 1.00 0.00 O ATOM 1075 CB THR A 81 9.340 13.599 -2.687 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.913 14.970 -2.587 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.860 13.532 -2.680 1.00 0.00 C ATOM 0 H THR A 81 6.909 13.233 -3.004 1.00 0.00 H new ATOM 0 HA THR A 81 9.043 13.569 -4.825 1.00 0.00 H new ATOM 0 HB THR A 81 8.974 13.034 -1.830 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.391 15.091 -1.767 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.240 13.988 -1.766 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.179 12.491 -2.726 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.252 14.070 -3.543 1.00 0.00 H new ATOM 1085 N ARG A 82 10.209 11.391 -5.127 1.00 0.00 N ATOM 1086 CA ARG A 82 10.805 10.088 -5.399 1.00 0.00 C ATOM 1087 C ARG A 82 12.032 9.866 -4.522 1.00 0.00 C ATOM 1088 O ARG A 82 12.760 10.809 -4.206 1.00 0.00 O ATOM 1089 CB ARG A 82 11.182 9.957 -6.883 1.00 0.00 C ATOM 1090 CG ARG A 82 12.546 10.536 -7.246 1.00 0.00 C ATOM 1091 CD ARG A 82 12.507 12.051 -7.387 1.00 0.00 C ATOM 1092 NE ARG A 82 13.848 12.633 -7.409 1.00 0.00 N ATOM 1093 CZ ARG A 82 14.109 13.915 -7.674 1.00 0.00 C ATOM 1094 NH1 ARG A 82 13.117 14.754 -7.954 1.00 0.00 N ATOM 1095 NH2 ARG A 82 15.362 14.354 -7.655 1.00 0.00 N ATOM 0 H ARG A 82 10.538 12.143 -5.732 1.00 0.00 H new ATOM 0 HA ARG A 82 10.065 9.323 -5.164 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.165 8.902 -7.157 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.420 10.454 -7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.271 10.262 -6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.889 10.094 -8.181 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.981 12.316 -8.304 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.940 12.478 -6.560 1.00 0.00 H new ATOM 0 HE ARG A 82 14.637 12.018 -7.208 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.154 14.419 -7.967 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.319 15.733 -8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.124 13.712 -7.438 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.562 15.333 -7.857 1.00 0.00 H new ATOM 1109 N TRP A 83 12.244 8.625 -4.120 1.00 0.00 N ATOM 1110 CA TRP A 83 13.391 8.284 -3.296 1.00 0.00 C ATOM 1111 C TRP A 83 14.394 7.478 -4.112 1.00 0.00 C ATOM 1112 O TRP A 83 15.595 7.751 -4.093 1.00 0.00 O ATOM 1113 CB TRP A 83 12.955 7.491 -2.063 1.00 0.00 C ATOM 1114 CG TRP A 83 13.955 7.526 -0.949 1.00 0.00 C ATOM 1115 CD1 TRP A 83 15.050 6.725 -0.804 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.952 8.411 0.176 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.725 7.056 0.343 1.00 0.00 N ATOM 1118 CE2 TRP A 83 15.073 8.088 0.964 1.00 0.00 C ATOM 1119 CE3 TRP A 83 13.111 9.443 0.592 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 15.371 8.760 2.142 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.407 10.112 1.763 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.528 9.769 2.527 1.00 0.00 C ATOM 0 H TRP A 83 11.638 7.838 -4.350 1.00 0.00 H new ATOM 0 HA TRP A 83 13.864 9.207 -2.959 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.006 7.888 -1.702 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.779 6.455 -2.350 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.342 5.945 -1.491 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.576 6.606 0.680 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.244 9.714 0.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 16.236 8.497 2.