USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 765 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 58 THR OG1 : rot 180:sc= -1.09 USER MOD Set 1.2: A 61 GLN : amide:sc= 1.06 K(o=-0.027,f=-6.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 129:sc= 0.0986 (180deg=-0.0157) USER MOD Single : A 3 HIS : no HD1:sc= -0.428 X(o=-0.43,f=-0.53) USER MOD Single : A 4 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.52) USER MOD Single : A 5 HIS : no HD1:sc= -0.833 K(o=-0.83,f=-1.5) USER MOD Single : A 6 HIS : no HD1:sc= -0.935 X(o=-0.94,f=-0.59) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0331 X(o=-0.033,f=-0.033) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -160:sc= -0.102 (180deg=-0.427) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 22 SER OG : rot 87:sc= 0.625 USER MOD Single : A 31 MET CE :methyl -163:sc= -0.0719 (180deg=-0.477) USER MOD Single : A 32 LYS NZ :NH3+ 168:sc= -0.0203 (180deg=-0.243) USER MOD Single : A 37 THR OG1 : rot 163:sc= 0.981 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0134 K(o=-0.013,f=-0.84) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 131:sc= 1.18 (180deg=-0.0641) USER MOD Single : A 74 ASN : amide:sc= 0.5 K(o=0.5,f=-9.2!) USER MOD Single : A 75 LYS NZ :NH3+ -111:sc= -1.16 (180deg=-3.42!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.961 F(o=-2!,f=-0.96) USER MOD Single : A 80 ASN : amide:sc= -0.131 K(o=-0.13,f=-1) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 164:sc= -0.0574 (180deg=-0.3) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 17:sc= 0.874 USER MOD Single : A 91 GLN : amide:sc=-0.00811 X(o=-0.0081,f=-0.0081) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.712 -43.670 14.417 1.00 4.30 N ATOM 2 CA MET A 1 10.120 -42.251 14.229 1.00 74.31 C ATOM 3 C MET A 1 11.522 -41.998 14.800 1.00 1.50 C ATOM 4 O MET A 1 12.083 -42.856 15.486 1.00 52.31 O ATOM 5 CB MET A 1 9.103 -41.308 14.892 1.00 72.31 C ATOM 6 CG MET A 1 8.988 -41.472 16.404 1.00 44.11 C ATOM 7 SD MET A 1 7.835 -40.294 17.139 1.00 10.31 S ATOM 8 CE MET A 1 7.935 -40.746 18.872 1.00 64.12 C ATOM 0 H1 MET A 1 8.771 -43.705 14.859 1.00 4.30 H new ATOM 0 H2 MET A 1 9.679 -44.147 13.493 1.00 4.30 H new ATOM 0 H3 MET A 1 10.401 -44.151 15.030 1.00 4.30 H new ATOM 0 HA MET A 1 10.146 -42.049 13.158 1.00 74.31 H new ATOM 0 HB2 MET A 1 9.382 -40.278 14.670 1.00 72.31 H new ATOM 0 HB3 MET A 1 8.123 -41.476 14.444 1.00 72.31 H new ATOM 0 HG2 MET A 1 8.662 -42.486 16.633 1.00 44.11 H new ATOM 0 HG3 MET A 1 9.971 -41.344 16.856 1.00 44.11 H new ATOM 0 HE1 MET A 1 7.275 -40.103 19.454 1.00 64.12 H new ATOM 0 HE2 MET A 1 7.631 -41.785 18.995 1.00 64.12 H new ATOM 0 HE3 MET A 1 8.960 -40.625 19.221 1.00 64.12 H new ATOM 20 N GLY A 2 12.075 -40.817 14.522 1.00 72.35 N ATOM 21 CA GLY A 2 13.407 -40.469 15.010 1.00 61.23 C ATOM 22 C GLY A 2 13.515 -40.452 16.536 1.00 54.43 C ATOM 23 O GLY A 2 12.618 -39.968 17.231 1.00 75.31 O ATOM 0 H GLY A 2 11.624 -40.091 13.965 1.00 72.35 H new ATOM 0 HA2 GLY A 2 14.129 -41.182 14.611 1.00 61.23 H new ATOM 0 HA3 GLY A 2 13.681 -39.487 14.624 1.00 61.23 H new ATOM 27 N HIS A 3 14.628 -40.963 17.051 1.00 43.50 N ATOM 28 CA HIS A 3 14.845 -41.078 18.496 1.00 50.25 C ATOM 29 C HIS A 3 14.950 -39.705 19.189 1.00 22.10 C ATOM 30 O HIS A 3 15.594 -38.786 18.684 1.00 52.40 O ATOM 31 CB HIS A 3 16.120 -41.891 18.752 1.00 14.44 C ATOM 32 CG HIS A 3 16.517 -41.988 20.193 1.00 2.15 C ATOM 33 ND1 HIS A 3 17.466 -41.172 20.760 1.00 63.53 N ATOM 34 CD2 HIS A 3 16.098 -42.813 21.181 1.00 41.11 C ATOM 35 CE1 HIS A 3 17.617 -41.489 22.029 1.00 63.01 C ATOM 36 NE2 HIS A 3 16.800 -42.481 22.313 1.00 65.03 N ATOM 0 H HIS A 3 15.404 -41.309 16.486 1.00 43.50 H new ATOM 0 HA HIS A 3 13.979 -41.584 18.922 1.00 50.25 H new ATOM 0 HB2 HIS A 3 15.979 -42.898 18.359 1.00 14.44 H new ATOM 0 HB3 HIS A 3 16.940 -41.442 18.192 1.00 14.44 H new ATOM 0 HD2 HIS A 3 15.351 -43.588 21.095 1.00 41.11 H new ATOM 0 HE1 HIS A 3 18.297 -41.015 22.721 1.00 63.01 H new ATOM 0 HE2 HIS A 3 16.704 -42.929 23.224 1.00 65.03 H new ATOM 45 N HIS A 4 14.299 -39.589 20.350 1.00 5.04 N ATOM 46 CA HIS A 4 14.411 -38.405 21.220 1.00 32.20 C ATOM 47 C HIS A 4 13.887 -37.110 20.553 1.00 21.53 C ATOM 48 O HIS A 4 14.181 -36.003 21.006 1.00 41.51 O ATOM 49 CB HIS A 4 15.872 -38.237 21.678 1.00 74.44 C ATOM 50 CG HIS A 4 16.063 -37.219 22.761 1.00 73.21 C ATOM 51 ND1 HIS A 4 16.742 -36.034 22.568 1.00 71.14 N ATOM 52 CD2 HIS A 4 15.663 -37.211 24.056 1.00 71.53 C ATOM 53 CE1 HIS A 4 16.755 -35.347 23.692 1.00 11.12 C ATOM 54 NE2 HIS A 4 16.109 -36.036 24.608 1.00 1.44 N ATOM 0 H HIS A 4 13.679 -40.311 20.717 1.00 5.04 H new ATOM 0 HA HIS A 4 13.772 -38.575 22.086 1.00 32.20 H new ATOM 0 HB2 HIS A 4 16.244 -39.199 22.030 1.00 74.44 H new ATOM 0 HB3 HIS A 4 16.480 -37.955 20.819 1.00 74.44 H new ATOM 0 HD2 HIS A 4 15.100 -37.983 24.559 1.00 71.53 H new ATOM 0 HE1 HIS A 4 17.218 -34.382 23.837 1.00 11.12 H new ATOM 0 HE2 HIS A 4 15.963 -35.744 25.574 1.00 1.44 H new ATOM 63 N HIS A 5 13.090 -37.246 19.493 1.00 20.45 N ATOM 64 CA HIS A 5 12.481 -36.081 18.838 1.00 55.22 C ATOM 65 C HIS A 5 11.197 -35.635 19.559 1.00 50.31 C ATOM 66 O HIS A 5 10.164 -36.299 19.484 1.00 23.52 O ATOM 67 CB HIS A 5 12.176 -36.382 17.364 1.00 61.53 C ATOM 68 CG HIS A 5 13.394 -36.450 16.495 1.00 61.23 C ATOM 69 ND1 HIS A 5 13.424 -37.119 15.292 1.00 30.35 N ATOM 70 CD2 