USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 567 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 GLU N :NH3+ -122:sc= -0.411 (180deg=-2.66!) USER MOD Single : A 2 ASN : amide:sc= -0.0702 X(o=-0.07,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -13:sc= 0.94 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0738 USER MOD Single : A 14 SER OG : rot -76:sc= 0.944 USER MOD Single : A 19 THR OG1 : rot 27:sc= -0.98! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.87! C(o=-1.9!,f=-3!) USER MOD Single : A 28 ASN :FLIP amide:sc= -1.02 F(o=-6!,f=-1) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00426 USER MOD Single : A 32 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.81) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0754 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.51 USER MOD Single : A 45 SER OG : rot -40:sc= 0.32 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -4.29 X(o=-4.3,f=-4.5!) USER MOD Single : A 61 TYR OH : rot 0:sc= -1.62 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00552 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 83:sc= -1.76! USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.021 USER MOD Single : A 73 ASN :FLIP amide:sc=-0.00742 F(o=-1.7!,f=-0.0074) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -42.064 -34.472 0.262 1.00 0.00 N ATOM 2 CA GLU A 1 -42.576 -35.537 -0.648 1.00 0.00 C ATOM 3 C GLU A 1 -41.473 -35.958 -1.619 1.00 0.00 C ATOM 4 O GLU A 1 -41.481 -35.594 -2.778 1.00 0.00 O ATOM 5 CB GLU A 1 -43.771 -35.002 -1.439 1.00 0.00 C ATOM 6 CG GLU A 1 -44.979 -34.859 -0.512 1.00 0.00 C ATOM 7 CD GLU A 1 -45.899 -36.068 -0.687 1.00 0.00 C ATOM 8 OE1 GLU A 1 -46.632 -36.094 -1.661 1.00 0.00 O ATOM 9 OE2 GLU A 1 -45.856 -36.949 0.157 1.00 0.00 O ATOM 0 H1 GLU A 1 -42.154 -34.786 1.249 1.00 0.00 H new ATOM 0 H2 GLU A 1 -41.064 -34.284 0.049 1.00 0.00 H new ATOM 0 H3 GLU A 1 -42.617 -33.602 0.123 1.00 0.00 H new ATOM 0 HA GLU A 1 -42.886 -36.398 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -43.524 -34.037 -1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -44.008 -35.678 -2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -44.649 -34.786 0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -45.520 -33.940 -0.740 1.00 0.00 H new ATOM 18 N ASN A 2 -40.522 -36.723 -1.158 1.00 0.00 N ATOM 19 CA ASN A 2 -39.421 -37.167 -2.058 1.00 0.00 C ATOM 20 C ASN A 2 -38.479 -35.991 -2.324 1.00 0.00 C ATOM 21 O ASN A 2 -38.554 -35.344 -3.349 1.00 0.00 O ATOM 22 CB ASN A 2 -40.014 -37.652 -3.383 1.00 0.00 C ATOM 23 CG ASN A 2 -39.027 -38.600 -4.074 1.00 0.00 C ATOM 24 OD1 ASN A 2 -38.540 -38.311 -5.148 1.00 0.00 O ATOM 25 ND2 ASN A 2 -38.710 -39.728 -3.497 1.00 0.00 N ATOM 0 H ASN A 2 -40.460 -37.060 -0.197 1.00 0.00 H new ATOM 0 HA ASN A 2 -38.868 -37.979 -1.586 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -40.960 -38.163 -3.204 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -40.229 -36.801 -4.029 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -38.054 -40.365 -3.949 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -39.119 -39.972 -2.595 1.00 0.00 H new ATOM 32 N LYS A 3 -37.590 -35.708 -1.412 1.00 0.00 N ATOM 33 CA LYS A 3 -36.649 -34.575 -1.623 1.00 0.00 C ATOM 34 C LYS A 3 -35.226 -35.014 -1.272 1.00 0.00 C ATOM 35 O LYS A 3 -35.013 -35.796 -0.367 1.00 0.00 O ATOM 36 CB LYS A 3 -37.056 -33.402 -0.730 1.00 0.00 C ATOM 37 CG LYS A 3 -38.579 -33.361 -0.606 1.00 0.00 C ATOM 38 CD LYS A 3 -38.991 -32.155 0.239 1.00 0.00 C ATOM 39 CE LYS A 3 -40.241 -31.518 -0.368 1.00 0.00 C ATOM 40 NZ LYS A 3 -40.544 -30.248 0.347 1.00 0.00 N ATOM 0 H LYS A 3 -37.476 -36.212 -0.532 1.00 0.00 H new ATOM 0 HA LYS A 3 -36.683 -34.267 -2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -36.603 -33.507 0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -36.689 -32.466 -1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -39.033 -33.297 -1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -38.942 -34.281 -0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -39.188 -32.465 1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -38.180 -31.428 0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -40.085 -31.323 -1.429 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -41.086 -32.202 -0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -41.394 -29.812 -0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -40.710 -30.448 1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -39.740 -29.595 0.251 1.00 0.00 H new ATOM 54 N GLU A 4 -34.250 -34.514 -1.981 1.00 0.00 N ATOM 55 CA GLU A 4 -32.840 -34.897 -1.688 1.00 0.00 C ATOM 56 C GLU A 4 -32.145 -33.743 -0.964 1.00 0.00 C ATOM 57 O GLU A 4 -30.964 -33.516 -1.128 1.00 0.00 O ATOM 58 CB GLU A 4 -32.107 -35.188 -3.000 1.00 0.00 C ATOM 59 CG GLU A 4 -32.000 -33.900 -3.822 1.00 0.00 C ATOM 60 CD GLU A 4 -30.534 -33.471 -3.913 1.00 0.00 C ATOM 61 OE1 GLU A 4 -29.816 -34.051 -4.711 1.00 0.00 O ATOM 62 OE2 GLU A 4 -30.154 -32.570 -3.182 1.00 0.00 O ATOM 0 H GLU A 4 -34.369 -33.856 -2.751 1.00 0.00 H new ATOM 0 HA GLU A 4 -32.826 -35.787 -1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -31.113 -35.584 -2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -32.642 -35.950 -3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -32.406 -34.059 -4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -32.593 -33.111 -3.359 1.00 0.00 H new ATOM 69 N GLU A 5 -32.870 -33.009 -0.165 1.00 0.00 N ATOM 70 CA GLU A 5 -32.250 -31.868 0.565 1.00 0.00 C ATOM 71 C GLU A 5 -31.501 -30.973 -0.426 1.00 0.00 C ATOM 72 O GLU A 5 -30.350 -31.203 -0.739 1.00 0.00 O ATOM 73 CB GLU A 5 -31.267 -32.400 1.610 1.00 0.00 C ATOM 74 CG GLU A 5 -31.120 -31.380 2.741 1.00 0.00 C ATOM 75 CD GLU A 5 -30.971 -32.113 4.076 1.00 0.00 C ATOM 76 OE1 GLU A 5 -30.315 -33.142 4.094 1.00 0.00 O ATOM 77 OE2 GLU A 5 -31.516 -31.632 5.056 1.00 0.00 O ATOM 0 H GLU A 5 -33.864 -33.150 0.014 1.00 0.00 H new ATOM 0 HA GLU A 5 -33.031 -31.291 1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -31.622 -33.351 2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -30.298 -32.590 1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -30.251 -30.747 2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -31.991 -30.725 2.769 1.00 0.00 H new ATOM 84 N THR A 6 -32.149 -29.954 -0.924 1.00 0.00 N ATOM 85 CA THR A 6 -31.475 -29.048 -1.896 1.00 0.00 C ATOM 86 C THR A 6 -31.011 -27.703 -1.271 1.00 0.00 C ATOM 87 O THR A 6 -30.439 -26.904 -1.984 1.00 0.00 O ATOM 88 CB THR A 6 -32.440 -28.744 -3.044 1.00 0.00 C ATOM 89 OG1 THR A 6 -31.795 -27.900 -3.989 1.00 0.00 O ATOM 90 CG2 THR A 6 -33.680 -28.041 -2.495 1.00 0.00 C ATOM 0 H THR A 6 -33.114 -29.711 -0.700 1.00 0.00 H new ATOM 0 HA THR A 6 -30.582 -29.567 -2.243 1.00 0.00 H new ATOM 0 HB THR A 6 -32.736 -29.674 -3.528 1.00 0.00 H new ATOM 0 HG1 THR A 6 -30.970 -27.543 -3.599 1.00 0.00 H new ATOM 0 HG21 THR A 6 -34.367 -27.824 -3.313 1.00 0.00 H new ATOM 0 HG22 THR A 6 -34.173 -28.687 -1.768 1.00 0.00 H new ATOM 0 HG23 THR A 6 -33.386 -27.109 -2.012 1.00 0.00 H new ATOM 98 N PRO A 7 -31.243 -27.447 0.011 1.00 0.00 N ATOM 99 CA PRO A 7 -30.806 -26.170 0.604 1.00 0.00 C ATOM 100 C PRO A 7 -29.284 -26.048 0.512 1.00 0.00 C ATOM 101 O PRO A 7 -28.729 -24.971 0.605 1.00 0.00 O ATOM 102 CB PRO A 7 -31.253 -26.231 2.070 1.00 0.00 C ATOM 103 CG PRO A 7 -31.958 -27.590 2.290 1.00 0.00 C ATOM 104 CD PRO A 7 -31.927 -28.351 0.958 1.00 0.00 C ATOM 0 HA PRO A 7 -31.231 -25.308 0.089 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -30.396 -26.133 2.736 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -31.930 -25.408 2.298 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -31.453 -28.161 3.069 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -32.986 -27.439 2.621 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -31.392 -29.296 1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -32.935 -28.589 0.617 1.00 0.00 H new ATOM 112 N GLU A 8 -28.604 -27.147 0.330 1.00 0.00 N ATOM 113 CA GLU A 8 -27.118 -27.102 0.233 1.00 0.00 C ATOM 114 C GLU A 8 -26.701 -26.236 -0.956 1.00 0.00 C ATOM 115 O GLU A 8 -27.182 -26.403 -2.058 1.00 0.00 O ATOM 116 CB GLU A 8 -26.572 -28.517 0.040 1.00 0.00 C ATOM 117 CG GLU A 8 -25.682 -28.885 1.225 1.00 0.00 C ATOM 118 CD GLU A 8 -26.541 -29.005 2.484 1.00 0.00 C ATOM 119 OE1 GLU A 8 -27.346 -29.919 2.543 1.00 0.00 O ATOM 120 OE2 GLU A 8 -26.381 -28.179 3.368 1.00 0.00 O ATOM 0 H GLU A 8 -29.015 -28.077 0.244 1.00 0.00 H new ATOM 0 HA GLU A 8 -26.715 -26.676 1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -27.394 -29.227 -0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -26.003 -28.575 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -25.168 -29.826 1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -24.913 -28.126 1.367 1.00 0.00 H new ATOM 127 N THR A 9 -25.802 -25.317 -0.737 1.00 0.00 N ATOM 128 CA THR A 9 -25.343 -24.439 -1.850 1.00 0.00 C ATOM 129 C THR A 9 -24.103 -23.658 -1.399 1.00 0.00 C ATOM 130 O THR A 9 -23.820 -23.577 -0.221 1.00 0.00 O ATOM 131 CB THR A 9 -26.461 -23.463 -2.220 1.00 0.00 C ATOM 132 OG1 THR A 9 -27.248 -23.193 -1.068 1.00 0.00 O ATOM 133 CG2 THR A 9 -27.344 -24.080 -3.308 1.00 0.00 C ATOM 0 H THR A 9 -25.364 -25.136 0.166 1.00 0.00 H new ATOM 0 HA THR A 9 -25.092 -25.046 -2.720 1.00 0.00 H new ATOM 0 HB THR A 9 -26.026 -22.536 -2.593 1.00 0.00 H new ATOM 0 HG1 THR A 9 -27.965 -22.567 -1.301 1.00 0.00 H new ATOM 0 HG21 THR A 9 -28.140 -23.383 -3.570 1.00 0.00 H new ATOM 0 HG22 THR A 9 -26.740 -24.290 -4.191 1.00 0.00 H new ATOM 0 HG23 THR A 9 -27.781 -25.008 -2.939 1.00 0.00 H new ATOM 141 N PRO A 10 -23.398 -23.107 -2.352 1.00 0.00 N ATOM 142 CA PRO A 10 -22.178 -22.329 -2.073 1.00 0.00 C ATOM 143 C PRO A 10 -22.519 -21.111 -1.210 1.00 0.00 C ATOM 144 O PRO A 10 -23.560 -21.053 -0.586 1.00 0.00 O ATOM 145 CB PRO A 10 -21.669 -21.891 -3.453 1.00 0.00 C ATOM 146 CG PRO A 10 -22.636 -22.467 -4.519 1.00 0.00 C ATOM 147 CD PRO A 10 -23.755 -23.215 -3.778 1.00 0.00 C ATOM 0 HA PRO A 10 -21.430 -22.904 -1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -21.632 -20.804 -3.519 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -20.655 -22.256 -3.620 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -23.051 -21.666 -5.131 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -22.106 -23.141 -5.192 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -24.729 -22.768 -3.977 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -23.812 -24.257 -4.094 1.00 0.00 H new ATOM 155 N GLU A 11 -21.651 -20.137 -1.167 1.00 0.00 N ATOM 156 CA GLU A 11 -21.931 -18.928 -0.344 1.00 0.00 C ATOM 157 C GLU A 11 -20.832 -17.888 -0.571 1.00 0.00 C ATOM 158 O GLU A 11 -21.080 -16.698 -0.563 1.00 0.00 O ATOM 159 CB GLU A 11 -21.973 -19.319 1.137 1.00 0.00 C ATOM 160 CG GLU A 11 -22.112 -18.063 2.001 1.00 0.00 C ATOM 161 CD GLU A 11 -21.547 -18.338 3.396 1.00 0.00 C ATOM 162 OE1 GLU A 11 -20.860 -19.334 3.549 1.00 0.00 O ATOM 163 OE2 GLU A 11 -21.811 -17.548 4.287 1.00 0.00 O ATOM 0 H GLU A 11 -20.761 -20.127 -1.666 1.00 0.00 H new ATOM 0 HA GLU A 11 -22.892 -18.504 -0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -22.810 -19.993 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.065 -19.858 1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -21.581 -17.231 1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -23.160 -17.772 2.072 1.00 0.00 H new ATOM 170 N THR A 12 -19.620 -18.326 -0.770 1.00 0.00 N ATOM 171 CA THR A 12 -18.507 -17.364 -0.993 1.00 0.00 C ATOM 172 C THR A 12 -18.539 -16.859 -2.437 1.00 0.00 C ATOM 173 O THR A 12 -19.373 -17.257 -3.223 1.00 0.00 O ATOM 174 CB THR A 12 -17.170 -18.058 -0.725 1.00 0.00 C ATOM 175 OG1 THR A 12 -17.272 -19.431 -1.073 1.00 0.00 O ATOM 176 CG2 THR A 12 -16.816 -17.929 0.756 1.00 0.00 C ATOM 0 H THR A 12 -19.353 -19.310 -0.788 1.00 0.00 H new ATOM 0 HA THR A 12 -18.622 -16.519 -0.314 1.00 0.00 H new ATOM 0 HB THR A 12 -16.390 -17.589 -1.325 1.00 0.00 H new ATOM 0 HG1 THR A 12 -16.416 -19.876 -0.903 1.00 0.00 H new ATOM 0 HG21 THR A 12 -15.864 -18.423 0.947 1.00 0.00 H new ATOM 0 HG22 THR A 12 -16.737 -16.875 1.021 1.00 0.00 H new ATOM 0 HG23 THR A 12 -17.595 -18.397 1.358 1.00 0.00 H new ATOM 184 N ASP A 13 -17.630 -15.985 -2.785 1.00 0.00 N ATOM 185 CA ASP A 13 -17.586 -15.437 -4.174 1.00 0.00 C ATOM 186 C ASP A 13 -18.584 -14.275 -4.302 1.00 0.00 C ATOM 187 O ASP A 13 -18.280 -13.246 -4.872 1.00 0.00 O ATOM 188 CB ASP A 13 -17.898 -16.562 -5.188 1.00 0.00 C ATOM 189 CG ASP A 13 -19.276 -16.365 -5.844 1.00 0.00 C ATOM 190 OD1 ASP A 13 -19.338 -15.682 -6.853 1.00 0.00 O ATOM 191 OD2 ASP A 13 -20.241 -16.901 -5.328 1.00 0.00 O ATOM 0 H ASP A 13 -16.909 -15.624 -2.160 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.589 -15.054 -4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.127 -16.583 -5.958 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.869 -17.527 -4.682 1.00 0.00 H new ATOM 196 N SER A 14 -19.769 -14.434 -3.778 1.00 0.00 N ATOM 197 CA SER A 14 -20.778 -13.341 -3.871 1.00 0.00 C ATOM 198 C SER A 14 -21.301 -13.014 -2.469 1.00 0.00 C ATOM 199 O SER A 14 -22.479 -12.796 -2.269 1.00 0.00 O ATOM 200 CB SER A 14 -21.937 -13.792 -4.761 1.00 0.00 C ATOM 201 OG SER A 14 -22.276 -15.136 -4.447 1.00 0.00 O ATOM 0 H SER A 14 -20.082 -15.273 -3.290 1.00 0.00 H new ATOM 0 HA SER A 14 -20.317 -12.452 -4.303 1.00 0.00 H new ATOM 0 HB2 SER A 14 -22.800 -13.143 -4.611 1.00 0.00 H new ATOM 0 HB3 SER A 14 -21.657 -13.712 -5.811 1.00 0.00 H new ATOM 0 HG SER A 14 -21.605 -15.740 -4.828 1.00 0.00 H new ATOM 207 N GLU A 15 -20.430 -12.979 -1.497 1.00 0.00 N ATOM 208 CA GLU A 15 -20.874 -12.666 -0.110 1.00 0.00 C ATOM 209 C GLU A 15 -20.577 -11.196 0.199 1.00 0.00 C ATOM 210 O GLU A 15 -19.709 -10.884 0.992 1.00 0.00 O ATOM 211 CB GLU A 15 -20.115 -13.555 0.878 1.00 0.00 C ATOM 212 CG GLU A 15 -21.097 -14.183 1.870 1.00 0.00 C ATOM 213 CD GLU A 15 -20.955 -13.501 3.234 1.00 0.00 C ATOM 214 OE1 GLU A 15 -21.264 -12.324 3.323 1.00 0.00 O ATOM 215 OE2 GLU A 15 -20.538 -14.168 4.168 1.00 0.00 O ATOM 0 H GLU A 15 -19.431 -13.154 -1.604 1.00 0.00 H new ATOM 0 HA GLU A 15 -21.945 -12.849 -0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -19.578 -14.336 0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -19.370 -12.966 1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -22.118 -14.077 1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -20.902 -15.251 1.964 1.00 0.00 H new ATOM 222 N GLU A 16 -21.284 -10.289 -0.419 1.00 0.00 N ATOM 223 CA GLU A 16 -21.028 -8.844 -0.152 1.00 0.00 C ATOM 224 C GLU A 16 -22.068 -7.985 -0.880 1.00 0.00 C ATOM 225 O GLU A 16 -22.668 -8.403 -1.850 1.00 0.00 O ATOM 226 CB GLU A 16 -19.620 -8.477 -0.641 1.00 0.00 C ATOM 227 CG GLU A 16 -19.624 -8.317 -2.164 1.00 0.00 C ATOM 228 CD GLU A 16 -20.186 -9.587 -2.806 1.00 0.00 C ATOM 229 OE1 GLU A 16 -19.647 -10.649 -2.542 1.00 0.00 O ATOM 230 OE2 GLU A 16 -21.147 -9.476 -3.550 1.00 0.00 O ATOM 0 H GLU A 16 -22.024 -10.484 -1.094 1.00 0.00 H new ATOM 0 HA GLU A 16 -21.102 -8.658 0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.292 -7.551 -0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.911 -9.252 -0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -20.227 -7.455 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.612 -8.131 -2.524 1.00 0.00 H new ATOM 237 N GLU A 17 -22.278 -6.781 -0.419 1.00 0.00 N ATOM 238 CA GLU A 17 -23.268 -5.887 -1.077 1.00 0.00 C ATOM 239 C GLU A 17 -22.575 -5.109 -2.201 1.00 0.00 C ATOM 240 O GLU A 17 -22.719 -5.424 -3.365 1.00 0.00 O ATOM 241 CB GLU A 17 -23.827 -4.915 -0.043 1.00 0.00 C ATOM 242 CG GLU A 17 -25.035 -5.546 0.657 1.00 0.00 C ATOM 243 CD GLU A 17 -25.654 -4.536 1.625 1.00 0.00 C ATOM 244 OE1 GLU A 17 -24.909 -3.747 2.183 1.00 0.00 O ATOM 245 OE2 GLU A 17 -26.862 -4.569 1.792 1.00 0.00 O ATOM 0 H GLU A 17 -21.803 -6.379 0.389 1.00 0.00 H new ATOM 0 HA GLU A 17 -24.083 -6.477 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -23.059 -4.666 0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -24.120 -3.983 -0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -25.774 -5.857 -0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -24.728 -6.441 1.197 1.00 0.00 H new ATOM 252 N VAL A 18 -21.815 -4.100 -1.864 1.00 0.00 N ATOM 253 CA VAL A 18 -21.110 -3.318 -2.923 1.00 0.00 C ATOM 254 C VAL A 18 -19.683 -3.849 -3.073 1.00 0.00 C ATOM 255 O VAL A 18 -19.358 -4.912 -2.587 1.00 0.00 O ATOM 256 CB VAL A 18 -21.071 -1.837 -2.538 1.00 0.00 C ATOM 257 CG1 VAL A 18 -21.060 -0.987 -3.810 1.00 0.00 C ATOM 258 CG2 VAL A 18 -22.308 -1.490 -1.708 1.00 0.00 C ATOM 0 H VAL A 18 -21.652 -3.785 -0.908 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.643 -3.424 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 18 -20.174 -1.636 -1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.032 0.069 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -20.180 -1.234 -4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -21.959 -1.190 -4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -22.279 -0.435 -1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -23.206 -1.688 -2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.322 -2.099 -0.804 1.00 0.00 H new ATOM 268 N THR A 19 -18.830 -3.125 -3.747 1.00 0.00 N ATOM 269 CA THR A 19 -17.428 -3.601 -3.926 1.00 0.00 C ATOM 270 C THR A 19 -16.525 -2.420 -4.294 1.00 0.00 C ATOM 271 O THR A 19 -16.800 -1.680 -5.216 1.00 0.00 O ATOM 272 CB THR A 19 -17.391 -4.648 -5.046 1.00 0.00 C ATOM 273 OG1 THR A 19 -17.856 -5.893 -4.541 1.00 0.00 O ATOM 274 CG2 THR A 19 -15.960 -4.805 -5.571 1.00 0.00 C ATOM 0 H THR A 19 -19.043 -2.227 -4.180 1.00 0.00 H new ATOM 0 HA THR A 19 -17.072 -4.046 -2.997 1.00 0.00 H new ATOM 0 HB THR A 19 -18.033 -4.322 -5.865 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.464 -5.734 -3.789 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.944 -5.551 -6.366 1.00 0.00 H new ATOM 0 HG22 THR A 19 -15.609 -3.850 -5.962 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.308 -5.126 -4.759 1.00 0.00 H new ATOM 282 N ILE A 20 -15.439 -2.249 -3.591 1.00 0.00 N ATOM 283 CA ILE A 20 -14.514 -1.127 -3.904 1.00 0.00 C ATOM 284 C ILE A 20 -13.215 -1.719 -4.456 1.00 0.00 C ATOM 285 O ILE A 20 -13.058 -2.922 -4.517 1.00 0.00 O ATOM 286 CB ILE A 20 -14.240 -0.341 -2.616 1.00 0.00 C ATOM 287 CG1 ILE A 20 -13.723 1.059 -2.942 1.00 0.00 C ATOM 288 CG2 ILE A 20 -13.194 -1.070 -1.789 1.00 0.00 C ATOM 289 CD1 ILE A 20 -14.626 2.096 -2.272 1.00 0.00 C ATOM 0 H ILE A 20 -15.153 -2.841 -2.811 1.00 0.00 H new ATOM 0 HA ILE A 20 -14.948 -0.454 -4.643 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.172 -0.258 -2.057 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.697 1.172 -2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.710 1.213 -4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -13.000 -0.511 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -13.559 -2.065 -1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -12.272 -1.157 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.262 3.098 -2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.645 1.986 -2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.616 1.944 -1.193 1.00 0.00 H new ATOM 301 N LYS A 21 -12.279 -0.904 -4.854 1.00 0.00 N ATOM 302 CA LYS A 21 -11.012 -1.476 -5.387 1.00 0.00 C ATOM 303 C LYS A 21 -9.887 -0.441 -5.358 1.00 0.00 C ATOM 304 O LYS A 21 -9.984 0.613 -5.949 1.00 0.00 O ATOM 305 CB LYS A 21 -11.231 -1.946 -6.823 1.00 0.00 C ATOM 306 CG LYS A 21 -10.870 -3.428 -6.921 1.00 0.00 C ATOM 307 CD LYS A 21 -11.528 -4.032 -8.162 1.00 0.00 C ATOM 308 CE LYS A 21 -12.449 -5.180 -7.741 1.00 0.00 C ATOM 309 NZ LYS A 21 -11.877 -6.474 -8.209 1.00 0.00 N ATOM 0 H LYS A 21 -12.333 0.114 -4.835 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.723 -2.318 -4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.269 -1.791 -7.116 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.616 -1.362 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.788 -3.547 -6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.204 -3.954 -6.027 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.098 -3.269 -8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.766 -4.396 -8.851 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.562 -5.191 -6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.443 -5.036 -8.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.503 -7.254 -7.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.791 -6.461 -9.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.937 -6.611 -7.786 1.00 0.00 H new ATOM 323 N ALA A 22 -8.809 -0.755 -4.693 1.00 0.00 N ATOM 324 CA ALA A 22 -7.653 0.185 -4.639 1.00 0.00 C ATOM 325 C ALA A 22 -6.423 -0.535 -5.191 1.00 0.00 C ATOM 326 O ALA A 22 -5.896 -1.441 -4.578 1.00 0.00 O ATOM 327 CB ALA A 22 -7.399 0.606 -3.192 1.00 0.00 C ATOM 0 H ALA A 22 -8.678 -1.628 -4.182 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.864 1.075 -5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.553 1.293 -3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.286 1.101 -2.796 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.176 -0.275 -2.590 1.00 0.00 H new ATOM 333 N ASN A 23 -5.976 -0.164 -6.358 1.00 0.00 N ATOM 334 CA ASN A 23 -4.800 -0.855 -6.955 1.00 0.00 C ATOM 335 C ASN A 23 -3.490 -0.323 -6.379 1.00 0.00 C ATOM 336 O ASN A 23 -3.472 0.629 -5.628 1.00 0.00 O ATOM 337 CB ASN A 23 -4.818 -0.658 -8.463 1.00 0.00 C ATOM 338 CG ASN A 23 -5.337 -1.922 -9.138 1.00 0.00 C ATOM 339 OD1 ASN A 23 -4.570 -2.760 -9.569 1.00 0.00 O ATOM 340 ND2 ASN A 23 -6.624 -2.093 -9.251 1.00 0.00 N ATOM 0 H ASN A 23 -6.373 0.586 -6.923 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.864 -1.916 -6.715 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.451 0.191 -8.721 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.815 -0.428 -8.822 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.989 -2.932 -9.702 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.266 -1.388 -8.888 1.00 0.00 H new ATOM 347 N LEU A 24 -2.390 -0.952 -6.715 1.00 0.00 N ATOM 348 CA LEU A 24 -1.072 -0.503 -6.180 1.00 0.00 C ATOM 349 C LEU A 24 0.020 -0.675 -7.247 1.00 0.00 C ATOM 350 O LEU A 24 0.730 -1.663 -7.267 1.00 0.00 O ATOM 351 CB LEU A 24 -0.710 -1.347 -4.961 1.00 0.00 C ATOM 352 CG LEU A 24 -1.741 -1.116 -3.859 1.00 0.00 C ATOM 353 CD1 LEU A 24 -1.999 -2.429 -3.140 1.00 0.00 C ATOM 354 CD2 LEU A 24 -1.213 -0.080 -2.864 1.00 0.00 C ATOM 0 H LEU A 24 -2.351 -1.758 -7.338 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.142 0.549 -5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.681 -2.403 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.285 -1.082 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.668 -0.747 -4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.735 -2.273 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.378 -3.164 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.069 -2.793 -2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.953 0.081 -2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.286 -0.442 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.024 0.860 -3.383 1.00 0.00 H new ATOM 366 N ILE A 25 0.169 0.277 -8.131 1.00 0.00 N ATOM 367 CA ILE A 25 1.222 0.165 -9.187 1.00 0.00 C ATOM 368 C ILE A 25 2.578 0.569 -8.596 1.00 0.00 C ATOM 369 O ILE A 25 2.666 1.484 -7.808 1.00 0.00 O ATOM 370 CB ILE A 25 0.872 1.100 -10.349 1.00 0.00 C ATOM 371 CG1 ILE A 25 -0.292 0.505 -11.145 1.00 0.00 C ATOM 372 CG2 ILE A 25 2.087 1.265 -11.266 1.00 0.00 C ATOM 373 CD1 ILE A 25 -1.531 0.420 -10.253 1.00 0.00 C ATOM 0 H ILE A 25 -0.392 1.128 -8.168 1.00 0.00 H new ATOM 0 HA ILE A 25 1.274 -0.862 -9.548 1.00 0.00 H new ATOM 0 HB ILE A 25 0.586 2.075 -9.955 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.502 1.122 -12.019 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.026 -0.487 -11.512 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.833 1.931 -12.091 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.916 1.689 -10.699 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.379 0.292 -11.662 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.360 -0.004 -10.821 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.318 -0.215 -9.393 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.800 1.418 -9.908 1.00 0.00 H new ATOM 385 N PHE A 26 3.641 -0.104 -8.961 1.00 0.00 N ATOM 386 CA PHE A 26 4.968 0.265 -8.395 1.00 0.00 C ATOM 387 C PHE A 26 5.983 0.533 -9.503 1.00 0.00 C ATOM 388 O PHE A 26 5.780 0.211 -10.657 1.00 0.00 O ATOM 389 CB PHE A 26 5.483 -0.861 -7.526 1.00 0.00 C ATOM 390 CG PHE A 26 4.622 -0.986 -6.293 1.00 0.00 C ATOM 391 CD1 PHE A 26 3.411 -1.686 -6.348 1.00 0.00 C ATOM 392 CD2 PHE A 26 5.034 -0.393 -5.092 1.00 0.00 C ATOM 393 CE1 PHE A 26 2.613 -1.796 -5.202 1.00 0.00 C ATOM 394 CE2 PHE A 26 4.236 -0.501 -3.948 1.00 0.00 C ATOM 395 CZ PHE A 26 3.025 -1.203 -4.002 1.00 0.00 C ATOM 0 H PHE A 26 3.645 -0.884 -9.619 1.00 0.00 H new ATOM 0 HA PHE A 26 4.841 1.172 -7.804 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.474 -1.797 -8.084 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.518 -0.670 -7.241 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.092 -2.141 -7.274 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.968 0.148 -5.050 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.680 -2.338 -5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.554 -0.043 -3.023 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.409 -1.287 -3.119 1.00 0.00 H new ATOM 405 N ALA A 27 7.078 1.128 -9.133 1.00 0.00 N ATOM 406 CA ALA A 27 8.153 1.449 -10.118 1.00 0.00 C ATOM 407 C ALA A 27 9.045 0.228 -10.357 1.00 0.00 C ATOM 408 O ALA A 27 9.883 0.232 -11.238 1.00 0.00 O ATOM 409 CB ALA A 27 9.012 2.594 -9.576 1.00 0.00 C ATOM 0 H ALA A 27 7.281 1.412 -8.174 1.00 0.00 H new ATOM 0 HA ALA A 27 7.688 1.739 -11.060 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.798 2.830 -10.293 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.388 3.474 -9.418 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.463 2.294 -8.630 1.00 0.00 H new ATOM 415 N ASN A 28 8.896 -0.806 -9.579 1.00 0.00 N ATOM 416 CA ASN A 28 9.766 -2.000 -9.776 1.00 0.00 C ATOM 417 C ASN A 28 9.014 -3.073 -10.561 1.00 0.00 C ATOM 418 O ASN A 28 8.998 -4.229 -10.190 1.00 0.00 O ATOM 419 CB ASN A 28 10.198 -2.570 -8.420 1.00 0.00 C ATOM 420 CG ASN A 28 9.183 -2.204 -7.336 1.00 0.00 C ATOM 421 OD1 ASN A 28 7.926 -2.505 -7.509 1.00 0.00 O flip ATOM 422 ND2 ASN A 28 9.539 -1.641 -6.321 1.00 0.00 N flip ATOM 0 H ASN A 28 8.217 -0.878 -8.822 1.00 0.00 H new ATOM 0 HA ASN A 28 10.650 -1.696 -10.336 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.291 -3.654 -8.488 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.181 -2.182 -8.152 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.522 -1.406 -6.186 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.855 -1.403 -5.603 1.00 0.00 H new ATOM 429 N GLY A 29 8.397 -2.701 -11.650 1.00 0.00 N ATOM 430 CA GLY A 29 7.652 -3.702 -12.464 1.00 0.00 C ATOM 431 C GLY A 29 6.853 -4.621 -11.539 1.00 0.00 C ATOM 432 O GLY A 29 6.564 -5.753 -11.870 1.00 0.00 O ATOM 0 H GLY A 29 8.377 -1.747 -12.011 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.981 -3.195 -13.158 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.348 -4.289 -13.064 1.00 0.00 H new ATOM 436 N SER A 30 6.491 -4.140 -10.382 1.00 0.00 N ATOM 437 CA SER A 30 5.710 -4.982 -9.435 1.00 0.00 C ATOM 438 C SER A 30 4.332 -4.359 -9.233 1.00 0.00 C ATOM 439 O SER A 30 4.039 -3.790 -8.200 1.00 0.00 O ATOM 440 CB SER A 30 6.438 -5.051 -8.098 1.00 0.00 C ATOM 441 OG SER A 30 6.322 -6.363 -7.565 1.00 0.00 O ATOM 0 H SER A 30 6.703 -3.199 -10.052 1.00 0.00 H new ATOM 0 HA SER A 30 5.602 -5.988 -9.840 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.488 -4.792 -8.230 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.015 -4.325 -7.403 1.00 0.00 H new ATOM 0 HG SER A 30 6.791 -6.410 -6.706 1.00 0.00 H new ATOM 447 N THR A 31 3.484 -4.462 -10.212 1.00 0.00 N ATOM 448 CA THR A 31 2.122 -3.877 -10.083 1.00 0.00 C ATOM 449 C THR A 31 1.247 -4.819 -9.257 1.00 0.00 C ATOM 450 O THR A 31 1.409 -6.023 -9.294 1.00 0.00 O ATOM 451 CB THR A 31 1.507 -3.698 -11.474 1.00 0.00 C ATOM 452 OG1 THR A 31 1.571 -4.930 -12.182 1.00 0.00 O ATOM 453 CG2 THR A 31 2.279 -2.625 -12.244 1.00 0.00 C ATOM 0 H THR A 31 3.674 -4.927 -11.100 1.00 0.00 H new ATOM 0 HA THR A 31 2.186 -2.907 -9.589 1.00 0.00 H new ATOM 0 HB THR A 31 0.466 -3.390 -11.373 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.176 -4.817 -13.072 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.839 -2.500 -13.233 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.228 -1.681 -11.702 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.321 -2.929 -12.346 1.00 0.00 H new ATOM 461 N GLN A 32 0.321 -4.284 -8.510 1.00 0.00 N ATOM 462 CA GLN A 32 -0.559 -5.152 -7.685 1.00 0.00 C ATOM 463 C GLN A 32 -1.956 -4.535 -7.617 1.00 0.00 C ATOM 464 O GLN A 32 -2.250 -3.569 -8.292 1.00 0.00 O ATOM 465 CB GLN A 32 0.018 -5.268 -6.273 1.00 0.00 C ATOM 466 CG GLN A 32 1.185 -6.259 -6.274 1.00 0.00 C ATOM 467 CD GLN A 32 0.649 -7.681 -6.095 1.00 0.00 C ATOM 468 OE1 GLN A 32 -0.209 -7.920 -5.269 1.00 0.00 O ATOM 469 NE2 GLN A 32 1.122 -8.642 -6.841 1.00 0.00 N ATOM 0 H GLN A 32 0.137 -3.283 -8.437 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.619 -6.144 -8.133 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.357 -4.292 -5.927 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.755 -5.601 -5.580 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.739 -6.183 -7.210 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.881 -6.018 -5.471 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.842 -8.442 -7.535 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.771 -9.593 -6.730 1.00 0.00 H new ATOM 478 N THR A 33 -2.819 -5.081 -6.806 1.00 0.00 N ATOM 479 CA THR A 33 -4.195 -4.519 -6.699 1.00 0.00 C ATOM 480 C THR A 33 -4.769 -4.831 -5.311 1.00 0.00 C ATOM 481 O THR A 33 -4.339 -5.750 -4.644 1.00 0.00 O ATOM 482 CB THR A 33 -5.089 -5.155 -7.766 1.00 0.00 C ATOM 483 OG1 THR A 33 -6.448 -5.041 -7.370 1.00 0.00 O ATOM 484 CG2 THR A 33 -4.725 -6.633 -7.924 1.00 0.00 C ATOM 0 H THR A 33 -2.632 -5.890 -6.214 1.00 0.00 H new ATOM 0 HA THR A 33 -4.157 -3.440 -6.846 1.00 0.00 H new ATOM 0 HB THR A 33 -4.942 -4.643 -8.717 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.023 -5.446 -8.053 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.362 -7.085 -8.684 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.681 -6.720 -8.226 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.872 -7.147 -6.974 1.00 0.00 H new ATOM 492 N ALA A 34 -5.745 -4.080 -4.873 1.00 0.00 N ATOM 493 CA ALA A 34 -6.350 -4.344 -3.534 1.00 0.00 C ATOM 494 C ALA A 34 -7.834 -4.667 -3.717 1.00 0.00 C ATOM 495 O ALA A 34 -8.400 -4.433 -4.765 1.00 0.00 O ATOM 496 CB ALA A 34 -6.202 -3.106 -2.649 1.00 0.00 C ATOM 0 H ALA A 34 -6.149 -3.295 -5.384 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.843 -5.184 -3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.645 -3.302 -1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.145 -2.870 -2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.711 -2.262 -3.115 1.00 0.00 H new ATOM 502 N GLU A 35 -8.475 -5.210 -2.715 1.00 0.00 N ATOM 503 CA GLU A 35 -9.916 -5.542 -2.872 1.00 0.00 C ATOM 504 C GLU A 35 -10.588 -5.708 -1.507 1.00 0.00 C ATOM 505 O GLU A 35 -10.314 -6.639 -0.776 1.00 0.00 O ATOM 506 CB GLU A 35 -10.046 -6.849 -3.656 1.00 0.00 C ATOM 507 CG GLU A 35 -9.088 -7.889 -3.074 1.00 0.00 C ATOM 508 CD GLU A 35 -7.796 -7.914 -3.896 1.00 0.00 C ATOM 509 OE1 GLU A 35 -7.887 -8.058 -5.105 1.00 0.00 O ATOM 510 OE2 GLU A 35 -6.738 -7.790 -3.302 1.00 0.00 O ATOM 0 H GLU A 35 -8.067 -5.434 -1.807 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.406 -4.728 -3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.071 -7.215 -3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.819 -6.679 -4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.865 -7.651 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.555 -8.874 -3.082 1.00 0.00 H new ATOM 517 N PHE A 36 -11.492 -4.828 -1.177 1.00 0.00 N ATOM 518 CA PHE A 36 -12.218 -4.947 0.116 1.00 0.00 C ATOM 519 C PHE A 36 -13.660 -4.484 -0.098 1.00 0.00 C ATOM 520 O PHE A 36 -13.981 -3.323 0.055 1.00 0.00 O ATOM 521 CB PHE A 36 -11.561 -4.100 1.208 1.00 0.00 C ATOM 522 CG PHE A 36 -10.411 -3.276 0.668 1.00 0.00 C ATOM 523 CD1 PHE A 36 -10.667 -2.184 -0.158 1.00 0.00 C ATOM 524 CD2 PHE A 36 -9.093 -3.593 1.021 1.00 0.00 C ATOM 525 CE1 PHE A 36 -9.613 -1.398 -0.640 1.00 0.00 C ATOM 526 CE2 PHE A 36 -8.032 -2.813 0.540 1.00 0.00 C ATOM 527 CZ PHE A 36 -8.290 -1.715 -0.289 1.00 0.00 C ATOM 0 H PHE A 36 -11.760 -4.028 -1.751 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.190 -5.986 0.444 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.305 -3.438 1.651 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.199 -4.751 2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.684 -1.942 -0.428 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.894 -4.438 1.664 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.816 -0.551 -1.279 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.015 -3.059 0.809 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.473 -1.112 -0.658 1.00 0.00 H new ATOM 537 N LYS A 37 -14.530 -5.384 -0.473 1.00 0.00 N ATOM 538 CA LYS A 37 -15.947 -4.995 -0.729 1.00 0.00 C ATOM 539 C LYS A 37 -16.703 -4.837 0.592 1.00 0.00 C ATOM 540 O LYS A 37 -16.204 -5.156 1.653 1.00 0.00 O ATOM 541 CB LYS A 37 -16.627 -6.075 -1.567 1.00 0.00 C ATOM 542 CG LYS A 37 -15.694 -6.537 -2.690 1.00 0.00 C ATOM 543 CD LYS A 37 -15.730 -8.064 -2.784 1.00 0.00 C ATOM 544 CE LYS A 37 -14.674 -8.546 -3.779 1.00 0.00 C ATOM 545 NZ LYS A 37 -14.687 -10.035 -3.832 1.00 0.00 N ATOM 0 H LYS A 37 -14.320 -6.372 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.959 -4.045 -1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.895 -6.922 -0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.554 -5.688 -1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.002 -6.096 -3.638 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.677 -6.197 -2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.546 -8.502 -1.803 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.719 -8.395 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.875 -8.134 -4.768 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.688 -8.190 -3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.969 -10.365 -4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.475 -10.418 -2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.626 -10.363 -4.136 1.00 0.00 H new ATOM 559 N GLY A 38 -17.910 -4.338 0.528 1.00 0.00 N ATOM 560 CA GLY A 38 -18.715 -4.145 1.770 1.00 0.00 C ATOM 561 C GLY A 38 -19.580 -2.890 1.617 1.00 0.00 C ATOM 562 O GLY A 38 -20.298 -2.739 0.648 1.00 0.00 O ATOM 0 H GLY A 38 -18.374 -4.055 -0.335 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.345 -5.016 1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.057 -4.045 2.633 1.00 0.00 H new ATOM 566 N THR A 39 -19.519 -1.986 2.559 1.00 0.00 N ATOM 567 CA THR A 39 -20.341 -0.746 2.448 1.00 0.00 C ATOM 568 C THR A 39 -19.901 0.039 1.201 1.00 0.00 C ATOM 569 O THR A 39 -20.085 -0.423 0.092 1.00 0.00 O ATOM 570 CB THR A 39 -20.181 0.097 3.719 1.00 0.00 C ATOM 571 OG1 THR A 39 -20.725 1.393 3.510 1.00 0.00 O ATOM 572 CG2 THR A 39 -18.703 0.203 4.089 1.00 0.00 C ATOM 0 H THR A 39 -18.939 -2.052 3.396 1.00 0.00 H new