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.763 10.913 2.095 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.733 10.311 3.439 1.00 0.00 H new ATOM 1133 N GLY A 84 13.893 6.485 -4.838 1.00 0.00 N ATOM 1134 CA GLY A 84 14.752 5.651 -5.649 1.00 0.00 C ATOM 1135 C GLY A 84 14.172 4.272 -5.866 1.00 0.00 C ATOM 1136 O GLY A 84 12.981 4.132 -6.144 1.00 0.00 O ATOM 0 H GLY A 84 12.903 6.244 -4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.915 6.131 -6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.727 5.562 -5.169 1.00 0.00 H new ATOM 1140 N THR A 85 15.005 3.254 -5.717 1.00 0.00 N ATOM 1141 CA THR A 85 14.575 1.879 -5.909 1.00 0.00 C ATOM 1142 C THR A 85 14.564 1.121 -4.585 1.00 0.00 C ATOM 1143 O THR A 85 15.555 1.113 -3.851 1.00 0.00 O ATOM 1144 CB THR A 85 15.503 1.150 -6.905 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.760 1.995 -8.036 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.879 -0.157 -7.374 1.00 0.00 C ATOM 0 H THR A 85 15.987 3.356 -5.462 1.00 0.00 H new ATOM 0 HA THR A 85 13.563 1.905 -6.313 1.00 0.00 H new ATOM 0 HB THR A 85 16.440 0.922 -6.397 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.350 1.530 -8.665 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.552 -0.651 -8.075 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.708 -0.807 -6.516 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.930 0.050 -7.868 1.00 0.00 H new ATOM 1154 N VAL A 86 13.437 0.498 -4.279 1.00 0.00 N ATOM 1155 CA VAL A 86 13.298 -0.276 -3.054 1.00 0.00 C ATOM 1156 C VAL A 86 13.299 -1.758 -3.403 1.00 0.00 C ATOM 1157 O VAL A 86 12.740 -2.160 -4.428 1.00 0.00 O ATOM 1158 CB VAL A 86 12.009 0.086 -2.286 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.140 -0.295 -0.822 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.700 1.565 -2.414 1.00 0.00 C ATOM 0 H VAL A 86 12.602 0.513 -4.864 1.00 0.00 H new ATOM 0 HA VAL A 86 14.139 -0.040 -2.402 1.00 0.00 H new ATOM 0 HB VAL A 86 11.185 -0.477 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.223 -0.033 -0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.312 -1.368 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.979 0.242 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.787 1.795 -1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.526 2.146 -2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.564 1.819 -3.465 1.00 0.00 H new ATOM 1170 N ASP A 87 13.918 -2.568 -2.566 1.00 0.00 N ATOM 1171 CA ASP A 87 14.012 -3.991 -2.843 1.00 0.00 C ATOM 1172 C ASP A 87 13.547 -4.840 -1.668 1.00 0.00 C ATOM 1173 O ASP A 87 13.813 -4.517 -0.509 1.00 0.00 O ATOM 1174 CB ASP A 87 15.456 -4.344 -3.200 1.00 0.00 C ATOM 1175 CG ASP A 87 15.597 -5.759 -3.712 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.381 -5.986 -4.920 1.00 0.00 O ATOM 1177 OD2 ASP A 87 15.926 -6.655 -2.909 1.00 0.00 O ATOM 0 H ASP A 87 14.360 -2.270 -1.696 1.00 0.00 H new ATOM 0 HA ASP A 87 13.351 -4.211 -3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.820 -3.649 -3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.086 -4.215 -2.320 1.00 0.00 H new ATOM 1182 N CYS A 88 12.850 -5.923 -1.987 1.00 0.00 N ATOM 1183 CA CYS A 88 12.346 -6.855 -0.989 1.00 0.00 C ATOM 1184 C CYS A 88 12.872 -8.260 -1.275 1.00 0.00 C ATOM 1185 O CYS A 88 12.260 -9.254 -0.888 1.00 0.00 O ATOM 1186 CB CYS A 88 10.812 -6.865 -0.980 1.00 0.00 C ATOM 1187 SG CYS A 88 10.057 -5.318 -0.382 1.00 0.00 S ATOM 0 H CYS A 88 12.618 -6.179 -2.947 1.00 0.00 H new ATOM 0 HA CYS A 88 12.696 -6.531 -0.009 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.455 -7.063 -1.991 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.469 -7.689 -0.354 1.00 0.00 H new ATOM 1192 N THR A 89 14.005 -8.342 -1.966 1.00 0.00 N ATOM 1193 CA THR A 89 14.607 -9.625 -2.286 1.00 0.00 C ATOM 1194 C THR A 89 15.386 -10.148 -1.081 1.00 0.00 C ATOM 1195 O THR A 89 15.366 -11.339 -0.776 1.00 0.00 O ATOM 1196 CB THR A 89 15.544 -9.519 -3.509 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.923 -8.737 -4.543 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.882 -10.893 -4.060 1.00 0.00 C ATOM 0 H THR A 89 14.522 -7.534 -2.313 1.00 0.00 H new ATOM 0 HA THR A 89 13.805 -10.320 -2.534 1.00 0.00 H new ATOM 0 HB THR A 89 16.464 -9.035 -3.182 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.526 -8.675 -5.313 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.543 -10.788 -4.920 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.380 -11.481 -3.290 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.966 -11.398 -4.366 1.00 0.00 H new ATOM 1206 N THR A 90 16.054 -9.244 -0.382 1.00 0.00 N ATOM 1207 CA THR A 90 16.824 -9.607 0.797 1.00 0.00 C ATOM 1208 C THR A 90 16.172 -9.030 2.059 1.00 0.00 C ATOM 1209 O THR A 90 16.800 -8.933 3.116 1.00 0.00 O ATOM 1210 CB THR A 90 18.290 -9.122 0.677 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.061 -9.601 1.785 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.363 -7.598 0.613 1.00 0.00 C ATOM 0 H THR A 90 16.078 -8.251 -0.612 1.00 0.00 H new ATOM 0 HA THR A 90 16.834 -10.694 0.872 1.00 0.00 H new ATOM 0 HB THR A 90 18.702 -9.523 -0.249 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.565 -9.452 2.617 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.404 -7.287 0.529 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.807 -7.243 -0.255 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.930 -7.175 1.519 1.00 0.00 H new ATOM 1220 N ALA A 91 14.899 -8.669 1.937 1.00 0.00 N ATOM 1221 CA ALA A 91 14.143 -8.093 3.039 1.00 0.00 C ATOM 1222 C ALA A 91 12.659 -8.388 2.865 1.00 0.00 C ATOM 1223 O ALA A 91 12.269 -9.086 1.931 1.00 0.00 O ATOM 1224 CB ALA A 91 14.383 -6.592 3.110 1.00 0.00 C ATOM 0 H ALA A 91 14.365 -8.768 1.073 1.00 0.00 H new ATOM 0 HA ALA A 91 14.480 -8.542 3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.813 -6.171 3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.445 -6.400 3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.064 -6.128 2.177 1.00 0.00 H new ATOM 1230 N ALA A 92 11.841 -7.856 3.755 1.00 0.00 N ATOM 1231 CA ALA A 92 10.404 -8.061 3.687 1.00 0.00 C ATOM 1232 C ALA A 92 9.711 -6.808 3.165 1.00 0.00 C ATOM 1233 O ALA A 92 10.145 -5.691 3.443 1.00 0.00 O ATOM 1234 CB ALA A 92 9.860 -8.439 5.056 1.00 0.00 C ATOM 0 H ALA A 92 12.148 -7.277 4.536 1.00 0.00 H new ATOM 0 HA ALA A 92 10.202 -8.879 2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.782 -8.590 4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.335 -9.360 5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.072 -7.639 5.765 1.00 0.00 H new ATOM 1240 N CYS A 93 8.636 -6.994 2.417 1.00 0.00 N ATOM 1241 CA CYS A 93 7.883 -5.877 1.858 1.00 0.00 C ATOM 1242 C CYS A 93 6.766 -5.460 2.812 1.00 0.00 C ATOM 1243 O CYS A 93 6.439 -6.187 3.752 1.00 0.00 O ATOM 1244 CB CYS A 93 7.299 -6.266 0.496 1.00 0.00 C ATOM 1245 SG CYS A 93 8.114 -5.488 -0.937 1.00 0.00 S ATOM 0 H CYS A 93 8.261 -7.913 2.180 1.00 0.00 H new ATOM 0 HA CYS A 93 8.558 -5.032 1.723 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.359 -7.349 0.387 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.241 -6.003 0.482 1.00 0.00 H new ATOM 1250 N GLN A 94 6.201 -4.285 2.594 1.00 0.00 N ATOM 1251 CA GLN A 94 5.122 -3.782 3.434 1.00 0.00 C ATOM 1252 C GLN A 94 3.953 -3.303 2.576 1.00 0.00 C ATOM 1253 O GLN A 94 4.146 -2.800 1.471 1.00 0.00 O ATOM 1254 CB GLN A 94 5.614 -2.630 4.321 1.00 0.00 C ATOM 1255 CG GLN A 94 6.305 -3.073 5.608 1.00 0.00 C ATOM 1256 CD GLN A 94 7.808 -3.236 5.459 1.00 0.00 C ATOM 1257 OE1 GLN A 94 8.567 -2.274 5.576 1.00 0.00 O ATOM 1258 NE2 GLN A 94 8.254 -4.457 5.229 1.00 0.00 N ATOM 0 H GLN A 94 6.472 -3.656 1.838 1.00 0.00 H new ATOM 0 HA GLN A 94 4.786 -4.600 4.071 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.306 -2.015 3.745 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.764 -1.998 4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.102 -2.342 6.391 