HIS A 5 14.619 -35.893 16.641 1.00 13.41 C ATOM 71 CE1 HIS A 5 14.612 -36.972 14.737 1.00 4.14 C ATOM 72 NE2 HIS A 5 15.353 -36.232 15.534 1.00 43.45 N ATOM 0 H HIS A 5 12.850 -38.143 19.070 1.00 20.45 H new ATOM 0 HA HIS A 5 13.202 -35.265 18.891 1.00 55.22 H new ATOM 0 HB2 HIS A 5 11.642 -37.330 17.300 1.00 61.53 H new ATOM 0 HB3 HIS A 5 11.508 -35.613 16.977 1.00 61.53 H new ATOM 0 HD2 HIS A 5 14.955 -35.294 17.474 1.00 13.41 H new ATOM 0 HE1 HIS A 5 14.923 -37.388 13.790 1.00 4.14 H new ATOM 0 HE2 HIS A 5 16.319 -35.955 15.357 1.00 43.45 H new ATOM 81 N HIS A 6 11.271 -34.502 20.259 1.00 71.02 N ATOM 82 CA HIS A 6 10.118 -33.976 20.999 1.00 44.23 C ATOM 83 C HIS A 6 9.003 -33.472 20.057 1.00 14.21 C ATOM 84 O HIS A 6 8.933 -32.290 19.723 1.00 1.13 O ATOM 85 CB HIS A 6 10.560 -32.866 21.974 1.00 73.03 C ATOM 86 CG HIS A 6 11.383 -31.772 21.349 1.00 71.02 C ATOM 87 ND1 HIS A 6 12.761 -31.760 21.378 1.00 21.12 N ATOM 88 CD2 HIS A 6 11.019 -30.641 20.695 1.00 75.33 C ATOM 89 CE1 HIS A 6 13.206 -30.678 20.772 1.00 11.22 C ATOM 90 NE2 HIS A 6 12.171 -29.983 20.348 1.00 50.14 N ATOM 0 H HIS A 6 12.113 -33.931 20.330 1.00 71.02 H new ATOM 0 HA HIS A 6 9.698 -34.800 21.576 1.00 44.23 H new ATOM 0 HB2 HIS A 6 9.672 -32.422 22.425 1.00 73.03 H new ATOM 0 HB3 HIS A 6 11.135 -33.318 22.782 1.00 73.03 H new ATOM 0 HD2 HIS A 6 10.010 -30.319 20.486 1.00 75.33 H new ATOM 0 HE1 HIS A 6 14.244 -30.407 20.645 1.00 11.22 H new ATOM 0 HE2 HIS A 6 12.219 -29.098 19.843 1.00 50.14 H new ATOM 99 N HIS A 7 8.147 -34.388 19.613 1.00 52.21 N ATOM 100 CA HIS A 7 7.004 -34.041 18.757 1.00 21.44 C ATOM 101 C HIS A 7 5.774 -34.905 19.072 1.00 22.21 C ATOM 102 O HIS A 7 5.789 -36.124 18.893 1.00 52.12 O ATOM 103 CB HIS A 7 7.376 -34.171 17.270 1.00 32.10 C ATOM 104 CG HIS A 7 8.031 -32.946 16.703 1.00 62.45 C ATOM 105 ND1 HIS A 7 9.397 -32.781 16.620 1.00 54.13 N ATOM 106 CD2 HIS A 7 7.489 -31.817 16.185 1.00 11.23 C ATOM 107 CE1 HIS A 7 9.665 -31.607 16.084 1.00 24.34 C ATOM 108 NE2 HIS A 7 8.528 -31.005 15.811 1.00 54.03 N ATOM 0 H HIS A 7 8.219 -35.382 19.830 1.00 52.21 H new ATOM 0 HA HIS A 7 6.747 -33.003 18.967 1.00 21.44 H new ATOM 0 HB2 HIS A 7 8.046 -35.021 17.145 1.00 32.10 H new ATOM 0 HB3 HIS A 7 6.475 -34.389 16.697 1.00 32.10 H new ATOM 0 HD2 HIS A 7 6.436 -31.598 16.086 1.00 11.23 H new ATOM 0 HE1 HIS A 7 10.651 -31.207 15.900 1.00 24.34 H new ATOM 0 HE2 HIS A 7 8.434 -30.081 15.388 1.00 54.03 H new ATOM 117 N HIS A 8 4.712 -34.253 19.541 1.00 24.11 N ATOM 118 CA HIS A 8 3.439 -34.917 19.837 1.00 31.35 C ATOM 119 C HIS A 8 2.273 -33.932 19.656 1.00 2.43 C ATOM 120 O HIS A 8 2.315 -32.804 20.156 1.00 23.51 O ATOM 121 CB HIS A 8 3.444 -35.497 21.262 1.00 4.30 C ATOM 122 CG HIS A 8 3.538 -34.464 22.343 1.00 22.21 C ATOM 123 ND1 HIS A 8 2.473 -34.121 23.150 1.00 14.43 N ATOM 124 CD2 HIS A 8 4.578 -33.703 22.759 1.00 4.45 C ATOM 125 CE1 HIS A 8 2.851 -33.196 24.007 1.00 2.04 C ATOM 126 NE2 HIS A 8 4.121 -32.926 23.792 1.00 43.44 N ATOM 0 H HIS A 8 4.707 -33.250 19.727 1.00 24.11 H new ATOM 0 HA HIS A 8 3.309 -35.743 19.138 1.00 31.35 H new ATOM 0 HB2 HIS A 8 2.534 -36.079 21.409 1.00 4.30 H new ATOM 0 HB3 HIS A 8 4.283 -36.186 21.359 1.00 4.30 H new ATOM 0 HD2 HIS A 8 5.579 -33.707 22.353 1.00 4.45 H new ATOM 0 HE1 HIS A 8 2.226 -32.737 24.758 1.00 2.04 H new ATOM 0 HE2 HIS A 8 4.677 -32.247 24.311 1.00 43.44 H new ATOM 135 N SER A 9 1.241 -34.355 18.934 1.00 52.25 N ATOM 136 CA SER A 9 0.122 -33.467 18.578 1.00 21.43 C ATOM 137 C SER A 9 -0.886 -33.313 19.727 1.00 64.33 C ATOM 138 O SER A 9 -1.406 -34.300 20.252 1.00 25.55 O ATOM 139 CB SER A 9 -0.591 -34.003 17.332 1.00 34.31 C ATOM 140 OG SER A 9 0.300 -34.092 16.230 1.00 11.34 O ATOM 0 H SER A 9 1.149 -35.307 18.580 1.00 52.25 H new ATOM 0 HA SER A 9 0.540 -32.481 18.374 1.00 21.43 H new ATOM 0 HB2 SER A 9 -1.011 -34.986 17.544 1.00 34.31 H new ATOM 0 HB3 SER A 9 -1.425 -33.349 17.077 1.00 34.31 H new ATOM 0 HG SER A 9 -0.180 -34.438 15.449 1.00 11.34 H new ATOM 146 N HIS A 10 -1.159 -32.065 20.113 1.00 21.31 N ATOM 147 CA HIS A 10 -2.118 -31.764 21.187 1.00 14.35 C ATOM 148 C HIS A 10 -2.855 -30.434 20.932 1.00 42.10 C ATOM 149 O HIS A 10 -2.231 -29.379 20.827 1.00 54.34 O ATOM 150 CB HIS A 10 -1.385 -31.712 22.536 1.00 35.33 C ATOM 151 CG HIS A 10 -2.260 -31.320 23.690 1.00 71.12 C ATOM 152 ND1 HIS A 10 -3.220 -32.151 24.222 1.00 2.42 N ATOM 153 CD2 HIS A 10 -2.318 -30.177 24.417 1.00 71.33 C ATOM 154 CE1 HIS A 10 -3.831 -31.541 25.214 1.00 44.02 C ATOM 155 NE2 HIS A 10 -3.302 -30.343 25.358 1.00 21.14 N ATOM 0 H HIS A 10 -0.728 -31.239 19.697 1.00 21.31 H new ATOM 0 HA HIS A 10 -2.865 -32.558 21.207 1.00 14.35 H new ATOM 0 HB2 HIS A 10 -0.949 -32.690 22.739 1.00 35.33 H new ATOM 0 HB3 HIS A 10 -0.559 -31.004 22.462 1.00 35.33 H new ATOM 0 HD2 HIS A 10 -1.704 -29.299 24.281 1.00 71.33 H new ATOM 0 HE1 HIS A 10 -4.632 -31.953 25.810 1.00 44.02 H new ATOM 0 HE2 HIS A 10 -3.579 -29.652 26.055 1.00 21.14 H new ATOM 164 N MET A 11 -4.187 -30.493 20.842 1.00 71.40 N ATOM 165 CA MET A 11 -5.017 -29.292 20.639 1.00 32.02 C ATOM 166 C MET A 11 -5.235 -28.540 21.963 1.00 64.32 C ATOM 167 O MET A 11 -5.841 -29.071 22.895 1.00 73.33 O ATOM 168 CB MET A 11 -6.375 -29.686 20.035 1.00 3.21 C ATOM 169 CG MET A 11 -6.270 -30.341 18.664 1.00 65.14 C ATOM 170 SD MET A 11 -5.600 -29.230 17.410 1.00 22.22 S ATOM 171 CE MET A 11 -5.521 -30.322 15.990 