USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 773 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 61 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= -0.0137 (180deg=-0.158) USER MOD Single : A 8 GLN : amide:sc= -2.86! K(o=-2.9!,f=-0.29) USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= -0.0256 (180deg=-0.234) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 21 THR OG1 : rot 150:sc= 0 USER MOD Single : A 23 SER OG : rot 150:sc= -0.128 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 32 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= 1.01 K(o=1,f=-3.9!) USER MOD Single : A 43 LYS NZ :NH3+ -176:sc= 1.17 (180deg=1.06) USER MOD Single : A 45 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.7!) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= -0.0268 (180deg=-0.25) USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= -0.0496 (180deg=-0.28) USER MOD Single : A 49 HIS : no HE2:sc= 1.03 K(o=1,f=-3.2!) USER MOD Single : A 50 HIS : no HD1:sc= -0.507 X(o=-0.51,f=-0.15) USER MOD Single : A 51 SER OG : rot 56:sc=-0.00322 USER MOD Single : A 52 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 58 MET CE :methyl -139:sc= -0.0246 (180deg=-0.9) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.792 K(o=-0.79,f=-6.4!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -163:sc= 2.37 (180deg=2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -24.433 23.247 -4.793 1.00 1.00 N ATOM 2 CA PRO A 1 -25.587 23.293 -5.724 1.00 1.00 C ATOM 3 C PRO A 1 -26.027 21.877 -6.069 1.00 1.00 C ATOM 4 O PRO A 1 -25.222 20.958 -6.002 1.00 1.00 O ATOM 5 CB PRO A 1 -25.185 24.037 -6.988 1.00 1.00 C ATOM 6 CG PRO A 1 -23.701 24.079 -6.914 1.00 1.00 C ATOM 7 CD PRO A 1 -23.324 23.968 -5.450 1.00 1.00 C ATOM 0 H2 PRO A 1 -24.169 22.283 -4.592 1.00 1.00 H new ATOM 0 H3 PRO A 1 -24.670 23.683 -3.902 1.00 1.00 H new ATOM 0 HA PRO A 1 -26.418 23.814 -5.249 1.00 1.00 H new ATOM 0 HB2 PRO A 1 -25.527 23.519 -7.884 1.00 1.00 H new ATOM 0 HB3 PRO A 1 -25.613 25.039 -7.016 1.00 1.00 H new ATOM 0 HG2 PRO A 1 -23.264 23.262 -7.487 1.00 1.00 H new ATOM 0 HG3 PRO A 1 -23.320 25.007 -7.340 1.00 1.00 H new ATOM 0 HD2 PRO A 1 -22.384 23.429 -5.330 1.00 1.00 H new ATOM 0 HD3 PRO A 1 -23.185 24.955 -5.008 1.00 1.00 H new ATOM 17 N ILE A 2 -27.313 21.707 -6.370 1.00 1.00 N ATOM 18 CA ILE A 2 -27.888 20.396 -6.750 1.00 1.00 C ATOM 19 C ILE A 2 -27.971 19.401 -5.549 1.00 1.00 C ATOM 20 O ILE A 2 -29.001 18.754 -5.346 1.00 1.00 O ATOM 21 CB ILE A 2 -27.121 19.786 -7.958 1.00 1.00 C ATOM 22 CG1 ILE A 2 -27.301 20.705 -9.181 1.00 1.00 C ATOM 23 CG2 ILE A 2 -27.608 18.379 -8.267 1.00 1.00 C ATOM 24 CD1 ILE A 2 -26.580 20.235 -10.428 1.00 1.00 C ATOM 0 H ILE A 2 -27.994 22.466 -6.361 1.00 1.00 H new ATOM 0 HA ILE A 2 -28.918 20.575 -7.060 1.00 1.00 H new ATOM 0 HB ILE A 2 -26.063 19.714 -7.707 1.00 1.00 H new ATOM 0 HG12 ILE A 2 -28.365 20.791 -9.402 1.00 1.00 H new ATOM 0 HG13 ILE A 2 -26.946 21.703 -8.925 1.00 1.00 H new ATOM 0 HG21 ILE A 2 -27.053 17.980 -9.116 1.00 1.00 H new ATOM 0 HG22 ILE A 2 -27.450 17.740 -7.398 1.00 1.00 H new ATOM 0 HG23 ILE A 2 -28.670 18.407 -8.509 1.00 1.00 H new ATOM 0 HD11 ILE A 2 -26.760 20.940 -11.240 1.00 1.00 H new ATOM 0 HD12 ILE A 2 -25.510 20.176 -10.229 1.00 1.00 H new ATOM 0 HD13 ILE A 2 -26.950 19.250 -10.713 1.00 1.00 H new ATOM 36 N THR A 3 -26.856 19.294 -4.799 1.00 1.00 N ATOM 37 CA THR A 3 -26.685 18.464 -3.565 1.00 1.00 C ATOM 38 C THR A 3 -26.930 16.956 -3.753 1.00 1.00 C ATOM 39 O THR A 3 -26.066 16.141 -3.419 1.00 1.00 O ATOM 40 CB THR A 3 -27.467 19.002 -2.314 1.00 1.00 C ATOM 41 OG1 THR A 3 -27.049 18.285 -1.144 1.00 1.00 O ATOM 42 CG2 THR A 3 -29.001 18.936 -2.396 1.00 1.00 C ATOM 0 H THR A 3 -26.005 19.803 -5.038 1.00 1.00 H new ATOM 0 HA THR A 3 -25.621 18.578 -3.358 1.00 1.00 H new ATOM 0 HB THR A 3 -27.218 20.062 -2.273 1.00 1.00 H new ATOM 0 HG1 THR A 3 -27.536 18.622 -0.363 1.00 1.00 H new ATOM 0 HG21 THR A 3 -29.432 19.334 -1.477 1.00 1.00 H new ATOM 0 HG22 THR A 3 -29.346 19.527 -3.244 1.00 1.00 H new ATOM 0 HG23 THR A 3 -29.314 17.900 -2.525 1.00 1.00 H new ATOM 50 N LYS A 4 -28.058 16.568 -4.336 1.00 1.00 N ATOM 51 CA LYS A 4 -28.370 15.167 -4.505 1.00 1.00 C ATOM 52 C LYS A 4 -27.419 14.466 -5.481 1.00 1.00 C ATOM 53 O LYS A 4 -26.895 13.401 -5.175 1.00 1.00 O ATOM 54 CB LYS A 4 -29.816 15.025 -4.955 1.00 1.00 C ATOM 55 CG LYS A 4 -30.224 13.588 -5.235 1.00 1.00 C ATOM 56 CD LYS A 4 -31.729 13.443 -5.425 1.00 1.00 C ATOM 57 CE LYS A 4 -32.484 13.670 -4.123 1.00 1.00 C ATOM 58 NZ LYS A 4 -33.949 13.437 -4.279 1.00 1.00 N ATOM 0 H LYS A 4 -28.766 17.208 -4.697 1.00 1.00 H new ATOM 0 HA LYS A 4 -28.235 14.673 -3.543 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -30.470 15.437 -4.186 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -29.968 15.620 -5.856 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -29.711 13.234 -6.129 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -29.901 12.953 -4.410 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -32.072 14.157 -6.174 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -31.954 12.447 -5.807 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -32.091 13.004 -3.355 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -32.314 14.690 -3.778 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -34.426 13.602 -3.370 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -34.330 14.090 -4.993 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -34.114 12.456 -4.583 1.00 1.00 H new ATOM 72 N GLU A 5 -27.167 15.051 -6.640 1.00 1.00 N ATOM 73 CA GLU A 5 -26.261 14.406 -7.592 1.00 1.00 C ATOM 74 C GLU A 5 -24.825 14.714 -7.229 1.00 1.00 C ATOM 75 O GLU A 5 -23.885 14.119 -7.751 1.00 1.00 O ATOM 76 CB GLU A 5 -26.565 14.828 -9.015 1.00 1.00 C ATOM 77 CG GLU A 5 -27.978 14.473 -9.413 1.00 1.00 C ATOM 78 CD GLU A 5 -28.280 14.805 -10.852 1.00 1.00 C ATOM 79 OE1 GLU A 5 -28.601 15.977 -11.130 1.00 1.00 O ATOM 80 OE2 GLU A 5 -28.196 13.894 -11.700 1.00 1.00 O ATOM 0 H GLU A 5 -27.559 15.942 -6.944 1.00 1.00 H new ATOM 0 HA GLU A 5 -26.412 13.328 -7.535 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -26.418 15.903 -9.115 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -25.863 14.346 -9.695 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -28.140 13.408 -9.249 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -28.677 15.005 -8.768 1.00 1.00 H new ATOM 87 N GLU A 6 -24.668 15.609 -6.273 1.00 1.00 N ATOM 88 CA GLU A 6 -23.359 15.982 -5.806 1.00 1.00 C ATOM 89 C GLU A 6 -22.938 14.957 -4.787 1.00 1.00 C ATOM 90 O GLU A 6 -21.760 14.639 -4.618 1.00 1.00 O ATOM 91 CB GLU A 6 -23.411 17.379 -5.233 1.00 1.00 C ATOM 92 CG GLU A 6 -23.401 18.402 -6.341 1.00 1.00 C ATOM 93 CD GLU A 6 -22.190 18.220 -7.241 1.00 1.00 C ATOM 94 OE1 GLU A 6 -21.056 18.494 -6.785 1.00 1.00 O ATOM 95 OE2 GLU A 6 -22.367 17.770 -8.392 1.00 1.00 O ATOM 0 H GLU A 6 -25.438 16.089 -5.807 1.00 1.00 H new ATOM 0 HA GLU A 6 -22.626 15.999 -6.613 1.00 1.00 H new ATOM 0 HB2 GLU A 6 -24.310 17.498 -4.628 1.00 1.00 H new ATOM 0 HB3 GLU A 6 -22.559 17.540 -4.573 1.00 1.00 H new ATOM 0 HG2 GLU A 6 -24.313 18.313 -6.931 1.00 1.00 H new ATOM 0 HG3 GLU A 6 -23.394 19.405 -5.914 1.00 1.00 H new ATOM 102 N LYS A 7 -23.950 14.410 -4.132 1.00 1.00 N ATOM 103 CA LYS A 7 -23.762 13.369 -3.179 1.00 1.00 C ATOM 104 C LYS A 7 -23.394 12.094 -3.934 1.00 1.00 C ATOM 105 O LYS A 7 -22.461 11.390 -3.569 1.00 1.00 O ATOM 106 CB LYS A 7 -25.049 13.177 -2.397 1.00 1.00 C ATOM 107 CG LYS A 7 -25.022 11.953 -1.510 1.00 1.00 C ATOM 108 CD LYS A 7 -26.314 11.796 -0.738 1.00 1.00 C ATOM 109 CE LYS A 7 -26.307 10.527 0.097 1.00 1.00 C ATOM 110 NZ LYS A 7 -26.305 9.296 -0.742 1.00 1.00 N ATOM 0 H LYS A 7 -24.923 14.689 -4.259 1.00 1.00 H new ATOM 0 HA LYS A 7 -22.965 13.618 -2.479 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -25.231 14.060 -1.784 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -25.883 13.096 -3.094 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -24.851 11.065 -2.119 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -24.187 12.027 -0.813 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -26.460 12.660 -0.089 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -27.154 11.773 -1.432 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -25.429 10.525 0.743 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -27.181 10.519 0.748 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -26.521 8.470 -0.148 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -27.024 9.383 -1.488 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -25.368 9.174 -1.177 1.00 1.00 H new ATOM 124 N GLN A 8 -24.134 11.816 -5.013 1.00 1.00 N ATOM 125 CA GLN A 8 -23.854 10.648 -5.845 1.00 1.00 C ATOM 126 C GLN A 8 -22.416 10.720 -6.363 1.00 1.00 C ATOM 127 O GLN A 8 -21.688 9.732 -6.354 1.00 1.00 O ATOM 128 CB GLN A 8 -24.834 10.567 -7.018 1.00 1.00 C ATOM 129 CG GLN A 8 -26.271 10.325 -6.589 1.00 1.00 C ATOM 130 CD GLN A 8 -27.213 10.188 -7.767 1.00 1.00 C ATOM 131 OE1 GLN A 8 -27.417 9.102 -8.291 1.00 1.00 O ATOM 132 NE2 GLN A 8 -27.795 11.291 -8.190 1.00 1.00 N ATOM 0 H GLN A 8 -24.924 12.380 -5.326 1.00 1.00 H new ATOM 0 HA GLN A 8 -23.976 9.750 -5.239 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -24.784 11.495 -7.588 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -24.523 9.765 -7.687 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -26.318 9.420 -5.983 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -26.602 11.149 -5.957 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -27.601 12.179 -7.728 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -28.440 11.257 -8.979 1.00 1.00 H new ATOM 141 N LYS A 9 -22.021 11.915 -6.792 1.00 1.00 N ATOM 142 CA LYS A 9 -20.670 12.176 -7.280 1.00 1.00 C ATOM 143 C LYS A 9 -19.629 11.934 -6.166 1.00 1.00 C ATOM 144 O LYS A 9 -18.519 11.473 -6.430 1.00 1.00 O ATOM 145 CB LYS A 9 -20.622 13.621 -7.796 1.00 1.00 C ATOM 146 CG LYS A 9 -19.254 14.141 -8.200 1.00 1.00 C ATOM 147 CD LYS A 9 -19.392 15.503 -8.868 1.00 1.00 C ATOM 148 CE LYS A 9 -18.053 16.195 -9.056 1.00 1.00 C ATOM 149 NZ LYS A 9 -17.426 16.560 -7.758 1.00 1.00 N ATOM 0 H LYS A 9 -22.631 12.733 -6.811 1.00 1.00 H new ATOM 0 HA LYS A 9 -20.422 11.493 -8.092 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -21.287 13.700 -8.656 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -21.023 14.275 -7.022 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -18.612 14.220 -7.323 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -18.776 13.439 -8.883 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -19.874 15.382 -9.838 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -20.043 16.136 -8.265 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -17.382 15.540 -9.611 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -18.191 17.094 -9.657 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -16.658 17.242 -7.923 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -18.141 16.988 -7.135 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -17.040 15.706 -7.307 1.00 1.00 H new ATOM 163 N VAL A 10 -20.001 12.236 -4.917 1.00 1.00 N ATOM 164 CA VAL A 10 -19.102 12.017 -3.773 1.00 1.00 C ATOM 165 C VAL A 10 -18.847 10.522 -3.551 1.00 1.00 C ATOM 166 O VAL A 10 -17.717 