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.875 -4.019 5.936 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.596 -5.231 5.138 1.00 0.00 H new ATOM 0 HE22 GLN A 94 9.256 -4.626 5.143 1.00 0.00 H new ATOM 1267 N VAL A 95 2.745 -3.473 3.083 1.00 0.00 N ATOM 1268 CA VAL A 95 1.546 -3.046 2.370 1.00 0.00 C ATOM 1269 C VAL A 95 1.148 -1.641 2.818 1.00 0.00 C ATOM 1270 O VAL A 95 0.827 -1.425 3.989 1.00 0.00 O ATOM 1271 CB VAL A 95 0.367 -4.021 2.603 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.855 -3.598 1.795 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.772 -5.447 2.253 1.00 0.00 C ATOM 0 H VAL A 95 2.564 -3.905 3.989 1.00 0.00 H new ATOM 0 HA VAL A 95 1.775 -3.043 1.304 1.00 0.00 H new ATOM 0 HB VAL A 95 0.104 -3.988 3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.671 -4.298 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.163 -2.597 2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.606 -3.596 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.071 -6.117 2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.067 -5.495 1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.610 -5.751 2.880 1.00 0.00 H new ATOM 1283 N GLY A 96 1.182 -0.690 1.889 1.00 0.00 N ATOM 1284 CA GLY A 96 0.840 0.680 2.212 1.00 0.00 C ATOM 1285 C GLY A 96 -0.553 1.054 1.765 1.00 0.00 C ATOM 1286 O GLY A 96 -0.936 0.802 0.623 1.00 0.00 O ATOM 0 H GLY A 96 1.442 -0.847 0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.923 0.827 3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.560 1.350 1.742 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.314 1.646 2.673 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.680 2.066 2.388 1.00 0.00 C ATOM 1292 C LEU A 97 -3.031 3.313 3.197 1.00 0.00 C ATOM 1293 O LEU A 97 -2.878 3.334 4.420 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.669 0.932 2.703 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.100 -0.229 3.531 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.124 0.098 5.013 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.873 -1.508 3.260 1.00 0.00 C ATOM 0 H LEU A 97 -1.005 1.849 3.624 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.753 2.305 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.520 1.354 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.049 0.533 1.763 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.063 -0.379 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.716 -0.740 5.577 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.523 0.988 5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.151 0.282 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.455 -2.319 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.920 -1.364 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.800 -1.760 2.202 1.00 0.00 H new ATOM 1309 N SER A 98 -3.467 4.361 2.511 1.00 0.00 N ATOM 1310 CA SER A 98 -3.841 5.608 3.173 1.00 0.00 C ATOM 1311 C SER A 98 -4.892 6.362 2.364 1.00 0.00 C ATOM 1312 O SER A 98 -5.115 6.061 1.195 1.00 0.00 O ATOM 1313 CB SER A 98 -2.608 6.492 3.377 1.00 0.00 C ATOM 1314 OG SER A 98 -1.652 5.854 4.211 1.00 0.00 O ATOM 0 H SER A 98 -3.571 4.375 1.496 1.00 0.00 H new ATOM 0 HA SER A 98 -4.267 5.359 4.145 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.157 6.721 2.411 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.907 7.441 3.822 1.00 0.00 H new ATOM 0 HG SER A 98 -2.002 4.988 4.507 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.548 7.324 3.002 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.572 8.129 2.343 1.00 0.00 C ATOM 1322 C ASP A 99 -5.941 9.339 1.649 1.00 0.00 C ATOM 1323 O ASP A 99 -4.744 9.344 1.363 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.627 8.580 3.364 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.176 9.759 4.205 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.099 