1.00 73.04 C ATOM 0 H MET A 11 -4.719 -31.361 20.906 1.00 71.40 H new ATOM 0 HA MET A 11 -4.492 -28.630 19.950 1.00 32.02 H new ATOM 0 HB2 MET A 11 -6.881 -30.370 20.717 1.00 3.21 H new ATOM 0 HB3 MET A 11 -6.999 -28.796 19.955 1.00 3.21 H new ATOM 0 HG2 MET A 11 -5.636 -31.225 18.736 1.00 65.14 H new ATOM 0 HG3 MET A 11 -7.257 -30.681 18.352 1.00 65.14 H new ATOM 0 HE1 MET A 11 -5.125 -29.777 15.133 1.00 73.04 H new ATOM 0 HE2 MET A 11 -4.869 -31.166 16.216 1.00 73.04 H new ATOM 0 HE3 MET A 11 -6.521 -30.688 15.757 1.00 73.04 H new ATOM 181 N ALA A 12 -4.753 -27.301 22.041 1.00 32.34 N ATOM 182 CA ALA A 12 -4.834 -26.517 23.282 1.00 55.42 C ATOM 183 C ALA A 12 -5.476 -25.133 23.076 1.00 41.51 C ATOM 184 O ALA A 12 -4.850 -24.220 22.536 1.00 25.34 O ATOM 185 CB ALA A 12 -3.445 -26.368 23.885 1.00 74.23 C ATOM 0 H ALA A 12 -4.303 -26.816 21.265 1.00 32.34 H new ATOM 0 HA ALA A 12 -5.483 -27.063 23.967 1.00 55.42 H new ATOM 0 HB1 ALA A 12 -3.508 -25.786 24.805 1.00 74.23 H new ATOM 0 HB2 ALA A 12 -3.037 -27.354 24.106 1.00 74.23 H new ATOM 0 HB3 ALA A 12 -2.794 -25.857 23.176 1.00 74.23 H new ATOM 191 N LYS A 13 -6.733 -25.002 23.511 1.00 13.13 N ATOM 192 CA LYS A 13 -7.460 -23.719 23.517 1.00 5.42 C ATOM 193 C LYS A 13 -7.535 -23.037 22.133 1.00 61.14 C ATOM 194 O LYS A 13 -6.595 -22.360 21.700 1.00 4.13 O ATOM 195 CB LYS A 13 -6.844 -22.759 24.547 1.00 72.53 C ATOM 196 CG LYS A 13 -7.026 -23.218 25.992 1.00 45.35 C ATOM 197 CD LYS A 13 -6.463 -22.205 26.987 1.00 31.41 C ATOM 198 CE LYS A 13 -6.794 -22.585 28.425 1.00 3.33 C ATOM 199 NZ LYS A 13 -8.263 -22.668 28.650 1.00 20.04 N ATOM 0 H LYS A 13 -7.281 -25.783 23.871 1.00 13.13 H new ATOM 0 HA LYS A 13 -8.486 -23.957 23.796 1.00 5.42 H new ATOM 0 HB2 LYS A 13 -5.779 -22.651 24.340 1.00 72.53 H new ATOM 0 HB3 LYS A 13 -7.294 -21.773 24.428 1.00 72.53 H new ATOM 0 HG2 LYS A 13 -8.086 -23.373 26.193 1.00 45.35 H new ATOM 0 HG3 LYS A 13 -6.531 -24.179 26.133 1.00 45.35 H new ATOM 0 HD2 LYS A 13 -5.382 -22.140 26.867 1.00 31.41 H new ATOM 0 HD3 LYS A 13 -6.868 -21.217 26.769 1.00 31.41 H new ATOM 0 HE2 LYS A 13 -6.335 -23.545 28.662 1.00 3.33 H new ATOM 0 HE3 LYS A 13 -6.363 -21.849 29.104 1.00 3.33 H new ATOM 0 HZ1 LYS A 13 -8.463 -22.590 29.668 1.00 20.04 H new ATOM 0 HZ2 LYS A 13 -8.736 -21.893 28.143 1.00 20.04 H new ATOM 0 HZ3 LYS A 13 -8.617 -23.580 28.297 1.00 20.04 H new ATOM 213 N PRO A 14 -8.668 -23.200 21.420 1.00 30.32 N ATOM 214 CA PRO A 14 -8.922 -22.516 20.146 1.00 62.42 C ATOM 215 C PRO A 14 -9.441 -21.079 20.346 1.00 52.23 C ATOM 216 O PRO A 14 -10.521 -20.872 20.903 1.00 21.21 O ATOM 217 CB PRO A 14 -9.999 -23.394 19.472 1.00 73.33 C ATOM 218 CG PRO A 14 -10.278 -24.521 20.425 1.00 14.53 C ATOM 219 CD PRO A 14 -9.790 -24.073 21.775 1.00 20.13 C ATOM 0 HA PRO A 14 -8.013 -22.409 19.554 1.00 62.42 H new ATOM 0 HB2 PRO A 14 -10.903 -22.818 19.275 1.00 73.33 H new ATOM 0 HB3 PRO A 14 -9.647 -23.774 18.513 1.00 73.33 H new ATOM 0 HG2 PRO A 14 -11.344 -24.749 20.454 1.00 14.53 H new ATOM 0 HG3 PRO A 14 -9.766 -25.430 20.110 1.00 14.53 H new ATOM 0 HD2 PRO A 14 -10.561 -23.540 22.331 1.00 20.13 H new ATOM 0 HD3 PRO A 14 -9.474 -24.913 22.394 1.00 20.13 H new ATOM 227 N THR A 15 -8.666 -20.091 19.900 1.00 42.23 N ATOM 228 CA THR A 15 -9.063 -18.674 20.005 1.00 72.25 C ATOM 229 C THR A 15 -8.991 -17.963 18.643 1.00 1.15 C ATOM 230 O THR A 15 -8.492 -18.524 17.664 1.00 42.51 O ATOM 231 CB THR A 15 -8.187 -17.910 21.030 1.00 62.21 C ATOM 232 OG1 THR A 15 -8.568 -16.525 21.085 1.00 40.32 O ATOM 233 CG2 THR A 15 -6.706 -18.018 20.682 1.00 2.41 C ATOM 0 H THR A 15 -7.757 -20.239 19.461 1.00 42.23 H new ATOM 0 HA THR A 15 -10.096 -18.668 20.351 1.00 72.25 H new ATOM 0 HB THR A 15 -8.348 -18.368 22.006 1.00 62.21 H new ATOM 0 HG1 THR A 15 -8.007 -16.057 21.738 1.00 40.32 H new ATOM 0 HG21 THR A 15 -6.118 -17.472 21.420 1.00 2.41 H new ATOM 0 HG22 THR A 15 -6.407 -19.066 20.684 1.00 2.41 H new ATOM 0 HG23 THR A 15 -6.533 -17.593 19.693 1.00 2.41 H new ATOM 241 N ALA A 16 -9.488 -16.728 18.583 1.00 40.13 N ATOM 242 CA ALA A 16 -9.547 -15.974 17.324 1.00 61.15 C ATOM 243 C ALA A 16 -8.471 -14.877 17.249 1.00 64.32 C ATOM 244 O ALA A 16 -8.533 -13.880 17.968 1.00 24.14 O ATOM 245 CB ALA A 16 -10.933 -15.365 17.144 1.00 62.30 C ATOM 0 H ALA A 16 -9.857 -16.225 19.390 1.00 40.13 H new ATOM 0 HA ALA A 16 -9.348 -16.676 16.515 1.00 61.15 H new ATOM 0 HB1 ALA A 16 -10.967 -14.808 16.208 1.00 62.30 H new ATOM 0 HB2 ALA A 16 -11.679 -16.159 17.121 1.00 62.30 H new ATOM 0 HB3 ALA A 16 -11.145 -14.692 17.975 1.00 62.30 H new ATOM 251 N ARG A 17 -7.489 -15.070 16.371 1.00 54.54 N ATOM 252 CA ARG A 17 -6.436 -14.062 16.147 1.00 23.43 C ATOM 253 C ARG A 17 -6.705 -13.227 14.884 1.00 71.41 C ATOM 254 O ARG A 17 -6.071 -12.191 14.668 1.00 35.24 O ATOM 255 CB ARG A 17 -5.052 -14.727 16.078 1.00 13.32 C ATOM 256 CG ARG A 17 -4.990 -15.954 15.175 1.00 75.25 C ATOM 257 CD ARG A 17 -3.621 -16.623 15.237 1.00 13.03 C ATOM 258 NE ARG A 17 -3.633 -17.964 14.663 1.00 62.55 N ATOM 259 CZ ARG A 17 -2.756 -18.888 14.951 1.00 44.32 C ATOM 260 NH1 ARG A 17 -1.767 -18.632 15.750 1.00 72.23 N ATOM 261 NH2 ARG A 17 -2.867 -20.066 14.432 1.00 31.21 N ATOM 0 H ARG A 17 -7.394 -15.910 15.801 1.00 54.54 H new ATOM 0 HA ARG A 17 -6.450 -13.380 16.997 1.00 23.43 H new ATOM 0 HB2 ARG A 17 -4.327 -13.994 15.725 1.00 13.32 H new ATOM 0 HB3 ARG A 17 -4.750 -15.016 