USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 541 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 3 ASN : amide:sc= -0.695 X(o=-0.69,f=-0.28) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 10 GLN : amide:sc= -0.91 K(o=-0.91,f=-1.5) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.566 K(o=-0.57,f=-3.8!) USER MOD Single : A 14 MET CE :methyl -167:sc= 0 (180deg=-0.257) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.106) USER MOD Single : A 17 THR OG1 : rot -58:sc= 0.335 USER MOD Single : A 19 THR OG1 : rot -21:sc= 0.662 USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 1.01 (180deg=0.867) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.738 K(o=-0.74,f=-2.2!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 40:sc= 0.517 USER MOD Single : A 50 ASN : amide:sc= -1.69 K(o=-1.7,f=-11!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0698 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.46 K(o=-0.46,f=-1.9) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -3.247 -31.967 -7.037 1.00 1.20 N ATOM 2 CA PRO A 1 -2.536 -32.119 -5.764 1.00 62.32 C ATOM 3 C PRO A 1 -1.208 -31.369 -5.748 1.00 54.03 C ATOM 4 O PRO A 1 -0.148 -31.960 -5.956 1.00 13.43 O ATOM 5 CB PRO A 1 -2.298 -33.628 -5.669 1.00 72.53 C ATOM 6 CG PRO A 1 -2.301 -34.102 -7.082 1.00 33.02 C ATOM 7 CD PRO A 1 -3.274 -33.218 -7.813 1.00 22.23 C ATOM 0 H2 PRO A 1 -2.799 -31.236 -7.589 1.00 1.20 H new ATOM 0 H3 PRO A 1 -4.203 -31.661 -6.856 1.00 1.20 H new ATOM 0 HA PRO A 1 -3.104 -31.709 -4.929 1.00 62.32 H new ATOM 0 HB2 PRO A 1 -1.350 -33.849 -5.179 1.00 72.53 H new ATOM 0 HB3 PRO A 1 -3.079 -34.116 -5.086 1.00 72.53 H new ATOM 0 HG2 PRO A 1 -1.305 -34.032 -7.519 1.00 33.02 H new ATOM 0 HG3 PRO A 1 -2.602 -35.148 -7.142 1.00 33.02 H new ATOM 0 HD2 PRO A 1 -2.971 -33.056 -8.847 1.00 22.23 H new ATOM 0 HD3 PRO A 1 -4.273 -33.654 -7.838 1.00 22.23 H new ATOM 15 N ARG A 2 -1.274 -30.065 -5.500 1.00 50.04 N ATOM 16 CA ARG A 2 -0.077 -29.234 -5.458 1.00 63.12 C ATOM 17 C ARG A 2 -0.224 -28.120 -4.426 1.00 32.11 C ATOM 18 O ARG A 2 -1.247 -27.438 -4.376 1.00 63.02 O ATOM 19 CB ARG A 2 0.201 -28.633 -6.837 1.00 44.31 C ATOM 20 CG ARG A 2 1.560 -27.959 -6.945 1.00 73.31 C ATOM 21 CD ARG A 2 1.945 -27.711 -8.395 1.00 55.31 C ATOM 22 NE ARG A 2 3.377 -27.472 -8.548 1.00 62.40 N ATOM 23 CZ ARG A 2 3.958 -26.303 -8.305 1.00 13.42 C ATOM 24 NH1 ARG A 2 3.232 -25.270 -7.899 1.00 34.10 N ATOM 25 NH2 ARG A 2 5.267 -26.164 -8.467 1.00 44.11 N ATOM 0 H ARG A 2 -2.144 -29.561 -5.325 1.00 50.04 H new ATOM 0 HA ARG A 2 0.763 -29.865 -5.168 1.00 63.12 H new ATOM 0 HB2 ARG A 2 0.135 -29.421 -7.587 1.00 44.31 H new ATOM 0 HB3 ARG A 2 -0.576 -27.905 -7.070 1.00 44.31 H new ATOM 0 HG2 ARG A 2 1.542 -27.012 -6.405 1.00 73.31 H new ATOM 0 HG3 ARG A 2 2.316 -28.583 -6.468 1.00 73.31 H new ATOM 0 HD2 ARG A 2 1.654 -28.570 -8.999 1.00 55.31 H new ATOM 0 HD3 ARG A 2 1.392 -26.852 -8.775 1.00 55.31 H new ATOM 0 HE ARG A 2 3.964 -28.246 -8.859 1.00 62.40 H new ATOM 0 HH11 ARG A 2 2.225 -25.373 -7.773 1.00 34.10 H new ATOM 0 HH12 ARG A 2 3.681 -24.373 -7.713 1.00 34.10 H new ATOM 0 HH21 ARG A 2 5.829 -26.956 -8.779 1.00 44.11 H new ATOM 0 HH22 ARG A 2 5.711 -25.265 -8.280 1.00 44.11 H new ATOM 39 N ASN A 3 0.805 -27.943 -3.603 1.00 54.23 N ATOM 40 CA ASN A 3 0.789 -26.912 -2.571 1.00 61.52 C ATOM 41 C ASN A 3 2.070 -26.085 -2.610 1.00 0.52 C ATOM 42 O ASN A 3 3.128 -26.575 -3.005 1.00 43.34 O ATOM 43 CB ASN A 3 0.621 -27.548 -1.190 1.00 13.25 C ATOM 44 CG ASN A 3 1.359 -28.867 -1.066 1.00 3.43 C ATOM 45 OD1 ASN A 3 0.869 -29.909 -1.500 1.00 54.33 O ATOM 46 ND2 ASN A 3 2.545 -28.826 -0.470 1.00 65.51 N ATOM 0 H ASN A 3 1.659 -28.499 -3.631 1.00 54.23 H new ATOM 0 HA ASN A 3 -0.056 -26.251 -2.765 1.00 61.52 H new ATOM 0 HB2 ASN A 3 0.985 -26.858 -0.429 1.00 13.25 H new ATOM 0 HB3 ASN A 3 -0.439 -27.708 -0.994 1.00 13.25 H new ATOM 0 HD21 ASN A 3 3.089 -29.682 -0.357 1.00 65.51 H new ATOM 0 HD22 ASN A 3 2.912 -27.939 -0.125 1.00 65.51 H new ATOM 53 N THR A 4 1.967 -24.825 -2.196 1.00 22.45 N ATOM 54 CA THR A 4 3.116 -23.929 -2.183 1.00 10.31 C ATOM 55 C THR A 4 4.076 -24.281 -1.053 1.00 21.05 C ATOM 56 O THR A 4 5.271 -23.993 -1.128 1.00 33.22 O ATOM 57 CB THR A 4 2.680 -22.459 -2.032 1.00 31.15 C ATOM 58 OG1 THR A 4 1.604 -22.362 -1.091 1.00 44.32 O ATOM 59 CG2 THR A 4 2.243 -21.884 -3.370 1.00 45.53 C ATOM 0 H THR A 4 1.099 -24.403 -1.865 1.00 22.45 H new ATOM 0 HA THR A 4 3.624 -24.054 -3.139 1.00 10.31 H new ATOM 0 HB THR A 4 3.533 -21.885 -1.669 1.00 31.15 H new ATOM 0 HG1 THR A 4 1.333 -21.425 -0.999 1.00 44.32 H new ATOM 0 HG21 THR A 4 1.940 -20.845 -3.238 1.00 45.53 H new ATOM 0 HG22 THR A 4 3.072 -21.933 -4.075 1.00 45.53 H new ATOM 0 HG23 THR A 4 1.403 -22.461 -3.757 1.00 45.53 H new ATOM 67 N ARG A 5 3.547 -24.906 -0.006 1.00 33.01 N ATOM 68 CA ARG A 5 4.358 -25.297 1.141 1.00 74.22 C ATOM 69 C ARG A 5 5.520 -26.185 0.707 1.00 44.11 C ATOM 70 O ARG A 5 6.557 -26.233 1.369 1.00 73.25 O ATOM 71 CB ARG A 5 3.499 -26.031 2.173 1.00 63.12 C ATOM 72 CG ARG A 5 2.330 -25.208 2.689 1.00 42.05 C ATOM 73 CD ARG A 5 2.799 -23.896 3.299 1.00 33.41 C ATOM 74 NE ARG A 5 3.661 -24.109 4.459 1.00 74.44 N ATOM 75 CZ ARG A 5 3.993 -23.149 5.313 1.00 3.44 C ATOM 76 NH1 ARG A 5 3.538 -21.915 5.140 1.00 63.43 N ATOM 77 NH2 ARG A 5 4.782 -23.421 6.345 1.00 3.30 N ATOM 0 H ARG A 5 2.560 -25.152 0.072 1.00 33.01 H new ATOM 0 HA ARG A 5 4.764 -24.392 1.593 1.00 74.22 H new ATOM 0 HB2 ARG A 5 3.117 -26.950 1.728 1.00 63.12 H new ATOM 0 HB3 ARG A 5 4.127 -26.322 3.015 1.00 63.12 H new ATOM 0 HG2 ARG A 5 1.638 -25.004 1.872 1.00 42.05 H new ATOM 0 HG3 ARG A 5 1.781 -25.782 3.435 1.00 42.05 H new ATOM 0 HD2 ARG A 5 3.338 -23.319 2.548 1.00 33.41 H new ATOM 0 HD3 ARG A 5 1.933 -23.304 3.595 1.00 33.41 H new ATOM 0 HE ARG A 5 4.028 -25.047 4.621 1.00 74.44 H new ATOM 0 HH11 ARG A 5 2.931 -21.702 4.349 1.00 63.43 H new ATOM 0 HH12 ARG A 5 3.795 -21.180 5.798 1.00 63.43 H new ATOM 0 HH21 ARG A 5 5.134 -24.369 6.482 1.00 3.30 H new ATOM 0 HH22 ARG A 5 5.037 -22.682 7.001 1.00 3.30 H new ATOM 91 N GLU A 6 5.339 -26.885 -0.408 1.00 64.54 N ATOM 92 CA GLU A 6 6.373 -27.772 -0.929 1.00 23.21 C ATOM 93 C GLU A 6 7.281 -27.034 -1.908 1.00 51.34 C ATOM 94 O GLU A 6 7.574 -27.530 -2.996 1.00 71.41 O ATOM 95 CB GLU A 6 5.739 -28.982 -1.618 1.00 21.54 C ATOM 96 CG GLU A 6 6.717 -30.116 -1.879 1.00 11.15 C ATOM 97 CD GLU A 6 6.870 -31.041 -0.687 1.00 13.45 C ATOM 98 OE1 GLU A 6 7.433 -30.599 0.337 1.00 34.54 O ATOM 99 OE2 GLU A 6 6.427 -32.205 -0.777 1.00 41.43 O ATOM 0 H GLU A 6 4.487 -26.855 -0.968 1.00 64.54 H new ATOM 0 HA GLU A 6 6.977 -28.116 -0.089 1.00 23.21 H new ATOM 0 HB2 GLU A 6 4.921 -29.354 -1.001 1.00 21.54 H new ATOM 0 HB3 GLU A 6 5.304 -28.663 -2.565 1.00 21.54 H new ATOM 0 HG2 GLU A 6 6.378 -30.692 -2.740 1.00 11.15 H new ATOM 0 HG3 GLU A 6 7.690 -29.699 -2.138 1.00 11.15 H new ATOM 106 N VAL A 7 7.723 -25.843 -1.515 1.00 35.34 N ATOM 107 CA VAL A 7 8.597 -25.035 -2.356 1.00 70.53 C ATOM 108 C VAL A 7 9.786 -25.850 -2.855 1.00 13.44 C ATOM 109 O VAL A 7 10.302 -25.610 -3.946 1.00 45.40 O ATOM 110 CB VAL A 7 9.117 -23.798 -1.601 1.00 31.03 C ATOM 111 CG1 VAL A 7 7.962 -22.894 -1.198 1.00 51.20 C ATOM 112 CG2 VAL A 7 9.925 -24.219 -0.383 1.00 2.33 C ATOM 0 H VAL A 7 7.489 -25.417 -0.618 1.00 35.34 H new ATOM 0 HA VAL A 7 8.002 -24.707 -3.208 1.00 70.53 H new ATOM 0 HB VAL A 7 9.772 -23.236 -2.267 1.00 31.03 H new ATOM 0 HG11 VAL A 7 8.349 -22.025 -0.666 1.00 51.20 H new ATOM 0 HG12 VAL A 7 7.429 -22.565 -2.090 1.00 51.20 H new ATOM 0 HG13 VAL A 7 7.280 -23.443 -0.549 1.00 51.20 H new ATOM 0 HG21 VAL A 7 10.285 -23.332 0.139 1.00 2.33 H new ATOM 0 HG22 VAL A 7 9.295 -24.804 0.287 1.00 2.33 H new ATOM 0 HG23 VAL A 7 10.775 -24.823 -0.701 1.00 2.33 H new ATOM 122 N PHE A 8 10.215 -26.814 -2.048 1.00 30.42 N ATOM 123 CA