9.678 4.825 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.893 10.779 4.227 1.00 0.00 O ATOM 0 H ASP A 99 -5.389 7.567 3.980 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.061 7.519 1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.543 8.847 2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.869 7.744 4.021 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.750 10.359 1.378 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.275 11.570 0.720 1.00 0.00 C ATOM 1334 C ALA A 100 -5.355 12.377 1.635 1.00 0.00 C ATOM 1335 O ALA A 100 -4.479 13.106 1.163 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.457 12.416 0.272 1.00 0.00 C ATOM 0 H ALA A 100 -7.744 10.369 1.606 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.695 11.276 -0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.093 13.319 -0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.069 11.845 -0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.057 12.691 1.139 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.553 12.244 2.939 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.737 12.959 3.908 1.00 0.00 C ATOM 1344 C ALA A 101 -3.502 12.150 4.277 1.00 0.00 C ATOM 1345 O ALA A 101 -2.385 12.666 4.278 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.553 13.281 5.148 1.00 0.00 C ATOM 0 H ALA A 101 -6.272 11.648 3.349 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.407 13.894 3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.930 13.816 5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.404 13.903 4.872 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.911 12.355 5.598 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.707 10.879 4.588 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.597 10.022 4.947 1.00 0.00 C ATOM 1354 C GLY A 102 -2.886 9.167 6.164 1.00 0.00 C ATOM 1355 O GLY A 102 -1.986 8.888 6.958 1.00 0.00 O ATOM 0 H GLY A 102 -4.621 10.426 4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.355 9.375 4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.717 10.636 5.140 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.139 8.762 6.322 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.545 7.931 7.449 1.00 0.00 C ATOM 1361 C ASN A 103 -5.265 6.686 6.944 1.00 0.00 C ATOM 1362 O ASN A 103 -5.325 6.438 5.739 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.476 8.706 8.394 1.00 0.00 C ATOM 1364 CG ASN A 103 -5.009 10.123 8.661 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.193 10.366 9.550 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -5.538 11.071 7.907 1.00 0.00 N ATOM 0 H ASN A 103 -4.896 8.997 5.680 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.648 7.642 7.997 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.477 8.735 7.964 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.551 8.170 9.340 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.273 12.045 8.052 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.211 10.828 7.180 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.812 5.909 7.867 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.532 4.709 7.501 1.00 0.00 C ATOM 1375 C GLY A 104 -6.092 3.519 8.326 1.00 0.00 C ATOM 1376 O GLY A 104 -5.716 3.684 9.490 1.00 0.00 O ATOM 0 H GLY A 104 -5.769 6.091 8.870 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.601 4.871 7.637 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.373 4.498 6.444 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.142 2.304 7.757 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.727 1.082 8.451 1.00 0.00 C ATOM 1382 C PRO A 105 -4.219 1.045 8.674 1.00 0.00 C ATOM 1383 O PRO A 105 -3.484 1.886 8.154 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.158 -0.048 7.504 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.073 