17.085 1.00 13.32 H new ATOM 0 HG2 ARG A 17 -5.759 -16.667 15.474 1.00 75.25 H new ATOM 0 HG3 ARG A 17 -5.208 -15.663 14.148 1.00 75.25 H new ATOM 0 HD2 ARG A 17 -2.895 -16.009 14.705 1.00 13.03 H new ATOM 0 HD3 ARG A 17 -3.292 -16.677 16.275 1.00 13.03 H new ATOM 0 HE ARG A 17 -4.370 -18.194 13.997 1.00 62.55 H new ATOM 0 HH11 ARG A 17 -1.669 -17.703 16.159 1.00 72.23 H new ATOM 0 HH12 ARG A 17 -1.087 -19.360 15.969 1.00 72.23 H new ATOM 0 HH21 ARG A 17 -3.639 -20.273 13.798 1.00 31.21 H new ATOM 0 HH22 ARG A 17 -2.183 -20.789 14.656 1.00 31.21 H new ATOM 275 N GLY A 18 -7.635 -13.683 14.045 1.00 12.35 N ATOM 276 CA GLY A 18 -8.083 -12.872 12.914 1.00 64.34 C ATOM 277 C GLY A 18 -7.742 -13.444 11.539 1.00 62.44 C ATOM 278 O GLY A 18 -6.634 -13.932 11.308 1.00 43.04 O ATOM 0 H GLY A 18 -8.086 -14.594 14.124 1.00 12.35 H new ATOM 0 HA2 GLY A 18 -9.164 -12.746 12.981 1.00 64.34 H new ATOM 0 HA3 GLY A 18 -7.640 -11.880 12.999 1.00 64.34 H new ATOM 282 N GLU A 19 -8.712 -13.376 10.627 1.00 23.21 N ATOM 283 CA GLU A 19 -8.514 -13.743 9.215 1.00 75.41 C ATOM 284 C GLU A 19 -8.406 -12.475 8.342 1.00 61.33 C ATOM 285 O GLU A 19 -8.052 -12.541 7.163 1.00 5.32 O ATOM 286 CB GLU A 19 -9.690 -14.618 8.737 1.00 42.32 C ATOM 287 CG GLU A 19 -9.643 -15.016 7.257 1.00 1.22 C ATOM 288 CD GLU A 19 -8.533 -16.007 6.924 1.00 51.34 C ATOM 289 OE1 GLU A 19 -7.396 -15.574 6.645 1.00 74.24 O ATOM 290 OE2 GLU A 19 -8.802 -17.228 6.923 1.00 51.53 O ATOM 0 H GLU A 19 -9.660 -13.065 10.841 1.00 23.21 H new ATOM 0 HA GLU A 19 -7.586 -14.308 9.122 1.00 75.41 H new ATOM 0 HB2 GLU A 19 -9.717 -15.525 9.341 1.00 42.32 H new ATOM 0 HB3 GLU A 19 -10.621 -14.083 8.924 1.00 42.32 H new ATOM 0 HG2 GLU A 19 -10.602 -15.451 6.976 1.00 1.22 H new ATOM 0 HG3 GLU A 19 -9.510 -14.119 6.653 1.00 1.22 H new ATOM 297 N ALA A 20 -8.710 -11.324 8.957 1.00 51.43 N ATOM 298 CA ALA A 20 -8.729 -10.017 8.280 1.00 23.20 C ATOM 299 C ALA A 20 -9.984 -9.847 7.406 1.00 62.42 C ATOM 300 O ALA A 20 -10.412 -10.777 6.721 1.00 33.31 O ATOM 301 CB ALA A 20 -7.459 -9.796 7.464 1.00 31.13 C ATOM 0 H ALA A 20 -8.952 -11.272 9.947 1.00 51.43 H new ATOM 0 HA ALA A 20 -8.765 -9.253 9.057 1.00 23.20 H new ATOM 0 HB1 ALA A 20 -7.504 -8.822 6.977 1.00 31.13 H new ATOM 0 HB2 ALA A 20 -6.592 -9.832 8.124 1.00 31.13 H new ATOM 0 HB3 ALA A 20 -7.372 -10.576 6.708 1.00 31.13 H new ATOM 307 N GLY A 21 -10.576 -8.655 7.439 1.00 5.23 N ATOM 308 CA GLY A 21 -11.824 -8.410 6.719 1.00 3.44 C ATOM 309 C GLY A 21 -11.639 -7.681 5.391 1.00 4.10 C ATOM 310 O GLY A 21 -12.142 -8.127 4.356 1.00 22.13 O ATOM 0 H GLY A 21 -10.216 -7.850 7.952 1.00 5.23 H new ATOM 0 HA2 GLY A 21 -12.318 -9.364 6.533 1.00 3.44 H new ATOM 0 HA3 GLY A 21 -12.489 -7.825 7.354 1.00 3.44 H new ATOM 314 N SER A 22 -10.926 -6.555 5.416 1.00 63.14 N ATOM 315 CA SER A 22 -10.727 -5.734 4.209 1.00 71.32 C ATOM 316 C SER A 22 -9.958 -6.508 3.126 1.00 65.40 C ATOM 317 O SER A 22 -9.049 -7.282 3.432 1.00 3.50 O ATOM 318 CB SER A 22 -9.964 -4.444 4.555 1.00 23.55 C ATOM 319 OG SER A 22 -10.557 -3.769 5.659 1.00 24.00 O ATOM 0 H SER A 22 -10.475 -6.186 6.254 1.00 63.14 H new ATOM 0 HA SER A 22 -11.713 -5.480 3.820 1.00 71.32 H new ATOM 0 HB2 SER A 22 -8.927 -4.685 4.788 1.00 23.55 H new ATOM 0 HB3 SER A 22 -9.951 -3.784 3.688 1.00 23.55 H new ATOM 0 HG SER A 22 -10.193 -4.127 6.495 1.00 24.00 H new ATOM 325 N ARG A 23 -10.313 -6.285 1.858 1.00 31.21 N ATOM 326 CA ARG A 23 -9.676 -6.994 0.739 1.00 14.35 C ATOM 327 C ARG A 23 -8.165 -6.716 0.692 1.00 45.04 C ATOM 328 O ARG A 23 -7.368 -7.603 0.377 1.00 0.33 O ATOM 329 CB ARG A 23 -10.324 -6.594 -0.595 1.00 62.50 C ATOM 330 CG ARG A 23 -11.828 -6.854 -0.653 1.00 1.54 C ATOM 331 CD ARG A 23 -12.401 -6.562 -2.038 1.00 52.40 C ATOM 332 NE ARG A 23 -13.859 -6.679 -2.078 1.00 24.33 N ATOM 333 CZ ARG A 23 -14.525 -7.333 -2.993 1.00 54.41 C ATOM 334 NH1 ARG A 23 -13.906 -8.045 -3.880 1.00 21.41 N ATOM 335 NH2 ARG A 23 -15.819 -7.301 -2.992 1.00 44.33 N ATOM 0 H ARG A 23 -11.036 -5.622 1.578 1.00 31.21 H new ATOM 0 HA ARG A 23 -9.824 -8.062 0.898 1.00 14.35 H new ATOM 0 HB2 ARG A 23 -10.141 -5.534 -0.774 1.00 62.50 H new ATOM 0 HB3 ARG A 23 -9.839 -7.142 -1.403 1.00 62.50 H new ATOM 0 HG2 ARG A 23 -12.028 -7.892 -0.389 1.00 1.54 H new ATOM 0 HG3 ARG A 23 -12.333 -6.234 0.087 1.00 1.54 H new ATOM 0 HD2 ARG A 23 -12.112 -5.556 -2.342 1.00 52.40 H new ATOM 0 HD3 ARG A 23 -11.965 -7.251 -2.761 1.00 52.40 H new ATOM 0 HE ARG A 23 -14.393 -6.218 -1.341 1.00 24.33 H new ATOM 0 HH11 ARG A 23 -12.888 -8.100 -3.870 1.00 21.41 H new ATOM 0 HH12 ARG A 23 -14.437 -8.551 -4.589 1.00 21.41 H new ATOM 0 HH21 ARG A 23 -16.315 -6.767 -2.279 1.00 44.33 H new ATOM 0 HH22 ARG A 23 -16.342 -7.810 -3.704 1.00 44.33 H new ATOM 349 N ASP A 24 -7.781 -5.479 1.010 1.00 32.23 N ATOM 350 CA ASP A 24 -6.365 -5.103 1.098 1.00 40.03 C ATOM 351 C ASP A 24 -5.636 -5.915 2.189 1.00 14.50 C ATOM 352 O ASP A 24 -4.539 -6.430 1.962 1.00 12.40 O ATOM 353 CB ASP A 24 -6.230 -3.591 1.342 1.00 24.25 C ATOM 354 CG ASP A 24 -7.167 -3.086 2.428 1.00 3.11 C ATOM 355 OD1 ASP A 24 -6.891 -3.321 3.619 1.00 32.14 O ATOM 356 OD2 ASP A 24 -8.187 -2.443 2.094 1.00 30.40 O ATOM 0 H ASP A 24 -8.430 -4.718 1.212 1.00 32.23 H new ATOM 0 HA ASP A 24 -5.888 -5.340 0.147 1.00 40.03 H new ATOM 0 HB2 ASP A 24 -5.201 -3.362 1.620 1.00 24.25 H new ATOM 0 HB3 ASP A 24 -6.435 -3.058 0.414 1.00 24.25 H new ATOM 