10.108 -3.367 1.00 1.00 O ATOM 167 CB VAL A 10 -19.641 12.652 -2.462 1.00 1.00 C ATOM 168 CG1 VAL A 10 -18.844 12.192 -1.243 1.00 1.00 C ATOM 169 CG2 VAL A 10 -19.592 14.166 -2.556 1.00 1.00 C ATOM 0 H VAL A 10 -20.909 12.629 -4.671 1.00 1.00 H new ATOM 0 HA VAL A 10 -18.164 12.512 -4.024 1.00 1.00 H new ATOM 0 HB VAL A 10 -20.673 12.323 -2.338 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -19.251 12.658 -0.345 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -18.912 11.108 -1.152 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -17.800 12.482 -1.360 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -19.972 14.600 -1.631 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -18.562 14.488 -2.712 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -20.206 14.499 -3.393 1.00 1.00 H new ATOM 179 N ILE A 11 -19.888 9.705 -3.593 1.00 1.00 N ATOM 180 CA ILE A 11 -19.696 8.268 -3.392 1.00 1.00 C ATOM 181 C ILE A 11 -19.137 7.595 -4.630 1.00 1.00 C ATOM 182 O ILE A 11 -18.656 6.454 -4.600 1.00 1.00 O ATOM 183 CB ILE A 11 -20.955 7.533 -2.966 1.00 1.00 C ATOM 184 CG1 ILE A 11 -22.120 8.468 -2.603 1.00 1.00 C ATOM 185 CG2 ILE A 11 -20.546 6.722 -1.771 1.00 1.00 C ATOM 186 CD1 ILE A 11 -21.846 9.348 -1.393 1.00 1.00 C ATOM 0 H ILE A 11 -20.851 9.996 -3.759 1.00 1.00 H new ATOM 0 HA ILE A 11 -18.978 8.203 -2.574 1.00 1.00 H new ATOM 0 HB ILE A 11 -21.332 6.928 -3.791 1.00 1.00 H new ATOM 0 HG12 ILE A 11 -22.344 9.104 -3.460 1.00 1.00 H new ATOM 0 HG13 ILE A 11 -23.009 7.868 -2.410 1.00 1.00 H new ATOM 0 HG21 ILE A 11 -21.404 6.159 -1.402 1.00 1.00 H new ATOM 0 HG22 ILE A 11 -19.753 6.030 -2.055 1.00 1.00 H new ATOM 0 HG23 ILE A 11 -20.184 7.387 -0.987 1.00 1.00 H new ATOM 0 HD11 ILE A 11 -22.713 9.980 -1.199 1.00 1.00 H new ATOM 0 HD12 ILE A 11 -21.652 8.720 -0.523 1.00 1.00 H new ATOM 0 HD13 ILE A 11 -20.977 9.976 -1.589 1.00 1.00 H new ATOM 198 N GLN A 12 -19.230 8.308 -5.716 1.00 1.00 N ATOM 199 CA GLN A 12 -18.740 7.863 -6.987 1.00 1.00 C ATOM 200 C GLN A 12 -17.212 7.954 -7.063 1.00 1.00 C ATOM 201 O GLN A 12 -16.522 6.941 -7.109 1.00 1.00 O ATOM 202 CB GLN A 12 -19.377 8.748 -8.043 1.00 1.00 C ATOM 203 CG GLN A 12 -18.920 8.466 -9.455 1.00 1.00 C ATOM 204 CD GLN A 12 -19.506 9.455 -10.437 1.00 1.00 C ATOM 205 OE1 GLN A 12 -18.941 10.508 -10.689 1.00 1.00 O ATOM 206 NE2 GLN A 12 -20.660 9.138 -10.983 1.00 1.00 N ATOM 0 H GLN A 12 -19.658 9.234 -5.742 1.00 1.00 H new ATOM 0 HA GLN A 12 -18.999 6.816 -7.143 1.00 1.00 H new ATOM 0 HB2 GLN A 12 -20.459 8.629 -7.994 1.00 1.00 H new ATOM 0 HB3 GLN A 12 -19.160 9.789 -7.805 1.00 1.00 H new ATOM 0 HG2 GLN A 12 -17.832 8.508 -9.501 1.00 1.00 H new ATOM 0 HG3 GLN A 12 -19.212 7.455 -9.738 1.00 1.00 H new ATOM 0 HE21 GLN A 12 -21.107 8.251 -10.752 1.00 1.00 H new ATOM 0 HE22 GLN A 12 -21.108 9.780 -11.637 1.00 1.00 H new ATOM 215 N GLU A 13 -16.703 9.175 -7.011 1.00 1.00 N ATOM 216 CA GLU A 13 -15.258 9.433 -7.115 1.00 1.00 C ATOM 217 C GLU A 13 -14.597 9.469 -5.750 1.00 1.00 C ATOM 218 O GLU A 13 -13.368 9.453 -5.617 1.00 1.00 O ATOM 219 CB GLU A 13 -15.057 10.802 -7.764 1.00 1.00 C ATOM 220 CG GLU A 13 -15.386 10.842 -9.240 1.00 1.00 C ATOM 221 CD GLU A 13 -14.395 10.050 -10.058 1.00 1.00 C ATOM 222 OE1 GLU A 13 -13.293 10.580 -10.326 1.00 1.00 O ATOM 223 OE2 GLU A 13 -14.707 8.896 -10.417 1.00 1.00 O ATOM 0 H GLU A 13 -17.268 10.017 -6.896 1.00 1.00 H new ATOM 0 HA GLU A 13 -14.811 8.631 -7.703 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -15.677 11.533 -7.245 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -14.020 11.109 -7.626 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -16.388 10.445 -9.400 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -15.395 11.877 -9.582 1.00 1.00 H new ATOM 230 N PHE A 14 -15.448 9.439 -4.758 1.00 1.00 N ATOM 231 CA PHE A 14 -15.065 9.589 -3.349 1.00 1.00 C ATOM 232 C PHE A 14 -14.367 10.916 -3.085 1.00 1.00 C ATOM 233 O PHE A 14 -13.490 11.363 -3.828 1.00 1.00 O ATOM 234 CB PHE A 14 -14.275 8.401 -2.830 1.00 1.00 C ATOM 235 CG PHE A 14 -15.184 7.230 -2.680 1.00 1.00 C ATOM 236 CD1 PHE A 14 -16.200 7.239 -1.726 1.00 1.00 C ATOM 237 CD2 PHE A 14 -15.051 6.139 -3.499 1.00 1.00 C ATOM 238 CE1 PHE A 14 -17.051 6.163 -1.597 1.00 1.00 C ATOM 239 CE2 PHE A 14 -15.897 5.059 -3.376 1.00 1.00 C ATOM 240 CZ PHE A 14 -16.899 5.070 -2.425 1.00 1.00 C ATOM 0 H PHE A 14 -16.450 9.308 -4.893 1.00 1.00 H new ATOM 0 HA PHE A 14 -15.992 9.606 -2.775 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -13.465 8.161 -3.518 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -13.817 8.645 -1.871 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -16.321 8.097 -1.082 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -14.274 6.126 -4.249 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -17.833 6.175 -0.852 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -15.777 4.203 -4.023 1.00 1.00 H new ATOM 0 HZ PHE A 14 -17.563 4.224 -2.330 1.00 1.00 H new ATOM 250 N ALA A 15 -14.782 11.555 -2.015 1.00 1.00 N ATOM 251 CA ALA A 15 -14.231 12.846 -1.641 1.00 1.00 C ATOM 252 C ALA A 15 -12.792 12.710 -1.141 1.00 1.00 C ATOM 253 O ALA A 15 -12.025 13.666 -1.151 1.00 1.00 O ATOM 254 CB ALA A 15 -15.096 13.476 -0.561 1.00 1.00 C ATOM 0 H ALA A 15 -15.502 11.204 -1.384 1.00 1.00 H new ATOM 0 HA ALA A 15 -14.223 13.484 -2.525 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -14.681 14.444 -0.282 1.00 1.00 H new ATOM 0 HB2 ALA A 15 -16.109 13.611 -0.939 1.00 1.00 H new ATOM 0 HB3 ALA A 15 -15.118 12.825 0.313 1.00 1.00 H new ATOM 260 N ARG A 16 -12.442 11.480 -0.773 1.00 1.00 N ATOM 261 CA ARG A 16 -11.142 11.140 -0.188 1.00 1.00 C ATOM 262 C ARG A 16 -10.865 11.998 1.043 1.00 1.00 C ATOM 263 O ARG A 16 -9.879 12.727 1.139 1.00 1.00 O ATOM 264 CB ARG A 16 -9.960 11.161 -1.170 1.00 1.00 C ATOM 265 CG ARG A 16 -9.946 9.977 -2.139 1.00 1.00 C ATOM 266 CD ARG A 16 -10.686 10.284 -3.442 1.00 1.00 C ATOM 267 NE ARG A 16 -9.916 11.175 -4.325 1.00 1.00 N ATOM 268 CZ ARG A 16 -10.364 11.715 -5.438 1.00 1.00 C ATOM 269 NH1 ARG A 16 -11.608 11.626 -5.780 1.00 1.00 N ATOM 270 NH2 ARG A 16 -9.555 12.394 -6.186 1.00 1.00 N ATOM 0 H ARG A 16 -13.062 10.676 -0.873 1.00 1.00 H new ATOM 0 HA ARG A 16 -11.224 10.095 0.111 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -9.991 12.088 -1.743 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -9.029 11.167 -0.604 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -8.914 9.707 -2.365 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -10.404 9.112 -1.659 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -10.898 9.352 -3.965 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -11.646 10.745 -3.212 1.00 1.00 H new ATOM 0 HE ARG A 16 -8.957 11.391 -4.052 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -12.267 11.128 -5.181 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -11.930 12.054 -6.648 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -8.579 12.507 -5.911 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -9.893 12.816 -7.051 1.00 1.00 H new ATOM 284 N PHE A 17 -11.807 11.922 1.955 1.00 1.00 N ATOM 285 CA PHE A 17 -11.731 12.586 3.240 1.00 1.00 C ATOM 286 C PHE A 17 -12.234 11.590 4.276 1.00 1.00 C ATOM 287 O PHE A 17 -13.075 10.750 3.957 1.00 1.00 O ATOM 288 CB PHE A 17 -12.590 13.860 3.311 1.00 1.00 C ATOM 289 CG PHE A 17 -12.111 15.005 2.461 1.00 1.00 C ATOM 290 CD1 PHE A 17 -10.900 15.631 2.720 1.00 1.00 C ATOM 291 CD2 PHE A 17 -12.892 15.476 1.419 1.00 1.00 C ATOM 292 CE1 PHE A 17 -10.475 16.693 1.945 1.00 1.00 C ATOM 293 CE2 PHE A 17 -12.472 16.535 0.640 1.00 1.00 C ATOM 294 CZ PHE A 17 -11.265 17.149 0.907 1.00 1.00 C ATOM 0 H PHE A 17 -12.665 11.387 1.824 1.00 1.00 H new ATOM 0 HA PHE A 17 -10.701 12.897 3.416 1.00 1.00 H new ATOM 0 HB2 PHE A 17 -13.608 13.609 3.014 1.00 1.00 H new ATOM 0 HB3 PHE A 17 -12.633 14.192 4.348 1.00 1.00 H new ATOM 0 HD1 PHE A 17 -10.283 15.284 3.536 1.00 1.00 H new ATOM 0 HD2 PHE A 17 -13.843 15.008 1.213 1.00 1.00 H new ATOM 0 HE1 PHE A 17 -9.526 17.166 2.150 1.00 1.00 H new ATOM 0 HE2 PHE A 17 -13.087 16.883 -0.177 1.00 1.00 H new ATOM 0 HZ PHE A 17 -10.939 17.985 0.306 1.00 1.00 H new ATOM 304 N PRO A 18 -11.724 11.628 5.506 1.00 1.00 N ATOM 305 CA PRO A 18 -12.177 10.713 6.567 1.00 1.00 C ATOM 306 C PRO A 18 -13.695 10.748 6.758 1.00 1.00 C ATOM 307 O PRO A 18 -14.306 9.787 7.216 1.00 1.00 O ATOM 308 CB PRO A 18 -11.479 11.255 7.809 1.00 1.00 C ATOM 309 CG PRO A 18 -10.258 11.928 7.286 1.00 1.00 C ATOM 310 CD PRO A 18 -10.650 12.520 5.960 1.00 1.00 C ATOM 0 HA PRO A 18 -11.942 9.673 6.339 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -12.117 11.954 8.350 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -11.224 10.454 8.503 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -9.914 12.701 7.973 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -9.440 11.217 7.170 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -10.996 13.548 6.063 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -9.814 12.534 5.261 1.00 1.00 H new ATOM 318 N GLY A 19 -14.296 11.870 6.399 1.00 1.00 N ATOM 319 CA GLY A 19 -15.723 12.007 6.527 1.00 1.00 C ATOM 320 C GLY A 19 -16.404 12.359 5.208 1.00 1.00 C ATOM 321 O GLY A 19 -17.288 13.205 5.185 1.00 1.00 O ATOM 0 H GLY A 19 -13.817 12.687 6.021 1.00 1.00 H new ATOM 0 HA2 GLY A 19 -16.140 11.075 6.909 1.00 1.00 H new ATOM 0 HA3 GLY A 19 -15.945 12.780 7.263 1.00 1.00 H new ATOM 325 N ASP A 20 -15.974 11.742 4.103 1.00 1.00 N ATOM 326 CA ASP A 20 -16.611 12.002 2.795 1.00 1.00 C ATOM 327 C ASP A 20 -18.075 11.589 2.913 1.00 1.00 C ATOM 328 O ASP A 20 -19.028 12.340 2.671 1.00 1.00 O ATOM 329 CB ASP A 20 -15.897 11.205 1.672 1.00 1.00 C ATOM 330 CG ASP A 20 -16.057 9.684 1.712 1.00 1.00 C ATOM 331 OD1 ASP A 20 -15.918 9.086 2.801 1.00 1.00 O ATOM 332 OD2 ASP A 20 -16.322 9.093 0.648 1.00 1.00 O ATOM 0 H ASP A 20 -15.205 11.072 4.079 1.00 1.00 H new ATOM 0 HA ASP A 20 -16.536 13.057 2.533 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -16.267 11.563 0.711 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -14.833 11.438 1.711 1.00 1.00 H new ATOM 337 N THR A 21 -18.177 10.354 3.289 1.00 1.00 N ATOM 338 CA THR A 21 -19.362 9.661 3.591 1.00 1.00 C ATOM 339 C THR A 21 -18.947 8.800 4.763 1.00 1.00 C ATOM 340 O THR A 21 -19.746 8.125 5.400 1.00 1.00 O ATOM 341 CB THR A 21 -19.755 8.745 2.417 1.00 1.00 C ATOM 342 OG1 THR A 21 -19.622 9.432 1.161 1.00 1.00 O ATOM 343 CG2 THR A 21 -21.163 8.224 2.570 1.00 1.00 C ATOM 0 H THR A 21 -17.352 9.764 3.398 1.00 1.00 H new ATOM 0 HA THR A 21 -20.208 10.319 3.789 1.00 1.00 H new ATOM 0 HB THR A 21 -19.072 7.896 2.429 1.00 1.00 H new ATOM 0 HG1 THR A 21 -19.400 8.787 0.457 1.00 1.00 H new ATOM 0 HG21 THR A 21 -21.407 7.581 1.724 1.00 1.00 H new ATOM 0 HG22 THR A 21 -21.241 7.652 3.495 1.00 1.00 H new ATOM 0 HG23 THR A 21 -21.860 9.062 2.602 1.00 1.00 H new ATOM 351 N GLY A 22 -17.642 8.941 5.077 1.00 1.00 N ATOM 352 CA GLY A 22 -17.003 8.110 6.061 1.00 1.00 C ATOM 353 C GLY A 22 -17.083 6.687 5.560 1.00 1.00 C ATOM 354 O GLY A 22 -17.397 5.760 6.292 1.00 1.00 O ATOM 0 H GLY A 22 -17.027 9.632 4.649 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -15.965 8.410 6.203 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -17.498 8.207 7.027 1.00 1.00 H new ATOM 358 N SER A 23 -16.791 6.531 4.274 