0.592 6.512 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.622 2.020 6.401 1.00 0.00 C ATOM 0 HA PRO A 105 -6.174 1.004 9.442 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.296 -0.497 7.011 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.665 -0.845 8.048 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.017 0.088 5.547 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.110 0.534 6.842 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.834 2.141 5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.438 2.682 6.112 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.760 0.064 9.429 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.344 -0.062 9.726 1.00 0.00 C ATOM 1396 C GLU A 106 -1.629 -0.854 8.635 1.00 0.00 C ATOM 1397 O GLU A 106 -2.189 -1.796 8.074 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.154 -0.735 11.084 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.766 -0.551 11.666 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.675 -1.024 13.096 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.698 -2.251 13.323 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.584 -0.170 14.005 1.00 0.00 O ATOM 0 H GLU A 106 -4.347 -0.658 9.848 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.907 0.936 9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.888 -0.335 11.784 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.358 -1.801 10.983 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.045 -1.098 11.059 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.491 0.503 11.616 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.398 -0.452 8.331 1.00 0.00 N ATOM 1410 CA GLY A 107 0.385 -1.132 7.319 1.00 0.00 C ATOM 1411 C GLY A 107 0.814 -2.511 7.770 1.00 0.00 C ATOM 1412 O GLY A 107 1.277 -2.685 8.900 1.00 0.00 O ATOM 0 H GLY A 107 0.072 0.338 8.772 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.200 -1.215 6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.267 -0.537 7.082 1.00 0.00 H new ATOM 1416 N VAL A 108 0.662 -3.489 6.891 1.00 0.00 N ATOM 1417 CA VAL A 108 1.017 -4.866 7.205 1.00 0.00 C ATOM 1418 C VAL A 108 2.301 -5.282 6.497 1.00 0.00 C ATOM 1419 O VAL A 108 2.500 -4.975 5.322 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.114 -5.840 6.801 1.00 0.00 C ATOM 1421 CG1 VAL A 108 0.163 -7.243 7.320 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.461 -5.344 7.304 1.00 0.00 C ATOM 0 H VAL A 108 0.293 -3.355 5.950 1.00 0.00 H new ATOM 0 HA VAL A 108 1.169 -4.915 8.283 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.147 -5.879 5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.648 -7.908 7.022 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.102 -7.606 6.903 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.233 -7.221 8.408 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.241 -6.046 7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.437 -5.266 8.391 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.672 -4.365 6.874 1.00 0.00 H new ATOM 1432 N ALA A 109 3.174 -5.965 7.223 1.00 0.00 N ATOM 1433 CA ALA A 109 4.425 -6.444 6.658 1.00 0.00 C ATOM 1434 C ALA A 109 4.225 -7.817 6.024 1.00 0.00 C ATOM 1435 O ALA A 109 3.564 -8.681 6.598 1.00 0.00 O ATOM 1436 CB ALA A 109 5.509 -6.502 7.726 1.00 0.00 C ATOM 0 H ALA A 109 3.038 -6.200 8.206 1.00 0.00 H new ATOM 0 HA ALA A 109 4.746 -5.746 5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.437 -6.863 7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.667 -5.506 8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.200 -7.179 8.522 1.00 0.00 H new ATOM 1442 N ILE A 110 4.785 -8.013 4.842 1.00 0.00 N ATOM 1443 CA ILE A 110 4.654 -9.278 4.135 1.00 0.00 C ATOM 1444 C ILE A 110 6.021 -9.840 3.775 1.00 0.00 C ATOM 1445 O ILE A 110 6.833 -9.178 3.127 1.00 0.00 O ATOM 1446 