USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 837 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 76 ASN : amide:sc= -2.1 K(o=-2.1,f=-12!) USER MOD Set 1.2: A 77 LYS NZ :NH3+ -167:sc= -0.012 (180deg=-0.242) USER MOD Set 2.1: A 66 GLN : amide:sc= -3.43! C(o=-3.4!,f=-4.2!) USER MOD Set 2.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 46 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 88 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.2!) USER MOD Set 4.1: A 44 ASN : amide:sc= -4.32! C(o=-9.9!,f=-10!) USER MOD Set 4.2: A 45 ASN : amide:sc= -3.07! C(o=-9.9!,f=-12!) USER MOD Set 4.3: A 79 SER OG : rot -34:sc= -2.48! USER MOD Set 5.1: A 11 LYS NZ :NH3+ 168:sc= -0.0063 (180deg=0) USER MOD Set 5.2: A 31 MET CE :methyl -144:sc= -0.0499 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 13 GLN : amide:sc= -0.438 X(o=-0.44,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.93 K(o=-0.93,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -149:sc= -1.4 (180deg=-2.07!) USER MOD Single : A 28 SER OG : rot 80:sc= 0.183 USER MOD Single : A 29 GLN : amide:sc= -0.043 X(o=-0.043,f=-0.14) USER MOD Single : A 33 THR OG1 : rot 4:sc= 0.812 USER MOD Single : A 35 ASN : amide:sc= -0.0354 X(o=-0.035,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.45) USER MOD Single : A 39 CYS SG : rot 124:sc= -7.9! USER MOD Single : A 48 ASN : amide:sc= -2.4 K(o=-2.4,f=-0.6) USER MOD Single : A 53 THR OG1 : rot -66:sc= 1.12 USER MOD Single : A 57 SER OG : rot 180:sc= -1.01 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 163:sc=-0.00128 (180deg=-0.129) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -4.33! K(o=-4.3!,f=-0.55) USER MOD Single : A 86 SER OG : rot 160:sc= -2.42! USER MOD Single : A 89 ASN : amide:sc= -0.103 K(o=-0.1,f=-7.2!) USER MOD Single : A 92 ASN : amide:sc= -8.34! C(o=-8.3!,f=-5.2!) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 3 -6.635 8.935 -0.702 1.00 0.00 N ATOM 42 CA LYS A 3 -7.696 9.898 -0.288 1.00 0.00 C ATOM 43 C LYS A 3 -8.239 9.504 1.091 1.00 0.00 C ATOM 44 O LYS A 3 -8.426 10.337 1.954 1.00 0.00 O ATOM 45 CB LYS A 3 -8.839 9.881 -1.314 1.00 0.00 C ATOM 46 CG LYS A 3 -8.273 9.929 -2.742 1.00 0.00 C ATOM 47 CD LYS A 3 -7.311 11.117 -2.893 1.00 0.00 C ATOM 48 CE LYS A 3 -7.053 11.387 -4.378 1.00 0.00 C ATOM 49 NZ LYS A 3 -6.126 12.546 -4.518 1.00 0.00 N ATOM 0 HA LYS A 3 -7.271 10.901 -0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.441 8.981 -1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.499 10.733 -1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.751 8.999 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.088 10.018 -3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.735 12.003 -2.421 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.371 10.903 -2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.622 10.504 -4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.993 11.595 -4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.950 12.730 -5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.554 13.388 -4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.226 12.330 -4.044 1.00 0.00 H new ATOM 63 N PHE A 4 -8.496 8.237 1.301 1.00 0.00 N ATOM 64 CA PHE A 4 -9.029 7.782 2.624 1.00 0.00 C ATOM 65 C PHE A 4 -7.873 7.436 3.567 1.00 0.00 C ATOM 66 O PHE A 4 -6.753 7.218 3.150 1.00 0.00 O ATOM 67 CB PHE A 4 -9.930 6.560 2.443 1.00 0.00 C ATOM 68 CG PHE A 4 -9.266 5.534 1.551 1.00 0.00 C ATOM 69 CD1 PHE A 4 -8.337 4.625 2.080 1.00 0.00 C ATOM 70 CD2 PHE A 4 -9.595 5.484 0.191 1.00 0.00 C ATOM 71 CE1 PHE A 4 -7.740 3.670 1.243 1.00 0.00 C ATOM 72 CE2 PHE A 4 -8.998 4.533 -0.642 1.00 0.00 C ATOM 73 CZ PHE A 4 -8.073 3.628 -0.119 1.00 0.00 C ATOM 0 H PHE A 4 -8.360 7.496 0.613 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.615 8.592 3.058 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.150 6.117 3.414 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.882 6.865 2.009 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.082 4.660 3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -10.312 6.182 -0.216 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.025 2.968 1.647 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.253 4.499 -1.691 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.613 2.894 -0.764 1.00 0.00 H new ATOM 83 N THR A 5 -8.146 7.397 4.847 1.00 0.00 N ATOM 84 CA THR A 5 -7.086 7.083 5.853 1.00 0.00 C ATOM 85 C THR A 5 -7.005 5.579 6.084 1.00 0.00 C ATOM 86 O THR A 5 -7.914 4.832 5.777 1.00 0.00 O ATOM 87 CB THR A 5 -7.392 7.771 7.182 1.00 0.00 C ATOM 88 OG1 THR A 5 -6.479 7.311 8.168 1.00 0.00 O ATOM 89 CG2 THR A 5 -8.818 7.443 7.615 1.00 0.00 C ATOM 0 H THR A 5 -9.070 7.572 5.242 1.00 0.00 H new ATOM 0 HA THR A 5 -6.134 7.446 5.465 1.00 0.00 H new ATOM 0 HB THR A 5 -7.292 8.850 7.064 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.671 7.751 9.022 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.033 7.935 8.563 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.518 7.794 6.857 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.923 6.365 7.734 1.00 0.00 H new ATOM 97 N GLU A 6 -5.911 5.140 6.623 1.00 0.00 N ATOM 98 CA GLU A 6 -5.722 3.684 6.891 1.00 0.00 C ATOM 99 C GLU A 6 -6.961 3.112 7.587 1.00 0.00 C ATOM 100 O GLU A 6 -7.412 2.033 7.268 1.00 0.00 O ATOM 101 CB GLU A 6 -4.491 3.483 7.782 1.00 0.00 C ATOM 102 CG GLU A 6 -4.667 4.253 9.096 1.00 0.00 C ATOM 103 CD GLU A 6 -3.331 4.309 9.842 1.00 0.00 C ATOM 104 OE1 GLU A 6 -2.464 5.051 9.408 1.00 0.00 O ATOM 105 OE2 GLU A 6 -3.199 3.611 10.833 1.00 0.00 O ATOM 0 H GLU A 6 -5.125 5.731 6.895 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.576 3.163 5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.350 2.422 7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.596 3.829 7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.024 5.263 8.892 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.421 3.767 9.716 1.00 0.00 H new ATOM 112 N GLU A 7 -7.521 3.824 8.533 1.00 0.00 N ATOM 113 CA GLU A 7 -8.729 3.312 9.241 1.00 0.00 C ATOM 114 C GLU A 7 -9.766 2.843 8.211 1.00 0.00 C ATOM 115 O GLU A 7 -10.442 1.843 8.390 1.00 0.00 O ATOM 116 CB GLU A 7 -9.319 4.440 10.100 1.00 0.00 C ATOM 117 CG GLU A 7 -10.289 3.852 11.125 1.00 0.00 C ATOM 118 CD GLU A 7 -11.062 4.981 11.811 1.00 0.00 C ATOM 119 OE1 GLU A 7 -10.968 6.105 11.347 1.00 0.00 O ATOM 120 OE2 GLU A 7 -11.735 4.701 12.789 1.00 0.00 O ATOM 0 H GLU A 7 -7.192 4.738 8.844 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.457 2.471 9.879 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.520 4.979 10.609 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.836 5.160 9.466 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.983 3.170 10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.741 3.271 11.867 1.00 0.00 H new ATOM 127 N GLU A 8 -9.881 3.548 7.123 1.00 0.00 N ATOM 128 CA GLU A 8 -10.851 3.142 6.079 1.00 0.00 C ATOM 129 C GLU A 8 -10.371 1.830 5.471 1.00 0.00 C ATOM 130 O GLU A 8 -11.132 0.909 5.269 1.00 0.00 O ATOM 131 CB GLU A 8 -10.893 4.222 5.002 1.00 0.00 C ATOM 132 CG GLU A 8 -12.160 4.086 4.156 1.00 0.00 C ATOM 133 CD GLU A 8 -13.380 4.498 4.985 1.00 0.00 C ATOM 134 OE1 GLU A 8 -13.185 5.057 6.052 1.00 0.00 O ATOM 135 OE2 GLU A 8 -14.487 4.249 4.537 1.00 0.00 O ATOM 0 H GLU A 8 -9.343 4.389 6.914 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.847 3.014 6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.863 5.208 5.466 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.013 4.142 4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.084 4.712 3.267 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.272 3.057 3.813 1.00 0.00 H new ATOM 142 N ASP A 9 -9.096 1.754 5.179 1.00 0.00 N ATOM 143 CA ASP A 9 -8.527 0.505 4.580 1.00 0.00 C ATOM 144 C ASP A 9 -9.052 -0.711 5.352 1.00 0.00 C ATOM 145 O ASP A 9 -9.279 -1.777 4.804 1.00 0.00 O ATOM 146 CB ASP A 9 -6.998 0.545 4.676 1.00 0.00 C ATOM 147 CG ASP A 9 -6.404 -0.571 3.817 1.00 0.00 C ATOM 148 OD1 ASP A 9 -6.277 -1.675 4.321 1.00 0.00 O ATOM 149 OD2 ASP A 9 -6.086 -0.304 2.671 1.00 0.00 O ATOM 0 H ASP A 9 -8.422 2.505 5.330 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.825 0.433 3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.627 1.513 4.340 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.685 0.426 5.713 1.00 0.00 H new ATOM 154 N LEU A 10 -9.271 -0.537 6.624 1.00 0.00 N ATOM 155 CA LEU A 10 -9.800 -1.651 7.455 1.00 0.00 C ATOM 156 C LEU A 10 -11.276 -1.840 7.096 1.00 0.00 C ATOM 157 O LEU A 10 -11.785 -2.944 7.042 1.00 0.00 O ATOM 158 CB LEU A 10 -9.654 -1.303 8.955 1.00 0.00 C ATOM 159 CG LEU A 10 -8.400 -0.450 9.183 1.00 0.00 C ATOM 160 CD1 LEU A 10 -8.246 -0.160 10.675 1.00 0.00 C ATOM 161 CD2 LEU A 10 -7.161 -1.191 8.670 1.00 0.00 C ATOM 0 H LEU A 10 -9.105 0.335 7.127 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.245 -2.569 7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.537 -0.763 9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.592 -2.218 9.543 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.501 0.489 8.638 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.355 0.446 10.838 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.123 0.380 11.033 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.151 -1.099 11.220 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.275 -0.578 8.836 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.054 -2.135 9.205 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.271 -1.388 7.604 1.00 0.00 H new ATOM 173 N LYS A 11 -11.958 -0.758 6.834 1.00 0.00 N ATOM 174 CA LYS A 11 -13.391 -0.856 6.464 1.00 0.00 C ATOM 175 C LYS A 11 -13.500 -1.673 5.173 1.00 0.00 C ATOM 176 O LYS A 11 -14.510 -2.284 4.893 1.00 0.00 O ATOM 177 CB LYS A 11 -13.953 0.566 6.259 1.00 0.00 C ATOM 178 CG LYS A 11 -15.461 0.580 6.526 1.00 0.00 C ATOM 179 CD LYS A 11 -16.050 1.926 6.089 1.00 0.00 C ATOM 180 CE LYS A 11 -17.487 2.049 6.601 1.00 0.00 C ATOM 181 NZ LYS A 11 -18.145 3.220 5.955 1.00 0.00 N ATOM 0 H LYS A 11 -11.580 0.189 6.861 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.965 -1.348 7.250 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.451 1.264 6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.753 0.901 5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.944 -0.233 5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.654 0.414 7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.443 2.743 6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.033 2.006 5.002 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.043 1.138 6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.490 2.169 7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.168 3.189 6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.749 4.099 6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.977 3.190 4.929 1.00 0.00 H new ATOM 195 N LEU A 12 -12.451 -1.695 4.394 1.00 0.00 N ATOM 196 CA LEU A 12 -12.467 -2.475 3.133 1.00 0.00 C ATOM 197 C LEU A 12 -12.385 -3.955 3.467 1.00 0.00 C ATOM 198 O LEU A 12 -13.107 -4.760 2.935 1.00 0.00 O ATOM 199 CB LEU A 12 -11.261 -2.089 2.286 1.00 0.00 C ATOM 200 CG LEU A 12 -11.168 -0.568 2.176 1.00 0.00 C ATOM 201 CD1 LEU A 12 -9.979 -0.200 1.280 1.00 0.00 C ATOM 202 CD2 LEU A 12 -12.471 -0.005 1.582 1.00 0.00 C ATOM 0 H LEU A 12 -11.579 -1.200 4.583 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.384 -2.267 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.350 -2.486 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.347 -2.530 1.293 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.022 -0.138 3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.907 0.885 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.060 -0.592 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.123 -0.630 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.397 1.080 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.631 -0.428 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.309 -0.268 2.228 1.00 0.00 H new ATOM 214 N GLN A 13 -11.513 -4.332 4.352 1.00 0.00 N ATOM 215 CA GLN A 13 -11.412 -5.781 4.692 1.00 0.00 C ATOM 216 C GLN A 13 -12.807 -6.300 5.062 1.00 0.00 C ATOM 217 O GLN A 13 -13.181 -7.404 4.722 1.00 0.00 O ATOM 218 CB GLN A 13 -10.467 -5.951 5.886 1.00 0.00 C ATOM 219 CG GLN A 13 -10.355 -7.431 6.274 1.00 0.00 C ATOM 220 CD GLN A 13 -9.375 -7.569 7.436 1.00 0.00 C ATOM 221 OE1 GLN A 13 -8.536 -8.447 7.441 1.00 0.00 O ATOM 222 NE2 GLN A 13 -9.447 -6.728 8.430 1.00 0.00 N ATOM 0 H GLN A 13 -10.873 -3.714 4.851 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.025 -6.341 3.841 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.481 -5.559 5.636 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.835 -5.373 6.734 