361 N GLU A 25 -6.256 -6.032 3.368 1.00 25.02 N ATOM 362 CA GLU A 25 -5.736 -6.889 4.444 1.00 44.23 C ATOM 363 C GLU A 25 -5.501 -8.327 3.949 1.00 2.33 C ATOM 364 O GLU A 25 -4.435 -8.909 4.170 1.00 31.22 O ATOM 365 CB GLU A 25 -6.713 -6.932 5.630 1.00 24.34 C ATOM 366 CG GLU A 25 -6.882 -5.614 6.381 1.00 60.44 C ATOM 367 CD GLU A 25 -7.823 -5.746 7.576 1.00 10.42 C ATOM 368 OE1 GLU A 25 -7.390 -6.262 8.630 1.00 14.55 O ATOM 369 OE2 GLU A 25 -9.005 -5.353 7.468 1.00 54.12 O ATOM 0 H GLU A 25 -7.120 -5.544 3.604 1.00 25.02 H new ATOM 0 HA GLU A 25 -4.787 -6.458 4.764 1.00 44.23 H new ATOM 0 HB2 GLU A 25 -7.689 -7.251 5.265 1.00 24.34 H new ATOM 0 HB3 GLU A 25 -6.372 -7.691 6.334 1.00 24.34 H new ATOM 0 HG2 GLU A 25 -5.908 -5.267 6.725 1.00 60.44 H new ATOM 0 HG3 GLU A 25 -7.268 -4.856 5.699 1.00 60.44 H new ATOM 376 N ARG A 26 -6.508 -8.885 3.273 1.00 60.22 N ATOM 377 CA ARG A 26 -6.433 -10.254 2.742 1.00 70.03 C ATOM 378 C ARG A 26 -5.244 -10.428 1.786 1.00 21.04 C ATOM 379 O ARG A 26 -4.692 -11.522 1.655 1.00 31.14 O ATOM 380 CB ARG A 26 -7.740 -10.616 2.024 1.00 62.41 C ATOM 381 CG ARG A 26 -8.982 -10.508 2.906 1.00 52.30 C ATOM 382 CD ARG A 26 -8.910 -11.425 4.124 1.00 1.44 C ATOM 383 NE ARG A 26 -8.814 -12.834 3.750 1.00 3.31 N ATOM 384 CZ ARG A 26 -9.829 -13.564 3.379 1.00 42.02 C ATOM 385 NH1 ARG A 26 -11.022 -13.058 3.320 1.00 12.22 N ATOM 386 NH2 ARG A 26 -9.649 -14.801 3.070 1.00 41.10 N ATOM 0 H ARG A 26 -7.389 -8.410 3.078 1.00 60.22 H new ATOM 0 HA ARG A 26 -6.284 -10.927 3.586 1.00 70.03 H new ATOM 0 HB2 ARG A 26 -7.862 -9.962 1.161 1.00 62.41 H new ATOM 0 HB3 ARG A 26 -7.664 -11.635 1.644 1.00 62.41 H new ATOM 0 HG2 ARG A 26 -9.101 -9.476 3.237 1.00 52.30 H new ATOM 0 HG3 ARG A 26 -9.865 -10.758 2.318 1.00 52.30 H new ATOM 0 HD2 ARG A 26 -8.047 -11.153 4.731 1.00 1.44 H new ATOM 0 HD3 ARG A 26 -9.795 -11.275 4.743 1.00 1.44 H new ATOM 0 HE ARG A 26 -7.895 -13.275 3.781 1.00 3.31 H new ATOM 0 HH11 ARG A 26 -11.174 -12.080 3.565 1.00 12.22 H new ATOM 0 HH12 ARG A 26 -11.808 -13.639 3.028 1.00 12.22 H new ATOM 0 HH21 ARG A 26 -8.715 -15.207 3.116 1.00 41.10 H new ATOM 0 HH22 ARG A 26 -10.441 -15.375 2.779 1.00 41.10 H new ATOM 400 N ARG A 27 -4.859 -9.347 1.115 1.00 53.02 N ATOM 401 CA ARG A 27 -3.682 -9.356 0.240 1.00 23.24 C ATOM 402 C ARG A 27 -2.386 -9.256 1.065 1.00 41.51 C ATOM 403 O ARG A 27 -1.401 -9.946 0.793 1.00 12.45 O ATOM 404 CB ARG A 27 -3.743 -8.185 -0.748 1.00 1.13 C ATOM 405 CG ARG A 27 -4.941 -8.208 -1.694 1.00 63.30 C ATOM 406 CD ARG A 27 -4.942 -6.982 -2.602 1.00 52.15 C ATOM 407 NE ARG A 27 -6.075 -6.956 -3.521 1.00 11.03 N ATOM 408 CZ ARG A 27 -6.104 -6.233 -4.604 1.00 4.14 C ATOM 409 NH1 ARG A 27 -5.074 -5.526 -4.935 1.00 10.32 N ATOM 410 NH2 ARG A 27 -7.156 -6.226 -5.356 1.00 43.44 N ATOM 0 H ARG A 27 -5.343 -8.450 1.158 1.00 53.02 H new ATOM 0 HA ARG A 27 -3.681 -10.297 -0.310 1.00 23.24 H new ATOM 0 HB2 ARG A 27 -3.761 -7.252 -0.184 1.00 1.13 H new ATOM 0 HB3 ARG A 27 -2.829 -8.181 -1.342 1.00 1.13 H new ATOM 0 HG2 ARG A 27 -4.914 -9.114 -2.300 1.00 63.30 H new ATOM 0 HG3 ARG A 27 -5.865 -8.238 -1.116 1.00 63.30 H new ATOM 0 HD2 ARG A 27 -4.958 -6.082 -1.988 1.00 52.15 H new ATOM 0 HD3 ARG A 27 -4.015 -6.960 -3.175 1.00 52.15 H new ATOM 0 HE ARG A 27 -6.887 -7.534 -3.304 1.00 11.03 H new ATOM 0 HH11 ARG A 27 -4.240 -5.535 -4.348 1.00 10.32 H new ATOM 0 HH12 ARG A 27 -5.095 -4.959 -5.783 1.00 10.32 H new ATOM 0 HH21 ARG A 27 -7.968 -6.788 -5.102 1.00 43.44 H new ATOM 0 HH22 ARG A 27 -7.174 -5.658 -6.203 1.00 43.44 H new ATOM 424 N ALA A 28 -2.405 -8.386 2.077 1.00 42.41 N ATOM 425 CA ALA A 28 -1.241 -8.155 2.940 1.00 20.40 C ATOM 426 C ALA A 28 -0.714 -9.462 3.552 1.00 13.14 C ATOM 427 O ALA A 28 0.471 -9.781 3.438 1.00 31.32 O ATOM 428 CB ALA A 28 -1.591 -7.163 4.044 1.00 53.13 C ATOM 0 H ALA A 28 -3.221 -7.825 2.322 1.00 42.41 H new ATOM 0 HA ALA A 28 -0.449 -7.738 2.318 1.00 20.40 H new ATOM 0 HB1 ALA A 28 -0.719 -7.001 4.677 1.00 53.13 H new ATOM 0 HB2 ALA A 28 -1.898 -6.216 3.599 1.00 53.13 H new ATOM 0 HB3 ALA A 28 -2.407 -7.562 4.646 1.00 53.13 H new ATOM 434 N LEU A 29 -1.607 -10.222 4.185 1.00 74.20 N ATOM 435 CA LEU A 29 -1.233 -11.492 4.829 1.00 1.12 C ATOM 436 C LEU A 29 -0.795 -12.552 3.800 1.00 71.31 C ATOM 437 O LEU A 29 -0.060 -13.485 4.126 1.00 44.41 O ATOM 438 CB LEU A 29 -2.400 -12.002 5.702 1.00 1.44 C ATOM 439 CG LEU A 29 -3.762 -12.170 4.988 1.00 32.33 C ATOM 440 CD1 LEU A 29 -3.861 -13.509 4.257 1.00 74.45 C ATOM 441 CD2 LEU A 29 -4.914 -12.006 5.977 1.00 60.02 C ATOM 0 H LEU A 29 -2.596 -9.985 4.269 1.00 74.20 H new ATOM 0 HA LEU A 29 -0.371 -11.307 5.470 1.00 1.12 H new ATOM 0 HB2 LEU A 29 -2.115 -12.964 6.128 1.00 1.44 H new ATOM 0 HB3 LEU A 29 -2.532 -11.312 6.535 1.00 1.44 H new ATOM 0 HG LEU A 29 -3.835 -11.384 4.236 1.00 32.33 H new ATOM 0 HD11 LEU A 29 -4.833 -13.586 3.769 1.00 74.45 H new ATOM 0 HD12 LEU A 29 -3.073 -13.573 3.507 1.00 74.45 H new ATOM 0 HD13 LEU A 29 -3.748 -14.323 4.973 1.00 74.45 H new ATOM 0 HD21 LEU A 29 -5.863 -12.128 5.454 1.00 60.02 H new ATOM 0 HD22 LEU A 29 -4.832 -12.760 6.760 1.00 60.02 H new ATOM 0 HD23 LEU A 29 -4.871 -11.013 6.424 1.00 60.02 H new ATOM 453 N ALA A 30 -1.237 -12.390 2.552 1.00 45.10 N ATOM 454 CA ALA A 30 -0.861 -13.307 1.469 1.00 55.11 C ATOM 455 C ALA A 30 0.594 -13.091 1.021 1.00 31.44 C ATOM 456 O ALA A 30 1.323 -14.049 0.751 1.00 55.54 O ATOM 457 