ATOM 0 HA THR A 39 -21.395 -1.002 2.345 1.00 0.00 H new ATOM 0 HB THR A 39 -20.717 -0.384 4.537 1.00 0.00 H new ATOM 0 HG1 THR A 39 -20.622 1.927 4.325 1.00 0.00 H new ATOM 0 HG21 THR A 39 -18.596 0.803 4.993 1.00 0.00 H new ATOM 0 HG22 THR A 39 -18.300 -0.794 4.266 1.00 0.00 H new ATOM 0 HG23 THR A 39 -18.157 0.676 3.273 1.00 0.00 H new ATOM 580 N PHE A 40 -19.337 1.214 1.338 1.00 0.00 N ATOM 581 CA PHE A 40 -18.935 1.956 0.114 1.00 0.00 C ATOM 582 C PHE A 40 -17.616 2.718 0.297 1.00 0.00 C ATOM 583 O PHE A 40 -16.548 2.177 0.086 1.00 0.00 O ATOM 584 CB PHE A 40 -20.051 2.920 -0.272 1.00 0.00 C ATOM 585 CG PHE A 40 -19.754 3.512 -1.634 1.00 0.00 C ATOM 586 CD1 PHE A 40 -20.197 2.862 -2.793 1.00 0.00 C ATOM 587 CD2 PHE A 40 -19.021 4.703 -1.741 1.00 0.00 C ATOM 588 CE1 PHE A 40 -19.912 3.403 -4.053 1.00 0.00 C ATOM 589 CE2 PHE A 40 -18.733 5.240 -3.001 1.00 0.00 C ATOM 590 CZ PHE A 40 -19.179 4.593 -4.156 1.00 0.00 C ATOM 0 H PHE A 40 -19.143 1.679 2.225 1.00 0.00 H new ATOM 0 HA PHE A 40 -18.770 1.229 -0.681 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -21.008 2.398 -0.291 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -20.135 3.713 0.471 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -20.759 1.943 -2.715 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -18.678 5.207 -0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -20.257 2.903 -4.946 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -18.165 6.155 -3.080 1.00 0.00 H new ATOM 0 HZ PHE A 40 -18.959 5.010 -5.128 1.00 0.00 H new ATOM 600 N GLU A 41 -17.675 3.975 0.638 1.00 0.00 N ATOM 601 CA GLU A 41 -16.428 4.773 0.774 1.00 0.00 C ATOM 602 C GLU A 41 -15.644 4.351 2.015 1.00 0.00 C ATOM 603 O GLU A 41 -14.461 4.610 2.125 1.00 0.00 O ATOM 604 CB GLU A 41 -16.804 6.249 0.848 1.00 0.00 C ATOM 605 CG GLU A 41 -15.537 7.102 0.895 1.00 0.00 C ATOM 606 CD GLU A 41 -15.521 7.933 2.180 1.00 0.00 C ATOM 607 OE1 GLU A 41 -16.300 7.629 3.068 1.00 0.00 O ATOM 608 OE2 GLU A 41 -14.731 8.859 2.253 1.00 0.00 O ATOM 0 H GLU A 41 -18.538 4.485 0.829 1.00 0.00 H new ATOM 0 HA GLU A 41 -15.786 4.599 -0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.407 6.524 -0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.412 6.435 1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -14.655 6.463 0.853 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -15.497 7.758 0.026 1.00 0.00 H new ATOM 615 N LYS A 42 -16.272 3.688 2.944 1.00 0.00 N ATOM 616 CA LYS A 42 -15.530 3.243 4.146 1.00 0.00 C ATOM 617 C LYS A 42 -14.350 2.392 3.680 1.00 0.00 C ATOM 618 O LYS A 42 -13.264 2.458 4.221 1.00 0.00 O ATOM 619 CB LYS A 42 -16.448 2.404 5.032 1.00 0.00 C ATOM 620 CG LYS A 42 -15.616 1.647 6.070 1.00 0.00 C ATOM 621 CD LYS A 42 -16.547 0.828 6.967 1.00 0.00 C ATOM 622 CE LYS A 42 -15.845 -0.462 7.398 1.00 0.00 C ATOM 623 NZ LYS A 42 -16.143 -1.545 6.417 1.00 0.00 N ATOM 0 H LYS A 42 -17.261 3.438 2.921 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.179 4.102 4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.173 3.046 5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -17.013 1.700 4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.902 0.991 5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.038 2.349 6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.828 1.411 7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -17.467 0.592 6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.769 -0.299 7.460 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.181 -0.756 8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.665 -2.421 6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.170 -1.706 6.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.802 -1.264 5.476 1.00 0.00 H new ATOM 637 N ALA A 43 -14.563 1.597 2.664 1.00 0.00 N ATOM 638 CA ALA A 43 -13.466 0.741 2.137 1.00 0.00 C ATOM 639 C ALA A 43 -12.425 1.629 1.455 1.00 0.00 C ATOM 640 O ALA A 43 -11.259 1.301 1.403 1.00 0.00 O ATOM 641 CB ALA A 43 -14.034 -0.264 1.136 1.00 0.00 C ATOM 0 H ALA A 43 -15.454 1.505 2.176 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.997 0.195 2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.228 -0.890 0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.776 -0.891 1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.504 0.271 0.310 1.00 0.00 H new ATOM 647 N THR A 44 -12.835 2.756 0.938 1.00 0.00 N ATOM 648 CA THR A 44 -11.860 3.672 0.274 1.00 0.00 C ATOM 649 C THR A 44 -10.763 4.042 1.279 1.00 0.00 C ATOM 650 O THR A 44 -9.595 4.055 0.955 1.00 0.00 O ATOM 651 CB THR A 44 -12.599 4.928 -0.229 1.00 0.00 C ATOM 652 OG1 THR A 44 -12.114 5.270 -1.519 1.00 0.00 O ATOM 653 CG2 THR A 44 -12.386 6.115 0.722 1.00 0.00 C ATOM 0 H THR A 44 -13.801 3.083 0.946 1.00 0.00 H new ATOM 0 HA THR A 44 -11.399 3.182 -0.583 1.00 0.00 H new ATOM 0 HB THR A 44 -13.666 4.707 -0.270 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.582 6.067 -1.844 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.919 6.986 0.341 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.766 5.861 1.712 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.322 6.341 0.789 1.00 0.00 H new ATOM 661 N SER A 45 -11.133 4.334 2.498 1.00 0.00 N ATOM 662 CA SER A 45 -10.113 4.689 3.526 1.00 0.00 C ATOM 663 C SER A 45 -9.341 3.427 3.895 1.00 0.00 C ATOM 664 O SER A 45 -8.131 3.386 3.816 1.00 0.00 O ATOM 665 CB SER A 45 -10.811 5.251 4.765 1.00 0.00 C ATOM 666 OG SER A 45 -11.749 4.299 5.247 1.00 0.00 O ATOM 0 H SER A 45 -12.099 4.342 2.826 1.00 0.00 H new ATOM 0 HA SER A 45 -9.429 5.442 3.135 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.077 5.479 5.538 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.317 6.185 4.520 1.00 0.00 H new ATOM 0 HG SER A 45 -12.210 3.882 4.490 1.00 0.00 H new ATOM 672 N GLU A 46 -10.027 2.383 4.276 1.00 0.00 N ATOM 673 CA GLU A 46 -9.314 1.122 4.617 1.00 0.00 C ATOM 674 C GLU A 46 -8.364 0.788 3.468 1.00 0.00 C ATOM 675 O GLU A 46 -7.372 0.110 3.637 1.00 0.00 O ATOM 676 CB GLU A 46 -10.324 -0.008 4.793 1.00 0.00 C ATOM 677 CG GLU A 46 -10.255 -0.542 6.225 1.00 0.00 C ATOM 678 CD GLU A 46 -9.312 -1.745 6.277 1.00 0.00 C ATOM 679 OE1 GLU A 46 -8.793 -2.110 5.234 1.00 0.00 O ATOM 680 OE2 GLU A 46 -9.125 -2.280 7.357 1.00 0.00 O ATOM 0 H GLU A 46 -11.043 2.350 4.365 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.757 1.242 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.330 0.353 4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.114 -0.810 4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.903 0.239 6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.249 -0.831 6.565 1.00 0.00 H new ATOM 687 N ALA A 47 -8.665 1.282 2.297 1.00 0.00 N ATOM 688 CA ALA A 47 -7.791 1.030 1.120 1.00 0.00 C ATOM 689 C ALA A 47 -6.619 2.002 1.175 1.00 0.00 C ATOM 690 O ALA A 47 -5.486 1.654 0.906 1.00 0.00 O ATOM 691 CB ALA A 47 -8.586 1.267 -0.165 1.00 0.00 C ATOM 0 H ALA A 47 -9.487 1.854 2.106 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.430 0.002 1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.946 1.083 -1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.440 0.590 -0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.940 2.298 -0.189 1.00 0.00 H new ATOM 697 N TYR A 48 -6.893 3.223 1.535 1.00 0.00 N ATOM 698 CA TYR A 48 -5.822 4.239 1.630 1.00 0.00 C ATOM 699 C TYR A 48 -4.776 3.748 2.624 1.00 0.00 C ATOM 700 O TYR A 48 -3.600 4.024 2.502 1.00 0.00 O ATOM 701 CB TYR A 48 -6.436 5.551 2.103 1.00 0.00 C ATOM 702 CG TYR A 48 -5.818 6.705 1.355 1.00 0.00 C ATOM 703 CD1 TYR A 48 -5.959 6.787 -0.034 1.00 0.00 C ATOM 704 CD2 TYR A 48 -5.122 7.704 2.048 1.00 0.00 C ATOM 705 CE1 TYR A 48 -5.407 7.864 -0.730 1.00 0.00 C ATOM 706 CE2 TYR A 48 -4.570 8.785 1.351 1.00 0.00 C ATOM 707 CZ TYR A 48 -4.714 8.866 -0.039 1.00 0.00 C ATOM 708 OH TYR A 48 -4.170 9.930 -0.730 1.00 0.00 O ATOM 0 H TYR A 48 -7.827 3.560 1.770 1.00 0.00 H new ATOM 0 HA TYR A 48 -5.347 4.398 0.662 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.514 5.537 1.942 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.275 5.673 3.174 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.495 6.017 -0.568 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.011 7.640 3.120 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.515 7.925 -1.803 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.034 9.556 1.885 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.724 10.535 -0.101 1.00 0.00 H new ATOM 718 N ALA A 49 -5.207 2.992 3.590 1.00 0.00 N ATOM 719 CA ALA A 49 -4.260 2.436 4.589 1.00 0.00 C ATOM 720 C ALA A 49 -3.591 1.214 3.969 1.00 0.00 C ATOM 721 O ALA A 49 -2.467 0.880 4.278 1.00 0.00 O ATOM 722 CB ALA A 49 -5.021 2.027 5.852 1.00 0.00 C ATOM 0 H ALA A 49 -6.184 2.733 3.731 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.513 3.181 4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.322 1.620 6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.520 