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.333 -7.820 6.558 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.013 -8.018 5.422 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.152 -5.991 8.424 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.798 -6.807 9.213 1.00 0.00 H new ATOM 231 N GLN A 14 -13.584 -5.505 5.745 1.00 0.00 N ATOM 232 CA GLN A 14 -14.961 -5.952 6.132 1.00 0.00 C ATOM 233 C GLN A 14 -15.956 -5.745 4.983 1.00 0.00 C ATOM 234 O GLN A 14 -16.648 -6.656 4.579 1.00 0.00 O ATOM 235 CB GLN A 14 -15.442 -5.143 7.327 1.00 0.00 C ATOM 236 CG GLN A 14 -14.401 -5.205 8.446 1.00 0.00 C ATOM 237 CD GLN A 14 -14.947 -4.505 9.692 1.00 0.00 C ATOM 238 OE1 GLN A 14 -14.516 -4.780 10.795 1.00 0.00 O ATOM 239 NE2 GLN A 14 -15.883 -3.607 9.563 1.00 0.00 N ATOM 0 H GLN A 14 -13.330 -4.567 6.053 1.00 0.00 H new ATOM 0 HA GLN A 14 -14.910 -7.013 6.376 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.612 -4.107 7.032 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.395 -5.534 7.682 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.160 -6.243 8.676 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.476 -4.727 8.123 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.244 -3.376 8.637 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -16.254 -3.135 10.388 1.00 0.00 H new ATOM 248 N LEU A 15 -16.055 -4.551 4.469 1.00 0.00 N ATOM 249 CA LEU A 15 -17.028 -4.301 3.368 1.00 0.00 C ATOM 250 C LEU A 15 -16.714 -5.240 2.213 1.00 0.00 C ATOM 251 O LEU A 15 -17.570 -5.939 1.710 1.00 0.00 O ATOM 252 CB LEU A 15 -16.908 -2.851 2.886 1.00 0.00 C ATOM 253 CG LEU A 15 -17.383 -1.876 3.978 1.00 0.00 C ATOM 254 CD1 LEU A 15 -17.010 -0.448 3.562 1.00 0.00 C ATOM 255 CD2 LEU A 15 -18.914 -1.974 4.176 1.00 0.00 C ATOM 0 H LEU A 15 -15.508 -3.741 4.761 1.00 0.00 H new ATOM 0 HA LEU A 15 -18.041 -4.475 3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -15.873 -2.634 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.502 -2.712 1.983 1.00 0.00 H new ATOM 0 HG LEU A 15 -16.899 -2.135 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -17.342 0.253 4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.929 -0.374 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.494 -0.207 2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -19.226 -1.276 4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -19.418 -1.727 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -19.178 -2.989 4.473 1.00 0.00 H new ATOM 267 N VAL A 16 -15.486 -5.258 1.795 1.00 0.00 N ATOM 268 CA VAL A 16 -15.095 -6.142 0.674 1.00 0.00 C ATOM 269 C VAL A 16 -15.393 -7.591 1.048 1.00 0.00 C ATOM 270 O VAL A 16 -15.763 -8.386 0.208 1.00 0.00 O ATOM 271 CB VAL A 16 -13.602 -5.981 0.385 1.00 0.00 C ATOM 272 CG1 VAL A 16 -13.237 -6.792 -0.858 1.00 0.00 C ATOM 273 CG2 VAL A 16 -13.273 -4.499 0.142 1.00 0.00 C ATOM 0 H VAL A 16 -14.731 -4.694 2.185 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.661 -5.871 -0.217 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.030 -6.340 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.173 -6.679 -1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.463 -7.844 -0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.814 -6.432 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.208 -4.392 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.845 -4.134 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.532 -3.919 1.028 1.00 0.00 H new ATOM 283 N MET A 17 -15.253 -7.955 2.299 1.00 0.00 N ATOM 284 CA MET A 17 -15.557 -9.354 2.676 1.00 0.00 C ATOM 285 C MET A 17 -17.039 -9.610 2.395 1.00 0.00 C ATOM 286 O MET A 17 -17.439 -10.707 2.061 1.00 0.00 O ATOM 287 CB MET A 17 -15.244 -9.568 4.161 1.00 0.00 C ATOM 288 CG MET A 17 -15.739 -10.943 4.604 1.00 0.00 C ATOM 289 SD MET A 17 -15.038 -11.346 6.223 1.00 0.00 S ATOM 290 CE MET A 17 -16.297 -12.547 6.721 1.00 0.00 C ATOM 0 H MET A 17 -14.946 -7.349 3.059 1.00 0.00 H new ATOM 0 HA MET A 17 -14.948 -10.049 2.098 1.00 0.00 H new ATOM 0 HB2 MET A 17 -14.170 -9.486 4.331 1.00 0.00 H new ATOM 0 HB3 MET A 17 -15.721 -8.791 4.758 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.828 -10.950 4.656 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.450 -11.698 3.873 1.00 0.00 H new ATOM 0 HE1 MET A 17 -16.059 -12.934 7.712 1.00 0.00 H new ATOM 0 HE2 MET A 17 -17.273 -12.062 6.745 1.00 0.00 H new ATOM 0 HE3 MET A 17 -16.318 -13.370 6.006 1.00 0.00 H new ATOM 300 N ARG A 18 -17.860 -8.597 2.521 1.00 0.00 N ATOM 301 CA ARG A 18 -19.315 -8.777 2.250 1.00 0.00 C ATOM 302 C ARG A 18 -19.557 -8.786 0.735 1.00 0.00 C ATOM 303 O ARG A 18 -20.508 -9.371 0.256 1.00 0.00 O ATOM 304 CB ARG A 18 -20.096 -7.623 2.882 1.00 0.00 C ATOM 305 CG ARG A 18 -21.597 -7.881 2.736 1.00 0.00 C ATOM 306 CD ARG A 18 -22.377 -6.774 3.447 1.00 0.00 C ATOM 307 NE ARG A 18 -22.183 -6.898 4.919 1.00 0.00 N ATOM 308 CZ ARG A 18 -22.770 -7.861 5.578 1.00 0.00 C ATOM 309 NH1 ARG A 18 -23.527 -8.717 4.947 1.00 0.00 N ATOM 310 NH2 ARG A 18 -22.599 -7.967 6.867 1.00 0.00 N ATOM 0 H ARG A 18 -17.584 -7.655 2.800 1.00 0.00 H new ATOM 0 HA ARG A 18 -19.650 -9.722 2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.834 -7.527 3.936 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.829 -6.683 2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -21.870 -7.913 1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.853 -8.851 3.161 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -22.036 -5.797 3.105 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -23.437 -6.845 3.202 1.00 0.00 H new ATOM 0 HE ARG A 18 -21.591 -6.230 5.413 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -23.660 -8.634 3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -23.985 -9.469 5.462 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -22.007 -7.298 7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -23.057 -8.719 7.382 1.00 0.00 H new ATOM 324 N TYR A 19 -18.703 -8.138 -0.024 1.00 0.00 N ATOM 325 CA TYR A 19 -18.872 -8.096 -1.514 1.00 0.00 C ATOM 326 C TYR A 19 -17.926 -9.107 -2.165 1.00 0.00 C ATOM 327 O TYR A 19 -17.953 -9.317 -3.362 1.00 0.00 O ATOM 328 CB TYR A 19 -18.529 -6.692 -2.022 1.00 0.00 C ATOM 329 CG TYR A 19 -19.474 -5.685 -1.394 1.00 0.00 C ATOM 330 CD1 TYR A 19 -20.840 -5.730 -1.700 1.00 0.00 C ATOM 331 CD2 TYR A 19 -18.990 -4.717 -0.501 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.720 -4.813 -1.114 1.00 0.00 C ATOM 333 CE2 TYR A 19 -19.872 -3.799 0.081 1.00 0.00 C ATOM 334 CZ TYR A 19 -21.236 -3.847 -0.225 1.00 0.00 C ATOM 335 OH TYR A 19 -22.105 -2.943 0.352 1.00 0.00 O ATOM 0 H TYR A 19 -17.890 -7.633 0.328 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.903 -8.342 -1.769 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.497 -6.445 -1.772 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.611 -6.656 -3.108 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -21.215 -6.473 -2.389 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.937 -4.680 -0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.774 -4.851 -1.348 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.499 -3.053 0.767 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.606 -2.342 0.944 1.00 0.00 H new ATOM 345 N GLY A 20 -17.086 -9.731 -1.386 1.00 0.00 N ATOM 346 CA GLY A 20 -16.128 -10.725 -1.947 1.00 0.00 C ATOM 347 C GLY A 20 -14.919 -9.989 -2.519 1.00 0.00 C ATOM 348 O GLY A 20 -13.837 -10.053 -1.978 1.00 0.00 O ATOM 0 H GLY A 20 -17.022 -9.594 -0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.811 -11.421 -1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -16.612 -11.315 -2.726 1.00 0.00 H new ATOM 352 N ALA A 21 -15.121 -9.282 -3.606 1.00 0.00 N ATOM 353 CA ALA A 21 -14.016 -8.505 -4.270 1.00 0.00 C ATOM 354 C ALA A 21 -14.392 -8.274 -5.743 1.00 0.00 C ATOM 355 O ALA A 21 -13.620 -8.543 -6.642 1.00 0.00 O ATOM 356 CB ALA A 21 -12.678 -9.274 -4.186 1.00 0.00 C ATOM 0 H ALA A 21 -16.024 -9.207 -4.074 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.891 -7.550 -3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.894 -8.694 -4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.415 -9.434 -3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.780 -10.237 -4.686 1.00 0.00 H new ATOM 362 N LYS A 22 -15.577 -7.784 -6.006 1.00 0.00 N ATOM 363 CA LYS A 22 -15.981 -7.554 -7.433 1.00 0.00 C ATOM 364 C LYS A 22 -17.068 -6.472 -7.550 1.00 0.00 C ATOM 365 O LYS A 22 -17.392 -6.049 -8.643 1.00 0.00 O ATOM 366 CB LYS A 22 -16.507 -8.864 -8.019 1.00 0.00 C ATOM 367 CG LYS A 22 -17.790 -9.281 -7.289 1.00 0.00 C ATOM 368 CD LYS A 22 -18.147 -10.729 -7.645 1.00 0.00 C ATOM 369 CE LYS A 22 -18.253 -10.885 -9.167 1.00 0.00 C ATOM 370 NZ LYS A 22 -18.944 -9.698 -9.745 1.00 0.00 N ATOM 0 H LYS A 22 -16.277 -7.535 -5.307 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.105 -7.210 -7.983 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.706 -8.743 -9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.753 -9.645 -7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.653 -9.186 -6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.609 -8.617 -7.566 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.387 -11.406 -7.254 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -19.092 -11.005 -7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.259 -10.987 -9.602 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.803 -11.794 -9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.473 -9.983 -10.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.603 -9.304 -9.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.240 -8.977 -10.002 1.00 0.00 H new ATOM 384 N ASP A 23 -17.630 -6.009 -6.453 1.00 0.00 N ATOM 385 CA ASP A 23 -18.687 -4.943 -6.521 1.00 0.00 C ATOM 386 C ASP A 23 -18.096 -3.636 -5.996 1.00 0.00 C ATOM 387 O ASP A 23 -18.674 -2.964 -5.167 1.00 0.00 O ATOM 388 CB ASP A 23 -19.886 -5.357 -5.654 1.00 0.00 C ATOM 389 CG ASP A 23 -20.187 -6.840 -5.877 1.00 0.00 C ATOM 390 OD1 ASP A 23 -20.524 -7.194 -6.994 1.00 0.00 O ATOM 391 OD2 ASP A 23 -20.076 -7.597 -4.927 1.00 0.00 O ATOM 0 H ASP A 23 -17.401 -6.325 -5.511 1.00 0.00 H new ATOM 0 HA ASP A 23 -19.022 -4.810 -7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.669 -5.173 -4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.758 -4.755 -5.909 1.00 0.00 H new ATOM 396 N TRP A 24 -16.939 -3.281 -6.475 1.00 0.00 N ATOM 397 CA TRP A 24 -16.288 -2.027 -6.012 1.00 0.00 C ATOM 398 C TRP A 24 -17.138 -0.823 -6.413 1.00 0.00 C ATOM 399 O TRP A 24 -16.929 0.279 -5.946 1.00 0.00 O ATOM 400 CB TRP A 24 -14.901 -1.923 -6.642 1.00 0.00 C ATOM 401 CG TRP A 24 -14.101 -3.109 -6.227 1.00 0.00 C ATOM 402 CD1 TRP A 24 -13.919 -4.234 -6.956 1.00 0.00 C ATOM 403 CD2 TRP A 24 -13.383 -3.302 -4.988 1.00 0.00 C ATOM 404 NE1 TRP A 24 -13.125 -5.107 -6.232 1.00 0.00 N ATOM 405 CE2 TRP A 24 -12.770 -4.573 -5.008 1.00 0.00 C ATOM 406 CE3 TRP A 24 -13.210 -2.495 -3.859 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -12.006 -5.027 -3.934 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.444 -2.942 -2.780 1.00 0.00 C ATOM 409 CH2 TRP A 24 -11.841 -4.206 -2.814 1.00 0.00 C ATOM 0 H TRP A 24 -16.413 -3.809 -7.172 1.00 0.00 H new ATOM 0 HA TRP A 24 -16.193 -2.041 -4.926 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -14.981 -1.882 -7.728 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -14.409 -1.004 -6.324 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -14.325 -4.420 -7.939 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.838 -6.029 -6.561 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -13.672 -1.519 -3.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.546 -6.004 -3.