CB ALA A 30 -1.815 -13.143 0.290 1.00 33.13 C ATOM 0 H ALA A 30 -1.856 -11.633 2.264 1.00 45.10 H new ATOM 0 HA ALA A 30 -0.937 -14.325 1.850 1.00 55.11 H new ATOM 0 HB1 ALA A 30 -1.528 -13.827 -0.508 1.00 33.13 H new ATOM 0 HB2 ALA A 30 -2.832 -13.367 0.611 1.00 33.13 H new ATOM 0 HB3 ALA A 30 -1.767 -12.118 -0.077 1.00 33.13 H new ATOM 463 N MET A 31 1.011 -11.825 0.947 1.00 51.54 N ATOM 464 CA MET A 31 2.383 -11.479 0.539 1.00 2.13 C ATOM 465 C MET A 31 3.238 -11.013 1.731 1.00 64.22 C ATOM 466 O MET A 31 4.313 -10.438 1.549 1.00 11.31 O ATOM 467 CB MET A 31 2.350 -10.398 -0.550 1.00 21.32 C ATOM 468 CG MET A 31 1.653 -10.843 -1.830 1.00 55.22 C ATOM 469 SD MET A 31 2.457 -12.261 -2.609 1.00 53.03 S ATOM 470 CE MET A 31 4.069 -11.576 -2.998 1.00 43.43 C ATOM 0 H MET A 31 0.422 -11.020 1.163 1.00 51.54 H new ATOM 0 HA MET A 31 2.847 -12.381 0.140 1.00 2.13 H new ATOM 0 HB2 MET A 31 1.844 -9.515 -0.159 1.00 21.32 H new ATOM 0 HB3 MET A 31 3.372 -10.101 -0.787 1.00 21.32 H new ATOM 0 HG2 MET A 31 0.617 -11.097 -1.605 1.00 55.22 H new ATOM 0 HG3 MET A 31 1.631 -10.011 -2.534 1.00 55.22 H new ATOM 0 HE1 MET A 31 4.565 -12.208 -3.735 1.00 43.43 H new ATOM 0 HE2 MET A 31 3.949 -10.571 -3.404 1.00 43.43 H new ATOM 0 HE3 MET A 31 4.674 -11.532 -2.092 1.00 43.43 H new ATOM 480 N LYS A 32 2.745 -11.259 2.947 1.00 74.14 N ATOM 481 CA LYS A 32 3.511 -11.015 4.184 1.00 74.10 C ATOM 482 C LYS A 32 3.922 -9.540 4.360 1.00 0.01 C ATOM 483 O LYS A 32 5.017 -9.246 4.848 1.00 43.12 O ATOM 484 CB LYS A 32 4.753 -11.920 4.213 1.00 63.21 C ATOM 485 CG LYS A 32 4.415 -13.405 4.256 1.00 25.15 C ATOM 486 CD LYS A 32 5.661 -14.284 4.221 1.00 22.54 C ATOM 487 CE LYS A 32 5.306 -15.764 4.312 1.00 71.12 C ATOM 488 NZ LYS A 32 4.417 -16.191 3.198 1.00 40.14 N ATOM 0 H LYS A 32 1.809 -11.631 3.108 1.00 74.14 H new ATOM 0 HA LYS A 32 2.853 -11.255 5.019 1.00 74.10 H new ATOM 0 HB2 LYS A 32 5.362 -11.718 3.332 1.00 63.21 H new ATOM 0 HB3 LYS A 32 5.358 -11.667 5.083 1.00 63.21 H new ATOM 0 HG2 LYS A 32 3.847 -13.620 5.161 1.00 25.15 H new ATOM 0 HG3 LYS A 32 3.774 -13.654 3.411 1.00 25.15 H new ATOM 0 HD2 LYS A 32 6.213 -14.098 3.300 1.00 22.54 H new ATOM 0 HD3 LYS A 32 6.320 -14.016 5.047 1.00 22.54 H new ATOM 0 HE2 LYS A 32 6.220 -16.358 4.295 1.00 71.12 H new ATOM 0 HE3 LYS A 32 4.815 -15.962 5.265 1.00 71.12 H new ATOM 0 HZ1 LYS A 32 4.363 -17.229 3.176 1.00 40.14 H new ATOM 0 HZ2 LYS A 32 3.465 -15.798 3.343 1.00 40.14 H new ATOM 0 HZ3 LYS A 32 4.801 -15.845 2.295 1.00 40.14 H new ATOM 502 N ILE A 33 3.033 -8.621 3.994 1.00 32.04 N ATOM 503 CA ILE A 33 3.280 -7.185 4.181 1.00 71.21 C ATOM 504 C ILE A 33 3.360 -6.831 5.683 1.00 45.12 C ATOM 505 O ILE A 33 2.377 -6.971 6.412 1.00 64.41 O ATOM 506 CB ILE A 33 2.172 -6.342 3.500 1.00 31.33 C ATOM 507 CG1 ILE A 33 2.101 -6.661 1.994 1.00 55.42 C ATOM 508 CG2 ILE A 33 2.402 -4.848 3.723 1.00 5.44 C ATOM 509 CD1 ILE A 33 3.397 -6.412 1.247 1.00 63.31 C ATOM 0 H ILE A 33 2.134 -8.840 3.566 1.00 32.04 H new ATOM 0 HA ILE A 33 4.237 -6.950 3.715 1.00 71.21 H new ATOM 0 HB ILE A 33 1.218 -6.606 3.956 1.00 31.33 H new ATOM 0 HG12 ILE A 33 1.816 -7.706 1.868 1.00 55.42 H new ATOM 0 HG13 ILE A 33 1.312 -6.059 1.543 1.00 55.42 H new ATOM 0 HG21 ILE A 33 1.610 -4.281 3.234 1.00 5.44 H new ATOM 0 HG22 ILE A 33 2.395 -4.634 4.792 1.00 5.44 H new ATOM 0 HG23 ILE A 33 3.366 -4.561 3.302 1.00 5.44 H new ATOM 0 HD11 ILE A 33 3.264 -6.661 0.194 1.00 63.31 H new ATOM 0 HD12 ILE A 33 3.674 -5.362 1.340 1.00 63.31 H new ATOM 0 HD13 ILE A 33 4.186 -7.034 1.670 1.00 63.31 H new ATOM 521 N PRO A 34 4.536 -6.374 6.166 1.00 0.40 N ATOM 522 CA PRO A 34 4.771 -6.115 7.598 1.00 42.24 C ATOM 523 C PRO A 34 4.344 -4.713 8.074 1.00 50.43 C ATOM 524 O PRO A 34 4.822 -4.237 9.106 1.00 3.14 O ATOM 525 CB PRO A 34 6.291 -6.276 7.697 1.00 41.53 C ATOM 526 CG PRO A 34 6.804 -5.763 6.392 1.00 33.12 C ATOM 527 CD PRO A 34 5.745 -6.091 5.361 1.00 64.41 C ATOM 0 HA PRO A 34 4.183 -6.780 8.230 1.00 42.24 H new ATOM 0 HB2 PRO A 34 6.697 -5.709 8.534 1.00 41.53 H new ATOM 0 HB3 PRO A 34 6.571 -7.318 7.852 1.00 41.53 H new ATOM 0 HG2 PRO A 34 6.981 -4.689 6.439 1.00 33.12 H new ATOM 0 HG3 PRO A 34 7.754 -6.232 6.136 1.00 33.12 H new ATOM 0 HD2 PRO A 34 5.583 -5.258 4.677 1.00 64.41 H new ATOM 0 HD3 PRO A 34 6.031 -6.951 4.755 1.00 64.41 H new ATOM 535 N PHE A 35 3.441 -4.058 7.346 1.00 64.04 N ATOM 536 CA PHE A 35 2.965 -2.722 7.739 1.00 23.14 C ATOM 537 C PHE A 35 1.492 -2.502 7.343 1.00 5.11 C ATOM 538 O PHE A 35 0.991 -3.128 6.408 1.00 30.42 O ATOM 539 CB PHE A 35 3.870 -1.623 7.148 1.00 31.10 C ATOM 540 CG PHE A 35 4.072 -1.700 5.653 1.00 15.23 C ATOM 541 CD1 PHE A 35 5.054 -2.521 5.116 1.00 23.10 C ATOM 542 CD2 PHE A 35 3.294 -0.945 4.787 1.00 62.03 C ATOM 543 CE1 PHE A 35 5.256 -2.584 3.753 1.00 52.41 C ATOM 544 CE2 PHE A 35 3.494 -1.008 3.422 1.00 61.14 C ATOM 545 CZ PHE A 35 4.474 -1.829 2.904 1.00 12.20 C ATOM 0 H PHE A 35 3.025 -4.421 6.489 1.00 64.04 H new ATOM 0 HA PHE A 35 3.019 -2.660 8.826 1.00 23.14 H new ATOM 0 HB2 PHE A 35 3.443 -0.651 7.392 1.00 31.10 H new ATOM 0 HB3 PHE A 35 4.844 -1.674 7.635 1.00 31.10 H new ATOM 0 HD1 PHE A 35 5.668 -3.118 5.774 1.00 23.10 H new ATOM 0 HD2 PHE A 35 2.524 -0.301 5.185 1.00 62.03 H new ATOM 0 HE1 PHE A 35 6.027 -3.225 3.350 1.00 52.41 H new ATOM 0 HE2 PHE A 35 2.882 -0.414 2.759 1.00 61.14 H new ATOM 0 HZ PHE A 35 4.629 -1.880 1.836 1.00 