PHE A 8 11.344 -27.665 -2.406 1.00 51.13 C ATOM 124 C PHE A 8 11.135 -28.296 -3.780 1.00 40.40 C ATOM 125 O PHE A 8 12.095 -28.587 -4.493 1.00 75.41 O ATOM 126 CB PHE A 8 11.540 -28.759 -1.355 1.00 34.02 C ATOM 127 CG PHE A 8 12.407 -28.336 -0.204 1.00 11.02 C ATOM 128 CD1 PHE A 8 12.107 -27.196 0.524 1.00 1.04 C ATOM 129 CD2 PHE A 8 13.522 -29.078 0.150 1.00 64.14 C ATOM 130 CE1 PHE A 8 12.903 -26.804 1.584 1.00 30.14 C ATOM 131 CE2 PHE A 8 14.322 -28.691 1.209 1.00 75.42 C ATOM 132 CZ PHE A 8 14.012 -27.552 1.926 1.00 22.43 C ATOM 0 H PHE A 8 9.798 -27.026 -1.141 1.00 30.42 H new ATOM 0 HA PHE A 8 12.238 -27.043 -2.443 1.00 51.13 H new ATOM 0 HB2 PHE A 8 10.566 -29.063 -0.973 1.00 34.02 H new ATOM 0 HB3 PHE A 8 11.983 -29.634 -1.831 1.00 34.02 H new ATOM 0 HD1 PHE A 8 11.241 -26.607 0.260 1.00 1.04 H new ATOM 0 HD2 PHE A 8 13.769 -29.969 -0.408 1.00 64.14 H new ATOM 0 HE1 PHE A 8 12.658 -25.914 2.144 1.00 30.14 H new ATOM 0 HE2 PHE A 8 15.188 -29.279 1.475 1.00 75.42 H new ATOM 0 HZ PHE A 8 14.636 -27.247 2.753 1.00 22.43 H new ATOM 142 N ALA A 9 9.874 -28.503 -4.143 1.00 73.44 N ATOM 143 CA ALA A 9 9.538 -29.098 -5.431 1.00 52.23 C ATOM 144 C ALA A 9 10.211 -28.346 -6.575 1.00 32.51 C ATOM 145 O ALA A 9 10.496 -28.923 -7.624 1.00 44.31 O ATOM 146 CB ALA A 9 8.029 -29.118 -5.626 1.00 11.41 C ATOM 0 H ALA A 9 9.068 -28.268 -3.564 1.00 73.44 H new ATOM 0 HA ALA A 9 9.908 -30.123 -5.437 1.00 52.23 H new ATOM 0 HB1 ALA A 9 7.793 -29.565 -6.592 1.00 11.41 H new ATOM 0 HB2 ALA A 9 7.567 -29.705 -4.832 1.00 11.41 H new ATOM 0 HB3 ALA A 9 7.644 -28.099 -5.594 1.00 11.41 H new ATOM 152 N GLN A 10 10.460 -27.058 -6.365 1.00 22.04 N ATOM 153 CA GLN A 10 11.098 -26.228 -7.380 1.00 25.43 C ATOM 154 C GLN A 10 12.504 -26.733 -7.690 1.00 52.13 C ATOM 155 O GLN A 10 12.981 -26.616 -8.819 1.00 5.51 O ATOM 156 CB GLN A 10 11.158 -24.772 -6.915 1.00 74.22 C ATOM 157 CG GLN A 10 12.204 -24.518 -5.842 1.00 14.02 C ATOM 158 CD GLN A 10 11.808 -23.404 -4.893 1.00 53.54 C ATOM 159 OE1 GLN A 10 11.938 -23.533 -3.676 1.00 34.42 O ATOM 160 NE2 GLN A 10 11.321 -22.299 -5.448 1.00 24.14 N ATOM 0 H GLN A 10 10.230 -26.566 -5.501 1.00 22.04 H new ATOM 0 HA GLN A 10 10.501 -26.287 -8.290 1.00 25.43 H new ATOM 0 HB2 GLN A 10 11.368 -24.134 -7.773 1.00 74.22 H new ATOM 0 HB3 GLN A 10 10.180 -24.481 -6.533 1.00 74.22 H new ATOM 0 HG2 GLN A 10 12.366 -25.434 -5.274 1.00 14.02 H new ATOM 0 HG3 GLN A 10 13.152 -24.266 -6.317 1.00 14.02 H new ATOM 0 HE21 GLN A 10 11.230 -22.235 -6.462 1.00 24.14 H new ATOM 0 HE22 GLN A 10 11.038 -21.515 -4.860 1.00 24.14 H new ATOM 169 N VAL A 11 13.162 -27.295 -6.681 1.00 41.43 N ATOM 170 CA VAL A 11 14.513 -27.818 -6.847 1.00 11.23 C ATOM 171 C VAL A 11 14.571 -28.841 -7.975 1.00 65.31 C ATOM 172 O VAL A 11 15.319 -28.677 -8.940 1.00 13.23 O ATOM 173 CB VAL A 11 15.025 -28.471 -5.549 1.00 53.10 C ATOM 174 CG1 VAL A 11 16.438 -28.999 -5.738 1.00 64.34 C ATOM 175 CG2 VAL A 11 14.967 -27.480 -4.396 1.00 30.31 C ATOM 0 H VAL A 11 12.782 -27.400 -5.740 1.00 41.43 H new ATOM 0 HA VAL A 11 15.152 -26.971 -7.096 1.00 11.23 H new ATOM 0 HB VAL A 11 14.378 -29.314 -5.307 1.00 53.10 H new ATOM 0 HG11 VAL A 11 16.783 -29.457 -4.811 1.00 64.34 H new ATOM 0 HG12 VAL A 11 16.445 -29.743 -6.534 1.00 64.34 H new ATOM 0 HG13 VAL A 11 17.101 -28.176 -6.005 1.00 64.34 H new ATOM 0 HG21 VAL A 11 15.332 -27.958 -3.487 1.00 30.31 H new ATOM 0 HG22 VAL A 11 15.590 -26.616 -4.627 1.00 30.31 H new ATOM 0 HG23 VAL A 11 13.937 -27.155 -4.247 1.00 30.31 H new ATOM 185 N LYS A 12 13.778 -29.899 -7.849 1.00 33.35 N ATOM 186 CA LYS A 12 13.736 -30.951 -8.858 1.00 4.40 C ATOM 187 C LYS A 12 13.497 -30.364 -10.245 1.00 52.33 C ATOM 188 O LYS A 12 14.005 -30.877 -11.242 1.00 35.22 O ATOM 189 CB LYS A 12 12.639 -31.963 -8.525 1.00 33.45 C ATOM 190 CG LYS A 12 12.716 -33.237 -9.348 1.00 73.14 C ATOM 191 CD LYS A 12 11.538 -34.155 -9.067 1.00 71.13 C ATOM 192 CE LYS A 12 11.702 -35.500 -9.758 1.00 25.32 C ATOM 193 NZ LYS A 12 11.565 -35.385 -11.236 1.00 64.32 N ATOM 0 H LYS A 12 13.154 -30.051 -7.056 1.00 33.35 H new ATOM 0 HA LYS A 12 14.701 -31.458 -8.858 1.00 4.40 H new ATOM 0 HB2 LYS A 12 12.702 -32.219 -7.467 1.00 33.45 H new ATOM 0 HB3 LYS A 12 11.666 -31.497 -8.683 1.00 33.45 H new ATOM 0 HG2 LYS A 12 12.737 -32.985 -10.408 1.00 73.14 H new ATOM 0 HG3 LYS A 12 13.647 -33.759 -9.125 1.00 73.14 H new ATOM 0 HD2 LYS A 12 11.442 -34.306 -7.992 1.00 71.13 H new ATOM 0 HD3 LYS A 12 10.617 -33.681 -9.406 1.00 71.13 H new ATOM 0 HE2 LYS A 12 12.680 -35.916 -9.515 1.00 25.32 H new ATOM 0 HE3 LYS A 12 10.956 -36.197 -9.377 1.00 25.32 H new ATOM 0 HZ1 LYS A 12 11.683 -36.323 -11.670 1.00 64.32 H new ATOM 0 HZ2 LYS A 12 10.623 -35.012 -11.469 1.00 64.32 H new ATOM 0 HZ3 LYS A 12 12.293 -34.740 -11.603 1.00 64.32 H new ATOM 207 N GLN A 13 12.722 -29.285 -10.301 1.00 31.21 N ATOM 208 CA GLN A 13 12.417 -28.629 -11.567 1.00 13.13 C ATOM 209 C GLN A 13 13.696 -28.259 -12.310 1.00 52.04 C ATOM 210 O GLN A 13 13.770 -28.376 -13.533 1.00 62.41 O ATOM 211 CB GLN A 13 11.573 -27.376 -11.325 1.00 75.44 C ATOM 212 CG GLN A 13 10.812 -26.909 -12.556 1.00 35.33 C ATOM 213 CD GLN A 13 9.594 -27.763 -12.848 1.00 34.42 C ATOM 214 OE1 GLN A 13 9.690 -28.986 -12.955 1.00 31.33 O ATOM 215 NE2 GLN A 13 8.438 -27.122 -12.979 1.00 21.35 N ATOM 0 H GLN A 13 12.294 -28.847 -9.485 1.00 31.21 H new ATOM 0 HA GLN A 13 11.850 -29.328 -12.183 1.00 13.13 H new ATOM 0 HB2 GLN A 13 10.863 -27.576 -10.523 1.00 75.44 H new ATOM 0 HB3 GLN A 13 12.223 -26.571 -10.982 1.00 75.44 H new ATOM 0 HG2 GLN A 13 10.500 -25.874 -12.415 1.00 35.33 H new ATOM 0 HG3 GLN A 13 11.478 -26.926 -13.419 1.00 35.33 H new ATOM 0 HE21 GLN A 13 8.404 -26.107 -12.882 1.00 21.35 H new ATOM 0 HE22 GLN A 13 7.585 -27.645 -13.176 1.00 21.35 H new ATOM 224 N MET A 14 14.700 -27.811 -11.564 1.00 20.41 N ATOM 225 CA MET A 14 15.977 -27.425 -12.153 1.00 53.13 C ATOM 226 C MET A 14 17.064 -28.437 -11.806 1.00 42.40 C ATOM 227 O MET A 14 17.476 -29.234 -12.649 1.00 42.54 O ATOM 228 CB MET A 14 16.386 -26.033 -11.669 1.00 12.50 C ATOM 229 CG MET A 14 15.476 -24.923 -12.170 1.00 73.15 C ATOM 230 SD MET A 14 16.337 -23.350 -12.359 1.00 30.21 S ATOM 231 CE MET A 14 17.072 -23.170 -10.736 1.00 23.34 C ATOM 0 H MET A 14 14.654 -27.706 -10.550 1.00 20.41 H new ATOM 0 HA MET A 14 15.858 -27.404 -13.236 1.00 53.13 H new ATOM 0 HB2 MET A 14 16.391 -26.023 -10.579 1.00 12.50 H new ATOM 0 HB3 MET A 14 17.406 -25.830 -11.994 1.00 12.50 H new ATOM 0 HG2 MET A 14 15.047 -25.215 -13.128 1.00 73.15 H new ATOM 0 HG3 MET A 14 14.646 -24.797 -11.474 1.00 73.15 H new ATOM 0 HE1 MET A 14 17.441 -22.151 -10.614 1.00 23.34 H new ATOM 0 HE2 MET A 14 16.323 -23.378 -9.972 1.00 23.34 H new ATOM 0 HE3 MET A 14 17.901 -23.870 -10.632 1.00 23.34 H new ATOM 241 N TYR A 15 17.525 -28.399 -10.561 1.00 1.12 N ATOM 242 CA TYR A 15 18.567 -29.311 -10.103 1.00 51.35 C ATOM 243 C TYR A 15 19.781 -29.258 -11.026 1.00 11.41 C ATOM 244 O TYR A 15 20.508 -30.240 -11.173 1.00 73.44 O ATOM 245 CB TYR A 15 18.028 -30.740 -10.034 1.00 32.55 C ATOM 246 CG TYR A 15 18.457 -31.489 -8.792 1.00 35.21 C ATOM 247 CD1 TYR A 15 19.787 -31.505 -8.391 1.00 51.31 C ATOM 248 CD2 TYR A 15 17.532 -32.182 -8.020 1.00 51.21 C ATOM 249 CE1 TYR A 15 20.184 -32.188 -7.258 1.00 35.03 C ATOM 250 CE2 TYR A 15 17.919 -32.866 -6.885 1.00 22.44 C ATOM 251 CZ TYR A 15 19.246 -32.867 -6.508 1.00 10.24 C ATOM 252 OH TYR A 15 19.636 -33.549 -5.378 1.00 0.11 O ATOM 0 H TYR A 15 17.194 -27.746 -9.850 1.00 1.12 H new ATOM 0 HA TYR A 15 18.877 -28.998 -9.106 1.00 51.35 H new ATOM 0 HB2 TYR A 15 16.939 -30.711 -10.073 1.00 32.55 H new ATOM 0 HB3 TYR A 15 18.364 -31.289 -10.914 1.00 32.55 H new ATOM 0 HD1 TYR A 15 20.524 -30.974 -8.976 1.00 51.31 H new ATOM 0 HD2 TYR A 15 16.493 -32.185 -8.313 1.00 51.21 H new ATOM 0 HE1 TYR A 15 21.222 -32.190 -6.961 1.00 