CB ILE A 110 3.806 -9.131 2.853 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.170 -7.844 2.101 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.323 -9.145 3.201 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.553 -7.748 0.723 1.00 0.00 C ATOM 0 H ILE A 110 5.337 -7.310 4.350 1.00 0.00 H new ATOM 0 HA ILE A 110 4.145 -9.968 4.808 1.00 0.00 H new ATOM 0 HB ILE A 110 4.021 -9.976 2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.851 -6.986 2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.254 -7.782 2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.734 -9.041 2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.073 -10.087 3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.099 -8.317 3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.855 -6.812 0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.892 -8.586 0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.467 -7.777 0.808 1.00 0.00 H new ATOM 1461 N SER A 111 6.278 -11.054 4.219 1.00 0.00 N ATOM 1462 CA SER A 111 7.543 -11.710 3.945 1.00 0.00 C ATOM 1463 C SER A 111 7.341 -12.876 2.981 1.00 0.00 C ATOM 1464 O SER A 111 6.369 -13.631 3.096 1.00 0.00 O ATOM 1465 CB SER A 111 8.166 -12.189 5.255 1.00 0.00 C ATOM 1466 OG SER A 111 7.933 -11.245 6.292 1.00 0.00 O ATOM 0 H SER A 111 5.626 -11.609 4.773 1.00 0.00 H new ATOM 0 HA SER A 111 8.221 -10.999 3.473 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.744 -13.155 5.533 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.238 -12.335 5.123 1.00 0.00 H new ATOM 0 HG SER A 111 8.337 -11.567 7.125 1.00 0.00 H new ATOM 1472 N PHE A 112 8.253 -13.007 2.025 1.00 0.00 N ATOM 1473 CA PHE A 112 8.179 -14.067 1.031 1.00 0.00 C ATOM 1474 C PHE A 112 8.925 -15.309 1.508 1.00 0.00 C ATOM 1475 O PHE A 112 9.779 -15.233 2.398 1.00 0.00 O ATOM 1476 CB PHE A 112 8.765 -13.594 -0.304 1.00 0.00 C ATOM 1477 CG PHE A 112 8.191 -12.299 -0.808 1.00 0.00 C ATOM 1478 CD1 PHE A 112 6.846 -12.193 -1.123 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.005 -11.191 -0.979 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.323 -11.005 -1.596 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.488 -10.002 -1.449 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.146 -9.908 -1.759 1.00 0.00 C ATOM 0 H PHE A 112 9.056 -12.388 1.918 1.00 0.00 H new ATOM 0 HA PHE A 112 7.129 -14.321 0.889 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.844 -13.481 -0.194 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.600 -14.367 -1.054 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.199 -13.049 -0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.056 -11.259 -0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.273 -10.934 -1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.133 -9.145 -1.575 1.00 0.00 H new ATOM 0 HZ PHE A 112 6.740 -8.978 -2.129 1.00 0.00 H new ATOM 1492 N ASN A 113 8.606 -16.448 0.911 1.00 0.00 N ATOM 1493 CA ASN A 113 9.248 -17.707 1.274 1.00 0.00 C ATOM 1494 C ASN A 113 10.445 -17.960 0.369 1.00 0.00 C ATOM 1495 O ASN A 113 11.345 -18.738 0.756 1.00 0.00 O ATOM 1496 CB ASN A 113 8.259 -18.878 1.180 1.00 0.00 C ATOM 1497 CG ASN A 113 7.882 -19.231 -0.249 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.598 -19.961 -0.934 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.741 -18.738 -0.704 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.482 -17.376 -0.731 1.00 0.00 O ATOM 0 H ASN A 113 7.907 -16.528 0.173 1.00 0.00 H new ATOM 0 HA ASN A 113 9.588 -17.632 2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.696 -19.753 1.660 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.355 -18.627 1.736 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.431 -18.960 -1.650 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.172 -18.136 -0.109 1.00 0.00 H new