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -12.316 -2.309 -1.914 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.250 -4.546 -1.977 1.00 0.00 H new ATOM 420 N ILE A 25 -18.108 -1.025 -7.261 1.00 0.00 N ATOM 421 CA ILE A 25 -18.978 0.104 -7.671 1.00 0.00 C ATOM 422 C ILE A 25 -19.894 0.451 -6.499 1.00 0.00 C ATOM 423 O ILE A 25 -20.226 1.595 -6.273 1.00 0.00 O ATOM 424 CB ILE A 25 -19.817 -0.301 -8.895 1.00 0.00 C ATOM 425 CG1 ILE A 25 -20.334 -1.735 -8.717 1.00 0.00 C ATOM 426 CG2 ILE A 25 -18.956 -0.230 -10.161 1.00 0.00 C ATOM 427 CD1 ILE A 25 -21.396 -2.032 -9.777 1.00 0.00 C ATOM 0 H ILE A 25 -18.333 -1.925 -7.686 1.00 0.00 H new ATOM 0 HA ILE A 25 -18.372 0.969 -7.940 1.00 0.00 H new ATOM 0 HB ILE A 25 -20.660 0.383 -8.989 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -19.510 -2.443 -8.805 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -20.756 -1.859 -7.720 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -19.555 -0.518 -11.025 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -18.590 0.788 -10.296 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -18.109 -0.910 -10.064 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -21.762 -3.051 -9.650 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -22.224 -1.332 -9.668 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -20.959 -1.925 -10.770 1.00 0.00 H new ATOM 439 N ARG A 26 -20.295 -0.534 -5.743 1.00 0.00 N ATOM 440 CA ARG A 26 -21.182 -0.268 -4.584 1.00 0.00 C ATOM 441 C ARG A 26 -20.341 0.292 -3.447 1.00 0.00 C ATOM 442 O ARG A 26 -20.690 1.269 -2.818 1.00 0.00 O ATOM 443 CB ARG A 26 -21.843 -1.572 -4.129 1.00 0.00 C ATOM 444 CG ARG A 26 -22.916 -1.989 -5.136 1.00 0.00 C ATOM 445 CD ARG A 26 -23.493 -3.341 -4.722 1.00 0.00 C ATOM 446 NE ARG A 26 -24.650 -3.680 -5.598 1.00 0.00 N ATOM 447 CZ ARG A 26 -25.153 -4.884 -5.582 1.00 0.00 C ATOM 448 NH1 ARG A 26 -24.643 -5.794 -4.797 1.00 0.00 N ATOM 449 NH2 ARG A 26 -26.165 -5.179 -6.350 1.00 0.00 N ATOM 0 H ARG A 26 -20.044 -1.513 -5.881 1.00 0.00 H new ATOM 0 HA ARG A 26 -21.956 0.445 -4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -21.093 -2.358 -4.037 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -22.289 -1.440 -3.143 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -23.706 -1.239 -5.175 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -22.488 -2.054 -6.136 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -22.728 -4.113 -4.798 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -23.810 -3.309 -3.680 1.00 0.00 H new ATOM 0 HE ARG A 26 -25.049 -2.970 -6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -23.851 -5.564 -4.196 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -25.036 -6.735 -4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.564 -4.468 -6.964 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.558 -6.120 -6.337 1.00 0.00 H new ATOM 463 N ILE A 27 -19.231 -0.327 -3.176 1.00 0.00 N ATOM 464 CA ILE A 27 -18.367 0.166 -2.078 1.00 0.00 C ATOM 465 C ILE A 27 -18.008 1.629 -2.332 1.00 0.00 C ATOM 466 O ILE A 27 -17.901 2.423 -1.417 1.00 0.00 O ATOM 467 CB ILE A 27 -17.089 -0.670 -2.012 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.464 -2.147 -1.828 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.240 -0.197 -0.829 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.211 -3.027 -1.916 1.00 0.00 C ATOM 0 H ILE A 27 -18.886 -1.152 -3.667 1.00 0.00 H new ATOM 0 HA ILE A 27 -18.901 0.081 -1.132 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.518 -0.555 -2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.950 -2.289 -0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.181 -2.446 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.327 -0.790 -0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -15.983 0.854 -0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.805 -0.318 0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.490 -4.072 -1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.743 -2.897 -2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.508 -2.738 -1.135 1.00 0.00 H new ATOM 482 N SER A 28 -17.819 1.994 -3.570 1.00 0.00 N ATOM 483 CA SER A 28 -17.462 3.406 -3.879 1.00 0.00 C ATOM 484 C SER A 28 -18.691 4.300 -3.703 1.00 0.00 C ATOM 485 O SER A 28 -18.579 5.465 -3.381 1.00 0.00 O ATOM 486 CB SER A 28 -16.963 3.499 -5.319 1.00 0.00 C ATOM 487 OG SER A 28 -15.690 2.876 -5.413 1.00 0.00 O ATOM 0 H SER A 28 -17.896 1.377 -4.379 1.00 0.00 H new ATOM 0 HA SER A 28 -16.677 3.738 -3.199 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.669 3.014 -5.993 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.894 4.543 -5.626 1.00 0.00 H new ATOM 0 HG SER A 28 -15.805 1.905 -5.472 1.00 0.00 H new ATOM 493 N GLN A 29 -19.865 3.767 -3.910 1.00 0.00 N ATOM 494 CA GLN A 29 -21.090 4.604 -3.749 1.00 0.00 C ATOM 495 C GLN A 29 -21.196 5.060 -2.291 1.00 0.00 C ATOM 496 O GLN A 29 -21.592 6.174 -2.008 1.00 0.00 O ATOM 497 CB GLN A 29 -22.333 3.787 -4.140 1.00 0.00 C ATOM 498 CG GLN A 29 -22.453 3.712 -5.674 1.00 0.00 C ATOM 499 CD GLN A 29 -23.067 5.007 -6.216 1.00 0.00 C ATOM 500 OE1 GLN A 29 -24.147 5.394 -5.817 1.00 0.00 O ATOM 501 NE2 GLN A 29 -22.419 5.696 -7.115 1.00 0.00 N ATOM 0 H GLN A 29 -20.029 2.797 -4.181 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.028 5.478 -4.398 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -22.264 2.782 -3.723 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -23.227 4.246 -3.719 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -21.470 3.553 -6.117 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -23.071 2.860 -5.957 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -21.512 5.371 -7.450 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -22.819 6.559 -7.482 1.00 0.00 H new ATOM 510 N LEU A 30 -20.833 4.217 -1.365 1.00 0.00 N ATOM 511 CA LEU A 30 -20.903 4.619 0.067 1.00 0.00 C ATOM 512 C LEU A 30 -19.860 5.708 0.325 1.00 0.00 C ATOM 513 O LEU A 30 -20.155 6.740 0.894 1.00 0.00 O ATOM 514 CB LEU A 30 -20.619 3.403 0.960 1.00 0.00 C ATOM 515 CG LEU A 30 -21.372 2.178 0.430 1.00 0.00 C ATOM 516 CD1 LEU A 30 -21.157 1.002 1.386 1.00 0.00 C ATOM 517 CD2 LEU A 30 -22.872 2.490 0.326 1.00 0.00 C ATOM 0 H LEU A 30 -20.492 3.271 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 30 -21.898 5.000 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -19.548 3.200 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.926 3.614 1.984 1.00 0.00 H new ATOM 0 HG LEU A 30 -20.994 1.921 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -21.691 0.128 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.093 0.776 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -21.534 1.263 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.400 1.615 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -23.259 2.750 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.023 3.327 -0.356 1.00 0.00 H new ATOM 529 N MET A 31 -18.640 5.479 -0.102 1.00 0.00 N ATOM 530 CA MET A 31 -17.545 6.487 0.096 1.00 0.00 C ATOM 531 C MET A 31 -17.154 7.081 -1.258 1.00 0.00 C ATOM 532 O MET A 31 -16.038 6.938 -1.708 1.00 0.00 O ATOM 533 CB MET A 31 -16.329 5.790 0.712 1.00 0.00 C ATOM 534 CG MET A 31 -16.636 5.405 2.160 1.00 0.00 C ATOM 535 SD MET A 31 -16.698 6.897 3.183 1.00 0.00 S ATOM 536 CE MET A 31 -17.585 6.175 4.586 1.00 0.00 C ATOM 0 H MET A 31 -18.352 4.628 -0.585 1.00 0.00 H new ATOM 0 HA MET A 31 -17.890 7.281 0.758 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.076 4.901 0.135 1.00 0.00 H new ATOM 0 HB3 MET A 31 -15.462 6.450 0.677 1.00 0.00 H new ATOM 0 HG2 MET A 31 -17.587 4.876 2.213 1.00 0.00 H new ATOM 0 HG3 MET A 31 -15.872 4.725 2.536 1.00 0.00 H new ATOM 0 HE1 MET A 31 -18.266 6.915 5.005 1.00 0.00 H new ATOM 0 HE2 MET A 31 -18.153 5.308 4.250 1.00 0.00 H new ATOM 0 HE3 MET A 31 -16.870 5.867 5.349 1.00 0.00 H new ATOM 546 N ILE A 32 -18.063 7.751 -1.912 1.00 0.00 N ATOM 547 CA ILE A 32 -17.745 8.358 -3.240 1.00 0.00 C ATOM 548 C ILE A 32 -16.428 9.141 -3.160 1.00 0.00 C ATOM 549 O ILE A 32 -15.855 9.517 -4.163 1.00 0.00 O ATOM 550 CB ILE A 32 -18.873 9.311 -3.635 1.00 0.00 C ATOM 551 CG1 ILE A 32 -19.173 10.246 -2.461 1.00 0.00 C ATOM 552 CG2 ILE A 32 -20.130 8.505 -3.975 1.00 0.00 C ATOM 553 CD1 ILE A 32 -20.216 11.278 -2.882 1.00 0.00 C ATOM 0 H ILE A 32 -19.016 7.906 -1.584 1.00 0.00 H new ATOM 0 HA ILE A 32 -17.645 7.566 -3.982 1.00 0.00 H new ATOM 0 HB ILE A 32 -18.571 9.894 -4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -19.538 9.672 -1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -18.260 10.747 -2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -20.934 9.186 -4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -19.917 7.832 -4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.435 7.923 -3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -20.428 11.943 -2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -19.834 11.861 -3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -21.132 10.768 -3.182 1.00 0.00 H new ATOM 565 N THR A 33 -15.951 9.393 -1.974 1.00 0.00 N ATOM 566 CA THR A 33 -14.679 10.157 -1.822 1.00 0.00 C ATOM 567 C THR A 33 -13.523 9.396 -2.481 1.00 0.00 C ATOM 568 O THR A 33 -12.389 9.829 -2.444 1.00 0.00 O ATOM 569 CB THR A 33 -14.376 10.349 -0.334 1.00 0.00 C ATOM 570 OG1 THR A 33 -13.025 10.763 -0.178 1.00 0.00 O ATOM 571 CG2 THR A 33 -14.598 9.033 0.412 1.00 0.00 C ATOM 0 H THR A 33 -16.388 9.102 -1.099 1.00 0.00 H new ATOM 0 HA THR A 33 -14.788 11.128 -2.306 1.00 0.00 H new ATOM 0 HB THR A 33 -15.041 11.110 0.076 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.616 10.883 -1.060 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.381 9.174 1.471 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.634 8.717 0.293 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.937 8.268 0.005 1.00 0.00 H new ATOM 579 N ARG A 34 -13.793 8.266 -3.086 1.00 0.00 N ATOM 580 CA ARG A 34 -12.698 7.485 -3.746 1.00 0.00 C ATOM 581 C ARG A 34 -13.273 6.727 -4.943 1.00 0.00 C ATOM 582 O ARG A 34 -14.470 6.549 -5.052 1.00 0.00 O ATOM 583 CB ARG A 34 -12.107 6.491 -2.735 1.00 0.00 C ATOM 584 CG ARG A 34 -13.155 5.410 -2.367 1.00 0.00 C ATOM 585 CD ARG A 34 -12.992 4.986 -0.899 1.00 0.00 C ATOM 586 NE ARG A 34 -13.984 3.921 -0.575 1.00 0.00 N ATOM 587 CZ ARG A 34 -13.831 3.186 0.492 1.00 0.00 C ATOM 588 NH1 ARG A 34 -12.800 3.373 1.270 1.00 0.00 N ATOM 589 NH2 ARG A 34 -14.707 2.263 0.781 1.00 0.00 N ATOM 0 H ARG A 34 -14.722 7.850 -3.152 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.914 8.160 -4.089 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.220 6.018 -3.156 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -11.790 7.021 -1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -14.160 5.798 -2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -13.038 4.544 -3.018 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.980 4.620 -0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -13.137 5.845 -0.243 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.784 3.767 -1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.114 4.093 1.044 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.680 2.799 2.104 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.512 2.116 0.172 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.586 1.689 1.615 1.00 0.00 H new ATOM 603 N ASN A 35 -12.431 6.290 -5.850 1.00 0.00 N ATOM 604 CA ASN A 35 -12.929 5.553 -7.057 1.00 0.00 C ATOM 605 C ASN A 35 -12.808 4.035 -6.838 1.00 0.00 C ATOM 606 O ASN A 35 -11.932 3.584 -6.132 1.00 0.00 O ATOM 607 CB ASN A 35 -12.090 5.965 -8.274 1.00 0.00 C ATOM 608 CG ASN A 35 -11.908 7.484 -8.275 1.00 0.00 C ATOM 609 OD1 ASN A 35 -10.813 7.976 -8.462 1.00 0.00 O ATOM 610 ND2 ASN A 35 -12.943 8.253 -8.074 1.00 0.00 N ATOM 0 H ASN A 35 -11.419 6.412 -5.807 1.00 0.00 H new ATOM 0 HA ASN A 35 -13.977 5.801 -7.226 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.119 5.471 -8.244 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.581 5.646 -9.193 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.833 9.267 -8.074 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.862 7.840 -7.917 1.00 0.00 H new ATOM 617 N PRO A 36 -13.665 3.237 -7.447 1.00 0.00 N ATOM 618 CA PRO A 36 -13.599 1.755 -7.300 1.00 0.00 C ATOM 619 C PRO A 36 -12.158 1.242 -7.386 1.00 0.00 C ATOM 620 O PRO A 36 -11.738 0.387 -6.631 1.00 0.00 O ATOM 621 CB PRO A 36 -14.423 1.249 -8.492 1.00 0.00 C ATOM 622 CG PRO A 36 -15.449 2.312 -8.724 1.00 0.00 C ATOM 623 CD PRO A 36 -14.782 3.641 -8.335 1.00 0.00 C ATOM 0 HA PRO A 36 -13.972 1.413 -6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.797 1.104 -9.373 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.890 0.289 -8.271 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.767 2.326 -9.767 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.340 2.132 -8.122 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.420 4.178 -9.212 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.480 4.303 -7.822 1.00 0.00 H new ATOM 631 N ARG A 37 -11.410 1.760 -8.317 1.00 0.00 N ATOM 632 CA ARG A 37 -10.006 1.323 -8.492 1.00 0.00 C ATOM 633 C ARG A 37 -9.172 1.699 -7.263 1.00 0.00 C ATOM 634 O ARG A 37 -8.175 1.073 -6.968 1.00 0.00 O ATOM 635 CB ARG A 37 -9.429 2.014 -9.728 1.00 0.00 C ATOM 636 CG ARG A 37 -8.076 1.398 -10.067 1.00 0.00 C ATOM 637 CD ARG A 37 -7.547 2.000 -11.371 1.00 0.00 C ATOM 638 NE ARG A 37 -7.739 3.478 -11.351 1.00 0.00 N ATOM 639 CZ ARG A 37 -7.605 4.169 -12.450 1.00 0.00 C ATOM 640 NH1 ARG A 37 -7.301 3.567 -13.568 1.00 0.00 N ATOM 641 NH2 ARG A 37 -7.775 5.463 -12.433 1.00 0.00 N ATOM 0 H ARG A 37 -11.720 2.478 -8.972 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.977 0.240 -8.614 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.112 1.906 -10.571 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.318 3.082 -9.543 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.369 1.581 -9.258 