35.03 H new ATOM 0 HE2 TYR A 15 17.187 -33.398 -6.295 1.00 22.44 H new ATOM 0 HH TYR A 15 18.854 -33.972 -4.965 1.00 0.11 H new ATOM 262 N LYS A 16 19.995 -28.102 -11.645 1.00 51.42 N ATOM 263 CA LYS A 16 21.121 -27.916 -12.552 1.00 61.25 C ATOM 264 C LYS A 16 22.444 -28.171 -11.837 1.00 10.20 C ATOM 265 O LYS A 16 23.070 -27.246 -11.318 1.00 13.21 O ATOM 266 CB LYS A 16 21.107 -26.500 -13.133 1.00 23.13 C ATOM 267 CG LYS A 16 20.382 -26.395 -14.463 1.00 62.02 C ATOM 268 CD LYS A 16 18.874 -26.393 -14.278 1.00 1.43 C ATOM 269 CE LYS A 16 18.148 -26.475 -15.612 1.00 3.02 C ATOM 270 NZ LYS A 16 16.841 -25.762 -15.577 1.00 63.12 N ATOM 0 H LYS A 16 19.403 -27.279 -11.535 1.00 51.42 H new ATOM 0 HA LYS A 16 21.023 -28.636 -13.364 1.00 61.25 H new ATOM 0 HB2 LYS A 16 20.634 -25.827 -12.417 1.00 23.13 H new ATOM 0 HB3 LYS A 16 22.134 -26.159 -13.261 1.00 23.13 H new ATOM 0 HG2 LYS A 16 20.688 -25.482 -14.974 1.00 62.02 H new ATOM 0 HG3 LYS A 16 20.670 -27.230 -15.102 1.00 62.02 H new ATOM 0 HD2 LYS A 16 18.582 -27.236 -13.652 1.00 1.43 H new ATOM 0 HD3 LYS A 16 18.572 -25.486 -13.753 1.00 1.43 H new ATOM 0 HE2 LYS A 16 18.775 -26.046 -16.394 1.00 3.02 H new ATOM 0 HE3 LYS A 16 17.984 -27.521 -15.873 1.00 3.02 H new ATOM 0 HZ1 LYS A 16 16.095 -26.385 -15.947 1.00 63.12 H new ATOM 0 HZ2 LYS A 16 16.616 -25.497 -14.597 1.00 63.12 H new ATOM 0 HZ3 LYS A 16 16.898 -24.905 -16.163 1.00 63.12 H new ATOM 284 N THR A 17 22.866 -29.431 -11.814 1.00 22.30 N ATOM 285 CA THR A 17 24.115 -29.807 -11.163 1.00 34.32 C ATOM 286 C THR A 17 24.839 -30.895 -11.948 1.00 55.01 C ATOM 287 O THR A 17 25.377 -31.848 -11.384 1.00 12.20 O ATOM 288 CB THR A 17 23.871 -30.304 -9.725 1.00 50.12 C ATOM 289 OG1 THR A 17 22.908 -31.364 -9.730 1.00 2.14 O ATOM 290 CG2 THR A 17 23.381 -29.170 -8.837 1.00 33.41 C ATOM 0 H THR A 17 22.361 -30.209 -12.239 1.00 22.30 H new ATOM 0 HA THR A 17 24.736 -28.912 -11.130 1.00 34.32 H new ATOM 0 HB THR A 17 24.815 -30.674 -9.326 1.00 50.12 H new ATOM 0 HG1 THR A 17 22.072 -31.045 -10.130 1.00 2.14 H new ATOM 0 HG21 THR A 17 23.216 -29.544 -7.827 1.00 33.41 H new ATOM 0 HG22 THR A 17 24.129 -28.378 -8.812 1.00 33.41 H new ATOM 0 HG23 THR A 17 22.447 -28.774 -9.235 1.00 33.41 H new ATOM 298 N PRO A 18 24.854 -30.752 -13.282 1.00 22.13 N ATOM 299 CA PRO A 18 25.511 -31.713 -14.173 1.00 75.01 C ATOM 300 C PRO A 18 27.030 -31.671 -14.053 1.00 21.34 C ATOM 301 O PRO A 18 27.577 -30.985 -13.188 1.00 74.13 O ATOM 302 CB PRO A 18 25.072 -31.260 -15.568 1.00 1.31 C ATOM 303 CG PRO A 18 24.769 -29.809 -15.417 1.00 31.02 C ATOM 304 CD PRO A 18 24.233 -29.641 -14.022 1.00 31.10 C ATOM 0 HA PRO A 18 25.236 -32.741 -13.937 1.00 75.01 H new ATOM 0 HB2 PRO A 18 25.859 -31.426 -16.304 1.00 1.31 H new ATOM 0 HB3 PRO A 18 24.197 -31.814 -15.907 1.00 1.31 H new ATOM 0 HG2 PRO A 18 25.664 -29.206 -15.566 1.00 31.02 H new ATOM 0 HG3 PRO A 18 24.038 -29.484 -16.158 1.00 31.02 H new ATOM 0 HD2 PRO A 18 24.507 -28.674 -13.600 1.00 31.10 H new ATOM 0 HD3 PRO A 18 23.145 -29.702 -14.000 1.00 31.10 H new ATOM 312 N THR A 19 27.709 -32.410 -14.925 1.00 50.54 N ATOM 313 CA THR A 19 29.166 -32.457 -14.916 1.00 74.32 C ATOM 314 C THR A 19 29.698 -32.738 -13.516 1.00 33.44 C ATOM 315 O THR A 19 30.671 -32.125 -13.075 1.00 71.03 O ATOM 316 CB THR A 19 29.774 -31.138 -15.429 1.00 61.41 C ATOM 317 OG1 THR A 19 29.677 -30.129 -14.418 1.00 43.45 O ATOM 318 CG2 THR A 19 29.065 -30.670 -16.691 1.00 2.02 C ATOM 0 H THR A 19 27.273 -32.984 -15.647 1.00 50.54 H new ATOM 0 HA THR A 19 29.460 -33.267 -15.583 1.00 74.32 H new ATOM 0 HB THR A 19 30.823 -31.314 -15.666 1.00 61.41 H new ATOM 0 HG1 THR A 19 28.973 -30.371 -13.781 1.00 43.45 H new ATOM 0 HG21 THR A 19 29.512 -29.737 -17.035 1.00 2.02 H new ATOM 0 HG22 THR A 19 29.166 -31.428 -17.468 1.00 2.02 H new ATOM 0 HG23 THR A 19 28.009 -30.509 -16.476 1.00 2.02 H new ATOM 326 N LEU A 20 29.055 -33.669 -12.819 1.00 74.35 N ATOM 327 CA LEU A 20 29.464 -34.033 -11.467 1.00 42.23 C ATOM 328 C LEU A 20 30.380 -35.252 -11.485 1.00 61.31 C ATOM 329 O LEU A 20 30.488 -35.976 -10.495 1.00 74.41 O ATOM 330 CB LEU A 20 28.236 -34.316 -10.600 1.00 42.41 C ATOM 331 CG LEU A 20 27.302 -35.419 -11.099 1.00 1.24 C ATOM 332 CD1 LEU A 20 27.701 -36.763 -10.509 1.00 41.24 C ATOM 333 CD2 LEU A 20 25.857 -35.091 -10.753 1.00 10.43 C ATOM 0 H LEU A 20 28.248 -34.186 -13.168 1.00 74.35 H new ATOM 0 HA LEU A 20 30.015 -33.194 -11.042 1.00 42.23 H new ATOM 0 HB2 LEU A 20 28.576 -34.581 -9.599 1.00 42.41 H new ATOM 0 HB3 LEU A 20 27.661 -33.395 -10.508 1.00 42.41 H new ATOM 0 HG LEU A 20 27.390 -35.480 -12.184 1.00 1.24 H new ATOM 0 HD11 LEU A 20 27.025 -37.536 -10.875 1.00 41.24 H new ATOM 0 HD12 LEU A 20 28.722 -37.002 -10.807 1.00 41.24 H new ATOM 0 HD13 LEU A 20 27.642 -36.715 -9.422 1.00 41.24 H new ATOM 0 HD21 LEU A 20 25.206 -35.887 -11.116 1.00 10.43 H new ATOM 0 HD22 LEU A 20 25.753 -35.002 -9.672 1.00 10.43 H new ATOM 0 HD23 LEU A 20 25.575 -34.149 -11.223 1.00 10.43 H new ATOM 345 N LYS A 21 31.041 -35.473 -12.617 1.00 32.14 N ATOM 346 CA LYS A 21 31.951 -36.603 -12.764 1.00 1.53 C ATOM 347 C LYS A 21 33.062 -36.545 -11.720 1.00 61.40 C ATOM 348 O LYS A 21 33.684 -37.560 -11.405 1.00 71.41 O ATOM 349 CB LYS A 21 32.557 -36.616 -14.169 1.00 2.11 C ATOM 350 CG LYS A 21 33.690 -35.621 -14.352 1.00 63.11 C ATOM 351 CD LYS A 21 33.192 -34.188 -14.274 1.00 1.23 C ATOM 352 CE LYS A 21 34.071 -33.247 -15.084 1.00 21.13 C ATOM 353 NZ LYS A 21 35.512 -33.400 -14.740 1.00 32.24 N ATOM 0 H LYS A 21 30.963 -34.884 -13.446 1.00 32.14 H new ATOM 0 HA LYS A 21 31.381 -37.520 -12.612 1.00 1.53 H new ATOM 0 HB2 LYS A 21 32.926 -37.618 -14.387 1.00 2.11 H new ATOM 0 HB3 LYS A 21 31.774 -36.400 -14.895 1.00 2.11 H new ATOM 0 HG2 LYS A 21 34.448 -35.786 -13.586 1.00 63.11 H new ATOM 0 HG3 LYS A 21 34.170 -35.788 -15.316 1.00 63.11 H new ATOM 0 HD2 LYS A 21 32.167 -34.137 -14.642 1.00 1.23 H new ATOM 0 HD3 LYS A 21 33.173 -33.864 -13.233 1.00 1.23 H new ATOM 0 HE2 LYS A 21 33.929 -33.442 -16.147 1.00 21.13 H new ATOM 0 HE3 LYS A 21 33.762 -32.217 -14.905 1.00 21.13 H new ATOM 0 HZ1 LYS A 21 36.087 -32.830 -15.393 1.00 32.24 H new ATOM 0 HZ2 LYS A 21 35.672 -33.076 -13.765 1.00 32.24 H new ATOM 0 HZ3 LYS A 21 35.784 -34.400 -14.822 1.00 32.24 H new ATOM 367 N TYR A 22 33.305 -35.354 -11.186 1.00 43.33 N ATOM 368 CA TYR A 22 34.342 -35.165 -10.179 1.00 10.34 C ATOM 369 C TYR A 22 34.172 -36.154 -9.030 1.00 21.30 C ATOM 370 O TYR A 22 35.126 -36.813 -8.616 1.00 45.20 O ATOM 371 CB TYR A 22 34.306 -33.733 -9.642 1.00 41.41 C ATOM 372 CG TYR A 22 34.546 -32.682 -10.703 1.00 71.41 C ATOM 373 CD1 TYR A 22 33.519 -31.847 -11.125 1.00 43.35 C ATOM 374 CD2 TYR A 22 35.798 -32.526 -11.284 1.00 23.41 C ATOM 375 CE1 TYR A 22 33.733 -30.886 -12.095 1.00 63.11 C ATOM 376 CE2 TYR A 22 36.022 -31.568 -12.253 1.00 11.41 C ATOM 377 CZ TYR A 22 34.986 -30.750 -12.655 1.00 63.13 C ATOM 378 OH TYR A 22 35.205 -29.795 -13.621 1.00 54.24 O ATOM 0 H TYR A 22 32.798 -34.504 -11.434 1.00 43.33 H new ATOM 0 HA TYR A 22 35.308 -35.345 -10.651 1.00 10.34 H new ATOM 0 HB2 TYR A 22 33.337 -33.553 -9.177 1.00 41.41 H new ATOM 0 HB3 TYR A 22 35.059 -33.628 -8.861 1.00 41.41 H new ATOM 0 HD1 TYR A 22 32.537 -31.951 -10.688 1.00 43.35 H new ATOM 0 HD2 TYR A 22 36.611 -33.165 -10.972 1.00 23.41 H new ATOM 0 HE1 TYR A 22 32.924 -30.245 -12.413 1.00 63.11 H new ATOM 0 HE2 TYR A 22 37.002 -31.460 -12.694 1.00 11.41 H new ATOM 0 HH TYR A 22 36.141 -29.831 -13.910 1.00 54.24 H new ATOM 388 N PHE A 23 32.949 -36.254 -8.520 1.00 2.05 N ATOM 389 CA PHE A 23 32.652 -37.163 -7.418 1.00 41.43 C ATOM 390 C PHE A 23 32.092 -38.483 -7.939 1.00 22.22 C ATOM 391 O PHE A 23 31.305 -39.146 -7.264 1.00 5.32 O ATOM 392 CB PHE A 23 31.655 -36.519 -6.452 1.00 45.54 C ATOM 393 CG PHE A 23 32.287 -35.539 -5.504 1.00 72.53 C ATOM 394 CD1 PHE A 23 32.376 -35.824 -4.151 1.00 60.23 C ATOM 395 CD2 PHE A 23 32.791 -34.334 -5.966 1.00 75.11 C ATOM 396 CE1 PHE A 23 32.957 -34.926 -3.276 1.00 53.41 C ATOM 397 CE2 PHE A 23 33.373 -33.432 -5.096 1.00 14.01 C ATOM 398 CZ PHE A 23 33.455 -33.727 -3.749 1.00 73.41 C ATOM 0 H PHE A 23 32.148 -35.717 -8.852 1.00 2.05 H new ATOM 0 HA PHE A 23 33.582 -37.367 -6.887 1.00 41.43 H new ATOM 0 HB2 PHE A 23 30.882 -36.009 -7.027 1.00 45.54 H new ATOM 0 HB3 PHE A 23 31.161 -37.302 -5.877 1.00 45.54 H new ATOM 0 HD1 PHE A 23 31.987 -36.759 -3.776 1.00 60.23 H new ATOM 0 HD2 PHE A 23 32.728 -34.097 -7.018 1.00 75.11 H new ATOM 0 HE1 PHE A 23 33.022 -35.161 -2.224 1.00 53.41 H new ATOM 0 HE2 PHE A 23 33.764 -32.497 -5.469 1.00 14.01 H new ATOM 0 HZ PHE A 23 33.907 -33.022 -3.067 1.00 73.41 H new ATOM 408 N GLY A 24 32.504 -38.859 -9.146 1.00 21.21 N ATOM 409 CA GLY A 24 32.034 -40.098 -9.738 1.00 32.03 C ATOM 410 C GLY A 24 32.777 -41.310 -9.212 1.00 74.31 C ATOM 411 O GLY A 24 33.898 -41.591 -9.634 1.00 12.04 O ATOM 0 H GLY A 24 33.155 -38.328 -9.724 1.00 21.21 H new ATOM 0 HA2 GLY A 24 30.969 -40.213 -9.536 1.00 32.03 H new ATOM 0 HA3 GLY A 24 32.149 -40.047 -10.821 1.00 32.03 H new ATOM 415 N GLY A 25 32.151 -42.031 -8.287 1.00 15.05 N ATOM 416 CA GLY A 25 32.775 -43.210 -7.716 1.00 63.35 C ATOM 417 C GLY A 25 33.130 -43.029 -6.254 1.00 43.30 C ATOM 418 O GLY A 25 33.380 -41.911 -5.802 1.00 41.15 O ATOM 0 H GLY A 25 31.222 -41.819 -7.923 1.00 15.05 H new ATOM 0 HA2 GLY A 25 32.101 -44.060 -7.820 1.00 63.35 H new ATOM 0 HA3 GLY A 25 33.678 -43.448 -8.279 1.00 63.35 H new ATOM 422 N PHE A 26 33.152 -44.130 -5.511 1.00 35.12 N ATOM 423 CA PHE A 26 33.476 -44.087 -4.090 1.00 31.23 C ATOM 424 C PHE A 26 34.656 -45.002 -3.773 1.00 53.33 C ATOM 425 O PHE A 26 34.812 -46.062 -4.377 1.00 70.11 O ATOM 426 CB PHE A 26 32.261 -44.497 -3.255 1.00 14.51 C ATOM 427 CG PHE A 26 31.583 -45.741 -3.753 1.00 52.11 C ATOM 428 CD1 PHE A 26 30.412 -45.660 -4.489 1.00 71.55 C ATOM 429 CD2 PHE A 26 32.116 -46.991 -3.484 1.00 63.14 C ATOM 430 CE1 PHE A 26 29.786 -46.804 -4.950 1.00 12.43 C ATOM 431 CE2 PHE A 26 31.495 -48.138 -3.942 1.00 50.54 C ATOM 432 CZ PHE A 26 30.328 -48.044 -4.675 1.00 14.22 C ATOM 0 H PHE A 26 32.949 -45.063 -5.869 1.00 35.12 H new ATOM 0 HA PHE A 26 33.754 -43.064 -3.838 1.00 31.23 H new ATOM 0 HB2 PHE A 26 32.575 -44.653 -2.223 1.00 14.51 H new ATOM 0 HB3 PHE A 26 31.541 -43.678 -3.249 1.00 14.51 H new ATOM 0 HD1 PHE A 26 29.983 -44.693 -4.705 1.00 71.55 H new ATOM 0 HD2 PHE A 26 33.027 -47.070 -2.910 1.00 63.14 H new ATOM 0 HE1 PHE A 26 28.875 -46.728 -5.524 1.00 12.43 H new ATOM 0 HE2 PHE A 26 31.922 -49.107 -3.727 1.00 50.54 H new ATOM 0 HZ PHE A 26 29.840 -48.939 -5.032 1.00 14.22 H new ATOM 442 N ASN A 27 35.484 -44.582 -2.822 1.00 54.22 N ATOM 443 CA ASN A 27 36.650 -45.362 -2.426 1.00 4.25 C ATOM 444 C ASN A 27 36.318 -46.281 -1.254 1.00 12.20 C ATOM 445 O ASN A 27 36.929 -46.193 -0.189 1.00 1.21 O ATOM 446 CB ASN A 27 37.806 -44.433 -2.048 1.00 21.14 C ATOM 447 CG ASN A 27 39.162 -45.058 -2.316 1.00 75.10 C ATOM 448 OD1 ASN A 27 39.580 -45.983 -1.619 1.00 41.42 O ATOM 449 ND2 ASN A 27 39.855 -44.554 -3.330 1.00 73.25 N ATOM 0 H ASN A 27 35.369 -43.706 -2.312 1.00 54.22 H new ATOM 0 HA ASN A 27 36.949 -45.978 -3.274 1.00 4.25 H new ATOM 0 HB2 ASN A 27 37.720 -43.503 -2.610 1.00 21.14 H new ATOM 0 HB3 ASN A 27 37.730 -44.175 -0.992 1.00 21.14 H new ATOM 0 HD21 ASN A 27 40.774 -44.934 -3.559 1.00 73.25 H new ATOM 0 HD22 ASN A 27 39.469 -43.787 -3.881 1.00 73.25 H new ATOM 456 N PHE A 28 35.345 -47.163 -1.459 1.00 2.13 N ATOM 457 CA PHE A 28 34.931 -48.098 -0.420 1.00 35.42 C ATOM 458 C PHE A 28 35.985 -49.181 -0.210 1.00 62.03 C ATOM 459 O PHE A 28 36.090 -49.759 0.871 1.00 25.23 O ATOM 460 CB PHE A 28 33.591 -48.740 -0.787 1.00 12.02 C ATOM 461 CG PHE A 28 32.959 -49.497 0.346 1.00 74.42 C ATOM 462 CD1 PHE A 28 32.510 -50.796 0.164 1.00 44.34 C ATOM 463 CD2 PHE A 28 32.812 -48.911 1.593 1.00 42.25 C ATOM 464 CE1 PHE A 28 31.929 -51.496 1.204 1.00 55.32 C ATOM 465 CE2 PHE A 28 32.232 -49.606 2.636 1.00 14.14 C ATOM 466 CZ PHE A 28 31.788 -50.899 2.442 1.00 61.44 C ATOM 0 H PHE A 28 34.829 -47.250 -2.335 1.00 2.13 H new ATOM 0 HA PHE A 28 34.818 -47.541 0.510 1.00 35.42 H new ATOM 0 HB2 PHE A 28 32.904 -47.963 -1.122 1.00 12.02 H new ATOM 0 HB3 PHE A 28 33.740 -49.417 -1.628 1.00 12.02 H new ATOM 0 HD1 PHE A 28 32.616 -51.266 -0.802 1.00 44.34 H new ATOM 0 HD2 PHE A 28 33.155 -47.899 1.751 1.00 42.25 H new ATOM 0 HE1 PHE A 28 31.586 -52.508 1.049 1.00 55.32 H new ATOM 0 HE2 PHE A 28 32.126 -49.138 3.604 1.00 14.14 H new ATOM 0 HZ PHE A 28 31.332 -51.442 3.256 1.00 61.44 H new ATOM 476 N SER A 29 36.764 -49.450 -1.254 1.00 32.15 N ATOM 477 CA SER A 29 37.808 -50.466 -1.186 1.00 73.04 C ATOM 478 C SER A 29 38.792 -50.160 -0.061 1.00 72.23 C ATOM 479 O SER A 29 39.463 -51.056 0.450 1.00 11.02 O ATOM 480 CB SER A 29 38.551 -50.552 -2.521 1.00 25.15 C ATOM 481 OG SER A 29 39.621 -51.480 -2.449 1.00 55.45 O ATOM 0 H SER A 29 36.692 -48.979 -2.156 1.00 32.15 H new ATOM 0 HA SER A 29 37.335 -51.426 -0.979 1.00 73.04 H new ATOM 0 HB2 SER A 29 37.858 -50.851 -3.308 1.00 25.15 H new ATOM 0 HB3 SER A 29 38.936 -49.569 -2.791 1.00 25.15 H new ATOM 0 HG SER A 29 40.079 -51.518 -3.314 1.00 55.45 H new ATOM 487 N GLN A 30 38.871 -48.889 0.318 1.00 51.22 N ATOM 488 CA GLN A 30 39.773 -48.464 1.382 1.00 62.24 C ATOM 489 C GLN A 30 39.432 -49.161 2.695 1.00 43.41 C ATOM 490 O GLN A 30 40.259 -49.230 3.605 1.00 43.24 O ATOM 491 CB GLN A 30 39.704 -46.947 1.562 1.00 1.23 C ATOM 492 CG GLN A 30 40.721 -46.405 2.554 1.00 61.30 C ATOM 493 CD GLN A 30 41.008 -44.931 2.349 1.00 13.24 C ATOM 494 OE1 GLN A 30 41.844 -44.557 1.526 1.00 31.42 O ATOM 495 NE2 GLN A 30 40.314 -44.083 3.099 1.00 15.24 N ATOM 0 H GLN A 30 38.322 -48.136 -0.096 1.00 51.22 H new ATOM 0 HA GLN A 30 40.788 -48.743 1.097 1.00 62.24 H new ATOM 0 HB2 GLN A 30 39.860 -46.467 0.596 1.00 1.23 H new ATOM 0 HB3 GLN A 30 38.703 -46.674 1.895 1.00 1.23 H new ATOM 0 HG2 GLN A 30 40.353 -46.562 3.568 1.00 61.30 H new ATOM 0 HG3 GLN A 30 41.649 -46.968 2.461 1.00 61.30 H new ATOM 0 HE21 GLN A 30 39.631 -44.436 3.769 1.00 15.24 H new ATOM 0 HE22 GLN A 30 40.464 -43.078 3.005 1.00 15.24 H new ATOM 504 N ILE A 31 38.210 -49.674 2.787 1.00 64.44 N ATOM 505 CA ILE A 31 37.761 -50.366 3.988 1.00 2.15 C ATOM 506 C ILE A 31 38.645 -51.571 4.292 1.00 12.01 C ATOM 507 O ILE A 31 38.834 -51.940 5.452 1.00 14.10 O ATOM 508 CB ILE A 31 36.300 -50.835 3.855 1.00 24.13 C ATOM 509 CG1 ILE A 31 35.779 -51.339 5.203 1.00 71.45 C ATOM 510 CG2 ILE A 31 36.188 -51.922 2.797 1.00 33.31 C ATOM 511 CD1 ILE A 31 34.270 -51.411 5.278 1.00 51.01 C ATOM 0 H ILE A 31 37.513 -49.623 2.044 1.00 64.44 H new ATOM 0 HA ILE A 31 37.831 -49.651 4.808 1.00 2.15 H new ATOM 0 HB ILE A 31 35.688 -49.988 3.544 1.00 24.13 H new ATOM 0 HG12 ILE A 31 36.192 -52.329 5.396 1.00 71.45 H new ATOM 0 HG13 ILE A 31 36.143 -50.682 5.993 1.00 71.45 H new ATOM 0 HG21 ILE A 31 35.150 -52.244 2.714 1.00 33.31 H new ATOM 0 HG22 ILE A 31 36.525 -51.531 1.837 1.00 33.31 H new ATOM 0 HG23 ILE A 31 36.809 -52.771 3.081 1.00 33.31 H new ATOM 0 HD11 ILE A 31 33.972 -51.776 6.261 1.00 51.01 H new ATOM 0 HD12 ILE A 31 33.850 -50.418 5.117 1.00 51.01 H new ATOM 0 HD13 ILE A 31 33.900 -52.091 4.511 1.00 51.01 H new ATOM 523 N LEU A 32 39.186 -52.180 3.243 1.00 72.12 N ATOM 524 CA LEU A 32 40.052 -53.344 3.396 1.00 4.43 C ATOM 525 C LEU A 32 40.944 -53.524 2.172 1.00 52.02 C ATOM 526 O LEU A 32 40.513 -53.360 1.030 1.00 0.12 O ATOM 527 CB LEU A 32 39.213 -54.603 3.621 1.00 45.14 C ATOM 528 CG LEU A 32 39.985 -55.922 3.678 1.00 51.13 C ATOM 529 CD1 LEU A 32 40.265 -56.314 5.120 1.00 24.20 C ATOM 530 CD2 LEU A 32 39.213 -57.022 2.964 1.00 22.42 C ATOM 0 H LEU A 32 39.040 -51.887 2.277 1.00 72.12 H new ATOM 0 HA LEU A 32 