1.00 1.00 N ATOM 359 CA SER A 23 -16.917 5.240 3.605 1.00 1.00 C ATOM 360 C SER A 23 -15.725 4.312 3.835 1.00 1.00 C ATOM 361 O SER A 23 -14.635 4.736 4.198 1.00 1.00 O ATOM 362 CB SER A 23 -17.105 5.469 2.093 1.00 1.00 C ATOM 363 OG SER A 23 -17.267 4.245 1.388 1.00 1.00 O ATOM 0 H SER A 23 -16.464 7.286 3.671 1.00 1.00 H new ATOM 0 HA SER A 23 -17.785 4.744 4.039 1.00 1.00 H new ATOM 0 HB2 SER A 23 -17.977 6.102 1.927 1.00 1.00 H new ATOM 0 HB3 SER A 23 -16.242 6.005 1.697 1.00 1.00 H new ATOM 0 HG SER A 23 -17.831 4.393 0.601 1.00 1.00 H new ATOM 369 N THR A 24 -15.966 3.023 3.678 1.00 1.00 N ATOM 370 CA THR A 24 -14.899 2.032 3.771 1.00 1.00 C ATOM 371 C THR A 24 -14.182 2.024 2.428 1.00 1.00 C ATOM 372 O THR A 24 -12.965 1.879 2.331 1.00 1.00 O ATOM 373 CB THR A 24 -15.463 0.626 4.074 1.00 1.00 C ATOM 374 OG1 THR A 24 -16.246 0.672 5.272 1.00 1.00 O ATOM 375 CG2 THR A 24 -14.365 -0.417 4.231 1.00 1.00 C ATOM 0 H THR A 24 -16.889 2.634 3.486 1.00 1.00 H new ATOM 0 HA THR A 24 -14.220 2.288 4.585 1.00 1.00 H new ATOM 0 HB THR A 24 -16.079 0.332 3.224 1.00 1.00 H new ATOM 0 HG1 THR A 24 -16.605 -0.220 5.463 1.00 1.00 H new ATOM 0 HG21 THR A 24 -14.813 -1.388 4.443 1.00 1.00 H new ATOM 0 HG22 THR A 24 -13.786 -0.478 3.309 1.00 1.00 H new ATOM 0 HG23 THR A 24 -13.708 -0.133 5.053 1.00 1.00 H new ATOM 383 N GLU A 25 -14.977 2.284 1.400 1.00 1.00 N ATOM 384 CA GLU A 25 -14.513 2.338 0.022 1.00 1.00 C ATOM 385 C GLU A 25 -13.510 3.485 -0.169 1.00 1.00 C ATOM 386 O GLU A 25 -12.442 3.300 -0.753 1.00 1.00 O ATOM 387 CB GLU A 25 -15.715 2.560 -0.891 1.00 1.00 C ATOM 388 CG GLU A 25 -16.771 1.471 -0.829 1.00 1.00 C ATOM 389 CD GLU A 25 -18.040 1.878 -1.558 1.00 1.00 C ATOM 390 OE1 GLU A 25 -18.029 1.932 -2.809 1.00 1.00 O ATOM 391 OE2 GLU A 25 -19.046 2.174 -0.884 1.00 1.00 O ATOM 0 H GLU A 25 -15.976 2.466 1.501 1.00 1.00 H new ATOM 0 HA GLU A 25 -14.016 1.400 -0.224 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -16.179 3.512 -0.632 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -15.362 2.646 -1.919 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -16.376 0.555 -1.269 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -17.005 1.249 0.212 1.00 1.00 H new ATOM 398 N VAL A 26 -13.871 4.672 0.337 1.00 1.00 N ATOM 399 CA VAL A 26 -13.005 5.859 0.251 1.00 1.00 C ATOM 400 C VAL A 26 -11.664 5.610 0.920 1.00 1.00 C ATOM 401 O VAL A 26 -10.633 6.127 0.497 1.00 1.00 O ATOM 402 CB VAL A 26 -13.638 7.104 0.931 1.00 1.00 C ATOM 403 CG1 VAL A 26 -13.702 6.941 2.447 1.00 1.00 C ATOM 404 CG2 VAL A 26 -12.845 8.358 0.606 1.00 1.00 C ATOM 0 H VAL A 26 -14.759 4.837 0.811 1.00 1.00 H new ATOM 0 HA VAL A 26 -12.876 6.051 -0.814 1.00 1.00 H new ATOM 0 HB VAL A 26 -14.651 7.198 0.541 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -14.150 7.830 2.890 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -14.307 6.068 2.694 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -12.695 6.808 2.841 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -13.307 9.217 1.093 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -11.822 8.245 0.964 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -12.836 8.514 -0.473 1.00 1.00 H new ATOM 414 N GLN A 27 -11.681 4.773 1.935 1.00 1.00 N ATOM 415 CA GLN A 27 -10.485 4.491 2.697 1.00 1.00 C ATOM 416 C GLN A 27 -9.557 3.561 1.927 1.00 1.00 C ATOM 417 O GLN A 27 -8.340 3.708 1.969 1.00 1.00 O ATOM 418 CB GLN A 27 -10.862 3.927 4.052 1.00 1.00 C ATOM 419 CG GLN A 27 -9.675 3.714 4.964 1.00 1.00 C ATOM 420 CD GLN A 27 -10.082 3.220 6.329 1.00 1.00 C ATOM 421 OE1 GLN A 27 -11.062 2.507 6.482 1.00 1.00 O ATOM 422 NE2 GLN A 27 -9.336 3.604 7.338 1.00 1.00 N ATOM 0 H GLN A 27 -12.513 4.275 2.252 1.00 1.00 H new ATOM 0 HA GLN A 27 -9.936 5.418 2.860 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -11.566 4.604 4.536 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -11.378 2.977 3.911 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -8.994 2.995 4.508 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -9.127 4.650 5.068 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -8.524 4.200 7.174 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -9.568 3.307 8.286 1.00 1.00 H new ATOM 431 N VAL A 28 -10.133 2.605 1.219 1.00 1.00 N ATOM 432 CA VAL A 28 -9.338 1.723 0.390 1.00 1.00 C ATOM 433 C VAL A 28 -8.819 2.534 -0.793 1.00 1.00 C ATOM 434 O VAL A 28 -7.731 2.293 -1.316 1.00 1.00 O ATOM 435 CB VAL A 28 -10.145 0.510 -0.090 1.00 1.00 C ATOM 436 CG1 VAL A 28 -9.288 -0.430 -0.929 1.00 1.00 C ATOM 437 CG2 VAL A 28 -10.739 -0.221 1.105 1.00 1.00 C ATOM 0 H VAL A 28 -11.136 2.423 1.202 1.00 1.00 H new ATOM 0 HA VAL A 28 -8.507 1.327 0.974 1.00 1.00 H new ATOM 0 HB VAL A 28 -10.956 0.866 -0.726 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -9.890 -1.279 -1.253 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -8.912 0.103 -1.802 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -8.449 -0.787 -0.332 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -11.311 -1.081 0.758 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -9.936 -0.559 1.760 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -11.396 0.453 1.654 1.00 1.00 H new ATOM 447 N ALA A 29 -9.603 3.531 -1.191 1.00 1.00 N ATOM 448 CA ALA A 29 -9.196 4.426 -2.258 1.00 1.00 C ATOM 449 C ALA A 29 -7.998 5.248 -1.788 1.00 1.00 C ATOM 450 O ALA A 29 -7.016 5.411 -2.508 1.00 1.00 O ATOM 451 CB ALA A 29 -10.340 5.336 -2.677 1.00 1.00 C ATOM 0 H ALA A 29 -10.518 3.735 -0.790 1.00 1.00 H new ATOM 0 HA ALA A 29 -8.914 3.836 -3.130 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -10.006 5.995 -3.478 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -11.175 4.731 -3.030 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -10.660 5.934 -1.824 1.00 1.00 H new ATOM 457 N LEU A 30 -8.059 5.729 -0.552 1.00 1.00 N ATOM 458 CA LEU A 30 -6.954 6.509 -0.009 1.00 1.00 C ATOM 459 C LEU A 30 -5.791 5.585 0.394 1.00 1.00 C ATOM 460 O LEU A 30 -4.636 6.000 0.411 1.00 1.00 O ATOM 461 CB LEU A 30 -7.418 7.426 1.145 1.00 1.00 C ATOM 462 CG LEU A 30 -7.769 6.767 2.494 1.00 1.00 C ATOM 463 CD1 LEU A 30 -6.528 6.531 3.352 1.00 1.00 C ATOM 464 CD2 LEU A 30 -8.772 7.636 3.249 1.00 1.00 C ATOM 0 H LEU A 30 -8.846 5.596 0.083 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.583 7.174 -0.789 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.632 8.160 1.326 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -8.295 7.976 0.803 1.00 1.00 H new ATOM 0 HG LEU A 30 -8.212 5.794 2.284 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -6.820 6.065 4.293 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -5.838 5.875 2.821 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -6.039 7.484 3.555 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -9.016 7.166 4.201 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -8.337 8.619 3.431 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -9.679 7.745 2.655 1.00 1.00 H new ATOM 476 N LEU A 31 -6.095 4.322 0.683 1.00 1.00 N ATOM 477 CA LEU A 31 -5.064 3.355 1.031 1.00 1.00 C ATOM 478 C LEU A 31 -4.278 2.997 -0.244 1.00 1.00 C ATOM 479 O LEU A 31 -3.051 2.902 -0.237 1.00 1.00 O ATOM 480 CB LEU A 31 -5.689 2.148 1.778 1.00 1.00 C ATOM 481 CG LEU A 31 -6.099 0.866 0.989 1.00 1.00 C ATOM 482 CD1 LEU A 31 -4.909 0.090 0.448 1.00 1.00 C ATOM 483 CD2 LEU A 31 -6.918 -0.035 1.903 1.00 1.00 C ATOM 0 H LEU A 31 -7.044 3.948 0.682 1.00 1.00 H new ATOM 0 HA LEU A 31 -4.342 3.771 1.734 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -4.980 1.842 2.548 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -6.580 2.511 2.291 1.00 1.00 H new ATOM 0 HG LEU A 31 -6.683 1.188 0.127 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -5.262 -0.790 -0.090 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -4.338 0.725 -0.230 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -4.272 -0.223 1.275 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -7.210 -0.934 1.361 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -6.320 -0.312 2.771 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -7.811 0.496 2.232 1.00 1.00 H new ATOM 495 N THR A 32 -4.996 2.866 -1.355 1.00 1.00 N ATOM 496 CA THR A 32 -4.370 2.592 -2.648 1.00 1.00 C ATOM 497 C THR A 32 -3.561 3.824 -3.086 1.00 1.00 C ATOM 498 O THR A 32 -2.447 3.702 -3.596 1.00 1.00 O ATOM 499 CB THR A 32 -5.426 2.222 -3.710 1.00 1.00 C ATOM 500 OG1 THR A 32 -6.221 1.125 -3.233 1.00 1.00 O ATOM 501 CG2 THR A 32 -4.780 1.830 -5.028 1.00 1.00 C ATOM 0 H THR A 32 -6.012 2.945 -1.388 1.00 1.00 H new ATOM 0 HA THR A 32 -3.701 1.738 -2.546 1.00 1.00 H new ATOM 0 HB THR A 32 -6.050 3.099 -3.882 1.00 1.00 H new ATOM 0 HG1 THR A 32 -6.923 1.464 -2.639 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.555 1.576 -5.752 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.190 2.665 -5.406 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.131 0.968 -4.873 1.00 1.00 H new ATOM 509 N LEU A 33 -4.125 5.017 -2.859 1.00 1.00 N ATOM 510 CA LEU A 33 -3.432 6.277 -3.161 1.00 1.00 C ATOM 511 C LEU A 33 -2.187 6.391 -2.278 1.00 1.00 C ATOM 512 O LEU A 33 -1.156 6.933 -2.681 1.00 1.00 O ATOM 513 CB LEU A 33 -4.360 7.473 -2.909 1.00 1.00 C ATOM 514 CG LEU A 33 -3.760 8.860 -3.185 1.00 1.00 C ATOM 515 CD1 LEU A 33 -3.422 9.029 -4.661 1.00 1.00 C ATOM 516 CD2 LEU A 33 -4.723 9.950 -2.731 1.00 1.00 C ATOM 0 H LEU A 33 -5.059 5.137 -2.467 1.00 1.00 H new ATOM 0 HA LEU A 33 -3.140 6.281 -4.211 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -5.250 7.354 -3.528 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -4.688 7.441 -1.870 1.00 1.00 H new ATOM 0 HG LEU A 33 -2.834 8.949 -2.617 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -2.999 10.020 -4.826 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -2.697 8.271 -4.957 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -4.328 8.917 -5.257 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -4.286 10.928 -2.932 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -5.663 9.854 -3.274 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -4.909 9.849 -1.662 1.00 1.00 H new ATOM 528 N ARG A 34 -2.293 5.878 -1.059 1.00 1.00 N ATOM 529 CA ARG A 34 -1.169 5.880 -0.139 1.00 1.00 C ATOM 530 C ARG A 34 -0.075 4.952 -0.674 1.00 1.00 C ATOM 531 O ARG A 34 1.071 5.363 -0.796 1.00 1.00 O ATOM 532 CB ARG A 34 -1.609 5.458 1.262 1.00 1.00 C ATOM 533 CG ARG A 34 -0.477 5.376 2.270 1.00 1.00 C ATOM 534 CD ARG A 34 -1.020 5.143 3.681 1.00 1.00 C ATOM 535 NE ARG A 34 -1.740 6.319 4.210 1.00 1.00 N ATOM 536 CZ ARG A 34 -2.522 6.303 5.269 1.00 1.00 C ATOM 537 NH1 ARG A 34 -2.749 5.207 5.905 1.00 1.00 N ATOM 538 NH2 ARG A 34 -3.087 7.397 5.670 1.00 1.00 N ATOM 0 H ARG A 34 -3.144 5.457 -0.687 1.00 1.00 H new ATOM 0 HA ARG A 34 -0.771 6.892 -0.064 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -2.354 6.166 1.626 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -2.097 4.485 1.200 1.00 1.00 H new ATOM 0 HG2 ARG A 34 0.200 4.566 1.998 1.00 1.00 H new ATOM 0 HG3 ARG A 34 0.104 6.298 2.247 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -1.691 4.284 3.672 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -0.195 4.896 4.348 1.00 1.00 H new ATOM 0 HE ARG A 34 -1.623 7.206 3.720 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -2.321 4.336 5.590 