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.173 0.317 -10.167 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.490 1.762 -11.491 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.071 1.566 -12.223 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.975 3.950 -10.478 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.168 2.556 -13.583 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.197 4.108 -14.426 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.013 5.935 -11.560 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.670 6.002 -13.292 1.00 0.00 H new ATOM 655 N GLN A 38 -9.553 2.729 -6.556 1.00 0.00 N ATOM 656 CA GLN A 38 -8.753 3.144 -5.368 1.00 0.00 C ATOM 657 C GLN A 38 -8.896 2.133 -4.228 1.00 0.00 C ATOM 658 O GLN A 38 -7.924 1.785 -3.588 1.00 0.00 O ATOM 659 CB GLN A 38 -9.212 4.522 -4.889 1.00 0.00 C ATOM 660 CG GLN A 38 -8.857 5.576 -5.943 1.00 0.00 C ATOM 661 CD GLN A 38 -7.343 5.803 -5.956 1.00 0.00 C ATOM 662 OE1 GLN A 38 -6.632 5.197 -6.732 1.00 0.00 O ATOM 663 NE2 GLN A 38 -6.817 6.657 -5.120 1.00 0.00 N ATOM 0 H GLN A 38 -10.378 3.297 -6.748 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.704 3.187 -5.663 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.288 4.517 -4.712 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.734 4.766 -3.940 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.194 5.249 -6.927 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.373 6.511 -5.724 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.414 7.166 -4.468 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.809 6.815 -5.119 1.00 0.00 H new ATOM 672 N CYS A 39 -10.081 1.644 -3.952 1.00 0.00 N ATOM 673 CA CYS A 39 -10.210 0.660 -2.842 1.00 0.00 C ATOM 674 C CYS A 39 -9.738 -0.702 -3.338 1.00 0.00 C ATOM 675 O CYS A 39 -9.256 -1.520 -2.582 1.00 0.00 O ATOM 676 CB CYS A 39 -11.664 0.567 -2.398 1.00 0.00 C ATOM 677 SG CYS A 39 -12.255 2.202 -1.920 1.00 0.00 S ATOM 0 H CYS A 39 -10.946 1.880 -4.438 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.603 0.979 -1.995 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.277 0.169 -3.207 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.755 -0.124 -1.560 1.00 0.00 H new ATOM 0 HG CYS A 39 -13.313 2.501 -2.614 1.00 0.00 H new ATOM 683 N ARG A 40 -9.866 -0.947 -4.612 1.00 0.00 N ATOM 684 CA ARG A 40 -9.412 -2.250 -5.162 1.00 0.00 C ATOM 685 C ARG A 40 -7.911 -2.389 -4.912 1.00 0.00 C ATOM 686 O ARG A 40 -7.437 -3.407 -4.450 1.00 0.00 O ATOM 687 CB ARG A 40 -9.694 -2.284 -6.667 1.00 0.00 C ATOM 688 CG ARG A 40 -9.053 -3.521 -7.325 1.00 0.00 C ATOM 689 CD ARG A 40 -9.454 -4.798 -6.577 1.00 0.00 C ATOM 690 NE ARG A 40 -9.202 -5.979 -7.448 1.00 0.00 N ATOM 691 CZ ARG A 40 -9.500 -7.179 -7.026 1.00 0.00 C ATOM 692 NH1 ARG A 40 -10.019 -7.343 -5.839 1.00 0.00 N ATOM 693 NH2 ARG A 40 -9.279 -8.213 -7.791 1.00 0.00 N ATOM 0 H ARG A 40 -10.265 -0.301 -5.293 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.942 -3.071 -4.679 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.770 -2.294 -6.838 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.306 -1.378 -7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.367 -3.589 -8.367 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.968 -3.419 -7.325 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.884 -4.886 -5.652 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.507 -4.755 -6.299 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.796 -5.851 -8.375 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.192 -6.534 -5.242 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.252 -8.280 -5.509 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.874 -8.084 -8.718 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.512 -9.150 -7.462 1.00 0.00 H new ATOM 707 N GLU A 41 -7.162 -1.362 -5.213 1.00 0.00 N ATOM 708 CA GLU A 41 -5.692 -1.422 -4.993 1.00 0.00 C ATOM 709 C GLU A 41 -5.413 -1.854 -3.553 1.00 0.00 C ATOM 710 O GLU A 41 -4.425 -2.503 -3.273 1.00 0.00 O ATOM 711 CB GLU A 41 -5.079 -0.038 -5.245 1.00 0.00 C ATOM 712 CG GLU A 41 -5.068 0.254 -6.749 1.00 0.00 C ATOM 713 CD GLU A 41 -4.727 1.729 -6.982 1.00 0.00 C ATOM 714 OE1 GLU A 41 -5.484 2.570 -6.526 1.00 0.00 O ATOM 715 OE2 GLU A 41 -3.715 1.991 -7.612 1.00 0.00 O ATOM 0 H GLU A 41 -7.507 -0.484 -5.602 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.248 -2.142 -5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.653 0.726 -4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.064 -0.002 -4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.337 -0.382 -7.248 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.041 0.022 -7.182 1.00 0.00 H new ATOM 722 N ARG A 42 -6.276 -1.506 -2.635 1.00 0.00 N ATOM 723 CA ARG A 42 -6.037 -1.915 -1.218 1.00 0.00 C ATOM 724 C ARG A 42 -6.182 -3.435 -1.090 1.00 0.00 C ATOM 725 O ARG A 42 -5.431 -4.083 -0.392 1.00 0.00 O ATOM 726 CB ARG A 42 -7.052 -1.234 -0.299 1.00 0.00 C ATOM 727 CG ARG A 42 -7.009 0.288 -0.495 1.00 0.00 C ATOM 728 CD ARG A 42 -5.592 0.831 -0.228 1.00 0.00 C ATOM 729 NE ARG A 42 -4.773 0.715 -1.468 1.00 0.00 N ATOM 730 CZ ARG A 42 -3.558 1.194 -1.494 1.00 0.00 C ATOM 731 NH1 ARG A 42 -3.062 1.775 -0.437 1.00 0.00 N ATOM 732 NH2 ARG A 42 -2.841 1.092 -2.579 1.00 0.00 N ATOM 0 H ARG A 42 -7.124 -0.964 -2.800 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.030 -1.616 -0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.054 -1.607 -0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.835 -1.480 0.740 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.314 0.538 -1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.720 0.767 0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.644 1.872 0.090 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.124 0.273 0.583 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.161 0.262 -2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.623 1.856 0.411 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.113 2.149 -0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.229 0.639 -3.406 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.892 1.466 -2.600 1.00 0.00 H new ATOM 746 N TRP A 43 -7.152 -4.007 -1.748 1.00 0.00 N ATOM 747 CA TRP A 43 -7.362 -5.483 -1.655 1.00 0.00 C ATOM 748 C TRP A 43 -6.043 -6.229 -1.818 1.00 0.00 C ATOM 749 O TRP A 43 -5.641 -6.957 -0.946 1.00 0.00 O ATOM 750 CB TRP A 43 -8.305 -5.904 -2.784 1.00 0.00 C ATOM 751 CG TRP A 43 -8.660 -7.357 -2.667 1.00 0.00 C ATOM 752 CD1 TRP A 43 -8.352 -8.304 -3.585 1.00 0.00 C ATOM 753 CD2 TRP A 43 -9.391 -8.042 -1.606 1.00 0.00 C ATOM 754 NE1 TRP A 43 -8.844 -9.522 -3.156 1.00 0.00 N ATOM 755 CE2 TRP A 43 -9.489 -9.415 -1.940 1.00 0.00 C ATOM 756 CE3 TRP A 43 -9.970 -7.615 -0.397 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -10.137 -10.327 -1.107 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -10.623 -8.531 0.444 1.00 0.00 C ATOM 759 CH2 TRP A 43 -10.705 -9.885 0.090 1.00 0.00 C ATOM 0 H TRP A 43 -7.812 -3.515 -2.350 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.782 -5.724 -0.678 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.212 -5.300 -2.751 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.832 -5.717 -3.748 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.810 -8.135 -4.504 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -8.743 -10.394 -3.675 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.912 -6.575 -0.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.199 -11.369 -1.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -11.065 -8.190 1.369 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.207 -10.585 0.742 1.00 0.00 H new ATOM 770 N ASN A 44 -5.363 -6.047 -2.913 1.00 0.00 N ATOM 771 CA ASN A 44 -4.076 -6.779 -3.122 1.00 0.00 C ATOM 772 C ASN A 44 -2.936 -6.145 -2.327 1.00 0.00 C ATOM 773 O ASN A 44 -2.164 -6.831 -1.686 1.00 0.00 O ATOM 774 CB ASN A 44 -3.727 -6.756 -4.613 1.00 0.00 C ATOM 775 CG ASN A 44 -3.787 -5.317 -5.129 1.00 0.00 C ATOM 776 OD1 ASN A 44 -2.798 -4.612 -5.113 1.00 0.00 O ATOM 777 ND2 ASN A 44 -4.915 -4.850 -5.590 1.00 0.00 N ATOM 0 H ASN A 44 -5.638 -5.425 -3.673 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.202 -7.804 -2.773 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.731 -7.169 -4.771 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.423 -7.383 -5.170 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.967 -3.892 -5.937 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.745 -5.443 -5.603 1.00 0.00 H new ATOM 784 N ASN A 45 -2.791 -4.853 -2.388 1.00 0.00 N ATOM 785 CA ASN A 45 -1.663 -4.198 -1.661 1.00 0.00 C ATOM 786 C ASN A 45 -1.980 -4.024 -0.175 1.00 0.00 C ATOM 787 O ASN A 45 -1.330 -3.253 0.502 1.00 0.00 O ATOM 788 CB ASN A 45 -1.396 -2.827 -2.283 1.00 0.00 C ATOM 789 CG ASN A 45 -0.992 -2.999 -3.748 1.00 0.00 C ATOM 790 OD1 ASN A 45 -0.382 -3.986 -4.110 1.00 0.00 O ATOM 791 ND2 ASN A 45 -1.309 -2.075 -4.614 1.00 0.00 N ATOM 0 H ASN A 45 -3.401 -4.221 -2.907 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.784 -4.836 -1.748 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.288 -2.204 -2.212 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.605 -2.315 -1.735 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.045 -2.182 -5.593 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.821 -1.246 -4.311 1.00 0.00 H new ATOM 798 N TYR A 46 -2.951 -4.726 0.359 1.00 0.00 N ATOM 799 CA TYR A 46 -3.248 -4.571 1.823 1.00 0.00 C ATOM 800 C TYR A 46 -3.790 -5.891 2.396 1.00 0.00 C ATOM 801 O TYR A 46 -3.205 -6.453 3.301 1.00 0.00 O ATOM 802 CB TYR A 46 -4.252 -3.410 2.028 1.00 0.00 C ATOM 803 CG TYR A 46 -3.878 -2.603 3.266 1.00 0.00 C ATOM 804 CD1 TYR A 46 -3.758 -3.247 4.504 1.00 0.00 C ATOM 805 CD2 TYR A 46 -3.647 -1.221 3.174 1.00 0.00 C ATOM 806 CE1 TYR A 46 -3.412 -2.515 5.646 1.00 0.00 C ATOM 807 CE2 TYR A 46 -3.302 -0.490 4.316 1.00 0.00 C ATOM 808 CZ TYR A 46 -3.184 -1.137 5.552 1.00 0.00 C ATOM 809 OH TYR A 46 -2.843 -0.417 6.679 1.00 0.00 O ATOM 0 H TYR A 46 -3.542 -5.389 -0.143 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.331 -4.329 2.360 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.255 -2.763 1.151 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.261 -3.807 2.135 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.933 -4.310 4.578 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.736 -0.722 2.220 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.321 -3.013 6.600 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.127 0.573 4.244 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.719 0.525 6.440 1.00 0.00 H new ATOM 819 N ILE A 47 -4.893 -6.402 1.887 1.00 0.00 N ATOM 820 CA ILE A 47 -5.443 -7.696 2.426 1.00 0.00 C ATOM 821 C ILE A 47 -6.067 -8.545 1.299 1.00 0.00 C ATOM 822 O ILE A 47 -6.990 -8.147 0.617 1.00 0.00 O ATOM 823 CB ILE A 47 -6.462 -7.432 3.579 1.00 0.00 C ATOM 824 CG1 ILE A 47 -7.884 -7.098 3.074 1.00 0.00 C ATOM 825 CG2 ILE A 47 -5.975 -6.271 4.450 1.00 0.00 C ATOM 826 CD1 ILE A 47 -7.873 -5.829 2.219 1.00 0.00 C ATOM 0 H ILE A 47 -5.432 -5.984 1.129 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.615 -8.268 2.845 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.520 -8.359 4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.273 -7.932 2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.554 -6.964 3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.691 -6.093 5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.004 -6.520 4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.882 -5.372 3.840 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.884 -5.613 1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.506 -4.993 2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.220 -5.976 1.358 1.00 0.00 H new ATOM 838 N ASN A 48 -5.539 -9.730 1.116 1.00 0.00 N ATOM 839 CA ASN A 48 -6.046 -10.676 0.070 1.00 0.00 C ATOM 840 C ASN A 48 -5.248 -11.993 0.158 1.00 0.00 C ATOM 841 O ASN A 48 -5.817 -13.065 0.101 1.00 0.00 O ATOM 842 CB ASN A 48 -5.919 -10.037 -1.348 1.00 0.00 C ATOM 843 CG ASN A 48 -5.091 -10.904 -2.317 1.00 0.00 C ATOM 844 OD1 ASN A 48 -5.598 -11.848 -2.892 1.00 0.00 O ATOM 845 ND2 ASN A 48 -3.832 -10.616 -2.517 1.00 0.00 N ATOM 0 H ASN A 48 -4.757 -10.091 1.662 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.101 -10.886 0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.915 -9.884 -1.764 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.456 -9.054 -1.259 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.274 -11.183 -3.156 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.407 -9.824 -2.035 1.00 0.00 H new ATOM 852 N PRO A 49 -3.939 -11.917 0.263 1.00 0.00 N ATOM 853 CA PRO A 49 -3.061 -13.108 0.320 1.00 0.00 C ATOM 854 C PRO A 49 -2.632 -13.448 1.755 1.00 0.00 C ATOM 855 