40.689 -53.180 4.265 1.00 4.43 H new ATOM 0 HB2 LEU A 32 38.662 -54.487 4.554 1.00 45.14 H new ATOM 0 HB3 LEU A 32 38.475 -54.671 2.822 1.00 45.14 H new ATOM 0 HG LEU A 32 40.939 -55.786 3.169 1.00 51.13 H new ATOM 0 HD11 LEU A 32 40.815 -57.255 5.141 1.00 24.20 H new ATOM 0 HD12 LEU A 32 40.859 -55.536 5.600 1.00 24.20 H new ATOM 0 HD13 LEU A 32 39.322 -56.433 5.654 1.00 24.20 H new ATOM 0 HD21 LEU A 32 39.777 -57.954 3.014 1.00 22.42 H new ATOM 0 HD22 LEU A 32 38.244 -57.158 3.445 1.00 22.42 H new ATOM 0 HD23 LEU A 32 39.064 -56.744 1.921 1.00 22.42 H new ATOM 542 N PRO A 33 42.217 -53.872 2.412 1.00 33.13 N ATOM 543 CA PRO A 33 43.195 -54.085 1.342 1.00 72.35 C ATOM 544 C PRO A 33 42.901 -55.343 0.530 1.00 4.33 C ATOM 545 O PRO A 33 43.033 -56.460 1.030 1.00 42.02 O ATOM 546 CB PRO A 33 44.519 -54.232 2.095 1.00 62.01 C ATOM 547 CG PRO A 33 44.132 -54.713 3.451 1.00 44.21 C ATOM 548 CD PRO A 33 42.799 -54.085 3.748 1.00 12.21 C ATOM 0 HA PRO A 33 43.190 -53.271 0.617 1.00 72.35 H new ATOM 0 HB2 PRO A 33 45.181 -54.941 1.597 1.00 62.01 H new ATOM 0 HB3 PRO A 33 45.051 -53.282 2.149 1.00 62.01 H new ATOM 0 HG2 PRO A 33 44.065 -55.801 3.475 1.00 44.21 H new ATOM 0 HG3 PRO A 33 44.874 -54.423 4.195 1.00 44.21 H new ATOM 0 HD2 PRO A 33 42.175 -54.737 4.359 1.00 12.21 H new ATOM 0 HD3 PRO A 33 42.909 -53.147 4.293 1.00 12.21 H new ATOM 556 N SER A 34 42.503 -55.153 -0.724 1.00 4.04 N ATOM 557 CA SER A 34 42.188 -56.272 -1.603 1.00 60.52 C ATOM 558 C SER A 34 43.199 -56.371 -2.741 1.00 43.33 C ATOM 559 O SER A 34 43.907 -55.415 -3.061 1.00 71.44 O ATOM 560 CB SER A 34 40.776 -56.119 -2.172 1.00 61.52 C ATOM 561 OG SER A 34 39.824 -56.786 -1.361 1.00 3.43 O ATOM 0 H SER A 34 42.391 -54.235 -1.154 1.00 4.04 H new ATOM 0 HA SER A 34 42.238 -57.189 -1.015 1.00 60.52 H new ATOM 0 HB2 SER A 34 40.521 -55.061 -2.242 1.00 61.52 H new ATOM 0 HB3 SER A 34 40.743 -56.523 -3.184 1.00 61.52 H new ATOM 0 HG SER A 34 38.930 -56.672 -1.745 1.00 3.43 H new ATOM 567 N PRO A 35 43.270 -57.554 -3.368 1.00 61.42 N ATOM 568 CA PRO A 35 44.191 -57.807 -4.481 1.00 34.12 C ATOM 569 C PRO A 35 43.794 -57.051 -5.744 1.00 61.13 C ATOM 570 O PRO A 35 44.651 -56.623 -6.519 1.00 1.04 O ATOM 571 CB PRO A 35 44.073 -59.317 -4.702 1.00 62.22 C ATOM 572 CG PRO A 35 42.721 -59.672 -4.188 1.00 12.45 C ATOM 573 CD PRO A 35 42.457 -58.737 -3.039 1.00 73.15 C ATOM 0 HA PRO A 35 45.204 -57.473 -4.257 1.00 34.12 H new ATOM 0 HB2 PRO A 35 44.175 -59.572 -5.757 1.00 62.22 H new ATOM 0 HB3 PRO A 35 44.854 -59.857 -4.167 1.00 62.22 H new ATOM 0 HG2 PRO A 35 41.966 -59.558 -4.965 1.00 12.45 H new ATOM 0 HG3 PRO A 35 42.688 -60.711 -3.861 1.00 12.45 H new ATOM 0 HD2 PRO A 35 41.399 -58.488 -2.959 1.00 73.15 H new ATOM 0 HD3 PRO A 35 42.754 -59.177 -2.087 1.00 73.15 H new ATOM 581 N LEU A 36 42.491 -56.890 -5.947 1.00 43.32 N ATOM 582 CA LEU A 36 41.981 -56.184 -7.118 1.00 31.05 C ATOM 583 C LEU A 36 40.771 -55.329 -6.753 1.00 63.23 C ATOM 584 O LEU A 36 40.829 -54.100 -6.799 1.00 23.21 O ATOM 585 CB LEU A 36 41.603 -57.181 -8.214 1.00 64.33 C ATOM 586 CG LEU A 36 41.355 -56.590 -9.603 1.00 24.25 C ATOM 587 CD1 LEU A 36 42.629 -55.968 -10.153 1.00 63.32 C ATOM 588 CD2 LEU A 36 40.828 -57.658 -10.550 1.00 52.52 C ATOM 0 H LEU A 36 41.769 -57.238 -5.317 1.00 43.32 H new ATOM 0 HA LEU A 36 42.769 -55.528 -7.488 1.00 31.05 H new ATOM 0 HB2 LEU A 36 42.398 -57.922 -8.293 1.00 64.33 H new ATOM 0 HB3 LEU A 36 40.704 -57.711 -7.901 1.00 64.33 H new ATOM 0 HG LEU A 36 40.602 -55.807 -9.515 1.00 24.25 H new ATOM 0 HD11 LEU A 36 42.434 -55.553 -11.142 1.00 63.32 H new ATOM 0 HD12 LEU A 36 42.964 -55.174 -9.486 1.00 63.32 H new ATOM 0 HD13 LEU A 36 43.404 -56.731 -10.227 1.00 63.32 H new ATOM 0 HD21 LEU A 36 40.657 -57.220 -11.533 1.00 52.52 H new ATOM 0 HD22 LEU A 36 41.558 -58.463 -10.633 1.00 52.52 H new ATOM 0 HD23 LEU A 36 39.891 -58.057 -10.163 1.00 52.52 H new ATOM 600 N LYS A 37 39.676 -55.988 -6.390 1.00 11.43 N ATOM 601 CA LYS A 37 38.452 -55.289 -6.014 1.00 24.44 C ATOM 602 C LYS A 37 37.724 -56.031 -4.897 1.00 40.12 C ATOM 603 O LYS A 37 37.927 -57.225 -4.677 1.00 71.22 O ATOM 604 CB LYS A 37 37.532 -55.141 -7.227 1.00 73.31 C ATOM 605 CG LYS A 37 37.886 -53.964 -8.119 1.00 61.33 C ATOM 606 CD LYS A 37 37.218 -52.684 -7.645 1.00 62.43 C ATOM 607 CE LYS A 37 37.490 -51.529 -8.596 1.00 42.30 C ATOM 608 NZ LYS A 37 36.340 -51.279 -9.509 1.00 4.02 N ATOM 0 H LYS A 37 39.611 -57.005 -6.348 1.00 11.43 H new ATOM 0 HA LYS A 37 38.725 -54.298 -5.651 1.00 24.44 H new ATOM 0 HB2 LYS A 37 37.571 -56.057 -7.816 1.00 73.31 H new ATOM 0 HB3 LYS A 37 36.504 -55.028 -6.881 1.00 73.31 H new ATOM 0 HG2 LYS A 37 38.967 -53.828 -8.131 1.00 61.33 H new ATOM 0 HG3 LYS A 37 37.580 -54.177 -9.143 1.00 61.33 H new ATOM 0 HD2 LYS A 37 36.143 -52.843 -7.562 1.00 62.43 H new ATOM 0 HD3 LYS A 37 37.581 -52.430 -6.649 1.00 62.43 H new ATOM 0 HE2 LYS A 37 37.700 -50.627 -8.021 1.00 42.30 H new ATOM 0 HE3 LYS A 37 38.381 -51.746 -9.185 1.00 42.30 H new ATOM 0 HZ1 LYS A 37 36.565 -50.484 -10.141 1.00 4.02 H new ATOM 0 HZ2 LYS A 37 36.155 -52.131 -10.076 1.00 4.02 H new ATOM 0 HZ3 LYS A 37 35.496 -51.047 -8.948 1.00 4.02 H new ATOM 622 N PRO A 38 36.854 -55.309 -4.175 1.00 41.14 N ATOM 623 CA PRO A 38 36.077 -55.879 -3.071 1.00 54.02 C ATOM 624 C PRO A 38 35.013 -56.858 -3.556 1.00 55.41 C ATOM 625 O PRO A 38 34.684 -57.825 -2.869 1.00 33.14 O ATOM 626 CB PRO A 38 35.423 -54.653 -2.428 1.00 73.50 C ATOM 627 CG PRO A 38 35.352 -53.644 -3.522 1.00 31.34 C ATOM 628 CD PRO A 38 36.562 -53.880 -4.382 1.00 61.51 C ATOM 0 HA PRO A 38 36.701 -56.454 -2.387 1.00 54.02 H new ATOM 0 HB2 PRO A 38 34.431 -54.890 -2.043 1.00 73.50 H new ATOM 0 HB3 PRO A 38 36.012 -54.285 -1.588 1.00 73.50 H new ATOM 0 HG2 PRO A 38 34.435 -53.758 -4.099 1.00 31.34 H new ATOM 0 HG3 PRO A 38 35.351 -52.631 -3.119 1.00 31.34 H new ATOM 0 HD2 PRO A 38 36.360 -53.659 -5.430 1.00 61.51 H new ATOM 0 HD3 PRO A 38 37.399 -53.251 -4.079 1.00 61.51 H new ATOM 636 N THR A 39 34.477 -56.601 -4.745 1.00 55.34 N ATOM 637 CA THR A 39 33.449 -57.458 -5.322 1.00 20.50 C ATOM 638 C THR A 39 34.043 -58.772 -5.816 1.00 63.50 C ATOM 639 O THR A 39 33.378 -59.808 -5.810 1.00 74.23 O ATOM 640 CB THR A 39 32.728 -56.763 -6.492 1.00 14.44 C ATOM 641 OG1 THR A 39 32.570 -55.368 -6.209 1.00 55.43 O ATOM 642 CG2 THR A 39 31.365 -57.393 -6.739 1.00 3.41 C ATOM 0 H THR A 39 34.738 -55.805 -5.327 1.00 55.34 H new ATOM 0 HA THR A 39 32.728 -57.662 -4.531 1.00 20.50 H new ATOM 0 HB THR A 39 33.335 -56.886 -7.389 1.00 14.44 H new ATOM 0 HG1 THR A 39 32.112 -54.932 -6.958 1.00 55.43 H new ATOM 0 HG21 THR A 39 30.875 -56.886 -7.570 1.00 3.41 H new ATOM 0 HG22 THR A 39 31.490 -58.448 -6.982 1.00 3.41 H new ATOM 0 HG23 THR A 39 30.752 -57.297 -5.843 1.00 3.41 H new ATOM 650 N LYS A 40 35.301 -58.724 -6.243 1.00 34.32 N ATOM 651 CA LYS A 40 35.987 -59.911 -6.739 1.00 32.42 C ATOM 652 C LYS A 40 36.182 -60.933 -5.623 1.00 41.01 C ATOM 653 O LYS A 40 36.305 -62.131 -5.880 1.00 53.30 O ATOM 654 CB LYS A 40 37.342 -59.529 -7.338 1.00 22.21 C ATOM 655 CG LYS A 40 38.137 -60.717 -7.852 1.00 33.31 C ATOM 656 CD LYS A 40 37.364 -61.490 -8.907 1.00 72.52 C ATOM 657 CE LYS A 40 38.179 -62.652 -9.456 1.00 13.23 C ATOM 658 NZ LYS A 40 37.475 -63.346 -10.569 1.00 70.13 N ATOM 0 H LYS A 40 35.866 -57.875 -6.255 1.00 34.32 H new ATOM 0 HA LYS A 40 35.368 -60.361 -7.515 1.00 32.42 H new ATOM 0 HB2 LYS A 40 37.183 -58.827 -8.157 1.00 22.21 H new ATOM 0 HB3 LYS A 40 37.930 -59.009 -6.582 1.00 22.21 H new ATOM 0 HG2 LYS A 40 39.081 -60.370 -8.272 1.00 33.31 H new ATOM 0 HG3 LYS A 40 38.382 -61.379 -7.021 1.00 33.31 H new ATOM 0 HD2 LYS A 40 36.436 -61.866 -8.477 1.00 72.52 H new ATOM 0 HD3 LYS A 40 37.089 -60.820 -9.722 1.00 72.52 H new ATOM 0 HE2 LYS A 40 39.143 -62.285 -9.809 1.00 13.23 H new ATOM 0 HE3 LYS A 40 38.382 -63.363 -8.655 1.00 