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -3.357 5.209 6.724 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -2.926 8.269 5.166 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -3.693 7.387 6.490 1.00 1.00 H new ATOM 552 N ILE A 35 -0.441 3.709 -1.024 1.00 1.00 N ATOM 553 CA ILE A 35 0.539 2.766 -1.591 1.00 1.00 C ATOM 554 C ILE A 35 1.191 3.401 -2.818 1.00 1.00 C ATOM 555 O ILE A 35 2.410 3.388 -2.974 1.00 1.00 O ATOM 556 CB ILE A 35 -0.098 1.422 -2.020 1.00 1.00 C ATOM 557 CG1 ILE A 35 -0.831 0.766 -0.851 1.00 1.00 C ATOM 558 CG2 ILE A 35 0.976 0.486 -2.563 1.00 1.00 C ATOM 559 CD1 ILE A 35 -1.519 -0.534 -1.213 1.00 1.00 C ATOM 0 H ILE A 35 -1.386 3.338 -0.928 1.00 1.00 H new ATOM 0 HA ILE A 35 1.269 2.555 -0.810 1.00 1.00 H new ATOM 0 HB ILE A 35 -0.826 1.622 -2.806 1.00 1.00 H new ATOM 0 HG12 ILE A 35 -0.119 0.578 -0.047 1.00 1.00 H new ATOM 0 HG13 ILE A 35 -1.573 1.463 -0.462 1.00 1.00 H new ATOM 0 HG21 ILE A 35 0.519 -0.457 -2.862 1.00 1.00 H new ATOM 0 HG22 ILE A 35 1.457 0.946 -3.426 1.00 1.00 H new ATOM 0 HG23 ILE A 35 1.721 0.299 -1.789 1.00 1.00 H new ATOM 0 HD11 ILE A 35 -2.017 -0.940 -0.332 1.00 1.00 H new ATOM 0 HD12 ILE A 35 -2.256 -0.350 -1.995 1.00 1.00 H new ATOM 0 HD13 ILE A 35 -0.779 -1.249 -1.573 1.00 1.00 H new ATOM 571 N ASN A 36 0.341 3.972 -3.666 1.00 1.00 N ATOM 572 CA ASN A 36 0.756 4.665 -4.885 1.00 1.00 C ATOM 573 C ASN A 36 1.854 5.700 -4.620 1.00 1.00 C ATOM 574 O ASN A 36 2.932 5.634 -5.198 1.00 1.00 O ATOM 575 CB ASN A 36 -0.469 5.370 -5.487 1.00 1.00 C ATOM 576 CG ASN A 36 -0.150 6.268 -6.665 1.00 1.00 C ATOM 577 OD1 ASN A 36 0.117 7.452 -6.506 1.00 1.00 O ATOM 578 ND2 ASN A 36 -0.217 5.724 -7.860 1.00 1.00 N ATOM 0 H ASN A 36 -0.669 3.967 -3.526 1.00 1.00 H new ATOM 0 HA ASN A 36 1.164 3.925 -5.573 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -1.189 4.616 -5.804 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -0.950 5.965 -4.711 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -0.044 6.292 -8.689 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -0.442 4.734 -7.958 1.00 1.00 H new ATOM 585 N ARG A 37 1.605 6.615 -3.695 1.00 1.00 N ATOM 586 CA ARG A 37 2.572 7.676 -3.425 1.00 1.00 C ATOM 587 C ARG A 37 3.729 7.173 -2.565 1.00 1.00 C ATOM 588 O ARG A 37 4.866 7.613 -2.723 1.00 1.00 O ATOM 589 CB ARG A 37 1.876 8.880 -2.784 1.00 1.00 C ATOM 590 CG ARG A 37 0.829 9.474 -3.713 1.00 1.00 C ATOM 591 CD ARG A 37 0.242 10.800 -3.213 1.00 1.00 C ATOM 592 NE ARG A 37 -0.501 10.685 -1.944 1.00 1.00 N ATOM 593 CZ ARG A 37 -1.170 11.674 -1.385 1.00 1.00 C ATOM 594 NH1 ARG A 37 -1.268 12.821 -1.977 1.00 1.00 N ATOM 595 NH2 ARG A 37 -1.757 11.503 -0.245 1.00 1.00 N ATOM 0 H ARG A 37 0.759 6.648 -3.126 1.00 1.00 H new ATOM 0 HA ARG A 37 3.000 7.997 -4.375 1.00 1.00 H new ATOM 0 HB2 ARG A 37 1.405 8.575 -1.850 1.00 1.00 H new ATOM 0 HB3 ARG A 37 2.616 9.640 -2.534 1.00 1.00 H new ATOM 0 HG2 ARG A 37 1.275 9.632 -4.695 1.00 1.00 H new ATOM 0 HG3 ARG A 37 0.020 8.755 -3.842 1.00 1.00 H new ATOM 0 HD2 ARG A 37 1.051 11.519 -3.085 1.00 1.00 H new ATOM 0 HD3 ARG A 37 -0.423 11.202 -3.977 1.00 1.00 H new ATOM 0 HE ARG A 37 -0.497 9.783 -1.469 1.00 1.00 H new ATOM 0 HH11 ARG A 37 -0.825 12.966 -2.884 1.00 1.00 H new ATOM 0 HH12 ARG A 37 -1.788 13.580 -1.536 1.00 1.00 H new ATOM 0 HH21 ARG A 37 -1.704 10.600 0.226 1.00 1.00 H new ATOM 0 HH22 ARG A 37 -2.273 12.271 0.183 1.00 1.00 H new ATOM 609 N LEU A 38 3.445 6.220 -1.679 1.00 1.00 N ATOM 610 CA LEU A 38 4.459 5.647 -0.813 1.00 1.00 C ATOM 611 C LEU A 38 5.491 4.941 -1.689 1.00 1.00 C ATOM 612 O LEU A 38 6.693 5.152 -1.553 1.00 1.00 O ATOM 613 CB LEU A 38 3.763 4.683 0.162 1.00 1.00 C ATOM 614 CG LEU A 38 4.514 4.274 1.443 1.00 1.00 C ATOM 615 CD1 LEU A 38 5.698 3.368 1.148 1.00 1.00 C ATOM 616 CD2 LEU A 38 4.964 5.488 2.240 1.00 1.00 C ATOM 0 H LEU A 38 2.512 5.830 -1.546 1.00 1.00 H new ATOM 0 HA LEU A 38 4.978 6.406 -0.227 1.00 1.00 H new ATOM 0 HB2 LEU A 38 2.818 5.137 0.461 1.00 1.00 H new ATOM 0 HB3 LEU A 38 3.520 3.773 -0.386 1.00 1.00 H new ATOM 0 HG LEU A 38 3.805 3.709 2.048 1.00 1.00 H new ATOM 0 HD11 LEU A 38 6.197 3.106 2.081 1.00 1.00 H new ATOM 0 HD12 LEU A 38 5.348 2.460 0.656 1.00 1.00 H new ATOM 0 HD13 LEU A 38 6.400 3.887 0.495 1.00 1.00 H new ATOM 0 HD21 LEU A 38 5.490 5.160 3.137 1.00 1.00 H new ATOM 0 HD22 LEU A 38 5.631 6.097 1.630 1.00 1.00 H new ATOM 0 HD23 LEU A 38 4.094 6.079 2.526 1.00 1.00 H new ATOM 628 N SER A 39 4.993 4.151 -2.630 1.00 1.00 N ATOM 629 CA SER A 39 5.841 3.433 -3.573 1.00 1.00 C ATOM 630 C SER A 39 6.632 4.408 -4.448 1.00 1.00 C ATOM 631 O SER A 39 7.785 4.156 -4.777 1.00 1.00 O ATOM 632 CB SER A 39 4.982 2.526 -4.461 1.00 1.00 C ATOM 633 OG SER A 39 5.767 1.789 -5.388 1.00 1.00 O ATOM 0 H SER A 39 3.994 3.990 -2.762 1.00 1.00 H new ATOM 0 HA SER A 39 6.546 2.826 -3.005 1.00 1.00 H new ATOM 0 HB2 SER A 39 4.417 1.835 -3.835 1.00 1.00 H new ATOM 0 HB3 SER A 39 4.256 3.132 -5.003 1.00 1.00 H new ATOM 0 HG SER A 39 5.183 1.222 -5.934 1.00 1.00 H new ATOM 639 N GLU A 40 6.044 5.550 -4.804 1.00 1.00 N ATOM 640 CA GLU A 40 6.776 6.496 -5.643 1.00 1.00 C ATOM 641 C GLU A 40 7.807 7.284 -4.839 1.00 1.00 C ATOM 642 O GLU A 40 8.618 8.027 -5.399 1.00 1.00 O ATOM 643 CB GLU A 40 5.853 7.366 -6.476 1.00 1.00 C ATOM 644 CG GLU A 40 5.137 6.509 -7.502 1.00 1.00 C ATOM 645 CD GLU A 40 4.572 7.301 -8.652 1.00 1.00 C ATOM 646 OE1 GLU A 40 3.469 7.852 -8.508 1.00 1.00 O ATOM 647 OE2 GLU A 40 5.253 7.377 -9.708 1.00 1.00 O ATOM 0 H GLU A 40 5.101 5.835 -4.538 1.00 1.00 H new ATOM 0 HA GLU A 40 7.346 5.915 -6.368 1.00 1.00 H new ATOM 0 HB2 GLU A 40 5.127 7.864 -5.833 1.00 1.00 H new ATOM 0 HB3 GLU A 40 6.426 8.147 -6.976 1.00 1.00 H new ATOM 0 HG2 GLU A 40 5.831 5.763 -7.890 1.00 1.00 H new ATOM 0 HG3 GLU A 40 4.328 5.967 -7.011 1.00 1.00 H new ATOM 654 N HIS A 41 7.767 7.145 -3.519 1.00 1.00 N ATOM 655 CA HIS A 41 8.800 7.718 -2.691 1.00 1.00 C ATOM 656 C HIS A 41 9.893 6.654 -2.560 1.00 1.00 C ATOM 657 O HIS A 41 11.077 6.957 -2.461 1.00 1.00 O ATOM 658 CB HIS A 41 8.277 8.121 -1.320 1.00 1.00 C ATOM 659 CG HIS A 41 7.520 9.411 -1.322 1.00 1.00 C ATOM 660 ND1 HIS A 41 6.153 9.497 -1.412 1.00 1.00 N ATOM 661 CD2 HIS A 41 7.968 10.687 -1.219 1.00 1.00 C ATOM 662 CE1 HIS A 41 5.814 10.789 -1.355 1.00 1.00 C ATOM 663 NE2 HIS A 41 6.879 11.553 -1.238 1.00 1.00 N ATOM 0 H HIS A 41 7.037 6.645 -3.012 1.00 1.00 H new ATOM 0 HA HIS A 41 9.182 8.632 -3.147 1.00 1.00 H new ATOM 0 HB2 HIS A 41 7.630 7.330 -0.941 1.00 1.00 H new ATOM 0 HB3 HIS A 41 9.117 8.204 -0.630 1.00 1.00 H new ATOM 0 HD1 HIS A 41 5.508 8.712 -1.506 1.00 1.00 H new ATOM 0 HD2 HIS A 41 9.003 10.983 -1.136 1.00 1.00 H new ATOM 0 HE1 HIS A 41 4.800 11.157 -1.399 1.00 1.00 H new ATOM 671 N LEU A 42 9.474 5.384 -2.614 1.00 1.00 N ATOM 672 CA LEU A 42 10.410 4.260 -2.532 1.00 1.00 C ATOM 673 C LEU A 42 11.189 4.089 -3.847 1.00 1.00 C ATOM 674 O LEU A 42 12.203 3.401 -3.883 1.00 1.00 O ATOM 675 CB LEU A 42 9.685 2.956 -2.199 1.00 1.00 C ATOM 676 CG LEU A 42 8.719 3.016 -1.012 1.00 1.00 C ATOM 677 CD1 LEU A 42 8.259 1.613 -0.647 1.00 1.00 C ATOM 678 CD2 LEU A 42 9.350 3.710 0.193 1.00 1.00 C ATOM 0 H LEU A 42 8.496 5.111 -2.714 1.00 1.00 H new ATOM 0 HA LEU A 42 11.112 4.488 -1.730 1.00 1.00 H new ATOM 0 HB2 LEU A 42 9.129 2.636 -3.080 1.00 1.00 H new ATOM 0 HB3 LEU A 42 10.432 2.188 -1.997 1.00 1.00 H new ATOM 0 HG LEU A 42 7.853 3.608 -1.309 1.00 1.00 H new ATOM 0 HD11 LEU A 42 7.572 1.664 0.198 1.00 1.00 H new ATOM 0 HD12 LEU A 42 7.752 1.163 -1.500 1.00 1.00 H new ATOM 0 HD13 LEU A 42 9.123 1.006 -0.377 1.00 1.00 H new ATOM 0 HD21 LEU A 42 8.635 3.733 1.015 1.00 1.00 H new ATOM 0 HD22 LEU A 42 10.241 3.163 0.502 1.00 1.00 H new ATOM 0 HD23 LEU A 42 9.626 4.729 -0.077 1.00 1.00 H new ATOM 690 N LYS A 43 10.705 4.693 -4.942 1.00 1.00 N ATOM 691 CA LYS A 43 11.439 4.619 -6.213 1.00 1.00 C ATOM 692 C LYS A 43 12.609 5.599 -6.153 1.00 1.00 C ATOM 693 O LYS A 43 13.484 5.628 -7.023 1.00 1.00 O ATOM 694 CB LYS A 43 10.547 4.877 -7.433 1.00 1.00 C ATOM 695 CG LYS A 43 10.015 6.298 -7.571 1.00 1.00 C ATOM 696 CD LYS A 43 9.102 6.442 -8.789 1.00 1.00 C ATOM 697 CE LYS A 43 8.654 7.887 -8.968 1.00 1.00 C ATOM 698 NZ LYS A 43 7.715 8.065 -10.114 1.00 1.00 N ATOM 0 H LYS A 43 9.834 5.223 -4.975 1.00 1.00 H new ATOM 0 HA LYS A 43 11.811 3.603 -6.341 1.00 1.00 H new ATOM 0 HB2 LYS A 43 11.112 4.631 -8.332 1.00 1.00 H new ATOM 0 HB3 LYS A 43 9.699 4.193 -7.392 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.466 6.570 -6.670 1.00 1.00 H new ATOM 0 HG3 LYS A 43 10.850 6.993 -7.658 1.00 1.00 H new ATOM 0 HD2 LYS A 43 9.627 6.107 -9.683 1.00 1.00 H new ATOM 0 HD3 LYS A 43 8.230 5.799 -8.672 1.00 1.00 H new ATOM 0 HE2 LYS A 43 8.171 8.229 -8.052 1.00 1.00 H new ATOM 0 HE3 LYS A 43 9.530 8.518 -9.121 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 7.497 9.075 -10.230 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 8.156 7.704 -10.984 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 6.836 7.540 -9.928 1.00 1.00 H new ATOM 712 N VAL A 44 12.592 6.405 -5.095 1.00 1.00 N ATOM 713 CA VAL A 44 13.648 7.346 -4.800 1.00 1.00 C ATOM 714 C VAL A 44 14.560 6.638 -3.799 1.00 1.00 C ATOM 715 O VAL A 44 15.770 6.521 -3.985 1.00 1.00 O ATOM 716 CB VAL A 44 13.077 8.644 -4.194 1.00 1.00 C ATOM 717 CG1 VAL A 44 14.191 9.622 -3.879 1.00 1.00 C ATOM 718 CG2 VAL A 44 12.055 9.274 -5.134 1.00 1.00 C ATOM 0 H VAL A 44 11.832 6.417 -4.415 1.00 1.00 H new ATOM 0 HA VAL A 44 14.187 7.638 -5.702 1.00 1.00 H new ATOM 0 HB VAL A 44 12.571 8.392 -3.262 1.00 1.00 H new ATOM 0 HG11 VAL A 44 13.767 10.531 -3.452 1.00 1.00 H new ATOM 0 HG12 VAL A 44 14.879 9.172 -3.163 1.00 1.00 H new ATOM 0 HG13 VAL A 44 14.729 9.868 -4.794 1.00 1.00 H new ATOM 0 HG21 VAL A 44 11.665 10.188 -4.687 1.00 1.00 H new ATOM 0 HG22 VAL A 44 12.532 9.510 -6.085 1.00 1.00 H new ATOM 0 HG23 VAL A 44 11.236 8.575 -5.303 1.00 1.00 H new ATOM 728 N HIS A 45 13.926 6.130 -2.743 1.00 1.00 N ATOM 729 CA HIS A 45 14.585 5.317 -1.721 1.00 1.00 C ATOM 730 C HIS A 45 14.716 3.890 -2.290 1.00 1.00 C ATOM 731 O HIS A 45 14.184 2.928 -1.731 1.00 1.00 O ATOM 732 CB HIS A 45 13.724 5.312 -0.451 1.00 1.00 C ATOM 733 CG HIS A 45 13.733 6.604 0.310 1.00 1.00 C ATOM 734 ND1 HIS A 45 14.539 6.860 1.401 1.00 1.00 N ATOM 735 CD2 HIS A 45 12.990 7.725 0.127 1.00 1.00 C ATOM 736 CE1 HIS A 45 14.263 8.098 1.833 1.00 1.00 C ATOM 737 NE2 HIS A 45 13.331 8.664 1.094 1.00 1.00 N ATOM 0 H HIS A 45 12.931 6.272 -2.571 1.00 1.00 H new ATOM 0 HA HIS A 45 15.568 5.713 -1.466 1.00 1.00 H new ATOM 0 HB2 HIS A 45 12.696 5.073 -0.725 1.00 1.00 H new ATOM 0 HB3 HIS A 45 14.072 4.515 0.206 1.00 1.00 H new ATOM 0 HD1 HIS A 45 15.223 6.221 1.806 1.00 1.00 H new ATOM 0 HD2 HIS A 45 12.251 7.865 -0.648 1.00 1.00 H new ATOM 0 HE1 HIS A 45 14.742 8.570 2.678 1.00 1.00 H new ATOM 745 N LYS A 46 15.467 3.792 -3.395 1.00 1.00 N ATOM 746 CA LYS A 46 15.652 2.560 -4.189 1.00 1.00 C ATOM 747 C LYS A 46 15.732 1.279 -3.347 1.00 1.00 C ATOM 748 O LYS A 46 14.960 0.345 -3.547 1.00 1.00 O ATOM 749 CB LYS A 46 16.891 2.726 -5.066 1.00 1.00 C ATOM 750 CG LYS A 46 16.941 1.788 -6.259 1.00 1.00 C ATOM 751 CD LYS A 46 18.142 2.096 -7.138 1.00 1.00 C ATOM 752 CE LYS A 46 18.128 1.281 -8.420 1.00 1.00 C ATOM 753 NZ LYS A 46 16.977 1.636 -9.297 1.00 1.00 N ATOM 0 H LYS A 46 15.979 4.588 -3.776 1.00 