2.899 6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.764 1.271 5.600 1.00 0.00 H new ATOM 728 N TYR A 50 -4.281 0.553 3.076 1.00 0.00 N ATOM 729 CA TYR A 50 -3.696 -0.636 2.405 1.00 0.00 C ATOM 730 C TYR A 50 -2.425 -0.200 1.675 1.00 0.00 C ATOM 731 O TYR A 50 -1.400 -0.848 1.743 1.00 0.00 O ATOM 732 CB TYR A 50 -4.714 -1.176 1.404 1.00 0.00 C ATOM 733 CG TYR A 50 -4.246 -2.491 0.835 1.00 0.00 C ATOM 734 CD1 TYR A 50 -3.737 -3.486 1.678 1.00 0.00 C ATOM 735 CD2 TYR A 50 -4.334 -2.716 -0.541 1.00 0.00 C ATOM 736 CE1 TYR A 50 -3.317 -4.709 1.139 1.00 0.00 C ATOM 737 CE2 TYR A 50 -3.914 -3.936 -1.080 1.00 0.00 C ATOM 738 CZ TYR A 50 -3.405 -4.934 -0.241 1.00 0.00 C ATOM 739 OH TYR A 50 -2.992 -6.139 -0.773 1.00 0.00 O ATOM 0 H TYR A 50 -5.229 0.790 2.784 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.452 -1.414 3.129 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.679 -1.307 1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.859 -0.455 0.599 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.668 -3.311 2.742 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.727 -1.947 -1.189 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.925 -5.479 1.788 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.982 -4.108 -2.144 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.122 -6.130 -1.744 1.00 0.00 H new ATOM 749 N ALA A 51 -2.487 0.908 0.988 1.00 0.00 N ATOM 750 CA ALA A 51 -1.290 1.414 0.257 1.00 0.00 C ATOM 751 C ALA A 51 -0.314 2.049 1.252 1.00 0.00 C ATOM 752 O ALA A 51 0.889 1.961 1.096 1.00 0.00 O ATOM 753 CB ALA A 51 -1.730 2.466 -0.765 1.00 0.00 C ATOM 0 H ALA A 51 -3.321 1.488 0.901 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.799 0.587 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.858 2.839 -1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.427 2.017 -1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.219 3.292 -0.249 1.00 0.00 H new ATOM 759 N ASP A 52 -0.820 2.690 2.270 1.00 0.00 N ATOM 760 CA ASP A 52 0.083 3.331 3.269 1.00 0.00 C ATOM 761 C ASP A 52 0.988 2.270 3.898 1.00 0.00 C ATOM 762 O ASP A 52 2.135 2.525 4.209 1.00 0.00 O ATOM 763 CB ASP A 52 -0.755 3.996 4.362 1.00 0.00 C ATOM 764 CG ASP A 52 -0.093 5.310 4.781 1.00 0.00 C ATOM 765 OD1 ASP A 52 1.076 5.487 4.475 1.00 0.00 O ATOM 766 OD2 ASP A 52 -0.764 6.117 5.402 1.00 0.00 O ATOM 0 H ASP A 52 -1.818 2.798 2.453 1.00 0.00 H new ATOM 0 HA ASP A 52 0.696 4.082 2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.765 4.185 3.997 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.846 3.331 5.221 1.00 0.00 H new ATOM 771 N THR A 53 0.482 1.083 4.089 1.00 0.00 N ATOM 772 CA THR A 53 1.310 0.003 4.697 1.00 0.00 C ATOM 773 C THR A 53 2.238 -0.580 3.626 1.00 0.00 C ATOM 774 O THR A 53 3.234 -1.208 3.928 1.00 0.00 O ATOM 775 CB THR A 53 0.388 -1.092 5.250 1.00 0.00 C ATOM 776 OG1 THR A 53 -0.132 -0.677 6.505 1.00 0.00 O ATOM 777 CG2 THR A 53 1.168 -2.398 5.433 1.00 0.00 C ATOM 0 H THR A 53 -0.472 0.813 3.850 1.00 0.00 H new ATOM 0 HA THR A 53 1.911 0.406 5.512 1.00 0.00 H new ATOM 0 HB THR A 53 -0.427 -1.260 4.546 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.723 -1.373 6.861 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.503 -3.167 5.826 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.568 -2.721 4.472 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.989 -2.237 6.132 1.00 0.00 H new ATOM 785 N LEU A 54 1.917 -0.374 2.377 1.00 0.00 N ATOM 786 CA LEU A 54 2.776 -0.911 1.286 1.00 0.00 C ATOM 787 C LEU A 54 3.819 0.138 0.900 1.00 0.00 C ATOM 788 O LEU A 54 4.259 0.202 -0.230 1.00 0.00 O ATOM 789 CB LEU A 54 1.910 -1.242 0.069 1.00 0.00 C ATOM 790 CG LEU A 54 1.927 -2.750 -0.176 1.00 0.00 C ATOM 791 CD1 LEU A 54 0.697 -3.150 -0.992 1.00 0.00 C ATOM 792 CD2 LEU A 54 3.194 -3.126 -0.949 1.00 0.00 C ATOM 0 H LEU A 54 1.095 0.144 2.066 1.00 0.00 H new ATOM 0 HA LEU A 54 3.278 -1.816 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.888 -0.901 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.283 -0.716 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 54 1.914 -3.273 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.710 -4.226 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.206 -2.882 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.709 -2.627 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.207 -4.202 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.206 -2.602 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.072 -2.842 -0.369 1.00 0.00 H new ATOM 804 N LYS A 55 4.219 0.964 1.829 1.00 0.00 N ATOM 805 CA LYS A 55 5.234 2.008 1.512 1.00 0.00 C ATOM 806 C LYS A 55 6.627 1.499 1.891 1.00 0.00 C ATOM 807 O LYS A 55 7.421 2.212 2.472 1.00 0.00 O ATOM 808 CB LYS A 55 4.928 3.279 2.307 1.00 0.00 C ATOM 809 CG LYS A 55 5.980 4.343 1.986 1.00 0.00 C ATOM 810 CD LYS A 55 6.771 4.678 3.251 1.00 0.00 C ATOM 811 CE LYS A 55 6.588 6.160 3.586 1.00 0.00 C ATOM 812 NZ LYS A 55 6.880 6.385 5.032 1.00 0.00 N ATOM 0 H LYS A 55 3.887 0.960 2.793 1.00 0.00 H new ATOM 0 HA LYS A 55 5.203 2.228 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.933 3.648 2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.928 3.062 3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.653 3.981 1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.498 5.240 1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.429 4.061 4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.828 4.455 3.103 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.253 6.767 2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.569 6.472 3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.755 7.392 5.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.229 5.817 5.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.860 6.103 5.236 1.00 0.00 H new ATOM 826 N LYS A 56 6.934 0.274 1.566 1.00 0.00 N ATOM 827 CA LYS A 56 8.278 -0.270 1.910 1.00 0.00 C ATOM 828 C LYS A 56 9.344 0.765 1.550 1.00 0.00 C ATOM 829 O LYS A 56 10.143 1.166 2.373 1.00 0.00 O ATOM 830 CB LYS A 56 8.525 -1.556 1.116 1.00 0.00 C ATOM 831 CG LYS A 56 7.824 -2.724 1.813 1.00 0.00 C ATOM 832 CD LYS A 56 6.541 -3.068 1.056 1.00 0.00 C ATOM 833 CE LYS A 56 5.559 -3.750 2.008 1.00 0.00 C ATOM 834 NZ LYS A 56 5.567 -5.218 1.757 1.00 0.00 N ATOM 0 H LYS A 56 6.314 -0.373 1.078 1.00 0.00 H new ATOM 0 HA LYS A 56 8.325 -0.489 2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.149 -1.447 0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.595 -1.751 1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.484 -3.591 1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.591 -2.460 2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.095 -2.163 0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.766 -3.725 0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.836 -3.545 3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.556 -3.350 1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.899 -5.684 2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.283 -5.404 0.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.524 -5.593 1.918 1.00 0.00 H new ATOM 848 N ASP A 57 9.354 1.200 0.323 1.00 0.00 N ATOM 849 CA ASP A 57 10.354 2.212 -0.113 1.00 0.00 C ATOM 850 C ASP A 57 10.066 2.589 -1.565 1.00 0.00 C ATOM 851 O ASP A 57 10.962 2.821 -2.350 1.00 0.00 O ATOM 852 CB ASP A 57 11.764 1.629 -0.001 1.00 0.00 C ATOM 853 CG ASP A 57 12.784 2.769 0.040 1.00 0.00 C ATOM 854 OD1 ASP A 57 12.910 3.459 -0.959 1.00 0.00 O ATOM 855 OD2 ASP A 57 13.418 2.934 1.068 1.00 0.00 O ATOM 0 H ASP A 57 8.706 0.895 -0.403 1.00 0.00 H new ATOM 0 HA ASP A 57 10.288 3.096 0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.847 1.020 0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.967 0.975 -0.849 1.00 0.00 H new ATOM 860 N ASN A 58 8.813 2.638 -1.925 1.00 0.00 N ATOM 861 CA ASN A 58 8.446 2.986 -3.321 1.00 0.00 C ATOM 862 C ASN A 58 8.509 4.503 -3.511 1.00 0.00 C ATOM 863 O ASN A 58 8.702 4.991 -4.607 1.00 0.00 O ATOM 864 CB ASN A 58 7.040 2.474 -3.610 1.00 0.00 C ATOM 865 CG ASN A 58 6.811 1.164 -2.847 1.00 0.00 C ATOM 866 OD1 ASN A 58 7.152 0.102 -3.326 1.00 0.00 O ATOM 867 ND2 ASN A 58 6.250 1.195 -1.668 1.00 0.00 N ATOM 0 H ASN A 58 8.025 2.450 -1.306 1.00 0.00 H new ATOM 0 HA ASN A 58 9.147 2.520 -4.014 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.301 3.217 -3.310 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.912 2.312 -4.680 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.099 0.328 -1.152 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.963 2.086 -1.263 1.00 0.00 H new ATOM 874 N GLY A 59 8.369 5.257 -2.455 1.00 0.00 N ATOM 875 CA GLY A 59 8.446 6.738 -2.597 1.00 0.00 C ATOM 876 C GLY A 59 7.077 7.368 -2.364 1.00 0.00 C ATOM 877 O GLY A 59 6.823 8.485 -2.768 1.00 0.00 O ATOM 0 H GLY A 59 8.206 4.915 -1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.165 7.141 -1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.807 6.996 -3.593 1.00 0.00 H new ATOM 881 N GLU A 60 6.189 6.661 -1.729 1.00 0.00 N ATOM 882 CA GLU A 60 4.836 7.216 -1.484 1.00 0.00 C ATOM 883 C GLU A 60 4.041 7.125 -2.781 1.00 0.00 C ATOM 884 O GLU A 60 4.538 6.663 -3.790 1.00 0.00 O ATOM 885 CB GLU A 60 4.953 8.674 -1.037 1.00 0.00 C ATOM 886 CG GLU A 60 6.175 8.823 -0.126 1.00 0.00 C ATOM 887 CD GLU A 60 5.775 9.555 1.158 1.00 0.00 C ATOM 888 OE1 GLU A 60 5.078 8.958 1.962 1.00 0.00 O ATOM 889 OE2 GLU A 60 6.175 10.698 1.316 1.00 0.00 O ATOM 0 H GLU A 60 6.344 5.720 -1.368 1.00 0.00 H new ATOM 0 HA GLU A 60 4.330 6.653 -0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.049 9.327 -1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.050 8.979 -0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.583 7.841 0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.960 9.376 -0.642 1.00 0.00 H new ATOM 896 N TYR A 61 2.812 7.543 -2.774 1.00 0.00 N ATOM 897 CA TYR A 61 2.009 7.450 -4.024 1.00 0.00 C ATOM 898 C TYR A 61 0.916 8.507 -4.069 1.00 0.00 C ATOM 899 O TYR A 61 0.450 8.995 -3.059 1.00 0.00 O ATOM 900 CB TYR A 61 1.337 6.084 -4.093 1.00 0.00 C ATOM 901 CG TYR A 61 0.647 5.795 -2.780 1.00 0.00 C ATOM 902 CD1 TYR A 61 -0.686 6.184 -2.563 1.00 0.00 C ATOM 903 CD2 TYR A 61 1.348 5.122 -1.780 1.00 0.00 C ATOM 904 CE1 TYR A 61 -1.307 5.892 -1.341 1.00 0.00 C ATOM 905 CE2 TYR A 61 0.734 4.834 -0.564 1.00 0.00 C ATOM 906 CZ TYR A 61 -0.596 5.216 -0.340 1.00 0.00 C ATOM 907 OH TYR A 61 -1.203 4.929 0.865 1.00 0.00 O ATOM 0 H TYR A 61 2.330 7.941 -1.968 1.00 0.00 H new ATOM 0 HA TYR A 61 2.689 7.602 -4.862 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.614 6.063 -4.908 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.078 5.313 -4.304 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.230 6.706 -3.336 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.372 4.823 -1.949 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.332 6.187 -1.171 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.283 4.315 0.208 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.123 5.265 0.856 1.00 0.00 H new ATOM 917 N THR A 62 0.468 8.812 -5.253 1.00 0.00 N ATOM 918 CA THR A 62 -0.639 9.779 -5.410 1.00 0.00 C ATOM 919 C THR A 62 -1.882 8.961 -5.742 1.00 0.00 C ATOM 920 O THR A 62 -1.877 8.159 -6.655 1.00 0.00 O ATOM 921 CB THR A 62 -0.332 10.751 -6.550 1.00 0.00 C ATOM 922 OG1 THR A 62 0.984 10.513 -7.030 1.00 0.00 O ATOM 923 CG2 THR A 62 -0.439 12.189 -6.039 1.00 0.00 C ATOM 0 H THR A 62 0.829 8.426 -6.125 1.00 0.00 H new ATOM 0 HA THR A 62 -0.781 10.366 -4.503 1.00 0.00 H new ATOM 0 HB THR A 62 -1.047 10.602 -7.359 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.182 11.134 -7.762 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.220 12.881 -6.852 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.449 12.370 -5.670 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.275 12.342 -5.230 1.00 0.00 H new ATOM 931 N VAL A 63 -2.931 9.114 -4.999 1.00 0.00 N ATOM 932 CA VAL A 63 -4.136 8.295 -5.277 1.00 0.00 C ATOM 933 C VAL A 63 -4.906 8.871 -6.458 1.00 0.00 C ATOM 934 O VAL A 63 -5.152 10.057 -6.542 1.00 0.00 O ATOM 935 CB VAL A 63 -5.025 8.274 -4.041 1.00 0.00 C ATOM 936 CG1 VAL A 63 -5.480 9.696 -3.709 1.00 0.00 C ATOM 937 CG2 VAL A 63 -6.248 7.394 -4.309 1.00 0.00 C ATOM 0 H VAL A 63 -3.010 9.764 -4.217 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.829 7.279 -5.525 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.464 7.871 -3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.116 9.677 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.608 10.321 -3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.040 10.104 -4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.885 7.378 -3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.808 7.797 -5.153 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.923 6.380 -4.540 1.00 0.00 H new ATOM 947 N ASP A 64 -5.296 8.025 -7.372 1.00 0.00 N ATOM 948 CA ASP A 64 -6.055 8.494 -8.549 1.00 0.00 C ATOM 949 C ASP A 64 -7.541 8.317 -8.270 1.00 0.00 C ATOM 950 O ASP A 64 -7.951 7.453 -7.521 1.00 0.00 O ATOM 951 CB ASP A 64 -5.665 7.673 -9.780 1.00 0.00 C ATOM 952 CG ASP A 64 -4.958 8.575 -10.792 1.00 0.00 C ATOM 953 OD1 ASP A 64 -3.888 9.067 -10.472 1.00 0.00 O ATOM 954 OD2 ASP A 64 -5.499 8.760 -11.870 1.00 0.00 O ATOM 0 H ASP A 64 -5.116 7.021 -7.347 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.831 9.544 -8.739 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.010 6.851 -9.490 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.553 7.229 -10.230 1.00 0.00 H new ATOM 959 N VAL A 65 -8.340 9.136 -8.863 1.00 0.00 N ATOM 960 CA VAL A 65 -9.809 9.044 -8.643 1.00 0.00 C ATOM 961 C VAL A 65 -10.493 8.600 -9.939 1.00 0.00 C ATOM 962 O VAL A 65 -10.572 9.344 -10.896 1.00 0.00 O ATOM 963 CB VAL A 65 -10.343 10.418 -8.218 1.00 0.00 C ATOM 964 CG1 VAL A 65 -11.863 10.466 -8.384 1.00 0.00 C ATOM 965 CG2 VAL A 65 -9.987 10.673 -6.750 1.00 0.00 C ATOM 0 H VAL A 65 -8.044 9.876 -9.499 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.019 8.315 -7.860 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.889 11.184 -8.847 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.232 11.446 -8.080 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.121 10.290 -9.428 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.321 9.697 -7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.366 11.649 -6.448 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.437 9.900 -6.127 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.904 10.651 -6.629 1.00 0.00 H new ATOM 975 N ALA A 66 -10.991 7.396 -9.974 1.00 0.00 N ATOM 976 CA ALA A 66 -11.672 6.909 -11.205 1.00 0.00 C ATOM 977 C ALA A 66 -12.923 6.115 -10.819 1.00 0.00 C ATOM 978 O ALA A 66 -13.035 5.607 -9.720 1.00 0.00 O ATOM 979 CB ALA A 66 -10.719 6.010 -11.995 1.00 0.00 C ATOM 0 H ALA A 66 -10.956 6.728 -9.204 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.960 7.761 -11.820 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.218 5.654 -12.896 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.830 6.577 -12.272 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.429 5.158 -11.380 1.00 0.00 H new ATOM 985 N ASP A 67 -13.865 6.002 -11.716 1.00 0.00 N ATOM 986 CA ASP A 67 -15.110 5.242 -11.406 1.00 0.00 C ATOM 987 C ASP A 67 -15.985 6.037 -10.433 1.00 0.00 C ATOM 988 O ASP A 67 -16.739 5.474 -9.665 1.00 0.00 O ATOM 989 CB ASP A 67 -14.754 3.902 -10.786 1.00 0.00 C ATOM 990 CG ASP A 67 -15.758 2.843 -11.248 1.00 0.00 C ATOM 991 OD1 ASP A 67 -16.076 2.831 -12.425 1.00 0.00 O ATOM 992 OD2 ASP A 67 -16.193 2.065 -10.415 1.00 0.00 O ATOM 0 H ASP A 67 -13.826 6.404 -12.652 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.662 5.080 -12.332 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.744 3.612 -11.076 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.764 3.978 -9.699 1.00 0.00 H new ATOM 997 N LYS A 68 -15.892 7.339 -10.468 1.00 0.00 N ATOM 998 CA LYS A 68 -16.720 8.188 -9.557 1.00 0.00 C ATOM 999 C LYS A 68 -16.050 8.293 -8.180 1.00 0.00 C ATOM 1000 O LYS A 68 -16.678 8.658 -7.205 1.00 0.00 O ATOM 1001 CB LYS A 68 -18.140 7.596 -9.437 1.00 0.00 C ATOM 1002 CG LYS A 68 -18.313 6.830 -8.116 1.00 0.00 C ATOM 1003 CD LYS A 68 -19.439 5.805 -8.262 1.00 0.00 C ATOM 1004 CE LYS A 68 -18.904 4.409 -7.941 1.00 0.00 C ATOM 1005 NZ LYS A 68 -19.957 3.397 -8.238 1.00 0.00 N ATOM 0 H LYS A 68 -15.274 7.857 -11.093 1.00 0.00 H new ATOM 0 HA LYS A 68 -16.800 9.192 -9.973 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.877 8.397 -9.495 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.330 6.927 -10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.383 6.328 -7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.542 7.525 -7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -20.261 6.054 -7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -19.837 5.829 -9.276 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.011 4.205 -8.531 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.613 4.351 -6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.596 2.446 -8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -20.797 3.590 -7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -20.213 3.448 -9.245 1.00 0.00 H new ATOM 1019 N GLY A 69 -14.787 7.985 -8.088 1.00 0.00 N ATOM 1020 CA GLY A 69 -14.098 8.080 -6.771 1.00 0.00 C ATOM 1021 C GLY A 69 -14.085 6.712 -6.088 1.00 0.00 C ATOM 1022 O GLY A 69 -13.558 6.556 -5.004 1.00 0.00 O ATOM 0 H GLY A 69 -14.204 7.673 -8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.077 8.436 -6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.606 8.807 -6.137 1.00 0.00 H new ATOM 1026 N TYR A 70 -14.667 5.722 -6.705 1.00 0.00 N ATOM 1027 CA TYR A 70 -14.695 4.374 -6.086 1.00 0.00 C ATOM 1028 C TYR A 70 -13.382 3.646 -6.374 1.00 