O PRO A 49 -3.371 -14.044 2.513 1.00 0.00 O ATOM 856 CB PRO A 49 -1.867 -12.638 -0.528 1.00 0.00 C ATOM 857 CG PRO A 49 -1.761 -11.146 -0.260 1.00 0.00 C ATOM 858 CD PRO A 49 -3.116 -10.699 0.344 1.00 0.00 C ATOM 0 HA PRO A 49 -3.537 -14.022 -0.034 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.952 -13.157 -0.243 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.031 -12.839 -1.587 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.943 -10.935 0.429 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.551 -10.602 -1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.005 -10.356 1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.557 -9.877 -0.220 1.00 0.00 H new ATOM 866 N ALA A 50 -1.443 -13.066 2.125 1.00 0.00 N ATOM 867 CA ALA A 50 -0.942 -13.351 3.499 1.00 0.00 C ATOM 868 C ALA A 50 0.430 -12.701 3.643 1.00 0.00 C ATOM 869 O ALA A 50 1.271 -13.139 4.403 1.00 0.00 O ATOM 870 CB ALA A 50 -0.822 -14.864 3.706 1.00 0.00 C ATOM 0 H ALA A 50 -0.788 -12.562 1.527 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.632 -12.953 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.455 -15.066 4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.800 -15.328 3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.125 -15.277 2.976 1.00 0.00 H new ATOM 876 N LEU A 51 0.655 -11.656 2.898 1.00 0.00 N ATOM 877 CA LEU A 51 1.965 -10.949 2.949 1.00 0.00 C ATOM 878 C LEU A 51 2.225 -10.391 4.350 1.00 0.00 C ATOM 879 O LEU A 51 3.183 -9.678 4.569 1.00 0.00 O ATOM 880 CB LEU A 51 1.981 -9.808 1.915 1.00 0.00 C ATOM 881 CG LEU A 51 0.699 -8.932 2.011 1.00 0.00 C ATOM 882 CD1 LEU A 51 0.796 -7.934 3.182 1.00 0.00 C ATOM 883 CD2 LEU A 51 0.516 -8.154 0.696 1.00 0.00 C ATOM 0 H LEU A 51 -0.021 -11.256 2.248 1.00 0.00 H new ATOM 0 HA LEU A 51 2.755 -11.662 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.861 -9.185 2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.063 -10.226 0.912 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.154 -9.587 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.113 -7.335 3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.915 -8.481 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.655 -7.280 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.382 -7.539 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.383 -7.515 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.417 -8.856 -0.132 1.00 0.00 H new ATOM 895 N ARG A 52 1.387 -10.708 5.306 1.00 0.00 N ATOM 896 CA ARG A 52 1.600 -10.190 6.690 1.00 0.00 C ATOM 897 C ARG A 52 3.054 -10.427 7.109 1.00 0.00 C ATOM 898 O ARG A 52 3.540 -9.853 8.064 1.00 0.00 O ATOM 899 CB ARG A 52 0.665 -10.921 7.657 1.00 0.00 C ATOM 900 CG ARG A 52 -0.787 -10.589 7.311 1.00 0.00 C ATOM 901 CD ARG A 52 -1.709 -11.132 8.404 1.00 0.00 C ATOM 902 NE ARG A 52 -1.338 -10.525 9.714 1.00 0.00 N ATOM 903 CZ ARG A 52 -2.135 -10.646 10.740 1.00 0.00 C ATOM 904 NH1 ARG A 52 -3.259 -11.299 10.621 1.00 0.00 N ATOM 905 NH2 ARG A 52 -1.809 -10.114 11.887 1.00 0.00 N ATOM 0 H ARG A 52 0.566 -11.302 5.187 1.00 0.00 H new ATOM 0 HA ARG A 52 1.386 -9.121 6.714 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.828 -11.997 7.594 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.882 -10.625 8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.912 -9.510 7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.051 -11.025 6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.748 -10.902 8.166 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.627 -12.218 8.458 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.460 -10.014 9.808 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.515 -11.715 9.726 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.882 -11.393 11.423 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.931 -9.604 11.981 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.432 -10.209 12.689 1.00 0.00 H new ATOM 919 N THR A 53 3.754 -11.271 6.394 1.00 0.00 N ATOM 920 CA THR A 53 5.184 -11.555 6.731 1.00 0.00 C ATOM 921 C THR A 53 5.972 -11.797 5.440 1.00 0.00 C ATOM 922 O THR A 53 6.519 -12.861 5.229 1.00 0.00 O ATOM 923 CB THR A 53 5.259 -12.805 7.613 1.00 0.00 C ATOM 924 OG1 THR A 53 6.593 -13.295 7.625 1.00 0.00 O ATOM 925 CG2 THR A 53 4.323 -13.880 7.058 1.00 0.00 C ATOM 0 H THR A 53 3.395 -11.779 5.586 1.00 0.00 H new ATOM 0 HA THR A 53 5.609 -10.705 7.265 1.00 0.00 H new ATOM 0 HB THR A 53 4.956 -12.552 8.629 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.836 -13.605 6.728 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.377 -14.769 7.686 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.300 -13.503 7.050 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.624 -14.135 6.042 1.00 0.00 H new ATOM 933 N ASP A 54 6.036 -10.811 4.575 1.00 0.00 N ATOM 934 CA ASP A 54 6.788 -10.960 3.285 1.00 0.00 C ATOM 935 C ASP A 54 7.635 -9.704 3.056 1.00 0.00 C ATOM 936 O ASP A 54 7.272 -8.842 2.281 1.00 0.00 O ATOM 937 CB ASP A 54 5.789 -11.120 2.134 1.00 0.00 C ATOM 938 CG ASP A 54 5.176 -12.522 2.177 1.00 0.00 C ATOM 939 OD1 ASP A 54 5.163 -13.108 3.247 1.00 0.00 O ATOM 940 OD2 ASP A 54 4.731 -12.985 1.140 1.00 0.00 O ATOM 0 H ASP A 54 5.595 -9.901 4.709 1.00 0.00 H new ATOM 0 HA ASP A 54 7.434 -11.837 3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.005 -10.367 2.212 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.290 -10.960 1.179 1.00 0.00 H new ATOM 945 N PRO A 55 8.755 -9.594 3.731 1.00 0.00 N ATOM 946 CA PRO A 55 9.655 -8.419 3.599 1.00 0.00 C ATOM 947 C PRO A 55 10.621 -8.566 2.420 1.00 0.00 C ATOM 948 O PRO A 55 11.188 -9.617 2.194 1.00 0.00 O ATOM 949 CB PRO A 55 10.410 -8.428 4.928 1.00 0.00 C ATOM 950 CG PRO A 55 10.567 -9.882 5.239 1.00 0.00 C ATOM 951 CD PRO A 55 9.297 -10.572 4.698 1.00 0.00 C ATOM 0 HA PRO A 55 9.116 -7.492 3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.376 -7.931 4.843 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.853 -7.910 5.708 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.462 -10.287 4.768 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.671 -10.042 6.312 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.531 -11.523 4.219 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.585 -10.784 5.496 1.00 0.00 H new ATOM 959 N TRP A 56 10.810 -7.517 1.670 1.00 0.00 N ATOM 960 CA TRP A 56 11.740 -7.587 0.502 1.00 0.00 C ATOM 961 C TRP A 56 13.190 -7.432 0.988 1.00 0.00 C ATOM 962 O TRP A 56 13.466 -7.506 2.170 1.00 0.00 O ATOM 963 CB TRP A 56 11.379 -6.497 -0.533 1.00 0.00 C ATOM 964 CG TRP A 56 10.717 -5.314 0.111 1.00 0.00 C ATOM 965 CD1 TRP A 56 9.416 -5.255 0.492 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.289 -4.011 0.421 1.00 0.00 C ATOM 967 NE1 TRP A 56 9.151 -3.989 0.992 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.276 -3.190 0.976 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.574 -3.467 0.271 1.00 0.00 C ATOM 970 CZ2 TRP A 56 10.534 -1.875 1.362 1.00 0.00 C ATOM 971 CZ3 TRP A 56 12.837 -2.149 0.662 1.00 0.00 C ATOM 972 CH2 TRP A 56 11.820 -1.352 1.205 1.00 0.00 C ATOM 0 H TRP A 56 10.362 -6.612 1.813 1.00 0.00 H new ATOM 0 HA TRP A 56 11.640 -8.557 0.015 1.00 0.00 H new ATOM 0 HB2 TRP A 56 12.283 -6.172 -1.048 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.715 -6.918 -1.288 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.703 -6.063 0.418 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.238 -3.686 1.330 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.366 -4.070 -0.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 9.746 -1.266 1.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 13.831 -1.743 0.544 1.00 0.00 H new ATOM 0 HH2 TRP A 56 12.030 -0.335 1.502 1.00 0.00 H new ATOM 983 N SER A 57 14.121 -7.252 0.076 1.00 0.00 N ATOM 984 CA SER A 57 15.571 -7.128 0.453 1.00 0.00 C ATOM 985 C SER A 57 16.195 -5.910 -0.267 1.00 0.00 C ATOM 986 O SER A 57 15.523 -5.216 -1.005 1.00 0.00 O ATOM 987 CB SER A 57 16.275 -8.442 0.053 1.00 0.00 C ATOM 988 OG SER A 57 17.072 -8.898 1.139 1.00 0.00 O ATOM 0 H SER A 57 13.936 -7.185 -0.925 1.00 0.00 H new ATOM 0 HA SER A 57 15.686 -6.967 1.525 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.536 -9.198 -0.213 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.897 -8.281 -0.827 1.00 0.00 H new ATOM 0 HG SER A 57 17.519 -9.733 0.889 1.00 0.00 H new ATOM 994 N PRO A 58 17.469 -5.646 -0.047 1.00 0.00 N ATOM 995 CA PRO A 58 18.184 -4.486 -0.677 1.00 0.00 C ATOM 996 C PRO A 58 17.927 -4.357 -2.186 1.00 0.00 C ATOM 997 O PRO A 58 18.220 -3.344 -2.790 1.00 0.00 O ATOM 998 CB PRO A 58 19.660 -4.783 -0.387 1.00 0.00 C ATOM 999 CG PRO A 58 19.625 -5.516 0.911 1.00 0.00 C ATOM 1000 CD PRO A 58 18.388 -6.413 0.827 1.00 0.00 C ATOM 0 HA PRO A 58 17.840 -3.534 -0.274 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.109 -5.387 -1.176 1.00 0.00 H new ATOM 0 HB3 PRO A 58 20.246 -3.867 -0.314 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.530 -6.105 1.056 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.556 -4.826 1.752 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.626 -7.388 0.403 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.953 -6.591 1.810 1.00 0.00 H new ATOM 1008 N GLU A 59 17.388 -5.374 -2.796 1.00 0.00 N ATOM 1009 CA GLU A 59 17.118 -5.322 -4.251 1.00 0.00 C ATOM 1010 C GLU A 59 15.983 -4.345 -4.500 1.00 0.00 C ATOM 1011 O GLU A 59 16.084 -3.465 -5.329 1.00 0.00 O ATOM 1012 CB GLU A 59 16.719 -6.712 -4.750 1.00 0.00 C ATOM 1013 CG GLU A 59 17.844 -7.705 -4.451 1.00 0.00 C ATOM 1014 CD GLU A 59 17.514 -9.058 -5.085 1.00 0.00 C ATOM 1015 OE1 GLU A 59 16.682 -9.084 -5.978 1.00 0.00 O ATOM 1016 OE2 GLU A 59 18.099 -10.044 -4.669 1.00 0.00 O ATOM 0 H GLU A 59 17.122 -6.247 -2.340 1.00 0.00 H new ATOM 0 HA GLU A 59 18.012 -4.997 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.798 -7.033 -4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.521 -6.682 -5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 59 18.789 -7.329 -4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.968 -7.817 -3.374 1.00 0.00 H new ATOM 1023 N GLU A 60 14.900 -4.471 -3.778 1.00 0.00 N ATOM 1024 CA GLU A 60 13.779 -3.521 -3.980 1.00 0.00 C ATOM 1025 C GLU A 60 14.143 -2.205 -3.303 1.00 0.00 C ATOM 1026 O GLU A 60 13.636 -1.170 -3.648 1.00 0.00 O ATOM 1027 CB GLU A 60 12.494 -4.084 -3.379 1.00 0.00 C ATOM 1028 CG GLU A 60 12.133 -5.397 -4.078 1.00 0.00 C ATOM 1029 CD GLU A 60 10.721 -5.826 -3.673 1.00 0.00 C ATOM 1030 OE1 GLU A 60 9.913 -4.953 -3.401 1.00 0.00 O ATOM 1031 OE2 GLU A 60 10.473 -7.020 -3.642 1.00 0.00 O ATOM 0 H GLU A 60 14.749 -5.185 -3.065 1.00 0.00 H new ATOM 0 HA GLU A 60 13.612 -3.361 -5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.624 -4.253 -2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.682 -3.365 -3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.189 -5.272 -5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.850 -6.172 -3.809 1.00 0.00 H new ATOM 1038 N ASP A 61 15.035 -2.231 -2.347 1.00 0.00 N ATOM 1039 CA ASP A 61 15.430 -0.958 -1.681 1.00 0.00 C ATOM 1040 C ASP A 61 16.106 -0.066 -2.722 1.00 0.00 C ATOM 1041 O ASP A 61 15.682 1.042 -2.979 1.00 0.00 O ATOM 1042 CB ASP A 61 16.410 -1.245 -0.532 1.00 0.00 C ATOM 1043 CG ASP A 61 16.473 -0.041 0.414 1.00 0.00 C ATOM 1044 OD1 ASP A 61 15.492 0.200 1.099 1.00 0.00 O ATOM 1045 OD2 ASP A 61 17.498 0.620 0.433 1.00 0.00 O ATOM 0 H ASP A 61 15.502 -3.070 -2.003 1.00 0.00 H new ATOM 0 HA ASP A 61 14.550 -0.464 -1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.092 -2.132 0.016 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.402 -1.456 -0.932 1.00 0.00 H new ATOM 1050 N MET A 62 17.152 -0.555 -3.330 1.00 0.00 N ATOM 1051 CA MET A 62 17.852 0.246 -4.362 1.00 0.00 C ATOM 1052 C MET A 62 16.879 0.529 -5.504 1.00 0.00 C ATOM 1053 O MET A 62 16.918 1.576 -6.121 1.00 0.00 O ATOM 1054 CB MET A 62 19.055 -0.537 -4.893 1.00 0.00 C ATOM 1055 CG MET A 62 20.098 -0.685 -3.784 1.00 0.00 C ATOM 1056 SD MET A 62 21.531 -1.588 -4.421 1.00 0.00 S ATOM 1057 CE MET A 62 22.322 -1.913 -2.825 1.00 0.00 C ATOM 0 H MET A 62 17.550 -1.477 -3.153 1.00 0.00 H new ATOM 0 HA MET A 62 18.202 1.184 -3.931 1.00 0.00 H new ATOM 0 HB2 MET A 62 18.737 -1.520 -5.242 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.490 -0.020 -5.749 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.404 0.297 -3.424 1.00 0.00 H new ATOM 0 HG3 MET A 62 19.668 -1.216 -2.934 1.00 0.00 H new ATOM 0 HE1 MET A 62 23.244 -2.472 -2.983 1.00 0.00 H new ATOM 0 HE2 MET A 62 22.550 -0.968 -2.333 1.00 0.00 H new ATOM 0 HE3 MET A 62 21.648 -2.496 -2.197 1.00 0.00 H new ATOM 1067 N LEU A 63 15.997 -0.396 -5.791 1.00 0.00 N ATOM 1068 CA LEU A 63 15.014 -0.167 -6.899 1.00 0.00 C ATOM 1069 C LEU A 63 13.894 0.757 -6.385 1.00 0.00 C ATOM 1070 O LEU A 63 13.276 1.487 -7.131 