12.20 H new ATOM 555 N PRO A 36 0.779 -1.606 8.064 1.00 4.14 N ATOM 556 CA PRO A 36 -0.673 -1.389 7.880 1.00 24.10 C ATOM 557 C PRO A 36 -1.077 -0.937 6.462 1.00 44.30 C ATOM 558 O PRO A 36 -0.445 -0.064 5.863 1.00 21.41 O ATOM 559 CB PRO A 36 -1.006 -0.294 8.907 1.00 45.40 C ATOM 560 CG PRO A 36 0.298 0.351 9.225 1.00 13.12 C ATOM 561 CD PRO A 36 1.322 -0.739 9.128 1.00 1.33 C ATOM 0 HA PRO A 36 -1.219 -2.322 8.018 1.00 24.10 H new ATOM 0 HB2 PRO A 36 -1.713 0.428 8.498 1.00 45.40 H new ATOM 0 HB3 PRO A 36 -1.464 -0.718 9.801 1.00 45.40 H new ATOM 0 HG2 PRO A 36 0.517 1.158 8.525 1.00 13.12 H new ATOM 0 HG3 PRO A 36 0.285 0.789 10.223 1.00 13.12 H new ATOM 0 HD2 PRO A 36 2.306 -0.348 8.868 1.00 1.33 H new ATOM 0 HD3 PRO A 36 1.431 -1.276 10.070 1.00 1.33 H new ATOM 569 N THR A 37 -2.165 -1.520 5.955 1.00 24.11 N ATOM 570 CA THR A 37 -2.686 -1.197 4.619 1.00 14.12 C ATOM 571 C THR A 37 -3.240 0.232 4.552 1.00 24.01 C ATOM 572 O THR A 37 -3.045 0.940 3.564 1.00 32.14 O ATOM 573 CB THR A 37 -3.808 -2.175 4.210 1.00 34.11 C ATOM 574 OG1 THR A 37 -4.886 -2.107 5.160 1.00 5.55 O ATOM 575 CG2 THR A 37 -3.292 -3.610 4.134 1.00 71.02 C ATOM 0 H THR A 37 -2.709 -2.225 6.452 1.00 24.11 H new ATOM 0 HA THR A 37 -1.845 -1.287 3.931 1.00 14.12 H new ATOM 0 HB THR A 37 -4.164 -1.883 3.222 1.00 34.11 H new ATOM 0 HG1 THR A 37 -5.693 -2.501 4.768 1.00 5.55 H new ATOM 0 HG21 THR A 37 -4.106 -4.274 3.844 1.00 71.02 H new ATOM 0 HG22 THR A 37 -2.493 -3.671 3.395 1.00 71.02 H new ATOM 0 HG23 THR A 37 -2.908 -3.911 5.109 1.00 71.02 H new ATOM 583 N ASP A 38 -3.933 0.648 5.610 1.00 74.32 N ATOM 584 CA ASP A 38 -4.490 2.003 5.698 1.00 30.32 C ATOM 585 C ASP A 38 -3.401 3.071 5.511 1.00 3.11 C ATOM 586 O ASP A 38 -3.637 4.117 4.907 1.00 14.42 O ATOM 587 CB ASP A 38 -5.195 2.189 7.045 1.00 44.40 C ATOM 588 CG ASP A 38 -4.292 1.839 8.215 1.00 42.40 C ATOM 589 OD1 ASP A 38 -4.143 0.636 8.510 1.00 23.11 O ATOM 590 OD2 ASP A 38 -3.714 2.763 8.825 1.00 62.14 O ATOM 0 H ASP A 38 -4.125 0.065 6.425 1.00 74.32 H new ATOM 0 HA ASP A 38 -5.214 2.126 4.893 1.00 30.32 H new ATOM 0 HB2 ASP A 38 -5.527 3.223 7.140 1.00 44.40 H new ATOM 0 HB3 ASP A 38 -6.087 1.564 7.076 1.00 44.40 H new ATOM 595 N LYS A 39 -2.204 2.789 6.027 1.00 74.22 N ATOM 596 CA LYS A 39 -1.055 3.683 5.862 1.00 2.35 C ATOM 597 C LYS A 39 -0.687 3.829 4.378 1.00 1.43 C ATOM 598 O LYS A 39 -0.403 4.928 3.903 1.00 41.42 O ATOM 599 CB LYS A 39 0.141 3.156 6.672 1.00 4.04 C ATOM 600 CG LYS A 39 1.368 4.062 6.633 1.00 32.31 C ATOM 601 CD LYS A 39 2.353 3.751 7.758 1.00 43.04 C ATOM 602 CE LYS A 39 1.715 3.964 9.125 1.00 51.52 C ATOM 603 NZ LYS A 39 2.685 3.795 10.235 1.00 33.14 N ATOM 0 H LYS A 39 -2.004 1.946 6.565 1.00 74.22 H new ATOM 0 HA LYS A 39 -1.323 4.670 6.238 1.00 2.35 H new ATOM 0 HB2 LYS A 39 -0.167 3.024 7.709 1.00 4.04 H new ATOM 0 HB3 LYS A 39 0.417 2.172 6.293 1.00 4.04 H new ATOM 0 HG2 LYS A 39 1.870 3.949 5.672 1.00 32.31 H new ATOM 0 HG3 LYS A 39 1.051 5.102 6.707 1.00 32.31 H new ATOM 0 HD2 LYS A 39 2.695 2.720 7.670 1.00 43.04 H new ATOM 0 HD3 LYS A 39 3.232 4.388 7.661 1.00 43.04 H new ATOM 0 HE2 LYS A 39 1.286 4.965 9.171 1.00 51.52 H new ATOM 0 HE3 LYS A 39 0.894 3.259 9.253 1.00 51.52 H new ATOM 0 HZ1 LYS A 39 2.203 3.950 11.144 1.00 33.14 H new ATOM 0 HZ2 LYS A 39 3.076 2.832 10.210 1.00 33.14 H new ATOM 0 HZ3 LYS A 39 3.456 4.485 10.130 1.00 33.14 H new ATOM 617 N ILE A 40 -0.729 2.713 3.651 1.00 14.14 N ATOM 618 CA ILE A 40 -0.471 2.706 2.204 1.00 31.01 C ATOM 619 C ILE A 40 -1.469 3.608 1.456 1.00 24.33 C ATOM 620 O ILE A 40 -1.129 4.257 0.467 1.00 20.33 O ATOM 621 CB ILE A 40 -0.580 1.267 1.636 1.00 54.33 C ATOM 622 CG1 ILE A 40 0.320 0.302 2.424 1.00 42.42 C ATOM 623 CG2 ILE A 40 -0.224 1.243 0.151 1.00 21.31 C ATOM 624 CD1 ILE A 40 0.166 -1.151 2.013 1.00 15.44 C ATOM 0 H ILE A 40 -0.940 1.794 4.040 1.00 14.14 H new ATOM 0 HA ILE A 40 0.539 3.087 2.055 1.00 31.01 H new ATOM 0 HB ILE A 40 -1.613 0.937 1.745 1.00 54.33 H new ATOM 0 HG12 ILE A 40 1.360 0.599 2.291 1.00 42.42 H new ATOM 0 HG13 ILE A 40 0.095 0.395 3.486 1.00 42.42 H new ATOM 0 HG21 ILE A 40 -0.307 0.224 -0.227 1.00 21.31 H new ATOM 0 HG22 ILE A 40 -0.908 1.890 -0.398 1.00 21.31 H new ATOM 0 HG23 ILE A 40 0.798 1.598 0.016 1.00 21.31 H new ATOM 0 HD11 ILE A 40 0.832 -1.771 2.612 1.00 15.44 H new ATOM 0 HD12 ILE A 40 -0.865 -1.467 2.172 1.00 15.44 H new ATOM 0 HD13 ILE A 40 0.420 -1.260 0.959 1.00 15.44 H new ATOM 636 N VAL A 41 -2.707 3.630 1.944 1.00 23.04 N ATOM 637 CA VAL A 41 -3.783 4.416 1.329 1.00 11.33 C ATOM 638 C VAL A 41 -3.712 5.904 1.713 1.00 3.14 C ATOM 639 O VAL A 41 -3.933 6.788 0.883 1.00 41.34 O ATOM 640 CB VAL A 41 -5.170 3.873 1.759 1.00 42.20 C ATOM 641 CG1 VAL A 41 -6.297 4.609 1.036 1.00 43.41 C ATOM 642 CG2 VAL A 41 -5.263 2.366 1.533 1.00 31.23 C ATOM 0 H VAL A 41 -2.995 3.108 2.772 1.00 23.04 H new ATOM 0 HA VAL A 41 -3.652 4.323 0.251 1.00 11.33 H new ATOM 0 HB VAL A 41 -5.284 4.057 2.827 1.00 42.20 H new ATOM 0 HG11 VAL A 41 -7.258 4.208 1.357 1.00 43.41 H new ATOM 0 HG12 VAL A 41 -6.250 5.671 1.275 1.00 43.41 H new ATOM 0 HG13 VAL A 41 -6.188 4.474 -0.040 1.00 43.41 H new ATOM 0 HG21 VAL A 41 -6.246 2.012 1.843 1.00 31.23 H new ATOM 0 HG22 VAL A 41 -5.115 2.147 0.476 1.00 31.23 H new ATOM 0 HG23 VAL A 41 -4.494 1.862 2.119 1.00 31.23 H new ATOM 652 N ASN A 42 -3.407 6.168 2.978 1.00 11.02 N ATOM 653 CA ASN A 42 -3.504 