0.00 C ATOM 1029 O TYR A 70 -12.708 3.185 -5.475 1.00 0.00 O ATOM 1030 CB TYR A 70 -15.860 3.580 -6.660 1.00 0.00 C ATOM 1031 CG TYR A 70 -16.559 2.800 -5.566 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -16.693 3.345 -4.278 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -17.086 1.532 -5.844 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -17.349 2.624 -3.275 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -17.741 0.814 -4.842 1.00 0.00 C ATOM 1036 CZ TYR A 70 -17.872 1.355 -3.560 1.00 0.00 C ATOM 1037 OH TYR A 70 -18.521 0.635 -2.581 1.00 0.00 O ATOM 0 H TYR A 70 -15.125 5.792 -7.614 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.818 4.472 -5.007 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -16.567 4.256 -7.141 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -15.499 2.897 -7.428 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -16.289 4.323 -4.062 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -16.986 1.110 -6.833 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -17.452 3.043 -2.285 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -18.148 -0.163 -5.058 1.00 0.00 H new ATOM 0 HH TYR A 70 -19.452 0.934 -2.518 1.00 0.00 H new ATOM 1047 N THR A 71 -13.009 3.544 -7.617 1.00 0.00 N ATOM 1048 CA THR A 71 -11.737 2.848 -7.949 1.00 0.00 C ATOM 1049 C THR A 71 -10.568 3.803 -7.702 1.00 0.00 C ATOM 1050 O THR A 71 -10.436 4.822 -8.351 1.00 0.00 O ATOM 1051 CB THR A 71 -11.753 2.416 -9.418 1.00 0.00 C ATOM 1052 OG1 THR A 71 -12.936 1.669 -9.678 1.00 0.00 O ATOM 1053 CG2 THR A 71 -10.525 1.552 -9.710 1.00 0.00 C ATOM 0 H THR A 71 -13.527 3.911 -8.415 1.00 0.00 H new ATOM 0 HA THR A 71 -11.626 1.964 -7.322 1.00 0.00 H new ATOM 0 HB THR A 71 -11.733 3.298 -10.058 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.949 1.393 -10.618 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.537 1.245 -10.756 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.620 2.126 -9.511 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.542 0.668 -9.072 1.00 0.00 H new ATOM 1061 N LEU A 72 -9.711 3.476 -6.773 1.00 0.00 N ATOM 1062 CA LEU A 72 -8.544 4.361 -6.494 1.00 0.00 C ATOM 1063 C LEU A 72 -7.266 3.632 -6.891 1.00 0.00 C ATOM 1064 O LEU A 72 -6.748 2.819 -6.152 1.00 0.00 O ATOM 1065 CB LEU A 72 -8.453 4.737 -5.002 1.00 0.00 C ATOM 1066 CG LEU A 72 -9.587 4.104 -4.190 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -9.145 3.971 -2.730 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -10.822 5.003 -4.262 1.00 0.00 C ATOM 0 H LEU A 72 -9.768 2.636 -6.196 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.671 5.278 -7.070 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.493 4.411 -4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.491 5.821 -4.897 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.825 3.120 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.948 3.521 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.258 3.340 -2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.914 4.958 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.632 4.556 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.582 5.984 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.133 5.111 -5.301 1.00 0.00 H new ATOM 1080 N ASN A 73 -6.740 3.927 -8.046 1.00 0.00 N ATOM 1081 CA ASN A 73 -5.479 3.257 -8.469 1.00 0.00 C ATOM 1082 C ASN A 73 -4.325 3.935 -7.738 1.00 0.00 C ATOM 1083 O ASN A 73 -3.939 5.043 -8.051 1.00 0.00 O ATOM 1084 CB ASN A 73 -5.302 3.399 -9.975 1.00 0.00 C ATOM 1085 CG ASN A 73 -6.359 2.564 -10.712 1.00 0.00 C ATOM 1086 OD1 ASN A 73 -7.142 1.756 -10.041 1.00 0.00 O flip ATOM 1087 ND2 ASN A 73 -6.476 2.649 -11.918 1.00 0.00 N flip ATOM 0 H ASN A 73 -7.125 4.598 -8.711 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.507 2.195 -8.226 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.390 4.447 -10.262 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.303 3.072 -10.264 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.869 3.276 -12.446 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.181 2.093 -12.402 1.00 0.00 H new ATOM 1094 N ILE A 74 -3.793 3.286 -6.741 1.00 0.00 N ATOM 1095 CA ILE A 74 -2.689 3.896 -5.954 1.00 0.00 C ATOM 1096 C ILE A 74 -1.369 3.766 -6.712 1.00 0.00 C ATOM 1097 O ILE A 74 -0.628 2.820 -6.531 1.00 0.00 O ATOM 1098 CB ILE A 74 -2.571 3.165 -4.617 1.00 0.00 C ATOM 1099 CG1 ILE A 74 -3.897 3.264 -3.858 1.00 0.00 C ATOM 1100 CG2 ILE A 74 -1.463 3.796 -3.780 1.00 0.00 C ATOM 1101 CD1 ILE A 74 -4.246 1.898 -3.265 1.00 0.00 C ATOM 0 H ILE A 74 -4.078 2.355 -6.437 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.904 4.952 -5.791 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.334 2.118 -4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.820 4.008 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.689 3.594 -4.530 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.383 3.272 -2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.516 3.723 -4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.697 4.845 -3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.190 1.967 -2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.340 1.166 -4.067 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.457 1.586 -2.580 1.00 0.00 H new ATOM 1113 N LYS A 75 -1.058 4.720 -7.546 1.00 0.00 N ATOM 1114 CA LYS A 75 0.221 4.663 -8.296 1.00 0.00 C ATOM 1115 C LYS A 75 1.314 5.273 -7.418 1.00 0.00 C ATOM 1116 O LYS A 75 1.162 6.360 -6.897 1.00 0.00 O ATOM 1117 CB LYS A 75 0.084 5.461 -9.588 1.00 0.00 C ATOM 1118 CG LYS A 75 -0.297 4.515 -10.731 1.00 0.00 C ATOM 1119 CD LYS A 75 0.943 4.200 -11.568 1.00 0.00 C ATOM 1120 CE LYS A 75 1.340 5.437 -12.374 1.00 0.00 C ATOM 1121 NZ LYS A 75 0.903 5.269 -13.788 1.00 0.00 N ATOM 0 H LYS A 75 -1.638 5.537 -7.738 1.00 0.00 H new ATOM 0 HA LYS A 75 0.475 3.633 -8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.676 6.234 -9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.022 5.967 -9.817 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.721 3.595 -10.329 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.064 4.973 -11.356 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.765 3.896 -10.920 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.740 3.365 -12.239 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.881 6.327 -11.944 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.419 5.582 -12.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.173 6.110 -14.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.360 4.428 -14.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.130 5.151 -13.820 1.00 0.00 H new ATOM 1135 N PHE A 76 2.407 4.591 -7.237 1.00 0.00 N ATOM 1136 CA PHE A 76 3.483 5.151 -6.377 1.00 0.00 C ATOM 1137 C PHE A 76 4.521 5.836 -7.267 1.00 0.00 C ATOM 1138 O PHE A 76 4.301 6.025 -8.448 1.00 0.00 O ATOM 1139 CB PHE A 76 4.149 4.031 -5.562 1.00 0.00 C ATOM 1140 CG PHE A 76 3.131 3.299 -4.710 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.019 2.667 -5.287 1.00 0.00 C ATOM 1142 CD2 PHE A 76 3.317 3.246 -3.324 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.100 1.988 -4.478 1.00 0.00 C ATOM 1144 CE2 PHE A 76 2.398 2.566 -2.517 1.00 0.00 C ATOM 1145 CZ PHE A 76 1.289 1.938 -3.094 1.00 0.00 C ATOM 0 H PHE A 76 2.602 3.676 -7.644 1.00 0.00 H new ATOM 0 HA PHE A 76 3.055 5.875 -5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.637 3.327 -6.236 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.926 4.453 -4.924 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.872 2.704 -6.356 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.172 3.731 -2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.244 1.502 -4.924 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.545 2.526 -1.448 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.579 1.415 -2.470 1.00 0.00 H new ATOM 1155 N ALA A 77 5.643 6.218 -6.716 1.00 0.00 N ATOM 1156 CA ALA A 77 6.688 6.899 -7.539 1.00 0.00 C ATOM 1157 C ALA A 77 6.785 6.224 -8.907 1.00 0.00 C ATOM 1158 O ALA A 77 7.060 6.857 -9.908 1.00 0.00 O ATOM 1159 CB ALA A 77 8.038 6.804 -6.828 1.00 0.00 C ATOM 0 H ALA A 77 5.882 6.088 -5.733 1.00 0.00 H new ATOM 0 HA ALA A 77 6.418 7.947 -7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.801 7.301 -7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.971 7.288 -5.854 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.306 5.756 -6.695 1.00 0.00 H new ATOM 1165 N GLY A 78 6.557 4.943 -8.958 1.00 0.00 N ATOM 1166 CA GLY A 78 6.630 4.222 -10.261 1.00 0.00 C ATOM 1167 C GLY A 78 5.771 4.947 -11.298 1.00 0.00 C ATOM 1168 O GLY A 78 4.747 5.491 -10.916 1.00 0.00 O ATOM 1169 OXT GLY A 78 6.150 4.947 -12.458 1.00 0.00 O ATOM 0 H GLY A 78 6.323 4.362 -8.153 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.664 4.171 -10.602 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.283 3.196 -10.140 1.00 0.00 H new TER 1173 GLY A 78