1.00 H new ATOM 0 HA LYS A 46 14.763 2.430 -4.805 1.00 1.00 H new ATOM 0 HB2 LYS A 46 16.933 3.754 -5.425 1.00 1.00 H new ATOM 0 HB3 LYS A 46 17.779 2.565 -4.455 1.00 1.00 H new ATOM 0 HG2 LYS A 46 16.993 0.755 -5.914 1.00 1.00 H new ATOM 0 HG3 LYS A 46 16.024 1.884 -6.841 1.00 1.00 H new ATOM 0 HD2 LYS A 46 18.150 3.158 -7.383 1.00 1.00 H new ATOM 0 HD3 LYS A 46 19.059 1.889 -6.586 1.00 1.00 H new ATOM 0 HE2 LYS A 46 19.060 1.443 -8.962 1.00 1.00 H new ATOM 0 HE3 LYS A 46 18.082 0.220 -8.174 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 17.130 1.241 -10.247 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 16.101 1.244 -8.896 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 16.895 2.671 -9.361 1.00 1.00 H new ATOM 767 N LYS A 47 16.697 1.213 -2.457 1.00 1.00 N ATOM 768 CA LYS A 47 16.820 0.075 -1.550 1.00 1.00 C ATOM 769 C LYS A 47 17.064 0.605 -0.147 1.00 1.00 C ATOM 770 O LYS A 47 17.593 -0.083 0.715 1.00 1.00 O ATOM 771 CB LYS A 47 17.943 -0.878 -1.965 1.00 1.00 C ATOM 772 CG LYS A 47 17.561 -1.834 -3.087 1.00 1.00 C ATOM 773 CD LYS A 47 18.691 -2.805 -3.391 1.00 1.00 C ATOM 774 CE LYS A 47 18.271 -3.874 -4.391 1.00 1.00 C ATOM 775 NZ LYS A 47 17.163 -4.725 -3.874 1.00 1.00 N ATOM 0 H LYS A 47 17.412 1.930 -2.336 1.00 1.00 H new ATOM 0 HA LYS A 47 15.896 -0.501 -1.585 1.00 1.00 H new ATOM 0 HB2 LYS A 47 18.806 -0.291 -2.280 1.00 1.00 H new ATOM 0 HB3 LYS A 47 18.252 -1.459 -1.096 1.00 1.00 H new ATOM 0 HG2 LYS A 47 16.666 -2.390 -2.806 1.00 1.00 H new ATOM 0 HG3 LYS A 47 17.315 -1.266 -3.984 1.00 1.00 H new ATOM 0 HD2 LYS A 47 19.545 -2.255 -3.786 1.00 1.00 H new ATOM 0 HD3 LYS A 47 19.018 -3.282 -2.467 1.00 1.00 H new ATOM 0 HE2 LYS A 47 17.957 -3.397 -5.320 1.00 1.00 H new ATOM 0 HE3 LYS A 47 19.129 -4.503 -4.630 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 17.091 -5.589 -4.449 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 17.356 -4.983 -2.885 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 16.268 -4.199 -3.926 1.00 1.00 H new ATOM 789 N ASP A 48 16.662 1.852 0.057 1.00 1.00 N ATOM 790 CA ASP A 48 16.821 2.527 1.342 1.00 1.00 C ATOM 791 C ASP A 48 15.530 2.402 2.153 1.00 1.00 C ATOM 792 O ASP A 48 15.489 2.673 3.351 1.00 1.00 O ATOM 793 CB ASP A 48 17.138 4.004 1.080 1.00 1.00 C ATOM 794 CG ASP A 48 17.384 4.794 2.343 1.00 1.00 C ATOM 795 OD1 ASP A 48 18.465 4.639 2.941 1.00 1.00 O ATOM 796 OD2 ASP A 48 16.493 5.587 2.719 1.00 1.00 O ATOM 0 H ASP A 48 16.217 2.425 -0.660 1.00 1.00 H new ATOM 0 HA ASP A 48 17.633 2.071 1.909 1.00 1.00 H new ATOM 0 HB2 ASP A 48 18.018 4.072 0.440 1.00 1.00 H new ATOM 0 HB3 ASP A 48 16.310 4.455 0.533 1.00 1.00 H new ATOM 801 N HIS A 49 14.490 1.919 1.493 1.00 1.00 N ATOM 802 CA HIS A 49 13.178 1.814 2.108 1.00 1.00 C ATOM 803 C HIS A 49 13.037 0.676 3.130 1.00 1.00 C ATOM 804 O HIS A 49 13.489 -0.447 2.929 1.00 1.00 O ATOM 805 CB HIS A 49 12.088 1.705 1.027 1.00 1.00 C ATOM 806 CG HIS A 49 12.200 0.525 0.092 1.00 1.00 C ATOM 807 ND1 HIS A 49 12.731 0.600 -1.179 1.00 1.00 N ATOM 808 CD2 HIS A 49 11.779 -0.759 0.241 1.00 1.00 C ATOM 809 CE1 HIS A 49 12.615 -0.608 -1.748 1.00 1.00 C ATOM 810 NE2 HIS A 49 12.045 -1.466 -0.929 1.00 1.00 N ATOM 0 H HIS A 49 14.530 1.592 0.528 1.00 1.00 H new ATOM 0 HA HIS A 49 13.050 2.733 2.680 1.00 1.00 H new ATOM 0 HB2 HIS A 49 11.117 1.661 1.521 1.00 1.00 H new ATOM 0 HB3 HIS A 49 12.102 2.618 0.432 1.00 1.00 H new ATOM 0 HD1 HIS A 49 13.140 1.429 -1.610 1.00 1.00 H new ATOM 0 HD2 HIS A 49 11.312 -1.166 1.126 1.00 1.00 H new ATOM 0 HE1 HIS A 49 12.946 -0.846 -2.748 1.00 1.00 H new ATOM 818 N HIS A 50 12.424 1.020 4.248 1.00 1.00 N ATOM 819 CA HIS A 50 12.118 0.070 5.319 1.00 1.00 C ATOM 820 C HIS A 50 10.702 0.384 5.796 1.00 1.00 C ATOM 821 O HIS A 50 10.288 0.092 6.915 1.00 1.00 O ATOM 822 CB HIS A 50 13.144 0.162 6.459 1.00 1.00 C ATOM 823 CG HIS A 50 13.009 -0.909 7.513 1.00 1.00 C ATOM 824 ND1 HIS A 50 13.580 -2.161 7.424 1.00 1.00 N ATOM 825 CD2 HIS A 50 12.355 -0.887 8.706 1.00 1.00 C ATOM 826 CE1 HIS A 50 13.260 -2.843 8.536 1.00 1.00 C ATOM 827 NE2 HIS A 50 12.521 -2.113 9.343 1.00 1.00 N ATOM 0 H HIS A 50 12.119 1.973 4.446 1.00 1.00 H new ATOM 0 HA HIS A 50 12.175 -0.956 4.957 1.00 1.00 H new ATOM 0 HB2 HIS A 50 14.146 0.110 6.033 1.00 1.00 H new ATOM 0 HB3 HIS A 50 13.050 1.137 6.937 1.00 1.00 H new ATOM 0 HD2 HIS A 50 11.795 -0.050 9.097 1.00 1.00 H new ATOM 0 HE1 HIS A 50 13.569 -3.857 8.741 1.00 1.00 H new ATOM 0 HE2 HIS A 50 12.146 -2.389 10.251 1.00 1.00 H new ATOM 835 N SER A 51 9.953 0.989 4.896 1.00 1.00 N ATOM 836 CA SER A 51 8.578 1.376 5.155 1.00 1.00 C ATOM 837 C SER A 51 7.664 0.170 4.966 1.00 1.00 C ATOM 838 O SER A 51 6.904 0.096 4.005 1.00 1.00 O ATOM 839 CB SER A 51 8.203 2.503 4.195 1.00 1.00 C ATOM 840 OG SER A 51 8.546 2.150 2.862 1.00 1.00 O ATOM 0 H SER A 51 10.281 1.228 3.960 1.00 1.00 H new ATOM 0 HA SER A 51 8.465 1.728 6.180 1.00 1.00 H new ATOM 0 HB2 SER A 51 7.134 2.706 4.261 1.00 1.00 H new ATOM 0 HB3 SER A 51 8.719 3.420 4.480 1.00 1.00 H new ATOM 0 HG SER A 51 8.118 1.300 2.628 1.00 1.00 H new ATOM 846 N HIS A 52 7.736 -0.769 5.908 1.00 1.00 N ATOM 847 CA HIS A 52 6.964 -2.013 5.834 1.00 1.00 C ATOM 848 C HIS A 52 5.449 -1.781 5.825 1.00 1.00 C ATOM 849 O HIS A 52 4.708 -2.539 5.206 1.00 1.00 O ATOM 850 CB HIS A 52 7.335 -2.953 6.989 1.00 1.00 C ATOM 851 CG HIS A 52 8.718 -3.530 6.883 1.00 1.00 C ATOM 852 ND1 HIS A 52 9.230 -4.464 7.756 1.00 1.00 N ATOM 853 CD2 HIS A 52 9.699 -3.296 5.973 1.00 1.00 C ATOM 854 CE1 HIS A 52 10.473 -4.763 7.359 1.00 1.00 C ATOM 855 NE2 HIS A 52 10.805 -4.081 6.282 1.00 1.00 N ATOM 0 H HIS A 52 8.325 -0.693 6.738 1.00 1.00 H new ATOM 0 HA HIS A 52 7.227 -2.475 4.883 1.00 1.00 H new ATOM 0 HB2 HIS A 52 7.250 -2.408 7.929 1.00 1.00 H new ATOM 0 HB3 HIS A 52 6.613 -3.769 7.027 1.00 1.00 H new ATOM 0 HD2 HIS A 52 9.631 -2.610 5.142 1.00 1.00 H new ATOM 0 HE1 HIS A 52 11.119 -5.471 7.857 1.00 1.00 H new ATOM 0 HE2 HIS A 52 11.691 -4.120 5.778 1.00 1.00 H new ATOM 863 N ARG A 53 4.991 -0.716 6.470 1.00 1.00 N ATOM 864 CA ARG A 53 3.550 -0.433 6.532 1.00 1.00 C ATOM 865 C ARG A 53 2.997 0.097 5.204 1.00 1.00 C ATOM 866 O ARG A 53 1.802 0.325 5.077 1.00 1.00 O ATOM 867 CB ARG A 53 3.235 0.570 7.634 1.00 1.00 C ATOM 868 CG ARG A 53 3.441 0.046 9.045 1.00 1.00 C ATOM 869 CD ARG A 53 3.028 1.105 10.063 1.00 1.00 C ATOM 870 NE ARG A 53 3.029 0.613 11.451 1.00 1.00 N ATOM 871 CZ ARG A 53 2.141 0.951 12.355 1.00 1.00 C ATOM 872 NH1 ARG A 53 1.177 1.761 12.065 1.00 1.00 N ATOM 873 NH2 ARG A 53 2.229 0.475 13.555 1.00 1.00 N ATOM 0 H ARG A 53 5.581 -0.039 6.953 1.00 1.00 H new ATOM 0 HA ARG A 53 3.066 -1.385 6.749 1.00 1.00 H new ATOM 0 HB2 ARG A 53 3.860 1.452 7.493 1.00 1.00 H new ATOM 0 HB3 ARG A 53 2.199 0.893 7.528 1.00 1.00 H new ATOM 0 HG2 ARG A 53 2.855 -0.861 9.194 1.00 1.00 H new ATOM 0 HG3 ARG A 53 4.487 -0.223 9.192 1.00 1.00 H new ATOM 0 HD2 ARG A 53 3.705 1.956 9.986 1.00 1.00 H new ATOM 0 HD3 ARG A 53 2.031 1.468 9.815 1.00 1.00 H new ATOM 0 HE ARG A 53 3.769 -0.033 11.727 1.00 1.00 H new ATOM 0 HH11 ARG A 53 1.100 2.146 11.123 1.00 1.00 H new ATOM 0 HH12 ARG A 53 0.493 2.016 12.778 1.00 1.00 H new ATOM 0 HH21 ARG A 53 2.988 -0.162 13.797 1.00 1.00 H new ATOM 0 HH22 ARG A 53 1.539 0.737 14.259 1.00 1.00 H new ATOM 887 N GLY A 54 3.871 0.333 4.243 1.00 1.00 N ATOM 888 CA GLY A 54 3.437 0.800 2.936 1.00 1.00 C ATOM 889 C GLY A 54 4.137 0.027 1.841 1.00 1.00 C ATOM 890 O GLY A 54 4.081 0.368 0.662 1.00 1.00 O ATOM 0 H GLY A 54 4.879 0.211 4.340 1.00 1.00 H new ATOM 0 HA2 GLY A 54 2.358 0.682 2.840 1.00 1.00 H new ATOM 0 HA3 GLY A 54 3.651 1.864 2.833 1.00 1.00 H new ATOM 894 N LEU A 55 4.781 -1.047 2.258 1.00 1.00 N ATOM 895 CA LEU A 55 5.539 -1.905 1.365 1.00 1.00 C ATOM 896 C LEU A 55 4.642 -3.032 0.827 1.00 1.00 C ATOM 897 O LEU A 55 3.416 -2.962 0.920 1.00 1.00 O ATOM 898 CB LEU A 55 6.753 -2.448 2.152 1.00 1.00 C ATOM 899 CG LEU A 55 7.940 -3.007 1.351 1.00 1.00 C ATOM 900 CD1 LEU A 55 8.422 -2.009 0.313 1.00 1.00 C ATOM 901 CD2 LEU A 55 9.084 -3.361 2.293 1.00 1.00 C ATOM 0 H LEU A 55 4.793 -1.351 3.232 1.00 1.00 H new ATOM 0 HA LEU A 55 5.898 -1.352 0.497 1.00 1.00 H new ATOM 0 HB2 LEU A 55 7.127 -1.644 2.786 1.00 1.00 H new ATOM 0 HB3 LEU A 55 6.396 -3.237 2.814 1.00 1.00 H new ATOM 0 HG LEU A 55 7.603 -3.904 0.832 1.00 1.00 H new ATOM 0 HD11 LEU A 55 9.262 -2.433 -0.237 1.00 1.00 H new ATOM 0 HD12 LEU A 55 7.611 -1.784 -0.380 1.00 1.00 H new ATOM 0 HD13 LEU A 55 8.740 -1.092 0.810 1.00 1.00 H new ATOM 0 HD21 LEU A 55 9.921 -3.756 1.717 1.00 1.00 H new ATOM 0 HD22 LEU A 55 9.403 -2.468 2.830 1.00 1.00 H new ATOM 0 HD23 LEU A 55 8.748 -4.113 3.007 1.00 1.00 H new ATOM 913 N LEU A 56 5.256 -4.062 0.268 1.00 1.00 N ATOM 914 CA LEU A 56 4.533 -5.214 -0.286 1.00 1.00 C ATOM 915 C LEU A 56 3.562 -5.825 0.732 1.00 1.00 C ATOM 916 O LEU A 56 2.543 -6.409 0.358 1.00 1.00 O ATOM 917 CB LEU A 56 5.541 -6.262 -0.734 1.00 1.00 C ATOM 918 CG LEU A 56 6.440 -5.839 -1.896 1.00 1.00 C ATOM 919 CD1 LEU A 56 7.386 -6.968 -2.256 1.00 1.00 C ATOM 920 CD2 LEU A 56 5.616 -5.429 -3.111 1.00 1.00 C ATOM 0 H LEU A 56 6.270 -4.131 0.181 1.00 1.00 H new ATOM 0 HA LEU A 56 3.940 -4.870 -1.134 1.00 1.00 H new ATOM 0 HB2 LEU A 56 6.171 -6.525 0.116 1.00 1.00 H new ATOM 0 HB3 LEU A 56 5.001 -7.164 -1.022 1.00 1.00 H new ATOM 0 HG LEU A 56 7.021 -4.973 -1.580 1.00 1.00 H new ATOM 0 HD11 LEU A 56 8.023 -6.659 -3.085 1.00 1.00 H new ATOM 0 HD12 LEU A 56 8.006 -7.212 -1.393 1.00 1.00 H new ATOM 0 HD13 LEU A 56 6.810 -7.846 -2.549 1.00 1.00 H new ATOM 0 HD21 LEU A 56 6.284 -5.134 -3.920 1.00 1.00 H new ATOM 0 HD22 LEU A 56 5.003 -6.270 -3.435 1.00 1.00 H new ATOM 0 HD23 LEU A 56 4.972 -4.590 -2.848 1.00 1.00 H new ATOM 932 N MET A 57 3.910 -5.729 2.017 1.00 1.00 N ATOM 933 CA MET A 57 3.044 -6.210 3.087 1.00 1.00 C ATOM 934 C MET A 57 1.668 -5.533 2.996 1.00 1.00 C ATOM 935 O MET A 57 0.633 -6.192 3.036 1.00 1.00 O ATOM 936 CB MET A 57 3.683 -5.918 4.450 1.00 1.00 C ATOM 937 CG MET A 57 2.849 -6.401 5.626 1.00 1.00 C ATOM 938 SD MET A 57 3.607 -6.043 7.222 1.00 1.00 S ATOM 939 CE MET A 57 2.389 -6.749 8.331 1.00 1.00 C ATOM 0 H MET A 57 4.788 -5.321 2.339 1.00 1.00 H new ATOM 0 HA MET A 57 2.915 -7.287 2.980 1.00 1.00 H new ATOM 0 HB2 MET A 57 4.664 -6.391 4.492 1.00 1.00 H new ATOM 0 HB3 MET A 57 3.843 -4.844 4.545 1.00 1.00 H new ATOM 0 HG2 MET A 57 1.866 -5.932 5.584 1.00 1.00 H new ATOM 0 HG3 MET A 57 2.694 -7.476 5.537 1.00 1.00 H new ATOM 0 HE1 MET A 57 2.712 -6.609 9.363 1.00 1.00 H new ATOM 0 HE2 MET A 57 1.430 -6.254 8.181 1.00 1.00 H new ATOM 0 HE3 MET A 57 2.284 -7.814 8.125 1.00 1.00 H new ATOM 949 N MET A 58 1.676 -4.213 2.837 1.00 1.00 N ATOM 950 CA MET A 58 0.437 -3.439 2.715 1.00 1.00 C ATOM 951 C MET A 58 -0.293 -3.822 1.422 1.00 1.00 C ATOM 952 O MET A 58 -1.517 -3.978 1.398 1.00 1.00 O ATOM 953 CB MET A 58 0.761 -1.944 2.724 1.00 1.00 C ATOM 954 CG MET A 58 -0.461 -1.045 2.625 1.00 1.00 C ATOM 955 SD MET A 58 -0.026 0.704 2.623 1.00 1.00 S ATOM 956 CE MET A 58 -1.639 1.461 2.474 1.00 1.00 C ATOM 0 H MET A 58 2.527 -3.653 2.789 1.00 1.00 H new ATOM 0 HA MET A 58 -0.214 -3.663 3.560 1.00 1.00 H new ATOM 0 HB2 MET A 58 1.301 -1.705 3.640 1.00 1.00 H new ATOM 0 HB3 MET A 58 1.430 -1.723 1.892 1.00 1.00 H new ATOM 0 HG2 MET A 58 -1.010 -1.281 1.714 1.00 1.00 H new ATOM 0 HG3 MET A 58 -1.129 -1.250 