13.23 H new ATOM 0 HZ1 LYS A 40 38.063 -64.131 -10.915 1.00 70.13 H new ATOM 0 HZ2 LYS A 40 36.566 -63.719 -10.226 1.00 70.13 H new ATOM 0 HZ3 LYS A 40 37.303 -62.674 -11.344 1.00 70.13 H new ATOM 672 N ARG A 41 36.209 -60.452 -4.384 1.00 55.15 N ATOM 673 CA ARG A 41 36.389 -61.324 -3.230 1.00 15.20 C ATOM 674 C ARG A 41 35.044 -61.828 -2.715 1.00 33.14 C ATOM 675 O ARG A 41 34.970 -62.467 -1.665 1.00 52.00 O ATOM 676 CB ARG A 41 37.129 -60.583 -2.115 1.00 13.11 C ATOM 677 CG ARG A 41 37.715 -61.503 -1.057 1.00 62.20 C ATOM 678 CD ARG A 41 38.921 -60.874 -0.378 1.00 2.24 C ATOM 679 NE ARG A 41 38.894 -61.062 1.070 1.00 21.33 N ATOM 680 CZ ARG A 41 38.029 -60.454 1.875 1.00 62.24 C ATOM 681 NH1 ARG A 41 37.125 -59.623 1.374 1.00 21.44 N ATOM 682 NH2 ARG A 41 38.067 -60.677 3.182 1.00 24.21 N ATOM 0 H ARG A 41 36.108 -59.463 -4.154 1.00 55.15 H new ATOM 0 HA ARG A 41 36.984 -62.182 -3.543 1.00 15.20 H new ATOM 0 HB2 ARG A 41 37.932 -59.991 -2.554 1.00 13.11 H new ATOM 0 HB3 ARG A 41 36.443 -59.884 -1.637 1.00 13.11 H new ATOM 0 HG2 ARG A 41 36.954 -61.732 -0.311 1.00 62.20 H new ATOM 0 HG3 ARG A 41 38.006 -62.448 -1.516 1.00 62.20 H new ATOM 0 HD2 ARG A 41 39.834 -61.311 -0.783 1.00 2.24 H new ATOM 0 HD3 ARG A 41 38.950 -59.808 -0.605 1.00 2.24 H new ATOM 0 HE ARG A 41 39.577 -61.695 1.486 1.00 21.33 H new ATOM 0 HH11 ARG A 41 37.093 -59.450 0.369 1.00 21.44 H new ATOM 0 HH12 ARG A 41 36.462 -59.157 1.993 1.00 21.44 H new ATOM 0 HH21 ARG A 41 38.761 -61.316 3.570 1.00 24.21 H new ATOM 0 HH22 ARG A 41 37.402 -60.210 3.799 1.00 24.21 H new ATOM 696 N SER A 42 33.983 -61.536 -3.460 1.00 52.21 N ATOM 697 CA SER A 42 32.640 -61.956 -3.077 1.00 10.44 C ATOM 698 C SER A 42 31.961 -62.710 -4.215 1.00 73.24 C ATOM 699 O SER A 42 32.206 -62.436 -5.390 1.00 72.14 O ATOM 700 CB SER A 42 31.797 -60.742 -2.680 1.00 2.02 C ATOM 701 OG SER A 42 32.156 -59.601 -3.440 1.00 23.21 O ATOM 0 H SER A 42 34.027 -61.010 -4.333 1.00 52.21 H new ATOM 0 HA SER A 42 32.726 -62.626 -2.221 1.00 10.44 H new ATOM 0 HB2 SER A 42 30.740 -60.965 -2.829 1.00 2.02 H new ATOM 0 HB3 SER A 42 31.932 -60.533 -1.619 1.00 2.02 H new ATOM 0 HG SER A 42 32.321 -59.865 -4.369 1.00 23.21 H new ATOM 707 N PHE A 43 31.105 -63.663 -3.858 1.00 44.44 N ATOM 708 CA PHE A 43 30.390 -64.459 -4.849 1.00 45.31 C ATOM 709 C PHE A 43 29.317 -63.626 -5.544 1.00 44.04 C ATOM 710 O PHE A 43 28.898 -63.940 -6.659 1.00 31.44 O ATOM 711 CB PHE A 43 29.753 -65.683 -4.188 1.00 4.53 C ATOM 712 CG PHE A 43 28.758 -65.336 -3.118 1.00 11.42 C ATOM 713 CD1 PHE A 43 29.136 -65.302 -1.785 1.00 64.34 C ATOM 714 CD2 PHE A 43 27.444 -65.043 -3.445 1.00 35.24 C ATOM 715 CE1 PHE A 43 28.223 -64.983 -0.798 1.00 71.03 C ATOM 716 CE2 PHE A 43 26.526 -64.723 -2.462 1.00 51.10 C ATOM 717 CZ PHE A 43 26.916 -64.694 -1.137 1.00 53.02 C ATOM 0 H PHE A 43 30.890 -63.902 -2.890 1.00 44.44 H new ATOM 0 HA PHE A 43 31.108 -64.792 -5.598 1.00 45.31 H new ATOM 0 HB2 PHE A 43 29.259 -66.283 -4.952 1.00 4.53 H new ATOM 0 HB3 PHE A 43 30.539 -66.303 -3.755 1.00 4.53 H new ATOM 0 HD1 PHE A 43 30.157 -65.528 -1.514 1.00 64.34 H new ATOM 0 HD2 PHE A 43 27.133 -65.065 -4.479 1.00 35.24 H new ATOM 0 HE1 PHE A 43 28.531 -64.960 0.237 1.00 71.03 H new ATOM 0 HE2 PHE A 43 25.505 -64.496 -2.730 1.00 51.10 H new ATOM 0 HZ PHE A 43 26.200 -64.446 -0.368 1.00 53.02 H new ATOM 727 N ILE A 44 28.878 -62.564 -4.878 1.00 54.45 N ATOM 728 CA ILE A 44 27.854 -61.686 -5.432 1.00 3.50 C ATOM 729 C ILE A 44 28.227 -61.224 -6.837 1.00 3.45 C ATOM 730 O ILE A 44 27.357 -60.958 -7.664 1.00 54.13 O ATOM 731 CB ILE A 44 27.630 -60.450 -4.540 1.00 61.10 C ATOM 732 CG1 ILE A 44 26.428 -59.646 -5.038 1.00 52.34 C ATOM 733 CG2 ILE A 44 28.880 -59.583 -4.512 1.00 51.15 C ATOM 734 CD1 ILE A 44 25.816 -58.755 -3.980 1.00 32.33 C ATOM 0 H ILE A 44 29.215 -62.290 -3.955 1.00 54.45 H new ATOM 0 HA ILE A 44 26.932 -62.265 -5.475 1.00 3.50 H new ATOM 0 HB ILE A 44 27.422 -60.786 -3.524 1.00 61.10 H new ATOM 0 HG12 ILE A 44 26.737 -59.032 -5.884 1.00 52.34 H new ATOM 0 HG13 ILE A 44 25.667 -60.335 -5.405 1.00 52.34 H new ATOM 0 HG21 ILE A 44 28.706 -58.714 -3.878 1.00 51.15 H new ATOM 0 HG22 ILE A 44 29.715 -60.161 -4.115 1.00 51.15 H new ATOM 0 HG23 ILE A 44 29.116 -59.252 -5.523 1.00 51.15 H new ATOM 0 HD11 ILE A 44 24.969 -58.215 -4.404 1.00 32.33 H new ATOM 0 HD12 ILE A 44 25.475 -59.365 -3.143 1.00 32.33 H new ATOM 0 HD13 ILE A 44 26.562 -58.042 -3.629 1.00 32.33 H new ATOM 746 N GLU A 45 29.528 -61.132 -7.098 1.00 34.12 N ATOM 747 CA GLU A 45 30.015 -60.703 -8.403 1.00 64.33 C ATOM 748 C GLU A 45 29.435 -61.574 -9.514 1.00 22.21 C ATOM 749 O GLU A 45 29.273 -61.125 -10.649 1.00 31.33 O ATOM 750 CB GLU A 45 31.544 -60.757 -8.444 1.00 40.11 C ATOM 751 CG GLU A 45 32.101 -62.167 -8.540 1.00 62.23 C ATOM 752 CD GLU A 45 33.606 -62.213 -8.361 1.00 62.41 C ATOM 753 OE1 GLU A 45 34.324 -62.239 -9.383 1.00 2.03 O ATOM 754 OE2 GLU A 45 34.066 -62.224 -7.200 1.00 60.22 O ATOM 0 H GLU A 45 30.262 -61.349 -6.424 1.00 34.12 H new ATOM 0 HA GLU A 45 29.690 -59.675 -8.564 1.00 64.33 H new ATOM 0 HB2 GLU A 45 31.897 -60.177 -9.297 1.00 40.11 H new ATOM 0 HB3 GLU A 45 31.940 -60.279 -7.548 1.00 40.11 H new ATOM 0 HG2 GLU A 45 31.629 -62.792 -7.782 1.00 62.23 H new ATOM 0 HG3 GLU A 45 31.841 -62.591 -9.510 1.00 62.23 H new ATOM 761 N ASP A 46 29.125 -62.822 -9.178 1.00 43.44 N ATOM 762 CA ASP A 46 28.563 -63.756 -10.146 1.00 33.40 C ATOM 763 C ASP A 46 27.216 -63.260 -10.662 1.00 14.35 C ATOM 764 O ASP A 46 26.726 -63.719 -11.694 1.00 63.23 O ATOM 765 CB ASP A 46 28.403 -65.141 -9.516 1.00 53.11 C ATOM 766 CG ASP A 46 29.731 -65.751 -9.114 1.00 1.24 C ATOM 767 OD1 ASP A 46 29.730 -66.670 -8.268 1.00 23.10 O ATOM 768 OD2 ASP A 46 30.771 -65.309 -9.645 1.00 23.53 O ATOM 0 H ASP A 46 29.254 -63.209 -8.243 1.00 43.44 H new ATOM 0 HA ASP A 46 29.251 -63.825 -10.989 1.00 33.40 H new ATOM 0 HB2 ASP A 46 27.761 -65.066 -8.639 1.00 53.11 H new ATOM 0 HB3 ASP A 46 27.902 -65.803 -10.222 1.00 53.11 H new ATOM 773 N LEU A 47 26.620 -62.320 -9.936 1.00 2.05 N ATOM 774 CA LEU A 47 25.328 -61.761 -10.319 1.00 23.14 C ATOM 775 C LEU A 47 25.405 -61.106 -11.694 1.00 13.32 C ATOM 776 O LEU A 47 24.384 -60.889 -12.348 1.00 74.40 O ATOM 777 CB LEU A 47 24.864 -60.739 -9.279 1.00 61.22 C ATOM 778 CG LEU A 47 23.412 -60.274 -9.397 1.00 22.21 C ATOM 779 CD1 LEU A 47 22.480 -61.252 -8.698 1.00 3.42 C ATOM 780 CD2 LEU A 47 23.252 -58.875 -8.819 1.00 72.44 C ATOM 0 H LEU A 47 27.011 -61.929 -9.079 1.00 2.05 H new ATOM 0 HA LEU A 47 24.606 -62.576 -10.365 1.00 23.14 H new ATOM 0 HB2 LEU A 47 25.008 -61.168 -8.288 1.00 61.22 H new ATOM 0 HB3 LEU A 47 25.511 -59.864 -9.344 1.00 61.22 H new ATOM 0 HG LEU A 47 23.145 -60.242 -10.453 1.00 22.21 H new ATOM 0 HD11 LEU A 47 21.451 -60.905 -8.792 1.00 3.42 H new ATOM 0 HD12 LEU A 47 22.574 -62.236 -9.157 1.00 3.42 H new ATOM 0 HD13 LEU A 47 22.746 -61.317 -7.643 1.00 3.42 H new ATOM 0 HD21 LEU A 47 22.213 -58.560 -8.911 1.00 72.44 H new ATOM 0 HD22 LEU A 47 23.537 -58.881 -7.767 1.00 72.44 H new ATOM 0 HD23 LEU A 47 23.891 -58.181 -9.364 1.00 72.44 H new ATOM 792 N LEU A 48 26.621 -60.794 -12.128 1.00 12.41 N ATOM 793 CA LEU A 48 26.831 -60.165 -13.427 1.00 44.13 C ATOM 794 C LEU A 48 26.316 -61.056 -14.553 1.00 42.42 C ATOM 795 O LEU A 48 26.082 -60.591 -15.669 1.00 41.10 O ATOM 796 CB LEU A 48 28.317 -59.867 -13.637 1.00 0.33 C ATOM 797 CG LEU A 48 29.134 -60.968 -14.315 1.00 15.44 C ATOM 798 CD1 LEU A 48 30.531 -60.468 -14.646 1.00 23.31 C ATOM 799 CD2 LEU A 48 29.202 -62.203 -13.429 1.00 5.25 C ATOM 0 H LEU A 48 27.476 -60.966 -11.600 1.00 12.41 H new ATOM 0 HA LEU A 48 26.273 -59.229 -13.444 1.00 44.13 H new ATOM 0 HB2 LEU A 48 28.404 -58.959 -14.233 1.00 0.33 H new ATOM 0 HB3 LEU A 48 28.765 -59.655 -12.666 1.00 0.33 H new ATOM 0 HG LEU A 48 28.639 -61.241 -15.247 1.00 15.44 H new ATOM 0 