1.00 0.00 O ATOM 1071 CB LEU A 63 14.433 -1.529 -7.352 1.00 0.00 C ATOM 1072 CG LEU A 63 14.116 -1.525 -8.858 1.00 0.00 C ATOM 1073 CD1 LEU A 63 13.470 -2.861 -9.237 1.00 0.00 C ATOM 1074 CD2 LEU A 63 13.155 -0.373 -9.197 1.00 0.00 C ATOM 0 H LEU A 63 15.914 -1.293 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 63 15.502 0.305 -7.752 1.00 0.00 H new ATOM 0 HB2 LEU A 63 15.145 -2.323 -7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.526 -1.747 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 63 15.040 -1.387 -9.419 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.242 -2.866 -10.303 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.158 -3.675 -9.009 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.549 -2.994 -8.669 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.939 -0.382 -10.265 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.227 -0.497 -8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.617 0.577 -8.928 1.00 0.00 H new ATOM 1086 N LEU A 64 13.641 0.726 -5.106 1.00 0.00 N ATOM 1087 CA LEU A 64 12.574 1.588 -4.519 1.00 0.00 C ATOM 1088 C LEU A 64 13.117 3.004 -4.361 1.00 0.00 C ATOM 1089 O LEU A 64 12.452 3.969 -4.664 1.00 0.00 O ATOM 1090 CB LEU A 64 12.166 1.013 -3.148 1.00 0.00 C ATOM 1091 CG LEU A 64 11.177 1.962 -2.395 1.00 0.00 C ATOM 1092 CD1 LEU A 64 10.139 1.135 -1.612 1.00 0.00 C ATOM 1093 CD2 LEU A 64 11.927 2.849 -1.381 1.00 0.00 C ATOM 0 H LEU A 64 14.132 0.135 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 64 11.699 1.612 -5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.700 0.037 -3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.056 0.858 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 64 10.689 2.585 -3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.456 1.807 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.576 0.509 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.650 0.503 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.216 3.499 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.431 2.218 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.664 3.457 -1.905 1.00 0.00 H new ATOM 1105 N ASP A 65 14.326 3.138 -3.890 1.00 0.00 N ATOM 1106 CA ASP A 65 14.913 4.496 -3.713 1.00 0.00 C ATOM 1107 C ASP A 65 14.733 5.306 -5.000 1.00 0.00 C ATOM 1108 O ASP A 65 14.616 6.514 -4.973 1.00 0.00 O ATOM 1109 CB ASP A 65 16.405 4.366 -3.401 1.00 0.00 C ATOM 1110 CG ASP A 65 16.959 5.725 -2.971 1.00 0.00 C ATOM 1111 OD1 ASP A 65 16.267 6.425 -2.251 1.00 0.00 O ATOM 1112 OD2 ASP A 65 18.067 6.043 -3.370 1.00 0.00 O ATOM 0 H ASP A 65 14.934 2.365 -3.620 1.00 0.00 H new ATOM 0 HA ASP A 65 14.409 5.004 -2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.559 3.632 -2.610 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.940 4.005 -4.279 1.00 0.00 H new ATOM 1117 N GLN A 66 14.712 4.647 -6.125 1.00 0.00 N ATOM 1118 CA GLN A 66 14.539 5.380 -7.414 1.00 0.00 C ATOM 1119 C GLN A 66 13.086 5.849 -7.543 1.00 0.00 C ATOM 1120 O GLN A 66 12.818 6.961 -7.953 1.00 0.00 O ATOM 1121 CB GLN A 66 14.901 4.444 -8.582 1.00 0.00 C ATOM 1122 CG GLN A 66 15.216 5.260 -9.843 1.00 0.00 C ATOM 1123 CD GLN A 66 13.961 5.999 -10.310 1.00 0.00 C ATOM 1124 OE1 GLN A 66 13.047 5.396 -10.838 1.00 0.00 O ATOM 1125 NE2 GLN A 66 13.877 7.291 -10.140 1.00 0.00 N ATOM 0 H GLN A 66 14.807 3.635 -6.209 1.00 0.00 H new ATOM 0 HA GLN A 66 15.195 6.250 -7.437 1.00 0.00 H new ATOM 0 HB2 GLN A 66 15.762 3.832 -8.313 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.074 3.762 -8.780 1.00 0.00 H new ATOM 0 HG2 GLN A 66 16.013 5.974 -9.635 1.00 0.00 H new ATOM 0 HG3 GLN A 66 15.576 4.601 -10.633 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.643 7.798 -9.697 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.045 7.793 -10.450 1.00 0.00 H new ATOM 1134 N LYS A 67 12.145 5.015 -7.192 1.00 0.00 N ATOM 1135 CA LYS A 67 10.712 5.422 -7.294 1.00 0.00 C ATOM 1136 C LYS A 67 10.376 6.370 -6.140 1.00 0.00 C ATOM 1137 O LYS A 67 9.894 7.466 -6.340 1.00 0.00 O ATOM 1138 CB LYS A 67 9.818 4.176 -7.216 1.00 0.00 C ATOM 1139 CG LYS A 67 10.385 3.065 -8.109 1.00 0.00 C ATOM 1140 CD LYS A 67 10.505 3.561 -9.557 1.00 0.00 C ATOM 1141 CE LYS A 67 10.706 2.370 -10.497 1.00 0.00 C ATOM 1142 NZ LYS A 67 11.042 2.864 -11.862 1.00 0.00 N ATOM 0 H LYS A 67 12.305 4.071 -6.840 1.00 0.00 H new ATOM 0 HA LYS A 67 10.540 5.928 -8.244 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.755 3.828 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.805 4.425 -7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.363 2.755 -7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.737 2.189 -8.069 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.607 4.111 -9.839 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.343 4.252 -9.646 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.505 1.730 -10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.801 1.763 -10.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.178 2.054 -12.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.266 3.458 -12.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.917 3.425 -11.823 1.00 0.00 H new ATOM 1156 N TYR A 68 10.639 5.954 -4.935 1.00 0.00 N ATOM 1157 CA TYR A 68 10.353 6.815 -3.751 1.00 0.00 C ATOM 1158 C TYR A 68 10.991 8.196 -3.975 1.00 0.00 C ATOM 1159 O TYR A 68 10.444 9.213 -3.604 1.00 0.00 O ATOM 1160 CB TYR A 68 10.944 6.129 -2.498 1.00 0.00 C ATOM 1161 CG TYR A 68 11.276 7.142 -1.419 1.00 0.00 C ATOM 1162 CD1 TYR A 68 12.476 7.859 -1.491 1.00 0.00 C ATOM 1163 CD2 TYR A 68 10.390 7.366 -0.359 1.00 0.00 C ATOM 1164 CE1 TYR A 68 12.793 8.799 -0.506 1.00 0.00 C ATOM 1165 CE2 TYR A 68 10.707 8.306 0.628 1.00 0.00 C ATOM 1166 CZ TYR A 68 11.908 9.023 0.555 1.00 0.00 C ATOM 1167 OH TYR A 68 12.220 9.951 1.528 1.00 0.00 O ATOM 0 H TYR A 68 11.045 5.044 -4.715 1.00 0.00 H new ATOM 0 HA TYR A 68 9.280 6.948 -3.611 1.00 0.00 H new ATOM 0 HB2 TYR A 68 10.232 5.401 -2.109 1.00 0.00 H new ATOM 0 HB3 TYR A 68 11.844 5.579 -2.773 1.00 0.00 H new ATOM 0 HD1 TYR A 68 13.159 7.686 -2.310 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.463 6.814 -0.303 1.00 0.00 H new ATOM 0 HE1 TYR A 68 13.719 9.351 -0.564 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.025 8.479 1.447 1.00 0.00 H new ATOM 0 HH TYR A 68 11.499 9.985 2.191 1.00 0.00 H new ATOM 1177 N ALA A 69 12.141 8.233 -4.577 1.00 0.00 N ATOM 1178 CA ALA A 69 12.814 9.535 -4.824 1.00 0.00 C ATOM 1179 C ALA A 69 11.849 10.467 -5.562 1.00 0.00 C ATOM 1180 O ALA A 69 11.769 11.648 -5.284 1.00 0.00 O ATOM 1181 CB ALA A 69 14.066 9.295 -5.674 1.00 0.00 C ATOM 0 H ALA A 69 12.648 7.413 -4.911 1.00 0.00 H new ATOM 0 HA ALA A 69 13.103 9.995 -3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.567 10.245 -5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.743 8.626 -5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.780 8.843 -6.624 1.00 0.00 H new ATOM 1187 N GLU A 70 11.115 9.937 -6.502 1.00 0.00 N ATOM 1188 CA GLU A 70 10.146 10.764 -7.278 1.00 0.00 C ATOM 1189 C GLU A 70 8.762 10.698 -6.621 1.00 0.00 C ATOM 1190 O GLU A 70 8.127 11.705 -6.378 1.00 0.00 O ATOM 1191 CB GLU A 70 10.063 10.201 -8.701 1.00 0.00 C ATOM 1192 CG GLU A 70 11.329 10.573 -9.479 1.00 0.00 C ATOM 1193 CD GLU A 70 11.337 9.842 -10.823 1.00 0.00 C ATOM 1194 OE1 GLU A 70 11.457 8.628 -10.813 1.00 0.00 O ATOM 1195 OE2 GLU A 70 11.223 10.510 -11.838 1.00 0.00 O ATOM 0 H GLU A 70 11.146 8.953 -6.769 1.00 0.00 H new ATOM 0 HA GLU A 70 10.477 11.802 -7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.951 9.117 -8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.183 10.597 -9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.366 11.651 -9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.214 10.305 -8.902 1.00 0.00 H new ATOM 1202 N TYR A 71 8.283 9.512 -6.363 1.00 0.00 N ATOM 1203 CA TYR A 71 6.930 9.354 -5.755 1.00 0.00 C ATOM 1204 C TYR A 71 6.951 9.705 -4.265 1.00 0.00 C ATOM 1205 O TYR A 71 6.054 10.353 -3.766 1.00 0.00 O ATOM 1206 CB TYR A 71 6.477 7.906 -5.937 1.00 0.00 C ATOM 1207 CG TYR A 71 6.221 7.634 -7.405 1.00 0.00 C ATOM 1208 CD1 TYR A 71 5.009 8.026 -7.984 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.194 6.995 -8.185 1.00 0.00 C ATOM 1210 CE1 TYR A 71 4.768 7.779 -9.341 1.00 0.00 C ATOM 1211 CE2 TYR A 71 6.954 6.749 -9.541 1.00 0.00 C ATOM 1212 CZ TYR A 71 5.740 7.141 -10.119 1.00 0.00 C ATOM 1213 OH TYR A 71 5.502 6.897 -11.457 1.00 0.00 O ATOM 0 H TYR A 71 8.775 8.638 -6.549 1.00 0.00 H new ATOM 0 HA TYR A 71 6.237 10.034 -6.251 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.240 7.226 -5.558 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.571 7.723 -5.359 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.259 8.519 -7.384 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.130 6.692 -7.739 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.832 8.081 -9.787 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.705 6.257 -10.142 1.00 0.00 H new ATOM 0 HH TYR A 71 6.279 6.448 -11.851 1.00 0.00 H new ATOM 1223 N GLY A 72 7.949 9.275 -3.544 1.00 0.00 N ATOM 1224 CA GLY A 72 8.003 9.578 -2.079 1.00 0.00 C ATOM 1225 C GLY A 72 7.322 8.440 -1.320 1.00 0.00 C ATOM 1226 O GLY A 72 7.139 7.363 -1.853 1.00 0.00 O ATOM 0 H GLY A 72 8.731 8.727 -3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.038 9.684 -1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.504 10.524 -1.870 1.00 0.00 H new ATOM 1230 N PRO A 73 6.948 8.661 -0.086 1.00 0.00 N ATOM 1231 CA PRO A 73 6.277 7.616 0.738 1.00 0.00 C ATOM 1232 C PRO A 73 4.920 7.189 0.157 1.00 0.00 C ATOM 1233 O PRO A 73 4.062 6.705 0.869 1.00 0.00 O ATOM 1234 CB PRO A 73 6.107 8.274 2.131 1.00 0.00 C ATOM 1235 CG PRO A 73 7.030 9.461 2.122 1.00 0.00 C ATOM 1236 CD PRO A 73 7.120 9.914 0.662 1.00 0.00 C ATOM 0 HA PRO A 73 6.864 6.698 0.773 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.074 8.580 2.299 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.367 7.579 2.929 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.645 10.260 2.755 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.013 9.194 2.509 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.345 10.640 0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.078 10.385 0.444 1.00 0.00 H new ATOM 1244 N LYS A 74 4.716 7.347 -1.127 1.00 0.00 N ATOM 1245 CA LYS A 74 3.416 6.930 -1.726 1.00 0.00 C ATOM 1246 C LYS A 74 3.496 5.440 -2.040 1.00 0.00 C ATOM 1247 O LYS A 74 3.474 5.033 -3.184 1.00 0.00 O ATOM 1248 CB LYS A 74 3.183 7.721 -3.013 1.00 0.00 C ATOM 1249 CG LYS A 74 2.745 9.149 -2.674 1.00 0.00 C ATOM 1250 CD LYS A 74 2.685 9.984 -3.956 1.00 0.00 C ATOM 1251 CE LYS A 74 2.432 11.450 -3.600 1.00 0.00 C ATOM 1252 NZ LYS A 74 2.420 12.268 -4.845 1.00 0.00 N ATOM 0 H LYS A 74 5.390 7.744 -1.781 1.00 0.00 H new ATOM 0 HA LYS A 74 2.593 7.122 -1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.096 7.743 -3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.420 7.231 -3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.768 9.136 -2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.444 9.597 -1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.620 9.889 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.892 9.615 -4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.481 11.550 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.207 11.810 -2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.248 13.265 -4.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.338 12.182 -5.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.666 11.929 -5.476 1.00 0.00 H new ATOM 1266 N TRP A 75 3.598 4.623 -1.029 1.00 0.00 N ATOM 1267 CA TRP A 75 3.694 3.159 -1.255 1.00 0.00 C ATOM 1268 C TRP A 75 2.516 2.706 -2.113 1.00 0.00 C ATOM 1269 O TRP A 75 2.480 1.604 -2.621 1.00 0.00 O ATOM 1270 CB TRP A 75 3.675 2.429 0.095 1.00 0.00 C ATOM 1271 CG TRP A 75 4.435 3.220 1.118 1.00 0.00 C ATOM 1272 CD1 TRP A 75 3.911 3.683 2.274 1.00 0.00 C ATOM 1273 CD2 TRP A 75 5.833 3.648 1.105 1.00 0.00 C ATOM 1274 NE1 TRP A 75 4.897 4.346 2.981 1.00 0.00 N ATOM 1275 CE2 TRP A 75 6.095 4.356 2.303 1.00 0.00 C ATOM 1276 CE3 TRP A 75 6.889 3.492 0.188 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 7.355 4.886 2.582 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 8.158 4.028 0.466 1.00 0.00 C ATOM 1279 CH2 TRP A 75 8.390 4.722 1.661 1.00 0.00 C ATOM 0 H TRP A 75 3.619 4.911 -0.051 1.00 0.00 H new ATOM 0 HA TRP A 75 4.625 2.924 -1.770 1.00 0.00 H new ATOM 0 HB2 TRP A 75 2.646 2.285 0.425 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.117 1.438 -0.012 1.00 0.00 H new ATOM 0 HD1 TRP A 75 2.887 3.556 2.594 1.00 0.00 H new ATOM 0 HE1 TRP A 75 4.754 4.776 3.895 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.723 2.957 -0.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 7.528 5.420 3.