3.462 1.00 1.00 H new ATOM 0 HE1 MET A 58 -1.583 2.303 1.784 1.00 1.00 H new ATOM 0 HE2 MET A 58 -2.351 0.728 2.096 1.00 1.00 H new ATOM 0 HE3 MET A 58 -1.967 1.814 3.452 1.00 1.00 H new ATOM 966 N VAL A 59 0.482 -3.981 0.348 1.00 1.00 N ATOM 967 CA VAL A 59 -0.053 -4.388 -0.953 1.00 1.00 C ATOM 968 C VAL A 59 -0.778 -5.730 -0.820 1.00 1.00 C ATOM 969 O VAL A 59 -1.878 -5.918 -1.342 1.00 1.00 O ATOM 970 CB VAL A 59 1.076 -4.518 -2.006 1.00 1.00 C ATOM 971 CG1 VAL A 59 0.522 -4.911 -3.369 1.00 1.00 C ATOM 972 CG2 VAL A 59 1.866 -3.223 -2.111 1.00 1.00 C ATOM 0 H VAL A 59 1.491 -3.833 0.354 1.00 1.00 H new ATOM 0 HA VAL A 59 -0.751 -3.620 -1.286 1.00 1.00 H new ATOM 0 HB VAL A 59 1.746 -5.311 -1.673 1.00 1.00 H new ATOM 0 HG11 VAL A 59 1.340 -4.994 -4.084 1.00 1.00 H new ATOM 0 HG12 VAL A 59 0.010 -5.870 -3.291 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -0.182 -4.151 -3.709 1.00 1.00 H new ATOM 0 HG21 VAL A 59 2.654 -3.337 -2.856 1.00 1.00 H new ATOM 0 HG22 VAL A 59 1.200 -2.413 -2.408 1.00 1.00 H new ATOM 0 HG23 VAL A 59 2.312 -2.989 -1.144 1.00 1.00 H new ATOM 982 N GLY A 60 -0.154 -6.651 -0.100 1.00 1.00 N ATOM 983 CA GLY A 60 -0.744 -7.952 0.125 1.00 1.00 C ATOM 984 C GLY A 60 -1.974 -7.897 1.019 1.00 1.00 C ATOM 985 O GLY A 60 -2.935 -8.632 0.799 1.00 1.00 O ATOM 0 H GLY A 60 0.759 -6.517 0.335 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -1.017 -8.392 -0.834 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -0.001 -8.609 0.577 1.00 1.00 H new ATOM 989 N GLN A 61 -1.978 -6.999 2.004 1.00 1.00 N ATOM 990 CA GLN A 61 -3.121 -6.905 2.914 1.00 1.00 C ATOM 991 C GLN A 61 -4.312 -6.267 2.213 1.00 1.00 C ATOM 992 O GLN A 61 -5.458 -6.454 2.628 1.00 1.00 O ATOM 993 CB GLN A 61 -2.771 -6.158 4.196 1.00 1.00 C ATOM 994 CG GLN A 61 -1.740 -6.904 5.018 1.00 1.00 C ATOM 995 CD GLN A 61 -1.512 -6.293 6.382 1.00 1.00 C ATOM 996 OE1 GLN A 61 -1.664 -5.097 6.578 1.00 1.00 O ATOM 997 NE2 GLN A 61 -1.137 -7.116 7.340 1.00 1.00 N ATOM 0 H GLN A 61 -1.222 -6.340 2.191 1.00 1.00 H new ATOM 0 HA GLN A 61 -3.395 -7.920 3.204 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -2.390 -5.168 3.947 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -3.673 -6.012 4.790 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -2.061 -7.939 5.139 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -0.796 -6.925 4.474 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -1.020 -8.110 7.142 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -0.964 -6.760 8.280 1.00 1.00 H new ATOM 1006 N ARG A 62 -4.058 -5.511 1.137 1.00 1.00 N ATOM 1007 CA ARG A 62 -5.149 -4.940 0.394 1.00 1.00 C ATOM 1008 C ARG A 62 -5.578 -5.930 -0.690 1.00 1.00 C ATOM 1009 O ARG A 62 -6.692 -5.878 -1.193 1.00 1.00 O ATOM 1010 CB ARG A 62 -4.832 -3.529 -0.149 1.00 1.00 C ATOM 1011 CG ARG A 62 -3.732 -3.396 -1.215 1.00 1.00 C ATOM 1012 CD ARG A 62 -4.201 -3.800 -2.622 1.00 1.00 C ATOM 1013 NE ARG A 62 -3.185 -3.541 -3.663 1.00 1.00 N ATOM 1014 CZ ARG A 62 -3.054 -4.225 -4.777 1.00 1.00 C ATOM 1015 NH1 ARG A 62 -3.834 -5.227 -5.033 1.00 1.00 N ATOM 1016 NH2 ARG A 62 -2.142 -3.888 -5.638 1.00 1.00 N ATOM 0 H ARG A 62 -3.127 -5.294 0.782 1.00 1.00 H new ATOM 0 HA ARG A 62 -5.993 -4.778 1.065 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -5.751 -3.117 -0.565 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -4.555 -2.900 0.697 1.00 1.00 H new ATOM 0 HG2 ARG A 62 -3.380 -2.365 -1.238 1.00 1.00 H new ATOM 0 HG3 ARG A 62 -2.882 -4.016 -0.930 1.00 1.00 H new ATOM 0 HD2 ARG A 62 -4.454 -4.860 -2.625 1.00 1.00 H new ATOM 0 HD3 ARG A 62 -5.112 -3.254 -2.867 1.00 1.00 H new ATOM 0 HE ARG A 62 -2.535 -2.771 -3.504 1.00 1.00 H new ATOM 0 HH11 ARG A 62 -4.559 -5.492 -4.366 1.00 1.00 H new ATOM 0 HH12 ARG A 62 -3.723 -5.751 -5.901 1.00 1.00 H new ATOM 0 HH21 ARG A 62 -1.530 -3.094 -5.448 1.00 1.00 H new ATOM 0 HH22 ARG A 62 -2.038 -4.417 -6.504 1.00 1.00 H new ATOM 1030 N ARG A 63 -4.686 -6.867 -1.019 1.00 1.00 N ATOM 1031 CA ARG A 63 -5.001 -7.909 -1.995 1.00 1.00 C ATOM 1032 C ARG A 63 -5.858 -9.002 -1.332 1.00 1.00 C ATOM 1033 O ARG A 63 -6.532 -9.785 -2.002 1.00 1.00 O ATOM 1034 CB ARG A 63 -3.717 -8.496 -2.581 1.00 1.00 C ATOM 1035 CG ARG A 63 -3.948 -9.553 -3.645 1.00 1.00 C ATOM 1036 CD ARG A 63 -2.625 -10.071 -4.203 1.00 1.00 C ATOM 1037 NE ARG A 63 -1.858 -9.020 -4.893 1.00 1.00 N ATOM 1038 CZ ARG A 63 -0.587 -8.764 -4.701 1.00 1.00 C ATOM 1039 NH1 ARG A 63 0.085 -9.366 -3.774 1.00 1.00 N ATOM 1040 NH2 ARG A 63 -0.003 -7.870 -5.431 1.00 1.00 N ATOM 0 H ARG A 63 -3.746 -6.925 -0.626 1.00 1.00 H new ATOM 0 HA ARG A 63 -5.572 -7.472 -2.814 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -3.123 -7.688 -3.009 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -3.128 -8.931 -1.774 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -4.517 -10.381 -3.222 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -4.548 -9.135 -4.453 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -2.026 -10.480 -3.390 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -2.821 -10.889 -4.897 1.00 1.00 H new ATOM 0 HE ARG A 63 -2.355 -8.446 -5.574 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -0.374 -10.054 -3.177 1.00 1.00 H new ATOM 0 HH12 ARG A 63 1.073 -9.153 -3.640 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -0.531 -7.372 -6.148 1.00 1.00 H new ATOM 0 HH22 ARG A 63 0.986 -7.663 -5.290 1.00 1.00 H new ATOM 1054 N ARG A 64 -5.800 -9.075 -0.007 1.00 1.00 N ATOM 1055 CA ARG A 64 -6.625 -10.028 0.741 1.00 1.00 C ATOM 1056 C ARG A 64 -7.829 -9.301 1.343 1.00 1.00 C ATOM 1057 O ARG A 64 -8.664 -9.895 2.016 1.00 1.00 O ATOM 1058 CB ARG A 64 -5.830 -10.689 1.868 1.00 1.00 C ATOM 1059 CG ARG A 64 -4.573 -11.435 1.422 1.00 1.00 C ATOM 1060 CD ARG A 64 -4.864 -12.638 0.505 1.00 1.00 C ATOM 1061 NE ARG A 64 -5.265 -12.262 -0.866 1.00 1.00 N ATOM 1062 CZ ARG A 64 -4.939 -12.927 -1.954 1.00 1.00 C ATOM 1063 NH1 ARG A 64 -4.126 -13.931 -1.902 1.00 1.00 N ATOM 1064 NH2 ARG A 64 -5.423 -12.560 -3.100 1.00 1.00 N ATOM 0 H ARG A 64 -5.196 -8.492 0.572 1.00 1.00 H new ATOM 0 HA ARG A 64 -6.955 -10.802 0.048 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -5.543 -9.922 2.588 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -6.483 -11.388 2.391 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -3.915 -10.741 0.899 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -4.034 -11.782 2.304 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -3.975 -13.267 0.454 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -5.655 -13.240 0.952 1.00 1.00 H new ATOM 0 HE ARG A 64 -5.837 -11.425 -0.978 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -3.727 -14.218 -1.008 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -3.884 -14.436 -2.755 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -6.053 -11.760 -3.155 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -5.174 -13.072 -3.946 1.00 1.00 H new ATOM 1078 N LEU A 65 -7.925 -8.014 1.051 1.00 1.00 N ATOM 1079 CA LEU A 65 -8.991 -7.173 1.585 1.00 1.00 C ATOM 1080 C LEU A 65 -10.289 -7.299 0.781 1.00 1.00 C ATOM 1081 O LEU A 65 -11.375 -7.070 1.316 1.00 1.00 O ATOM 1082 CB LEU A 65 -8.511 -5.718 1.591 1.00 1.00 C ATOM 1083 CG LEU A 65 -9.502 -4.672 2.106 1.00 1.00 C ATOM 1084 CD1 LEU A 65 -9.894 -4.955 3.548 1.00 1.00 C ATOM 1085 CD2 LEU A 65 -8.894 -3.284 1.991 1.00 1.00 C ATOM 0 H LEU A 65 -7.272 -7.522 0.441 1.00 1.00 H new ATOM 0 HA LEU A 65 -9.216 -7.506 2.598 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -7.608 -5.660 2.198 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -8.229 -5.448 0.573 1.00 1.00 H new ATOM 0 HG LEU A 65 -10.403 -4.722 1.495 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -10.599 -4.197 3.889 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -10.360 -5.938 3.612 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -9.005 -4.933 4.178 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -9.604 -2.544 2.359 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -7.981 -3.237 2.584 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -8.660 -3.075 0.947 1.00 1.00 H new ATOM 1097 N LEU A 66 -10.187 -7.715 -0.483 1.00 1.00 N ATOM 1098 CA LEU A 66 -11.371 -7.824 -1.337 1.00 1.00 C ATOM 1099 C LEU A 66 -12.408 -8.773 -0.723 1.00 1.00 C ATOM 1100 O LEU A 66 -13.532 -8.363 -0.449 1.00 1.00 O ATOM 1101 CB LEU A 66 -11.030 -8.270 -2.773 1.00 1.00 C ATOM 1102 CG LEU A 66 -10.153 -7.319 -3.621 1.00 1.00 C ATOM 1103 CD1 LEU A 66 -10.635 -5.877 -3.528 1.00 1.00 C ATOM 1104 CD2 LEU A 66 -8.680 -7.423 -3.242 1.00 1.00 C ATOM 0 H LEU A 66 -9.310 -7.978 -0.933 1.00 1.00 H new ATOM 0 HA LEU A 66 -11.796 -6.822 -1.400 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -10.525 -9.234 -2.716 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -11.966 -8.432 -3.307 1.00 1.00 H new ATOM 0 HG LEU A 66 -10.253 -7.638 -4.659 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -9.994 -5.239 -4.137 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -11.661 -5.812 -3.890 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -10.595 -5.546 -2.490 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -8.096 -6.740 -3.859 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -8.555 -7.159 -2.192 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -8.334 -8.444 -3.404 1.00 1.00 H new ATOM 1116 N ARG A 67 -12.048 -10.029 -0.460 1.00 1.00 N ATOM 1117 CA ARG A 67 -13.032 -10.935 0.135 1.00 1.00 C ATOM 1118 C ARG A 67 -13.129 -10.768 1.646 1.00 1.00 C ATOM 1119 O ARG A 67 -13.749 -11.569 2.342 1.00 1.00 O ATOM 1120 CB ARG A 67 -12.841 -12.400 -0.255 1.00 1.00 C ATOM 1121 CG ARG A 67 -11.454 -12.994 -0.098 1.00 1.00 C ATOM 1122 CD ARG A 67 -11.501 -14.483 -0.459 1.00 1.00 C ATOM 1123 NE ARG A 67 -12.220 -14.720 -1.726 1.00 1.00 N ATOM 1124 CZ ARG A 67 -12.307 -15.874 -2.337 1.00 1.00 C ATOM 1125 NH1 ARG A 67 -11.620 -16.890 -1.931 1.00 1.00 N ATOM 1126 NH2 ARG A 67 -13.073 -15.993 -3.376 1.00 1.00 N ATOM 0 H ARG A 67 -11.127 -10.430 -0.639 1.00 1.00 H new ATOM 0 HA ARG A 67 -13.988 -10.635 -0.295 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -13.532 -12.998 0.339 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -13.138 -12.511 -1.298 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -10.747 -12.473 -0.743 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -11.104 -12.867 0.926 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -10.485 -14.869 -0.541 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -11.988 -15.036 0.344 1.00 1.00 H new ATOM 0 HE ARG A 67 -12.685 -13.922 -2.159 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -11.001 -16.798 -1.126 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -11.697 -17.784 -2.416 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -13.604 -15.190 -3.713 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -13.145 -16.890 -3.857 1.00 1.00 H new ATOM 1140 N TYR A 68 -12.519 -9.717 2.149 1.00 1.00 N ATOM 1141 CA TYR A 68 -12.603 -9.403 3.555 1.00 1.00 C ATOM 1142 C TYR A 68 -13.748 -8.413 3.730 1.00 1.00 C ATOM 1143 O TYR A 68 -14.666 -8.638 4.515 1.00 1.00 O ATOM 1144 CB TYR A 68 -11.279 -8.828 4.048 1.00 1.00 C ATOM 1145 CG TYR A 68 -11.150 -8.744 5.549 1.00 1.00 C ATOM 1146 CD1 TYR A 68 -11.323 -9.871 6.341 1.00 1.00 C ATOM 1147 CD2 TYR A 68 -10.864 -7.537 6.175 1.00 