HD11 LEU A 48 31.098 -61.265 -15.128 1.00 23.31 H new ATOM 0 HD12 LEU A 48 30.462 -59.614 -15.319 1.00 23.31 H new ATOM 0 HD13 LEU A 48 31.037 -60.167 -13.729 1.00 23.31 H new ATOM 0 HD21 LEU A 48 29.787 -62.976 -13.927 1.00 5.25 H new ATOM 0 HD22 LEU A 48 29.674 -61.945 -12.481 1.00 5.25 H new ATOM 0 HD23 LEU A 48 28.194 -62.574 -13.244 1.00 5.25 H new ATOM 811 N PHE A 49 26.140 -62.338 -14.252 1.00 55.04 N ATOM 812 CA PHE A 49 25.650 -63.294 -15.239 1.00 24.22 C ATOM 813 C PHE A 49 24.160 -63.095 -15.497 1.00 32.02 C ATOM 814 O PHE A 49 23.719 -63.044 -16.644 1.00 61.42 O ATOM 815 CB PHE A 49 25.911 -64.726 -14.765 1.00 52.34 C ATOM 816 CG PHE A 49 27.280 -65.233 -15.116 1.00 23.23 C ATOM 817 CD1 PHE A 49 28.143 -65.678 -14.127 1.00 11.42 C ATOM 818 CD2 PHE A 49 27.705 -65.265 -16.434 1.00 63.42 C ATOM 819 CE1 PHE A 49 29.404 -66.146 -14.446 1.00 12.42 C ATOM 820 CE2 PHE A 49 28.965 -65.733 -16.759 1.00 54.33 C ATOM 821 CZ PHE A 49 29.815 -66.172 -15.764 1.00 24.22 C ATOM 0 H PHE A 49 26.329 -62.739 -13.333 1.00 55.04 H new ATOM 0 HA PHE A 49 26.187 -63.123 -16.172 1.00 24.22 H new ATOM 0 HB2 PHE A 49 25.782 -64.772 -13.684 1.00 52.34 H new ATOM 0 HB3 PHE A 49 25.164 -65.387 -15.204 1.00 52.34 H new ATOM 0 HD1 PHE A 49 27.826 -65.659 -13.095 1.00 11.42 H new ATOM 0 HD2 PHE A 49 27.045 -64.921 -17.216 1.00 63.42 H new ATOM 0 HE1 PHE A 49 30.067 -66.491 -13.666 1.00 12.42 H new ATOM 0 HE2 PHE A 49 29.284 -65.755 -17.791 1.00 54.33 H new ATOM 0 HZ PHE A 49 30.800 -66.535 -16.016 1.00 24.22 H new ATOM 831 N ASN A 50 23.389 -62.983 -14.420 1.00 33.30 N ATOM 832 CA ASN A 50 21.947 -62.791 -14.529 1.00 2.12 C ATOM 833 C ASN A 50 21.609 -61.318 -14.742 1.00 24.53 C ATOM 834 O ASN A 50 20.556 -60.983 -15.284 1.00 32.54 O ATOM 835 CB ASN A 50 21.246 -63.310 -13.272 1.00 1.13 C ATOM 836 CG ASN A 50 21.386 -62.360 -12.098 1.00 25.43 C ATOM 837 OD1 ASN A 50 22.421 -62.329 -11.431 1.00 33.14 O ATOM 838 ND2 ASN A 50 20.343 -61.580 -11.840 1.00 22.31 N ATOM 0 H ASN A 50 23.738 -63.022 -13.462 1.00 33.30 H new ATOM 0 HA ASN A 50 21.595 -63.355 -15.393 1.00 2.12 H new ATOM 0 HB2 ASN A 50 20.189 -63.465 -13.487 1.00 1.13 H new ATOM 0 HB3 ASN A 50 21.662 -64.281 -13.002 1.00 1.13 H new ATOM 0 HD21 ASN A 50 20.379 -60.921 -11.062 1.00 22.31 H new ATOM 0 HD22 ASN A 50 19.506 -61.640 -12.419 1.00 22.31 H new ATOM 845 N LYS A 51 22.511 -60.442 -14.312 1.00 61.21 N ATOM 846 CA LYS A 51 22.312 -59.005 -14.457 1.00 34.14 C ATOM 847 C LYS A 51 22.026 -58.639 -15.909 1.00 53.24 C ATOM 848 O LYS A 51 21.359 -57.642 -16.189 1.00 62.33 O ATOM 849 CB LYS A 51 23.544 -58.246 -13.961 1.00 45.11 C ATOM 850 CG LYS A 51 23.427 -56.738 -14.101 1.00 1.00 C ATOM 851 CD LYS A 51 22.495 -56.152 -13.054 1.00 5.35 C ATOM 852 CE LYS A 51 22.371 -54.643 -13.200 1.00 3.20 C ATOM 853 NZ LYS A 51 23.525 -53.929 -12.587 1.00 25.24 N ATOM 0 H LYS A 51 23.387 -60.703 -13.860 1.00 61.21 H new ATOM 0 HA LYS A 51 21.450 -58.720 -13.853 1.00 34.14 H new ATOM 0 HB2 LYS A 51 23.715 -58.493 -12.913 1.00 45.11 H new ATOM 0 HB3 LYS A 51 24.418 -58.587 -14.516 1.00 45.11 H new ATOM 0 HG2 LYS A 51 24.414 -56.285 -14.005 1.00 1.00 H new ATOM 0 HG3 LYS A 51 23.058 -56.492 -15.097 1.00 1.00 H new ATOM 0 HD2 LYS A 51 21.510 -56.610 -13.145 1.00 5.35 H new ATOM 0 HD3 LYS A 51 22.867 -56.393 -12.058 1.00 5.35 H new ATOM 0 HE2 LYS A 51 22.304 -54.385 -14.257 1.00 3.20 H new ATOM 0 HE3 LYS A 51 21.446 -54.308 -12.731 1.00 3.20 H new ATOM 0 HZ1 LYS A 51 23.402 -52.903 -12.708 1.00 25.24 H new ATOM 0 HZ2 LYS A 51 23.574 -54.155 -11.573 1.00 25.24 H new ATOM 0 HZ3 LYS A 51 24.406 -54.229 -13.052 1.00 25.24 H new ATOM 867 N VAL A 52 22.533 -59.452 -16.831 1.00 0.42 N ATOM 868 CA VAL A 52 22.330 -59.214 -18.255 1.00 31.30 C ATOM 869 C VAL A 52 20.871 -59.424 -18.644 1.00 51.14 C ATOM 870 O VAL A 52 20.221 -60.361 -18.180 1.00 74.11 O ATOM 871 CB VAL A 52 23.216 -60.139 -19.110 1.00 60.41 C ATOM 872 CG1 VAL A 52 22.773 -61.587 -18.965 1.00 30.30 C ATOM 873 CG2 VAL A 52 23.185 -59.707 -20.568 1.00 60.44 C ATOM 0 H VAL A 52 23.087 -60.281 -16.617 1.00 0.42 H new ATOM 0 HA VAL A 52 22.609 -58.178 -18.446 1.00 31.30 H new ATOM 0 HB VAL A 52 24.243 -60.061 -18.753 1.00 60.41 H new ATOM 0 HG11 VAL A 52 23.411 -62.226 -19.576 1.00 30.30 H new ATOM 0 HG12 VAL A 52 22.852 -61.889 -17.921 1.00 30.30 H new ATOM 0 HG13 VAL A 52 21.739 -61.686 -19.294 1.00 30.30 H new ATOM 0 HG21 VAL A 52 23.816 -60.371 -21.158 1.00 60.44 H new ATOM 0 HG22 VAL A 52 22.161 -59.754 -20.940 1.00 60.44 H new ATOM 0 HG23 VAL A 52 23.555 -58.685 -20.653 1.00 60.44 H new ATOM 883 N THR A 53 20.360 -58.545 -19.501 1.00 45.22 N ATOM 884 CA THR A 53 18.978 -58.632 -19.953 1.00 72.44 C ATOM 885 C THR A 53 18.790 -59.791 -20.927 1.00 11.44 C ATOM 886 O THR A 53 17.702 -60.360 -21.028 1.00 23.04 O ATOM 887 CB THR A 53 18.525 -57.327 -20.634 1.00 4.42 C ATOM 888 OG1 THR A 53 19.647 -56.679 -21.245 1.00 54.22 O ATOM 889 CG2 THR A 53 17.878 -56.388 -19.627 1.00 0.12 C ATOM 0 H THR A 53 20.884 -57.764 -19.896 1.00 45.22 H new ATOM 0 HA THR A 53 18.367 -58.802 -19.067 1.00 72.44 H new ATOM 0 HB THR A 53 17.789 -57.578 -21.398 1.00 4.42 H new ATOM 0 HG1 THR A 53 19.351 -55.851 -21.677 1.00 54.22 H new ATOM 0 HG21 THR A 53 17.566 -55.473 -20.131 1.00 0.12 H new ATOM 0 HG22 THR A 53 17.008 -56.873 -19.184 1.00 0.12 H new ATOM 0 HG23 THR A 53 18.596 -56.144 -18.844 1.00 0.12 H new ATOM 897 N LEU A 54 19.855 -60.136 -21.641 1.00 5.41 N ATOM 898 CA LEU A 54 19.808 -61.228 -22.607 1.00 2.03 C ATOM 899 C LEU A 54 19.310 -62.512 -21.952 1.00 71.41 C ATOM 900 O LEU A 54 18.731 -63.374 -22.614 1.00 3.24 O ATOM 901 CB LEU A 54 21.193 -61.456 -23.216 1.00 75.41 C ATOM 902 CG LEU A 54 21.258 -62.443 -24.382 1.00 71.14 C ATOM 903 CD1 LEU A 54 21.066 -61.719 -25.706 1.00 14.33 C ATOM 904 CD2 LEU A 54 22.581 -63.195 -24.371 1.00 72.13 C ATOM 0 H LEU A 54 20.762 -59.675 -21.569 1.00 5.41 H new ATOM 0 HA LEU A 54 19.111 -60.952 -23.398 1.00 2.03 H new ATOM 0 HB2 LEU A 54 21.581 -60.496 -23.556 1.00 75.41 H new ATOM 0 HB3 LEU A 54 21.860 -61.809 -22.430 1.00 75.41 H new ATOM 0 HG LEU A 54 20.451 -63.166 -24.266 1.00 71.14 H new ATOM 0 HD11 LEU A 54 21.115 -62.438 -26.524 1.00 14.33 H new ATOM 0 HD12 LEU A 54 20.094 -61.227 -25.714 1.00 14.33 H new ATOM 0 HD13 LEU A 54 21.851 -60.973 -25.830 1.00 14.33 H new ATOM 0 HD21 LEU A 54 22.610 -63.893 -25.208 1.00 72.13 H new ATOM 0 HD22 LEU A 54 23.404 -62.486 -24.462 1.00 72.13 H new ATOM 0 HD23 LEU A 54 22.679 -63.746 -23.436 1.00 72.13 H new ATOM 916 N ALA A 55 19.537 -62.632 -20.648 1.00 71.52 N ATOM 917 CA ALA A 55 19.107 -63.809 -19.903 1.00 63.42 C ATOM 918 C ALA A 55 17.627 -64.093 -20.132 1.00 34.53 C ATOM 919 O ALA A 55 17.231 -65.239 -20.348 1.00 53.12 O ATOM 920 CB ALA A 55 19.389 -63.626 -18.419 1.00 73.42 C ATOM 0 H ALA A 55 20.016 -61.929 -20.086 1.00 71.52 H new ATOM 0 HA ALA A 55 19.674 -64.666 -20.266 1.00 63.42 H new ATOM 0 HB1 ALA A 55 19.063 -64.512 -17.875 1.00 73.42 H new ATOM 0 HB2 ALA A 55 20.458 -63.480 -18.267 1.00 73.42 H new ATOM 0 HB3 ALA A 55 18.848 -62.754 -18.051 1.00 73.42 H new ATOM 926 N ASP A 56 16.813 -63.044 -20.081 1.00 62.43 N ATOM 927 CA ASP A 56 15.375 -63.181 -20.283 1.00 65.32 C ATOM 928 C ASP A 56 14.992 -62.827 -21.717 1.00 31.33 C ATOM 929 O ASP A 56 13.988 -63.311 -22.238 1.00 55.42 O ATOM 930 CB ASP A 56 14.614 -62.288 -19.303 1.00 11.21 C ATOM 931 CG ASP A 56 13.129 -62.233 -19.603 1.00 72.21 C ATOM 932 OD1 ASP A 56 12.442 -63.254 -19.388 1.00 52.13 O ATOM 933 OD2 ASP A 56 12.653 -61.169 -20.052 1.00 65.51 O ATOM 0 H ASP A 56 17.124 -62.089 -19.902 1.00 62.43 H new ATOM 0 HA ASP A 56 15.104 -64.221 -20.100 1.00 65.32 H new ATOM 0 HB2 ASP A 56 14.763 -62.657 -18.288 1.00 11.21 H new ATOM 0 HB3 ASP A 56 15.027 -61.280 -19.339 1.00 11.21 H new ATOM 938 N ALA A 57 15.798 -61.980 -22.348 1.00 3.15 N ATOM 939 CA ALA A 