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 8.960 3.904 -0.246 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.368 5.129 1.869 1.00 0.00 H new ATOM 1290 N ASN A 76 1.561 3.565 -2.279 1.00 0.00 N ATOM 1291 CA ASN A 76 0.378 3.223 -3.102 1.00 0.00 C ATOM 1292 C ASN A 76 0.806 3.168 -4.566 1.00 0.00 C ATOM 1293 O ASN A 76 0.309 2.377 -5.344 1.00 0.00 O ATOM 1294 CB ASN A 76 -0.693 4.295 -2.904 1.00 0.00 C ATOM 1295 CG ASN A 76 -0.073 5.680 -3.090 1.00 0.00 C ATOM 1296 OD1 ASN A 76 0.777 6.084 -2.322 1.00 0.00 O ATOM 1297 ND2 ASN A 76 -0.467 6.430 -4.082 1.00 0.00 N ATOM 0 H ASN A 76 1.548 4.501 -1.875 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.030 2.256 -2.807 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -1.504 4.150 -3.618 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.127 4.210 -1.908 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.061 7.357 -4.213 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.181 6.090 -4.726 1.00 0.00 H new ATOM 1304 N LYS A 77 1.746 3.995 -4.938 1.00 0.00 N ATOM 1305 CA LYS A 77 2.244 3.996 -6.342 1.00 0.00 C ATOM 1306 C LYS A 77 3.329 2.930 -6.467 1.00 0.00 C ATOM 1307 O LYS A 77 3.513 2.333 -7.502 1.00 0.00 O ATOM 1308 CB LYS A 77 2.846 5.368 -6.665 1.00 0.00 C ATOM 1309 CG LYS A 77 1.737 6.437 -6.777 1.00 0.00 C ATOM 1310 CD LYS A 77 1.113 6.432 -8.182 1.00 0.00 C ATOM 1311 CE LYS A 77 0.137 7.603 -8.308 1.00 0.00 C ATOM 1312 NZ LYS A 77 -1.023 7.382 -7.397 1.00 0.00 N ATOM 0 H LYS A 77 2.193 4.675 -4.323 1.00 0.00 H new ATOM 0 HA LYS A 77 1.427 3.788 -7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.555 5.652 -5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.403 5.315 -7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.965 6.246 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.152 7.422 -6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.893 6.511 -8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.593 5.490 -8.358 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.639 8.537 -8.056 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.208 7.694 -9.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.784 8.050 -7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.370 6.408 -7.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.725 7.534 -6.412 1.00 0.00 H new ATOM 1326 N ILE A 78 4.055 2.698 -5.410 1.00 0.00 N ATOM 1327 CA ILE A 78 5.139 1.677 -5.446 1.00 0.00 C ATOM 1328 C ILE A 78 4.527 0.276 -5.367 1.00 0.00 C ATOM 1329 O ILE A 78 4.817 -0.588 -6.165 1.00 0.00 O ATOM 1330 CB ILE A 78 6.067 1.899 -4.246 1.00 0.00 C ATOM 1331 CG1 ILE A 78 6.355 3.398 -4.080 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.384 1.145 -4.449 1.00 0.00 C ATOM 1333 CD1 ILE A 78 6.828 4.015 -5.401 1.00 0.00 C ATOM 0 H ILE A 78 3.943 3.175 -4.516 1.00 0.00 H new ATOM 0 HA ILE A 78 5.703 1.769 -6.374 1.00 0.00 H new ATOM 0 HB ILE A 78 5.575 1.522 -3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.455 3.909 -3.737 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.116 3.543 -3.313 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.034 1.311 -3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.181 0.079 -4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.876 1.508 -5.352 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.025 5.077 -5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.741 3.518 -5.729 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.055 3.889 -6.159 1.00 0.00 H new ATOM 1345 N SER A 79 3.694 0.050 -4.390 1.00 0.00 N ATOM 1346 CA SER A 79 3.066 -1.292 -4.224 1.00 0.00 C ATOM 1347 C SER A 79 2.509 -1.807 -5.551 1.00 0.00 C ATOM 1348 O SER A 79 2.338 -2.995 -5.734 1.00 0.00 O ATOM 1349 CB SER A 79 1.934 -1.205 -3.202 1.00 0.00 C ATOM 1350 OG SER A 79 1.476 -2.517 -2.901 1.00 0.00 O ATOM 0 H SER A 79 3.419 0.743 -3.694 1.00 0.00 H new ATOM 0 HA SER A 79 3.832 -1.986 -3.877 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.284 -0.712 -2.295 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.116 -0.603 -3.597 1.00 0.00 H new ATOM 0 HG SER A 79 1.535 -3.076 -3.704 1.00 0.00 H new ATOM 1356 N LYS A 80 2.211 -0.939 -6.476 1.00 0.00 N ATOM 1357 CA LYS A 80 1.652 -1.418 -7.776 1.00 0.00 C ATOM 1358 C LYS A 80 2.785 -1.985 -8.625 1.00 0.00 C ATOM 1359 O LYS A 80 2.578 -2.804 -9.498 1.00 0.00 O ATOM 1360 CB LYS A 80 0.939 -0.250 -8.497 1.00 0.00 C ATOM 1361 CG LYS A 80 1.929 0.636 -9.315 1.00 0.00 C ATOM 1362 CD LYS A 80 1.986 0.176 -10.793 1.00 0.00 C ATOM 1363 CE LYS A 80 0.841 0.812 -11.595 1.00 0.00 C ATOM 1364 NZ LYS A 80 1.161 2.242 -11.868 1.00 0.00 N ATOM 0 H LYS A 80 2.327 0.071 -6.393 1.00 0.00 H new ATOM 0 HA LYS A 80 0.918 -2.206 -7.605 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.177 -0.650 -9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.425 0.368 -7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.616 1.679 -9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.924 0.580 -8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.944 0.455 -11.231 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.916 -0.910 -10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.697 0.275 -12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.093 0.737 -11.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.552 2.594 -12.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.996 2.805 -11.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.158 2.327 -12.151 1.00 0.00 H new ATOM 1378 N PHE A 81 3.986 -1.555 -8.361 1.00 0.00 N ATOM 1379 CA PHE A 81 5.149 -2.063 -9.130 1.00 0.00 C ATOM 1380 C PHE A 81 5.584 -3.370 -8.479 1.00 0.00 C ATOM 1381 O PHE A 81 6.420 -4.092 -8.985 1.00 0.00 O ATOM 1382 CB PHE A 81 6.285 -1.027 -9.062 1.00 0.00 C ATOM 1383 CG PHE A 81 6.069 0.047 -10.114 1.00 0.00 C ATOM 1384 CD1 PHE A 81 6.330 -0.236 -11.460 1.00 0.00 C ATOM 1385 CD2 PHE A 81 5.611 1.320 -9.744 1.00 0.00 C ATOM 1386 CE1 PHE A 81 6.134 0.749 -12.435 1.00 0.00 C ATOM 1387 CE2 PHE A 81 5.415 2.304 -10.719 1.00 0.00 C ATOM 1388 CZ PHE A 81 5.676 2.019 -12.065 1.00 0.00 C ATOM 0 H PHE A 81 4.211 -0.869 -7.640 1.00 0.00 H new ATOM 0 HA PHE A 81 4.895 -2.230 -10.177 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.318 -0.576 -8.070 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.246 -1.517 -9.222 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.683 -1.216 -11.746 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.410 1.541 -8.706 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.336 0.529 -13.473 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.062 3.284 -10.433 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.524 2.779 -12.817 1.00 0.00 H new ATOM 1398 N LEU A 82 5.009 -3.664 -7.343 1.00 0.00 N ATOM 1399 CA LEU A 82 5.355 -4.919 -6.599 1.00 0.00 C ATOM 1400 C LEU A 82 4.216 -5.929 -6.785 1.00 0.00 C ATOM 1401 O LEU A 82 4.373 -6.938 -7.444 1.00 0.00 O ATOM 1402 CB LEU A 82 5.508 -4.578 -5.108 1.00 0.00 C ATOM 1403 CG LEU A 82 6.892 -3.944 -4.804 1.00 0.00 C ATOM 1404 CD1 LEU A 82 7.306 -2.931 -5.882 1.00 0.00 C ATOM 1405 CD2 LEU A 82 6.823 -3.214 -3.461 1.00 0.00 C ATOM 0 H LEU A 82 4.304 -3.082 -6.890 1.00 0.00 H new ATOM 0 HA LEU A 82 6.285 -5.345 -6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.718 -3.889 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.383 -5.483 -4.513 1.00 0.00 H new ATOM 0 HG LEU A 82 7.628 -4.748 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.280 -2.511 -5.631 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.365 -3.432 -6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.568 -2.131 -5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.792 -2.766 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.064 -2.433 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.564 -3.923 -2.675 1.00 0.00 H new ATOM 1417 N LYS A 83 3.072 -5.659 -6.207 1.00 0.00 N ATOM 1418 CA LYS A 83 1.911 -6.585 -6.337 1.00 0.00 C ATOM 1419 C LYS A 83 2.157 -7.804 -5.452 1.00 0.00 C ATOM 1420 O LYS A 83 1.410 -8.762 -5.476 1.00 0.00 O ATOM 1421 CB LYS A 83 1.747 -6.999 -7.816 1.00 0.00 C ATOM 1422 CG LYS A 83 0.263 -7.214 -8.170 1.00 0.00 C ATOM 1423 CD LYS A 83 0.112 -7.409 -9.688 1.00 0.00 C ATOM 1424 CE LYS A 83 0.483 -6.117 -10.448 1.00 0.00 C ATOM 1425 NZ LYS A 83 -0.294 -6.057 -11.719 1.00 0.00 N ATOM 0 H LYS A 83 2.894 -4.827 -5.645 1.00 0.00 H new ATOM 0 HA LYS A 83 0.992 -6.094 -6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.170 -6.229 -8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.306 -7.916 -8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.124 -8.086 -7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.326 -6.357 -7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.752 -8.227 -10.019 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.914 -7.692 -9.922 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.266 -5.244 -9.833 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.552 -6.099 -10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.048 -5.188 -12.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.065 -6.885 -12.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.312 -6.056 -11.504 1.00 0.00 H new ATOM 1439 N ASN A 84 3.205 -7.758 -4.667 1.00 0.00 N ATOM 1440 CA ASN A 84 3.539 -8.891 -3.752 1.00 0.00 C ATOM 1441 C ASN A 84 3.594 -8.368 -2.318 1.00 0.00 C ATOM 1442 O ASN A 84 3.390 -9.101 -1.372 1.00 0.00 O ATOM 1443 CB ASN A 84 4.903 -9.468 -4.137 1.00 0.00 C ATOM 1444 CG ASN A 84 4.787 -10.209 -5.470 1.00 0.00 C ATOM 1445 OD1 ASN A 84 5.243 -11.328 -5.598 1.00 0.00 O ATOM 1446 ND2 ASN A 84 4.189 -9.630 -6.475 1.00 0.00 N ATOM 0 H ASN A 84 3.852 -6.971 -4.622 1.00 0.00 H new ATOM 0 HA ASN A 84 2.781 -9.670 -3.833 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.639 -8.668 -4.217 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.254 -10.148 -3.361 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.105 -10.117 -7.367 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.806 -8.691 -6.368 1.00 0.00 H new ATOM 1453 N ARG A 85 3.865 -7.095 -2.158 1.00 0.00 N ATOM 1454 CA ARG A 85 3.939 -6.483 -0.791 1.00 0.00 C ATOM 1455 C ARG A 85 2.715 -5.589 -0.594 1.00 0.00 C ATOM 1456 O ARG A 85 1.857 -5.500 -1.450 1.00 0.00 O ATOM 1457 CB ARG A 85 5.222 -5.635 -0.661 1.00 0.00 C ATOM 1458 CG ARG A 85 6.380 -6.292 -1.427 1.00 0.00 C ATOM 1459 CD ARG A 85 6.698 -7.662 -0.821 1.00 0.00 C ATOM 1460 NE ARG A 85 8.011 -8.139 -1.349 1.00 0.00 N ATOM 1461 CZ ARG A 85 8.315 -9.410 -1.315 1.00 0.00 C ATOM 1462 NH1 ARG A 85 7.466 -10.271 -0.824 1.00 0.00 N ATOM 1463 NH2 ARG A 85 9.467 -9.817 -1.772 1.00 0.00 N ATOM 0 H ARG A 85 4.040 -6.445 -2.925 1.00 0.00 H new ATOM 0 HA ARG A 85 3.959 -7.268 -0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.043 -4.632 -1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.489 -5.527 0.390 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.115 -6.403 -2.478 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.262 -5.653 -1.386 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.733 -7.593 0.266 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.912 -8.375 -1.070 1.00 0.00 H new ATOM 0 HE ARG A 85 8.674 -7.469 -1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.565 -9.952 -0.467 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.703 -11.263 -0.797 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.130 -9.144 -2.156 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.705 -10.809 -1.746 1.00 0.00 H new ATOM 1477 N SER A 86 2.639 -4.926 0.529 1.00 0.00 N ATOM 1478 CA SER A 86 1.489 -4.021 0.816 1.00 0.00 C ATOM 1479 C SER A 86 2.035 -2.681 1.281 1.00 0.00 C ATOM 1480 O SER A 86 3.133 -2.580 1.790 1.00 0.00 O ATOM 1481 CB SER A 86 0.619 -4.630 1.918 1.00 0.00 C ATOM 1482 OG SER A 86 1.456 -5.195 2.916 1.00 0.00 O ATOM 0 H SER A 86 3.337 -4.975 1.271 1.00 0.00 H new ATOM 0 HA SER A 86 0.884 -3.888 -0.081 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.023 -3.865 2.355 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.036 -5.395 1.500 1.00 0.00 H new ATOM 0 HG SER A 86 0.950 -5.293 3.750 1.00 0.00 H new ATOM 1488 N ASP A 87 1.266 -1.657 1.120 1.00 0.00 N ATOM 1489 CA ASP A 87 1.719 -0.312 1.555 1.00 0.00 C ATOM 1490 C ASP A 87 2.031 -0.371 3.046 1.00 0.00 C ATOM 1491 O ASP A 87 2.828 0.386 3.562 1.00 0.00 O ATOM 1492 CB ASP A 87 0.616 0.714 1.290 1.00 0.00 C ATOM 1493 CG ASP A 87 -0.721 0.171 1.794 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.747 -0.355 2.895 1.00 0.00 O ATOM 1495 OD2 ASP A 87 -1.697 0.289 1.072 1.00 0.00 O ATOM 0 H ASP A 87 0.335 -1.688 0.703 1.00 0.00 H new ATOM 0 HA ASP A 87 2.609 -0.015 1.001 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.851 1.653 1.791 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.554 0.929 0.223 1.00 0.00 