1.00 C ATOM 1148 CE1 TYR A 68 -11.182 -9.806 7.713 1.00 1.00 C ATOM 1149 CE2 TYR A 68 -10.716 -7.464 7.547 1.00 1.00 C ATOM 1150 CZ TYR A 68 -10.895 -8.598 8.312 1.00 1.00 C ATOM 1151 OH TYR A 68 -10.753 -8.536 9.679 1.00 1.00 O ATOM 0 H TYR A 68 -11.958 -9.064 1.601 1.00 1.00 H new ATOM 0 HA TYR A 68 -12.796 -10.297 4.148 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -10.465 -9.441 3.660 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -11.153 -7.829 3.629 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -11.572 -10.814 5.877 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -10.756 -6.642 5.580 1.00 1.00 H new ATOM 0 HE1 TYR A 68 -11.296 -10.696 8.313 1.00 1.00 H new ATOM 0 HE2 TYR A 68 -10.462 -6.526 8.017 1.00 1.00 H new ATOM 0 HH TYR A 68 -10.551 -7.615 9.945 1.00 1.00 H new ATOM 1161 N LEU A 69 -13.725 -7.349 2.928 1.00 1.00 N ATOM 1162 CA LEU A 69 -14.783 -6.343 2.981 1.00 1.00 C ATOM 1163 C LEU A 69 -16.083 -6.825 2.291 1.00 1.00 C ATOM 1164 O LEU A 69 -17.160 -6.326 2.598 1.00 1.00 O ATOM 1165 CB LEU A 69 -14.309 -4.976 2.433 1.00 1.00 C ATOM 1166 CG LEU A 69 -13.655 -4.932 1.035 1.00 1.00 C ATOM 1167 CD1 LEU A 69 -14.680 -5.097 -0.082 1.00 1.00 C ATOM 1168 CD2 LEU A 69 -12.910 -3.613 0.859 1.00 1.00 C ATOM 0 H LEU A 69 -12.994 -7.163 2.241 1.00 1.00 H new ATOM 0 HA LEU A 69 -15.024 -6.197 4.034 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -15.170 -4.308 2.418 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -13.596 -4.562 3.146 1.00 1.00 H new ATOM 0 HG LEU A 69 -12.958 -5.768 0.969 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -14.175 -5.060 -1.047 1.00 1.00 H new ATOM 0 HD12 LEU A 69 -15.185 -6.057 0.027 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -15.413 -4.293 -0.025 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -12.449 -3.584 -0.128 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -13.610 -2.784 0.957 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -12.137 -3.527 1.623 1.00 1.00 H new ATOM 1180 N GLN A 70 -16.004 -7.814 1.381 1.00 1.00 N ATOM 1181 CA GLN A 70 -17.232 -8.328 0.720 1.00 1.00 C ATOM 1182 C GLN A 70 -18.158 -8.981 1.729 1.00 1.00 C ATOM 1183 O GLN A 70 -19.360 -9.104 1.506 1.00 1.00 O ATOM 1184 CB GLN A 70 -16.936 -9.355 -0.382 1.00 1.00 C ATOM 1185 CG GLN A 70 -16.613 -10.764 0.101 1.00 1.00 C ATOM 1186 CD GLN A 70 -16.507 -11.740 -1.058 1.00 1.00 C ATOM 1187 OE1 GLN A 70 -15.443 -11.941 -1.625 1.00 1.00 O ATOM 1188 NE2 GLN A 70 -17.619 -12.337 -1.436 1.00 1.00 N ATOM 0 H GLN A 70 -15.137 -8.265 1.089 1.00 1.00 H new ATOM 0 HA GLN A 70 -17.705 -7.457 0.267 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -17.798 -9.407 -1.047 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -16.097 -8.992 -0.976 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -15.675 -10.753 0.656 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -17.387 -11.100 0.791 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -18.492 -12.149 -0.943 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -17.607 -12.987 -2.222 1.00 1.00 H new ATOM 1197 N ARG A 71 -17.580 -9.390 2.841 1.00 1.00 N ATOM 1198 CA ARG A 71 -18.319 -10.048 3.902 1.00 1.00 C ATOM 1199 C ARG A 71 -19.223 -9.067 4.646 1.00 1.00 C ATOM 1200 O ARG A 71 -20.291 -9.432 5.119 1.00 1.00 O ATOM 1201 CB ARG A 71 -17.333 -10.676 4.894 1.00 1.00 C ATOM 1202 CG ARG A 71 -16.438 -11.745 4.283 1.00 1.00 C ATOM 1203 CD ARG A 71 -15.319 -12.180 5.238 1.00 1.00 C ATOM 1204 NE ARG A 71 -15.830 -12.724 6.506 1.00 1.00 N ATOM 1205 CZ ARG A 71 -15.124 -12.856 7.604 1.00 1.00 C ATOM 1206 NH1 ARG A 71 -13.890 -12.469 7.652 1.00 1.00 N ATOM 1207 NH2 ARG A 71 -15.671 -13.375 8.659 1.00 1.00 N ATOM 0 H ARG A 71 -16.585 -9.276 3.035 1.00 1.00 H new ATOM 0 HA ARG A 71 -18.947 -10.816 3.451 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -16.707 -9.890 5.315 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -17.894 -11.114 5.720 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -17.042 -12.612 4.015 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -15.999 -11.365 3.361 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -14.702 -12.933 4.748 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -14.675 -11.326 5.448 1.00 1.00 H new ATOM 0 HE ARG A 71 -16.806 -13.021 6.533 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -13.453 -12.055 6.829 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -13.354 -12.578 8.513 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -16.645 -13.678 8.632 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -15.128 -13.480 9.516 1.00 1.00 H new ATOM 1221 N GLU A 72 -18.811 -7.813 4.705 1.00 1.00 N ATOM 1222 CA GLU A 72 -19.573 -6.799 5.444 1.00 1.00 C ATOM 1223 C GLU A 72 -20.538 -6.034 4.530 1.00 1.00 C ATOM 1224 O GLU A 72 -21.285 -5.159 4.979 1.00 1.00 O ATOM 1225 CB GLU A 72 -18.603 -5.861 6.157 1.00 1.00 C ATOM 1226 CG GLU A 72 -17.694 -6.602 7.127 1.00 1.00 C ATOM 1227 CD GLU A 72 -16.760 -5.684 7.886 1.00 1.00 C ATOM 1228 OE1 GLU A 72 -17.225 -5.013 8.834 1.00 1.00 O ATOM 1229 OE2 GLU A 72 -15.557 -5.643 7.543 1.00 1.00 O ATOM 0 H GLU A 72 -17.963 -7.466 4.258 1.00 1.00 H new ATOM 0 HA GLU A 72 -20.193 -7.297 6.190 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -17.995 -5.340 5.418 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -19.167 -5.101 6.698 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -18.307 -7.156 7.838 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -17.105 -7.335 6.576 1.00 1.00 H new ATOM 1236 N ASP A 73 -20.512 -6.406 3.255 1.00 1.00 N ATOM 1237 CA ASP A 73 -21.355 -5.845 2.212 1.00 1.00 C ATOM 1238 C ASP A 73 -20.896 -6.432 0.881 1.00 1.00 C ATOM 1239 O ASP A 73 -19.785 -6.157 0.411 1.00 1.00 O ATOM 1240 CB ASP A 73 -21.306 -4.317 2.157 1.00 1.00 C ATOM 1241 CG ASP A 73 -22.345 -3.750 1.209 1.00 1.00 C ATOM 1242 OD1 ASP A 73 -22.133 -3.818 -0.021 1.00 1.00 O ATOM 1243 OD2 ASP A 73 -23.366 -3.226 1.685 1.00 1.00 O ATOM 0 H ASP A 73 -19.882 -7.130 2.910 1.00 1.00 H new ATOM 0 HA ASP A 73 -22.391 -6.104 2.429 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -21.468 -3.913 3.156 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -20.313 -3.997 1.841 1.00 1.00 H new ATOM 1248 N PRO A 74 -21.736 -7.248 0.247 1.00 1.00 N ATOM 1249 CA PRO A 74 -21.385 -7.905 -1.013 1.00 1.00 C ATOM 1250 C PRO A 74 -21.376 -6.956 -2.197 1.00 1.00 C ATOM 1251 O PRO A 74 -20.748 -7.219 -3.224 1.00 1.00 O ATOM 1252 CB PRO A 74 -22.506 -8.919 -1.191 1.00 1.00 C ATOM 1253 CG PRO A 74 -23.677 -8.293 -0.513 1.00 1.00 C ATOM 1254 CD PRO A 74 -23.114 -7.559 0.673 1.00 1.00 C ATOM 0 HA PRO A 74 -20.381 -8.327 -0.975 1.00 1.00 H new ATOM 0 HB2 PRO A 74 -22.710 -9.106 -2.245 1.00 1.00 H new ATOM 0 HB3 PRO A 74 -22.251 -9.878 -0.740 1.00 1.00 H new ATOM 0 HG2 PRO A 74 -24.200 -7.611 -1.184 1.00 1.00 H new ATOM 0 HG3 PRO A 74 -24.398 -9.048 -0.200 1.00 1.00 H new ATOM 0 HD2 PRO A 74 -23.682 -6.655 0.895 1.00 1.00 H new ATOM 0 HD3 PRO A 74 -23.129 -8.174 1.573 1.00 1.00 H new ATOM 1262 N GLU A 75 -22.044 -5.837 -2.044 1.00 1.00 N ATOM 1263 CA GLU A 75 -22.146 -4.885 -3.122 1.00 1.00 C ATOM 1264 C GLU A 75 -20.922 -3.992 -3.150 1.00 1.00 C ATOM 1265 O GLU A 75 -20.453 -3.608 -4.220 1.00 1.00 O ATOM 1266 CB GLU A 75 -23.416 -4.070 -2.977 1.00 1.00 C ATOM 1267 CG GLU A 75 -24.659 -4.926 -2.833 1.00 1.00 C ATOM 1268 CD GLU A 75 -25.915 -4.090 -2.782 1.00 1.00 C ATOM 1269 OE1 GLU A 75 -26.209 -3.527 -1.708 1.00 1.00 O ATOM 1270 OE2 GLU A 75 -26.592 -3.975 -3.825 1.00 1.00 O ATOM 0 H GLU A 75 -22.523 -5.565 -1.186 1.00 1.00 H new ATOM 0 HA GLU A 75 -22.193 -5.421 -4.070 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -23.326 -3.421 -2.106 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -23.527 -3.423 -3.847 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -24.720 -5.622 -3.670 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -24.584 -5.525 -1.925 1.00 1.00 H new ATOM 1277 N ARG A 76 -20.389 -3.671 -1.972 1.00 1.00 N ATOM 1278 CA ARG A 76 -19.184 -2.856 -1.907 1.00 1.00 C ATOM 1279 C ARG A 76 -18.013 -3.647 -2.501 1.00 1.00 C ATOM 1280 O ARG A 76 -17.075 -3.068 -3.027 1.00 1.00 O ATOM 1281 CB ARG A 76 -18.814 -2.417 -0.482 1.00 1.00 C ATOM 1282 CG ARG A 76 -19.865 -1.605 0.281 1.00 1.00 C ATOM 1283 CD ARG A 76 -20.655 -0.620 -0.593 1.00 1.00 C ATOM 1284 NE ARG A 76 -21.960 -1.176 -1.000 1.00 1.00 N ATOM 1285 CZ ARG A 76 -22.861 -0.540 -1.704 1.00 1.00 C ATOM 1286 NH1 ARG A 76 -22.582 0.581 -2.283 1.00 1.00 N ATOM 1287 NH2 ARG A 76 -24.040 -1.063 -1.854 1.00 1.00 N ATOM 0 H ARG A 76 -20.765 -3.957 -1.068 1.00 1.00 H new ATOM 0 HA ARG A 76 -19.388 -1.949 -2.476 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -18.584 -3.309 0.100 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -17.899 -1.826 -0.534 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -20.564 -2.293 0.757 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -19.371 -1.050 1.079 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -20.810 0.309 -0.045 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -20.072 -0.373 -1.480 1.00 1.00 H new ATOM 0 HE ARG A 76 -22.176 -2.130 -0.710 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -21.648 0.982 -2.195 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -23.295 1.065 -2.828 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -24.257 -1.962 -1.425 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -24.749 -0.574 -2.401 1.00 1.00 H new ATOM 1301 N TYR A 77 -18.073 -4.982 -2.405 1.00 1.00 N ATOM 1302 CA TYR A 77 -17.032 -5.838 -2.996 1.00 1.00 C ATOM 1303 C TYR A 77 -16.942 -5.516 -4.463 1.00 1.00 C ATOM 1304 O TYR A 77 -15.930 -5.034 -4.985 1.00 1.00 O ATOM 1305 CB TYR A 77 -17.439 -7.321 -2.899 1.00 1.00 C ATOM 1306 CG TYR A 77 -16.506 -8.283 -3.623 1.00 1.00 C ATOM 1307 CD1 TYR A 77 -15.243 -8.547 -3.118 1.00 1.00 C ATOM 1308 CD2 TYR A 77 -16.883 -8.922 -4.810 1.00 1.00 C ATOM 1309 CE1 TYR A 77 -14.386 -9.426 -3.751 1.00 1.00 C ATOM 1310 CE2 TYR A 77 -16.024 -9.803 -5.449 1.00 1.00 C ATOM 1311 CZ TYR A 77 -14.776 -10.042 -4.920 1.00 1.00 C ATOM 1312 OH TYR A 77 -13.917 -10.914 -5.552 1.00 1.00 O ATOM 0 H TYR A 77 -18.820 -5.489 -1.931 1.00 1.00 H new ATOM 0 HA TYR A 77 -16.093 -5.666 -2.470 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -17.486 -7.603 -1.847 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -18.444 -7.436 -3.305 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -14.922 -8.056 -2.211 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -17.857 -8.726 -5.234 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -13.412 -9.630 -3.331 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -16.333 -10.299 -6.357 1.00 1.00 H new ATOM 0 HH TYR A 77 -14.343 -11.264 -6.362 1.00 1.00 H new ATOM 1322 N ARG A 78 -18.085 -5.745 -5.085 1.00 1.00 N ATOM 1323 CA ARG A 78 -18.293 -5.573 -6.483 1.00 1.00 C ATOM 1324 C ARG A 78 -18.086 -4.149 -6.945 1.00 1.00 C ATOM 1325 O ARG A 78 -17.437 -3.912 -7.954 1.00 1.00 O ATOM 1326 CB ARG A 78 -19.727 -5.979 -6.781 1.00 1.00 C ATOM 1327 CG ARG A 78 -20.015 -7.443 -6.520 1.00 1.00 C ATOM 1328 CD ARG A 78 -21.490 -7.764 -6.748 1.00 1.00 C ATOM 1329 NE ARG A 78 -21.952 -7.345 -8.082 1.00 1.00 N ATOM 1330 CZ ARG A 78 -23.182 -7.005 -8.369 1.00 1.00 C ATOM 1331 NH1 ARG A 78 -24.116 -7.094 -7.480 1.00 