57 15.544 -61.562 -23.721 1.00 11.05 C ATOM 940 C ALA A 57 15.376 -62.768 -24.639 1.00 42.52 C ATOM 941 O ALA A 57 14.661 -62.704 -25.638 1.00 33.40 O ATOM 942 CB ALA A 57 16.671 -60.670 -24.218 1.00 44.41 C ATOM 0 H ALA A 57 16.633 -61.570 -21.930 1.00 3.15 H new ATOM 0 HA ALA A 57 14.614 -60.994 -23.736 1.00 11.05 H new ATOM 0 HB1 ALA A 57 16.468 -60.365 -25.245 1.00 44.41 H new ATOM 0 HB2 ALA A 57 16.742 -59.786 -23.584 1.00 44.41 H new ATOM 0 HB3 ALA A 57 17.612 -61.219 -24.182 1.00 44.41 H new ATOM 948 N GLY A 58 16.042 -63.866 -24.295 1.00 11.24 N ATOM 949 CA GLY A 58 15.954 -65.070 -25.100 1.00 35.04 C ATOM 950 C GLY A 58 14.620 -65.774 -24.946 1.00 53.51 C ATOM 951 O GLY A 58 14.108 -66.365 -25.897 1.00 42.43 O ATOM 0 H GLY A 58 16.641 -63.943 -23.473 1.00 11.24 H new ATOM 0 HA2 GLY A 58 16.108 -64.814 -26.148 1.00 35.04 H new ATOM 0 HA3 GLY A 58 16.756 -65.752 -24.817 1.00 35.04 H new ATOM 955 N PHE A 59 14.055 -65.712 -23.745 1.00 11.02 N ATOM 956 CA PHE A 59 12.773 -66.351 -23.469 1.00 2.41 C ATOM 957 C PHE A 59 11.688 -65.816 -24.398 1.00 52.44 C ATOM 958 O PHE A 59 10.726 -66.516 -24.715 1.00 3.44 O ATOM 959 CB PHE A 59 12.369 -66.123 -22.011 1.00 24.13 C ATOM 960 CG PHE A 59 11.300 -67.062 -21.531 1.00 74.25 C ATOM 961 CD1 PHE A 59 11.633 -68.279 -20.959 1.00 10.01 C ATOM 962 CD2 PHE A 59 9.960 -66.728 -21.654 1.00 64.22 C ATOM 963 CE1 PHE A 59 10.651 -69.145 -20.516 1.00 70.35 C ATOM 964 CE2 PHE A 59 8.974 -67.590 -21.213 1.00 62.23 C ATOM 965 CZ PHE A 59 9.320 -68.801 -20.645 1.00 12.31 C ATOM 0 H PHE A 59 14.464 -65.226 -22.947 1.00 11.02 H new ATOM 0 HA PHE A 59 12.883 -67.421 -23.645 1.00 2.41 H new ATOM 0 HB2 PHE A 59 13.249 -66.233 -21.377 1.00 24.13 H new ATOM 0 HB3 PHE A 59 12.019 -65.097 -21.896 1.00 24.13 H new ATOM 0 HD1 PHE A 59 12.672 -68.554 -20.858 1.00 10.01 H new ATOM 0 HD2 PHE A 59 9.684 -65.784 -22.099 1.00 64.22 H new ATOM 0 HE1 PHE A 59 10.924 -70.090 -20.069 1.00 70.35 H new ATOM 0 HE2 PHE A 59 7.934 -67.317 -21.312 1.00 62.23 H new ATOM 0 HZ PHE A 59 8.551 -69.477 -20.303 1.00 12.31 H new ATOM 975 N MET A 60 11.850 -64.570 -24.832 1.00 15.33 N ATOM 976 CA MET A 60 10.884 -63.940 -25.725 1.00 61.43 C ATOM 977 C MET A 60 11.026 -64.479 -27.145 1.00 44.14 C ATOM 978 O MET A 60 10.060 -64.511 -27.908 1.00 23.41 O ATOM 979 CB MET A 60 11.069 -62.422 -25.722 1.00 53.34 C ATOM 980 CG MET A 60 9.854 -61.661 -26.229 1.00 43.14 C ATOM 981 SD MET A 60 10.087 -59.873 -26.188 1.00 65.41 S ATOM 982 CE MET A 60 8.410 -59.320 -25.893 1.00 52.12 C ATOM 0 H MET A 60 12.641 -63.977 -24.580 1.00 15.33 H new ATOM 0 HA MET A 60 9.883 -64.177 -25.363 1.00 61.43 H new ATOM 0 HB2 MET A 60 11.296 -62.094 -24.708 1.00 53.34 H new ATOM 0 HB3 MET A 60 11.931 -62.168 -26.340 1.00 53.34 H new ATOM 0 HG2 MET A 60 9.636 -61.972 -27.251 1.00 43.14 H new ATOM 0 HG3 MET A 60 8.987 -61.924 -25.624 1.00 43.14 H new ATOM 0 HE1 MET A 60 8.390 -58.231 -25.842 1.00 52.12 H new ATOM 0 HE2 MET A 60 7.767 -59.657 -26.706 1.00 52.12 H new ATOM 0 HE3 MET A 60 8.051 -59.734 -24.951 1.00 52.12 H new ATOM 992 N LYS A 61 12.237 -64.900 -27.495 1.00 30.40 N ATOM 993 CA LYS A 61 12.506 -65.439 -28.823 1.00 44.40 C ATOM 994 C LYS A 61 11.838 -66.798 -29.005 1.00 44.21 C ATOM 995 O LYS A 61 11.209 -67.057 -30.030 1.00 60.03 O ATOM 996 CB LYS A 61 14.015 -65.566 -29.048 1.00 53.41 C ATOM 997 CG LYS A 61 14.391 -65.870 -30.488 1.00 24.34 C ATOM 998 CD LYS A 61 14.346 -67.362 -30.772 1.00 60.20 C ATOM 999 CE LYS A 61 15.308 -67.747 -31.886 1.00 10.14 C ATOM 1000 NZ LYS A 61 14.947 -69.052 -32.504 1.00 73.34 N ATOM 0 H LYS A 61 13.048 -64.878 -26.877 1.00 30.40 H new ATOM 0 HA LYS A 61 12.092 -64.749 -29.558 1.00 44.40 H new ATOM 0 HB2 LYS A 61 14.499 -64.638 -28.743 1.00 53.41 H new ATOM 0 HB3 LYS A 61 14.405 -66.355 -28.405 1.00 53.41 H new ATOM 0 HG2 LYS A 61 13.709 -65.350 -31.161 1.00 24.34 H new ATOM 0 HG3 LYS A 61 15.392 -65.490 -30.692 1.00 24.34 H new ATOM 0 HD2 LYS A 61 14.597 -67.914 -29.866 1.00 60.20 H new ATOM 0 HD3 LYS A 61 13.332 -67.650 -31.050 1.00 60.20 H new ATOM 0 HE2 LYS A 61 15.307 -66.970 -32.651 1.00 10.14 H new ATOM 0 HE3 LYS A 61 16.321 -67.802 -31.488 1.00 10.14 H new ATOM 0 HZ1 LYS A 61 15.626 -69.279 -33.258 1.00 73.34 H new ATOM 0 HZ2 LYS A 61 14.972 -69.798 -31.780 1.00 73.34 H new ATOM 0 HZ3 LYS A 61 13.990 -68.993 -32.906 1.00 73.34 H new ATOM 1014 N GLN A 62 11.979 -67.660 -28.004 1.00 30.15 N ATOM 1015 CA GLN A 62 11.388 -68.992 -28.054 1.00 71.13 C ATOM 1016 C GLN A 62 9.872 -68.921 -27.905 1.00 12.14 C ATOM 1017 O GLN A 62 9.146 -69.769 -28.424 1.00 62.22 O ATOM 1018 CB GLN A 62 11.980 -69.878 -26.956 1.00 54.24 C ATOM 1019 CG GLN A 62 13.336 -70.465 -27.313 1.00 52.41 C ATOM 1020 CD GLN A 62 14.485 -69.551 -26.935 1.00 12.21 C ATOM 1021 OE1 GLN A 62 14.484 -68.944 -25.863 1.00 60.33 O ATOM 1022 NE2 GLN A 62 15.474 -69.447 -27.815 1.00 73.31 N ATOM 0 H GLN A 62 12.497 -67.460 -27.148 1.00 30.15 H new ATOM 0 HA GLN A 62 11.619 -69.428 -29.026 1.00 71.13 H new ATOM 0 HB2 GLN A 62 12.076 -69.293 -26.041 1.00 54.24 H new ATOM 0 HB3 GLN A 62 11.286 -70.691 -26.743 1.00 54.24 H new ATOM 0 HG2 GLN A 62 13.457 -71.423 -26.808 1.00 52.41 H new ATOM 0 HG3 GLN A 62 13.371 -70.663 -28.384 1.00 52.41 H new ATOM 0 HE21 GLN A 62 15.434 -69.968 -28.691 1.00 73.31 H new ATOM 0 HE22 GLN A 62 16.274 -68.846 -27.615 1.00 73.31 H new ATOM 1031 N TYR A 63 9.400 -67.905 -27.191 1.00 51.54 N ATOM 1032 CA TYR A 63 7.970 -67.724 -26.971 1.00 31.31 C ATOM 1033 C TYR A 63 7.262 -67.347 -28.269 1.00 31.14 C ATOM 1034 O TYR A 63 6.075 -67.620 -28.444 1.00 23.40 O ATOM 1035 CB TYR A 63 7.728 -66.647 -25.913 1.00 14.42 C ATOM 1036 CG TYR A 63 6.307 -66.613 -25.397 1.00 54.13 C ATOM 1037 CD1 TYR A 63 5.843 -67.583 -24.517 1.00 1.10 C ATOM 1038 CD2 TYR A 63 5.427 -65.612 -25.791 1.00 42.11 C ATOM 1039 CE1 TYR A 63 4.545 -67.557 -24.044 1.00 3.31 C ATOM 1040 CE2 TYR A 63 4.128 -65.577 -25.322 1.00 4.10 C ATOM 1041 CZ TYR A 63 3.692 -66.551 -24.449 1.00 21.42 C ATOM 1042 OH TYR A 63 2.399 -66.521 -23.980 1.00 54.13 O ATOM 0 H TYR A 63 9.987 -67.194 -26.755 1.00 51.54 H new ATOM 0 HA TYR A 63 7.560 -68.670 -26.617 1.00 31.31 H new ATOM 0 HB2 TYR A 63 8.406 -66.813 -25.076 1.00 14.42 H new ATOM 0 HB3 TYR A 63 7.976 -65.673 -26.335 1.00 14.42 H new ATOM 0 HD1 TYR A 63 6.509 -68.371 -24.197 1.00 1.10 H new ATOM 0 HD2 TYR A 63 5.765 -64.848 -26.476 1.00 42.11 H new ATOM 0 HE1 TYR A 63 4.200 -68.320 -23.361 1.00 3.31 H new ATOM 0 HE2 TYR A 63 3.458 -64.791 -25.637 1.00 4.10 H new ATOM 0 HH TYR A 63 1.931 -65.749 -24.360 1.00 54.13 H new ATOM 1052 N GLY A 64 8.001 -66.717 -29.177 1.00 11.22 N ATOM 1053 CA GLY A 64 7.429 -66.312 -30.448 1.00 33.14 C ATOM 1054 C GLY A 64 7.838 -67.226 -31.585 1.00 64.13 C ATOM 1055 O GLY A 64 9.025 -67.372 -31.875 1.00 63.20 O ATOM 0 H GLY A 64 8.986 -66.480 -29.055 1.00 11.22 H new ATOM 0 HA2 GLY A 64 6.342 -66.302 -30.367 1.00 33.14 H new ATOM 0 HA3 GLY A 64 7.741 -65.293 -30.675 1.00 33.14 H new ATOM 1059 N GLU A 65 6.854 -67.844 -32.230 1.00 54.32 N ATOM 1060 CA GLU A 65 7.119 -68.750 -33.341 1.00 25.41 C ATOM 1061 C GLU A 65 6.970 -68.031 -34.678 1.00 41.13 C ATOM 1062 O GLU A 65 5.868 -67.644 -35.066 1.00 43.01 O ATOM 1063 CB GLU A 65 6.172 -69.951 -33.286 1.00 41.35 C ATOM 1064 CG GLU A 65 6.466 -70.907 -32.143 1.00 2.12 C ATOM 1065 CD GLU A 65 5.788 -70.497 -30.850 1.00 51.42 C ATOM 1066 OE1 GLU A 65 4.560 -70.697 -30.736 1.00 4.24 O ATOM 1067 OE2 GLU A 65 6.484 -69.975 -29.954 1.00 34.41 O ATOM 0 H GLU A 65 5.866 -67.734 -32.002 1.00 54.32 H new ATOM 0 HA GLU A 65 8.147 -69.102 -33.251 1.00 25.41 H new ATOM 0 HB2 GLU A 65 5.147 -69.591 -33.193 1.00 41.35 H new ATOM 0 HB3 GLU A 65 6.234 -70.495 -34.228 1.00 41.35 H new ATOM 0 HG2 GLU A 65 6.138 -71.909 -32.419 1.00 2.12 H new ATOM 0 HG3 GLU A 65 7.543 -70.957 -31.984 1.00 2.12 H new TER 1074 GLU A 65