H new ATOM 1500 N ASN A 88 1.413 -1.289 3.734 1.00 0.00 N ATOM 1501 CA ASN A 88 1.667 -1.439 5.190 1.00 0.00 C ATOM 1502 C ASN A 88 2.993 -2.171 5.379 1.00 0.00 C ATOM 1503 O ASN A 88 3.697 -1.970 6.347 1.00 0.00 O ATOM 1504 CB ASN A 88 0.538 -2.257 5.817 1.00 0.00 C ATOM 1505 CG ASN A 88 0.647 -2.201 7.342 1.00 0.00 C ATOM 1506 OD1 ASN A 88 1.715 -1.979 7.878 1.00 0.00 O ATOM 1507 ND2 ASN A 88 -0.421 -2.393 8.067 1.00 0.00 N ATOM 0 H ASN A 88 0.737 -1.947 3.345 1.00 0.00 H new ATOM 0 HA ASN A 88 1.711 -0.460 5.668 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.428 -1.867 5.497 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.592 -3.291 5.476 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.360 -2.357 9.085 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.317 -2.579 7.616 1.00 0.00 H new ATOM 1514 N ASN A 89 3.344 -3.018 4.444 1.00 0.00 N ATOM 1515 CA ASN A 89 4.622 -3.760 4.548 1.00 0.00 C ATOM 1516 C ASN A 89 5.739 -2.860 4.033 1.00 0.00 C ATOM 1517 O ASN A 89 6.743 -2.654 4.676 1.00 0.00 O ATOM 1518 CB ASN A 89 4.532 -5.017 3.678 1.00 0.00 C ATOM 1519 CG ASN A 89 5.736 -5.920 3.952 1.00 0.00 C ATOM 1520 OD1 ASN A 89 6.204 -6.004 5.070 1.00 0.00 O ATOM 1521 ND2 ASN A 89 6.257 -6.606 2.972 1.00 0.00 N ATOM 0 H ASN A 89 2.792 -3.223 3.611 1.00 0.00 H new ATOM 0 HA ASN A 89 4.821 -4.046 5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.607 -5.553 3.891 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.505 -4.740 2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.058 -7.214 3.144 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.863 -6.535 2.034 1.00 0.00 H new ATOM 1528 N ILE A 90 5.556 -2.314 2.870 1.00 0.00 N ATOM 1529 CA ILE A 90 6.593 -1.419 2.291 1.00 0.00 C ATOM 1530 C ILE A 90 6.962 -0.337 3.306 1.00 0.00 C ATOM 1531 O ILE A 90 8.115 -0.155 3.642 1.00 0.00 O ATOM 1532 CB ILE A 90 6.035 -0.794 1.014 1.00 0.00 C ATOM 1533 CG1 ILE A 90 5.729 -1.922 0.026 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.064 0.162 0.404 1.00 0.00 C ATOM 1535 CD1 ILE A 90 4.978 -1.382 -1.185 1.00 0.00 C ATOM 0 H ILE A 90 4.728 -2.448 2.290 1.00 0.00 H new ATOM 0 HA ILE A 90 7.494 -1.984 2.053 1.00 0.00 H new ATOM 0 HB ILE A 90 5.130 -0.230 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.658 -2.394 -0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.134 -2.692 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.657 0.602 -0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.294 0.953 1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.974 -0.388 0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.769 -2.198 -1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.040 -0.932 -0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.587 -0.629 -1.685 1.00 0.00 H new ATOM 1547 N ARG A 91 5.991 0.363 3.815 1.00 0.00 N ATOM 1548 CA ARG A 91 6.280 1.413 4.830 1.00 0.00 C ATOM 1549 C ARG A 91 7.022 0.764 5.997 1.00 0.00 C ATOM 1550 O ARG A 91 7.837 1.377 6.656 1.00 0.00 O ATOM 1551 CB ARG A 91 4.953 2.003 5.329 1.00 0.00 C ATOM 1552 CG ARG A 91 5.185 2.964 6.509 1.00 0.00 C ATOM 1553 CD ARG A 91 6.220 4.035 6.139 1.00 0.00 C ATOM 1554 NE ARG A 91 6.077 5.198 7.059 1.00 0.00 N ATOM 1555 CZ ARG A 91 6.447 5.093 8.307 1.00 0.00 C ATOM 1556 NH1 ARG A 91 6.944 3.969 8.749 1.00 0.00 N ATOM 1557 NH2 ARG A 91 6.321 6.112 9.113 1.00 0.00 N ATOM 0 H ARG A 91 5.006 0.254 3.572 1.00 0.00 H new ATOM 0 HA ARG A 91 6.889 2.206 4.397 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.458 2.533 4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.286 1.198 5.637 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.245 3.440 6.787 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.528 2.404 7.379 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.227 3.623 6.209 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.077 4.354 5.107 1.00 0.00 H new ATOM 0 HE ARG A 91 5.690 6.076 6.714 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.043 3.173 8.119 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.233 3.887 9.724 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.934 6.990 8.768 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.610 6.030 10.088 1.00 0.00 H new ATOM 1571 N ASN A 92 6.725 -0.477 6.260 1.00 0.00 N ATOM 1572 CA ASN A 92 7.386 -1.186 7.397 1.00 0.00 C ATOM 1573 C ASN A 92 8.808 -1.596 7.013 1.00 0.00 C ATOM 1574 O ASN A 92 9.717 -1.524 7.817 1.00 0.00 O ATOM 1575 CB ASN A 92 6.576 -2.435 7.761 1.00 0.00 C ATOM 1576 CG ASN A 92 7.083 -3.004 9.089 1.00 0.00 C ATOM 1577 OD1 ASN A 92 7.738 -2.318 9.847 1.00 0.00 O ATOM 1578 ND2 ASN A 92 6.805 -4.240 9.402 1.00 0.00 N ATOM 0 H ASN A 92 6.051 -1.035 5.736 1.00 0.00 H new ATOM 0 HA ASN A 92 7.431 -0.513 8.253 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.518 -2.185 7.841 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.668 -3.183 6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.138 -4.630 10.284 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.255 -4.816 8.765 1.00 0.00 H new ATOM 1585 N ARG A 93 9.020 -2.033 5.799 1.00 0.00 N ATOM 1586 CA ARG A 93 10.400 -2.446 5.397 1.00 0.00 C ATOM 1587 C ARG A 93 11.249 -1.187 5.173 1.00 0.00 C ATOM 1588 O ARG A 93 12.376 -1.103 5.614 1.00 0.00 O ATOM 1589 CB ARG A 93 10.336 -3.291 4.106 1.00 0.00 C ATOM 1590 CG ARG A 93 10.187 -4.791 4.439 1.00 0.00 C ATOM 1591 CD ARG A 93 9.029 -5.026 5.431 1.00 0.00 C ATOM 1592 NE ARG A 93 9.549 -4.968 6.826 1.00 0.00 N ATOM 1593 CZ ARG A 93 8.797 -5.356 7.821 1.00 0.00 C ATOM 1594 NH1 ARG A 93 7.589 -5.796 7.594 1.00 0.00 N ATOM 1595 NH2 ARG A 93 9.254 -5.305 9.042 1.00 0.00 N ATOM 0 H ARG A 93 8.307 -2.122 5.075 1.00 0.00 H new ATOM 0 HA ARG A 93 10.853 -3.051 6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.495 -2.965 3.494 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.240 -3.133 3.517 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.006 -5.354 3.523 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.117 -5.166 4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.255 -4.271 5.288 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.567 -5.995 5.244 1.00 0.00 H new ATOM 0 HE ARG A 93 10.493 -4.625 7.004 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.232 -5.837 6.639 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.002 -6.099 8.371 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.198 -4.962 9.219 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.667 -5.608 9.819 1.00 0.00 H new ATOM 1609 N TRP A 94 10.716 -0.207 4.496 1.00 0.00 N ATOM 1610 CA TRP A 94 11.497 1.038 4.256 1.00 0.00 C ATOM 1611 C TRP A 94 11.869 1.663 5.603 1.00 0.00 C ATOM 1612 O TRP A 94 12.955 2.178 5.779 1.00 0.00 O ATOM 1613 CB TRP A 94 10.648 2.024 3.445 1.00 0.00 C ATOM 1614 CG TRP A 94 11.392 3.313 3.274 1.00 0.00 C ATOM 1615 CD1 TRP A 94 11.030 4.497 3.822 1.00 0.00 C ATOM 1616 CD2 TRP A 94 12.613 3.569 2.520 1.00 0.00 C ATOM 1617 NE1 TRP A 94 11.949 5.461 3.450 1.00 0.00 N ATOM 1618 CE2 TRP A 94 12.944 4.938 2.649 1.00 0.00 C ATOM 1619 CE3 TRP A 94 13.456 2.753 1.743 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 14.071 5.480 2.029 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 14.591 3.295 1.119 1.00 0.00 C ATOM 1622 CH2 TRP A 94 14.898 4.655 1.262 1.00 0.00 C ATOM 0 H TRP A 94 9.776 -0.215 4.100 1.00 0.00 H new ATOM 0 HA TRP A 94 12.405 0.804 3.700 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.411 1.598 2.470 1.00 0.00 H new ATOM 0 HB3 TRP A 94 9.700 2.205 3.952 1.00 0.00 H new ATOM 0 HD1 TRP A 94 10.165 4.662 4.447 1.00 0.00 H new ATOM 0 HE1 TRP A 94 11.898 6.440 3.733 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.229 1.704 1.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 14.302 6.529 2.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 15.232 2.660 0.525 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.773 5.065 0.780 1.00 0.00 H new ATOM 1633 N MET A 95 10.976 1.623 6.554 1.00 0.00 N ATOM 1634 CA MET A 95 11.280 2.216 7.886 1.00 0.00 C ATOM 1635 C MET A 95 12.314 1.349 8.609 1.00 0.00 C ATOM 1636 O MET A 95 13.140 1.841 9.352 1.00 0.00 O ATOM 1637 CB MET A 95 9.994 2.283 8.718 1.00 0.00 C ATOM 1638 CG MET A 95 10.229 3.141 9.963 1.00 0.00 C ATOM 1639 SD MET A 95 10.383 4.879 9.480 1.00 0.00 S ATOM 1640 CE MET A 95 10.712 5.545 11.130 1.00 0.00 C ATOM 0 H MET A 95 10.050 1.205 6.466 1.00 0.00 H new ATOM 0 HA MET A 95 11.681 3.221 7.754 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.185 2.705 8.121 1.00 0.00 H new ATOM 0 HB3 MET A 95 9.685 1.279 9.009 1.00 0.00 H new ATOM 0 HG2 MET A 95 9.402 3.019 10.663 1.00 0.00 H new ATOM 0 HG3 MET A 95 11.133 2.814 10.477 1.00 0.00 H new ATOM 0 HE1 MET A 95 10.843 6.625 11.067 1.00 0.00 H new ATOM 0 HE2 MET A 95 9.873 5.319 11.788 1.00 0.00 H new ATOM 0 HE3 MET A 95 11.619 5.093 11.531 1.00 0.00 H new ATOM 1650 N MET A 96 12.281 0.060 8.394 1.00 0.00 N ATOM 1651 CA MET A 96 13.264 -0.838 9.063 1.00 0.00 C ATOM 1652 C MET A 96 14.582 -0.781 8.299 1.00 0.00 C ATOM 1653 O MET A 96 15.650 -0.895 8.868 1.00 0.00 O ATOM 1654 CB MET A 96 12.731 -2.272 9.056 1.00 0.00 C ATOM 1655 CG MET A 96 13.682 -3.174 9.846 1.00 0.00 C ATOM 1656 SD MET A 96 12.980 -4.838 9.962 1.00 0.00 S ATOM 1657 CE MET A 96 14.538 -5.727 10.192 1.00 0.00 C ATOM 0 H MET A 96 11.613 -0.409 7.782 1.00 0.00 H new ATOM 0 HA MET A 96 13.419 -0.517 10.093 1.00 0.00 H new ATOM 0 HB2 MET A 96 11.734 -2.303 9.496 1.00 0.00 H new ATOM 0 HB3 MET A 96 12.639 -2.632 8.031 1.00 0.00 H new ATOM 0 HG2 MET A 96 14.655 -3.212 9.356 1.00 0.00 H new ATOM 0 HG3 MET A 96 13.843 -2.765 10.844 1.00 0.00 H new ATOM 0 HE1 MET A 96 14.337 -6.794 10.288 1.00 0.00 H new ATOM 0 HE2 MET A 96 15.185 -5.555 9.332 1.00 0.00 H new ATOM 0 HE3 MET A 96 15.032 -5.368 11.095 1.00 0.00 H new ATOM 1667 N ILE A 97 14.515 -0.600 7.006 1.00 0.00 N ATOM 1668 CA ILE A 97 15.757 -0.529 6.189 1.00 0.00 C ATOM 1669 C ILE A 97 16.299 0.899 6.229 1.00 0.00 C ATOM 1670 O ILE A 97 17.492 1.125 6.185 1.00 0.00 O ATOM 1671 CB ILE A 97 15.439 -0.925 4.743 1.00 0.00 C ATOM 1672 CG1 ILE A 97 14.993 -2.393 4.704 1.00 0.00 C ATOM 1673 CG2 ILE A 97 16.688 -0.747 3.869 1.00 0.00 C ATOM 1674 CD1 ILE A 97 14.390 -2.711 3.334 1.00 0.00 C ATOM 0 H ILE A 97 13.647 -0.498 6.480 1.00 0.00 H new ATOM 0 HA ILE A 97 16.505 -1.213 6.590 1.00 0.00 H new ATOM 0 HB ILE A 97 14.640 -0.289 4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 97 15.843 -3.047 4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.259 -2.582 5.488 1.00 0.00 H new ATOM 0 HG21 ILE A 97 16.457 -1.030 2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.005 0.295 3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 97 17.490 -1.380 4.248 1.00 0.00 H new ATOM 0 HD11 ILE A 97 14.074 -3.754 3.309 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.529 -2.067 3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 97 15.137 -2.539 2.559 1.00 0.00 H new ATOM 1686 N ALA A 98 15.428 1.869 6.319 1.00 0.00 N ATOM 1687 CA ALA A 98 15.891 3.281 6.370 1.00 0.00 C ATOM 1688 C ALA A 98 16.462 3.567 7.756 1.00 0.00 C ATOM 1689 O ALA A 98 17.182 4.523 7.960 1.00 0.00 O ATOM 1690 CB ALA A 98 14.714 4.222 6.099 1.00 0.00 C ATOM 0 H ALA A 98 14.417 1.742 6.359 1.00 0.00 H new ATOM 0 HA ALA A 98 16.658 3.441 5.613 1.00 0.00 H new ATOM 0 HB1 ALA A 98 15.058 5.256 6.137 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.301 4.013 5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.944 4.068 6.854 1.00 0.00 H new ATOM 1696 N ARG A 99 16.151 2.733 8.710 1.00 0.00 N ATOM 1697 CA ARG A 99 16.679 2.939 10.083 1.00 0.00 C ATOM 1698 C ARG A 99 18.151 2.555 10.083 1.00 0.00 C ATOM 1699 O ARG A 99 18.919 2.959 10.934 1.00 0.00 O ATOM 1700 CB ARG A 99 15.899 2.058 11.075 1.00 0.00 C ATOM 1701 CG ARG A 99 16.565 2.084 12.483 1.00 0.00 C ATOM 1702 CD ARG A 99 17.424 0.826 12.707 1.00 0.00 C ATOM 1703 NE ARG A 99 16.539 -0.318 13.064 1.00 0.00 N ATOM 1704 CZ ARG A 99 17.056 -1.489 13.322 1.00 0.00 C ATOM 1705 NH1 ARG A 99 18.349 -1.658 13.268 1.00 0.00 N ATOM 1706 NH2 ARG A 99 16.280 -2.491 13.633 1.00 0.00 N ATOM 0 H ARG A 99 15.552 1.916 8.595 1.00 0.00 H new ATOM 0 HA ARG A 99 16.565 3.980 10.385 1.00 0.00 H new ATOM 0 HB2 ARG A 99 14.870 2.409 11.148 1.00 0.00 H new ATOM 0 HB3 ARG A 99 15.860 1.033 10.705 1.00 0.00 H new ATOM 0 HG2 ARG A 99 17.185 2.975 12.580 1.00 0.00 H new ATOM 0 HG3 ARG A 99 15.796 2.146 13.253 1.00 0.00 H new ATOM 0 HD2 ARG A 99 17.991 0.594 11.806 1.00 0.00 H new ATOM 0 HD3 ARG A 99 18.148 1.003 13.503 1.00 0.00 H new ATOM 0 HE ARG A 99 15.528 -0.186 13.107 1.00 0.00 H new ATOM 0 HH11 ARG A 99 18.956 -0.875 13.024 1.00 0.00 H new ATOM 0 HH12 ARG A 99 18.753 -2.573 13.470 1.00 0.00 H new ATOM 0 HH21 ARG A 99 15.269 -2.360 13.675 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.684 -3.406 13.834 1.00 0.00 H new