1.00 N ATOM 1332 NH2 ARG A 78 -23.474 -6.593 -9.564 1.00 1.00 N ATOM 0 H ARG A 78 -18.919 -6.069 -4.595 1.00 1.00 H new ATOM 0 HA ARG A 78 -17.564 -6.185 -7.013 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -20.400 -5.372 -6.175 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -19.949 -5.755 -7.824 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -19.400 -8.060 -7.175 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -19.740 -7.694 -5.496 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -21.649 -8.836 -6.631 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -22.090 -7.268 -5.985 1.00 1.00 H new ATOM 0 HE ARG A 78 -21.265 -7.318 -8.835 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -23.898 -7.432 -6.543 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -25.072 -6.826 -7.716 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -22.746 -6.535 -10.276 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -24.432 -6.327 -9.792 1.00 1.00 H new ATOM 1346 N ALA A 79 -18.614 -3.195 -6.210 1.00 1.00 N ATOM 1347 CA ALA A 79 -18.496 -1.826 -6.653 1.00 1.00 C ATOM 1348 C ALA A 79 -17.127 -1.228 -6.359 1.00 1.00 C ATOM 1349 O ALA A 79 -16.655 -0.389 -7.108 1.00 1.00 O ATOM 1350 CB ALA A 79 -19.616 -0.965 -6.118 1.00 1.00 C ATOM 0 H ALA A 79 -19.113 -3.334 -5.332 1.00 1.00 H new ATOM 0 HA ALA A 79 -18.593 -1.844 -7.739 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -19.491 0.058 -6.474 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -20.573 -1.355 -6.465 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -19.594 -0.975 -5.028 1.00 1.00 H new ATOM 1356 N LEU A 80 -16.458 -1.653 -5.304 1.00 1.00 N ATOM 1357 CA LEU A 80 -15.146 -1.101 -5.050 1.00 1.00 C ATOM 1358 C LEU A 80 -14.144 -1.680 -6.048 1.00 1.00 C ATOM 1359 O LEU A 80 -13.153 -1.041 -6.387 1.00 1.00 O ATOM 1360 CB LEU A 80 -14.703 -1.338 -3.617 1.00 1.00 C ATOM 1361 CG LEU A 80 -13.356 -0.721 -3.234 1.00 1.00 C ATOM 1362 CD1 LEU A 80 -13.384 0.796 -3.380 1.00 1.00 C ATOM 1363 CD2 LEU A 80 -13.006 -1.110 -1.812 1.00 1.00 C ATOM 0 H LEU A 80 -16.785 -2.350 -4.635 1.00 1.00 H new ATOM 0 HA LEU A 80 -15.193 -0.020 -5.185 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -15.468 -0.942 -2.948 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -14.653 -2.413 -3.443 1.00 1.00 H new ATOM 0 HG LEU A 80 -12.593 -1.104 -3.911 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -12.414 1.206 -3.101 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -13.605 1.058 -4.415 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -14.154 1.210 -2.729 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -12.046 -0.670 -1.540 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -13.778 -0.745 -1.134 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -12.942 -2.196 -1.737 1.00 1.00 H new ATOM 1375 N ILE A 81 -14.417 -2.870 -6.571 1.00 1.00 N ATOM 1376 CA ILE A 81 -13.495 -3.429 -7.552 1.00 1.00 C ATOM 1377 C ILE A 81 -13.736 -2.728 -8.880 1.00 1.00 C ATOM 1378 O ILE A 81 -12.823 -2.519 -9.682 1.00 1.00 O ATOM 1379 CB ILE A 81 -13.534 -4.983 -7.670 1.00 1.00 C ATOM 1380 CG1 ILE A 81 -14.891 -5.566 -8.102 1.00 1.00 C ATOM 1381 CG2 ILE A 81 -13.140 -5.573 -6.330 1.00 1.00 C ATOM 1382 CD1 ILE A 81 -15.122 -5.589 -9.599 1.00 1.00 C ATOM 0 H ILE A 81 -15.230 -3.444 -6.346 1.00 1.00 H new ATOM 0 HA ILE A 81 -12.478 -3.239 -7.208 1.00 1.00 H new ATOM 0 HB ILE A 81 -12.836 -5.251 -8.463 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -14.972 -6.584 -7.720 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -15.686 -4.985 -7.634 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -13.161 -6.661 -6.391 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -12.134 -5.244 -6.069 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -13.841 -5.239 -5.565 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -16.103 -6.016 -9.809 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -15.077 -4.572 -9.990 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -14.352 -6.195 -10.077 1.00 1.00 H new ATOM 1394 N GLU A 82 -14.982 -2.324 -9.079 1.00 1.00 N ATOM 1395 CA GLU A 82 -15.372 -1.578 -10.254 1.00 1.00 C ATOM 1396 C GLU A 82 -14.859 -0.124 -10.152 1.00 1.00 C ATOM 1397 O GLU A 82 -14.367 0.435 -11.126 1.00 1.00 O ATOM 1398 CB GLU A 82 -16.897 -1.630 -10.401 1.00 1.00 C ATOM 1399 CG GLU A 82 -17.439 -0.875 -11.601 1.00 1.00 C ATOM 1400 CD GLU A 82 -18.874 -1.248 -11.907 1.00 1.00 C ATOM 1401 OE1 GLU A 82 -19.784 -0.728 -11.232 1.00 1.00 O ATOM 1402 OE2 GLU A 82 -19.085 -2.090 -12.815 1.00 1.00 O ATOM 0 H GLU A 82 -15.746 -2.507 -8.428 1.00 1.00 H new ATOM 0 HA GLU A 82 -14.925 -2.022 -11.144 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -17.207 -2.672 -10.473 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -17.351 -1.224 -9.497 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -17.375 0.197 -11.413 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -16.817 -1.084 -12.471 1.00 1.00 H new ATOM 1409 N LYS A 83 -14.925 0.463 -8.950 1.00 1.00 N ATOM 1410 CA LYS A 83 -14.462 1.849 -8.739 1.00 1.00 C ATOM 1411 C LYS A 83 -12.928 1.958 -8.770 1.00 1.00 C ATOM 1412 O LYS A 83 -12.381 2.945 -9.253 1.00 1.00 O ATOM 1413 CB LYS A 83 -14.991 2.412 -7.414 1.00 1.00 C ATOM 1414 CG LYS A 83 -16.505 2.577 -7.381 1.00 1.00 C ATOM 1415 CD LYS A 83 -16.982 3.095 -6.031 1.00 1.00 C ATOM 1416 CE LYS A 83 -18.500 3.143 -5.950 1.00 1.00 C ATOM 1417 NZ LYS A 83 -18.970 3.615 -4.618 1.00 1.00 N ATOM 0 H LYS A 83 -15.290 0.008 -8.113 1.00 1.00 H new ATOM 0 HA LYS A 83 -14.861 2.439 -9.564 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -14.688 1.751 -6.602 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -14.525 3.379 -7.228 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -16.814 3.267 -8.166 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -16.981 1.620 -7.593 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -16.596 2.454 -5.238 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -16.577 4.092 -5.860 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -18.884 3.805 -6.726 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -18.906 2.151 -6.148 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -19.973 3.367 -4.496 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -18.407 3.161 -3.870 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -18.859 4.647 -4.556 1.00 1.00 H new ATOM 1431 N LEU A 84 -12.229 0.957 -8.242 1.00 1.00 N ATOM 1432 CA LEU A 84 -10.762 0.981 -8.265 1.00 1.00 C ATOM 1433 C LEU A 84 -10.234 0.518 -9.624 1.00 1.00 C ATOM 1434 O LEU A 84 -9.094 0.793 -9.983 1.00 1.00 O ATOM 1435 CB LEU A 84 -10.172 0.098 -7.161 1.00 1.00 C ATOM 1436 CG LEU A 84 -10.446 0.555 -5.725 1.00 1.00 C ATOM 1437 CD1 LEU A 84 -9.828 -0.423 -4.739 1.00 1.00 C ATOM 1438 CD2 LEU A 84 -9.907 1.958 -5.484 1.00 1.00 C ATOM 0 H LEU A 84 -12.639 0.134 -7.801 1.00 1.00 H new ATOM 0 HA LEU A 84 -10.452 2.011 -8.090 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -10.563 -0.912 -7.282 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -9.093 0.041 -7.305 1.00 1.00 H new ATOM 0 HG LEU A 84 -11.525 0.578 -5.575 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -10.029 -0.089 -3.721 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -10.261 -1.412 -4.888 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -8.751 -0.470 -4.900 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -10.116 2.256 -4.457 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -8.830 1.968 -5.653 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -10.389 2.655 -6.169 1.00 1.00 H new ATOM 1450 N GLY A 85 -11.067 -0.195 -10.375 1.00 1.00 N ATOM 1451 CA GLY A 85 -10.646 -0.680 -11.680 1.00 1.00 C ATOM 1452 C GLY A 85 -9.750 -1.883 -11.541 1.00 1.00 C ATOM 1453 O GLY A 85 -8.644 -1.931 -12.049 1.00 1.00 O ATOM 0 H GLY A 85 -12.019 -0.445 -10.108 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -11.521 -0.940 -12.276 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -10.120 0.111 -12.214 1.00 1.00 H new ATOM 1457 N ILE A 86 -10.258 -2.853 -10.843 1.00 1.00 N ATOM 1458 CA ILE A 86 -9.519 -4.064 -10.558 1.00 1.00 C ATOM 1459 C ILE A 86 -9.740 -5.172 -11.638 1.00 1.00 C ATOM 1460 O ILE A 86 -8.905 -6.064 -11.814 1.00 1.00 O ATOM 1461 CB ILE A 86 -9.934 -4.516 -9.145 1.00 1.00 C ATOM 1462 CG1 ILE A 86 -9.168 -3.685 -8.085 1.00 1.00 C ATOM 1463 CG2 ILE A 86 -9.752 -6.011 -8.940 1.00 1.00 C ATOM 1464 CD1 ILE A 86 -9.534 -4.005 -6.646 1.00 1.00 C ATOM 0 H ILE A 86 -11.199 -2.835 -10.450 1.00 1.00 H new ATOM 0 HA ILE A 86 -8.447 -3.871 -10.592 1.00 1.00 H new ATOM 0 HB ILE A 86 -11.001 -4.330 -9.026 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -8.098 -3.847 -8.219 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -9.355 -2.627 -8.267 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -10.058 -6.280 -7.929 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -10.363 -6.554 -9.661 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -8.704 -6.273 -9.083 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -8.950 -3.377 -5.974 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -10.596 -3.815 -6.490 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -9.319 -5.054 -6.441 1.00 1.00 H new ATOM 1476 N ARG A 87 -10.865 -5.093 -12.378 1.00 1.00 N ATOM 1477 CA ARG A 87 -11.170 -6.061 -13.460 1.00 1.00 C ATOM 1478 C ARG A 87 -10.107 -5.929 -14.462 1.00 1.00 C ATOM 1479 O ARG A 87 -9.794 -6.895 -15.226 1.00 1.00 O ATOM 1480 CB ARG A 87 -12.529 -5.807 -14.088 1.00 1.00 C ATOM 1481 CG ARG A 87 -13.700 -6.040 -13.138 1.00 1.00 C ATOM 1482 CD ARG A 87 -14.993 -5.592 -13.804 1.00 1.00 C ATOM 1483 NE ARG A 87 -16.170 -5.734 -12.944 1.00 1.00 N ATOM 1484 CZ ARG A 87 -17.131 -4.842 -12.827 1.00 1.00 C ATOM 1485 NH1 ARG A 87 -17.096 -3.728 -13.481 1.00 1.00 N ATOM 1486 NH2 ARG A 87 -18.124 -5.072 -12.044 1.00 1.00 N ATOM 0 H ARG A 87 -11.576 -4.373 -12.250 1.00 1.00 H new ATOM 0 HA ARG A 87 -11.209 -7.071 -13.052 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -12.565 -4.779 -14.449 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -12.644 -6.455 -14.957 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -13.762 -7.095 -12.873 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -13.546 -5.487 -12.211 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -14.896 -4.549 -14.105 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -15.145 -6.173 -14.714 1.00 1.00 H new ATOM 0 HE ARG A 87 -16.251 -6.589 -12.394 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -16.313 -3.526 -14.103 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -17.851 -3.051 -13.376 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -18.166 -5.944 -11.516 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -18.870 -4.383 -11.951 1.00 1.00 H new ATOM 1500 N GLY A 88 -9.645 -4.745 -14.683 1.00 1.00 N ATOM 1501 CA GLY A 88 -8.519 -4.706 -15.486 1.00 1.00 C ATOM 1502 C GLY A 88 -7.598 -3.558 -15.233 1.00 1.00 C ATOM 1503 O GLY A 88 -6.437 -3.819 -14.905 1.00 1.00 O ATOM 1504 OXT GLY A 88 -7.979 -2.373 -15.554 1.00 1.00 O ATOM 0 H GLY A 88 -10.013 -3.859 -14.337 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.963 -5.634 -15.351 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -8.836 -4.674 -16.528 1.00 1.00 H new TER 1508 GLY A 88