7.522 3.537 1.00 53.30 C ATOM 654 C ASN A 42 -2.214 8.343 3.373 1.00 21.30 C ATOM 655 O ASN A 42 -2.245 9.568 3.493 1.00 40.25 O ATOM 656 CB ASN A 42 -3.922 7.437 5.009 1.00 53.24 C ATOM 657 CG ASN A 42 -5.365 6.979 5.152 1.00 61.42 C ATOM 658 OD1 ASN A 42 -6.221 7.331 4.348 1.00 44.00 O ATOM 659 ND2 ASN A 42 -5.644 6.165 6.147 1.00 61.31 N ATOM 0 H ASN A 42 -3.089 5.463 3.643 1.00 11.02 H new ATOM 0 HA ASN A 42 -4.265 8.056 2.968 1.00 53.30 H new ATOM 0 HB2 ASN A 42 -3.265 6.744 5.536 1.00 53.24 H new ATOM 0 HB3 ASN A 42 -3.800 8.412 5.480 1.00 53.24 H new ATOM 0 HD21 ASN A 42 -6.593 5.810 6.265 1.00 61.31 H new ATOM 0 HD22 ASN A 42 -4.911 5.889 6.801 1.00 61.31 H new ATOM 666 N LEU A 43 -1.084 7.690 3.103 1.00 24.11 N ATOM 667 CA LEU A 43 0.159 8.419 2.810 1.00 61.01 C ATOM 668 C LEU A 43 0.209 8.861 1.338 1.00 54.55 C ATOM 669 O LEU A 43 -0.139 8.094 0.437 1.00 70.45 O ATOM 670 CB LEU A 43 1.400 7.567 3.128 1.00 0.24 C ATOM 671 CG LEU A 43 1.686 7.332 4.622 1.00 74.10 C ATOM 672 CD1 LEU A 43 2.986 6.553 4.804 1.00 41.03 C ATOM 673 CD2 LEU A 43 1.737 8.656 5.386 1.00 1.21 C ATOM 0 H LEU A 43 -0.999 6.674 3.080 1.00 24.11 H new ATOM 0 HA LEU A 43 0.166 9.302 3.449 1.00 61.01 H new ATOM 0 HB2 LEU A 43 1.286 6.598 2.642 1.00 0.24 H new ATOM 0 HB3 LEU A 43 2.271 8.047 2.682 1.00 0.24 H new ATOM 0 HG LEU A 43 0.869 6.739 5.033 1.00 74.10 H new ATOM 0 HD11 LEU A 43 3.171 6.397 5.867 1.00 41.03 H new ATOM 0 HD12 LEU A 43 2.905 5.588 4.304 1.00 41.03 H new ATOM 0 HD13 LEU A 43 3.812 7.117 4.371 1.00 41.03 H new ATOM 0 HD21 LEU A 43 1.940 8.461 6.439 1.00 1.21 H new ATOM 0 HD22 LEU A 43 2.527 9.284 4.974 1.00 1.21 H new ATOM 0 HD23 LEU A 43 0.780 9.168 5.290 1.00 1.21 H new ATOM 685 N PRO A 44 0.630 10.110 1.069 1.00 1.22 N ATOM 686 CA PRO A 44 0.786 10.601 -0.310 1.00 63.52 C ATOM 687 C PRO A 44 1.941 9.902 -1.044 1.00 64.52 C ATOM 688 O PRO A 44 2.861 9.381 -0.410 1.00 54.03 O ATOM 689 CB PRO A 44 1.082 12.096 -0.126 1.00 52.13 C ATOM 690 CG PRO A 44 1.666 12.200 1.244 1.00 12.22 C ATOM 691 CD PRO A 44 0.982 11.139 2.068 1.00 21.02 C ATOM 0 HA PRO A 44 -0.096 10.406 -0.919 1.00 63.52 H new ATOM 0 HB2 PRO A 44 1.779 12.458 -0.882 1.00 52.13 H new ATOM 0 HB3 PRO A 44 0.175 12.694 -0.216 1.00 52.13 H new ATOM 0 HG2 PRO A 44 2.744 12.042 1.222 1.00 12.22 H new ATOM 0 HG3 PRO A 44 1.498 13.191 1.666 1.00 12.22 H new ATOM 0 HD2 PRO A 44 1.641 10.742 2.840 1.00 21.02 H new ATOM 0 HD3 PRO A 44 0.098 11.529 2.573 1.00 21.02 H new ATOM 699 N VAL A 45 1.894 9.903 -2.377 1.00 40.34 N ATOM 700 CA VAL A 45 2.918 9.239 -3.199 1.00 12.21 C ATOM 701 C VAL A 45 4.347 9.624 -2.769 1.00 22.22 C ATOM 702 O VAL A 45 5.276 8.816 -2.848 1.00 44.22 O ATOM 703 CB VAL A 45 2.720 9.564 -4.702 1.00 22.41 C ATOM 704 CG1 VAL A 45 2.824 11.066 -4.956 1.00 51.32 C ATOM 705 CG2 VAL A 45 3.715 8.793 -5.568 1.00 14.22 C ATOM 0 H VAL A 45 1.157 10.357 -2.916 1.00 40.34 H new ATOM 0 HA VAL A 45 2.796 8.167 -3.044 1.00 12.21 H new ATOM 0 HB VAL A 45 1.716 9.245 -4.982 1.00 22.41 H new ATOM 0 HG11 VAL A 45 2.681 11.266 -6.018 1.00 51.32 H new ATOM 0 HG12 VAL A 45 2.057 11.586 -4.382 1.00 51.32 H new ATOM 0 HG13 VAL A 45 3.808 11.420 -4.649 1.00 51.32 H new ATOM 0 HG21 VAL A 45 3.553 9.041 -6.617 1.00 14.22 H new ATOM 0 HG22 VAL A 45 4.732 9.065 -5.284 1.00 14.22 H new ATOM 0 HG23 VAL A 45 3.572 7.722 -5.422 1.00 14.22 H new ATOM 715 N ASP A 46 4.505 10.858 -2.294 1.00 23.11 N ATOM 716 CA ASP A 46 5.794 11.358 -1.816 1.00 72.31 C ATOM 717 C ASP A 46 6.356 10.492 -0.672 1.00 63.20 C ATOM 718 O ASP A 46 7.475 9.976 -0.762 1.00 45.04 O ATOM 719 CB ASP A 46 5.636 12.810 -1.359 1.00 3.12 C ATOM 720 CG ASP A 46 5.008 13.675 -2.437 1.00 42.13 C ATOM 721 OD1 ASP A 46 5.751 14.229 -3.272 1.00 33.44 O ATOM 722 OD2 ASP A 46 3.763 13.788 -2.470 1.00 12.02 O ATOM 0 H ASP A 46 3.747 11.537 -2.229 1.00 23.11 H new ATOM 0 HA ASP A 46 6.507 11.306 -2.638 1.00 72.31 H new ATOM 0 HB2 ASP A 46 5.019 12.843 -0.461 1.00 3.12 H new ATOM 0 HB3 ASP A 46 6.612 13.215 -1.091 1.00 3.12 H new ATOM 727 N ASP A 47 5.568 10.332 0.393 1.00 61.32 N ATOM 728 CA ASP A 47 5.952 9.485 1.531 1.00 73.32 C ATOM 729 C ASP A 47 5.877 7.995 1.168 1.00 31.12 C ATOM 730 O ASP A 47 6.626 7.180 1.704 1.00 44.51 O ATOM 731 CB ASP A 47 5.052 9.774 2.733 1.00 4.22 C ATOM 732 CG ASP A 47 5.273 11.164 3.293 1.00 13.31 C ATOM 733 OD1 ASP A 47 6.153 11.324 4.166 1.00 34.02 O ATOM 734 OD2 ASP A 47 4.578 12.105 2.866 1.00 12.10 O ATOM 0 H ASP A 47 4.656 10.778 0.494 1.00 61.32 H new ATOM 0 HA ASP A 47 6.984 9.721 1.789 1.00 73.32 H new ATOM 0 HB2 ASP A 47 4.008 9.665 2.438 1.00 4.22 H new ATOM 0 HB3 ASP A 47 5.242 9.036 3.512 1.00 4.22 H new ATOM 739 N PHE A 48 4.968 7.652 0.257 1.00 34.43 N ATOM 740 CA PHE A 48 4.807 6.269 -0.215 1.00 13.12 C ATOM 741 C PHE A 48 6.142 5.685 -0.711 1.00 35.30 C ATOM 742 O PHE A 48 6.499 4.551 -0.382 1.00 34.33 O ATOM 743 CB PHE A 48 3.757 6.228 -1.335 1.00 32.44 C ATOM 744 CG PHE A 48 3.536 4.863 -1.931 1.00 31.34 C ATOM 745 CD1 PHE A 48 2.833 3.897 -1.233 1.00 71.43 C ATOM 746 CD2 PHE A 48 4.026 4.550 -3.193 1.00 62.21 C ATOM 747 CE1 PHE A 48 2.623 2.647 -1.778 1.00 52.01 C ATOM 748 CE2 PHE A 48 3.817 3.300 -3.742 1.00 15.45 C ATOM 749 CZ PHE A 48 3.114 2.347 -3.033 1.00 4.53 C ATOM 0 H PHE A 48 4.325 8.316 -0.175 1.00 34.43 H new ATOM 0 HA PHE A 48 4.471 5.657 0.622 1.00 13.12 H new ATOM 0 HB2 PHE A 48 2.810 6.597 -0.942 1.00 32.44 H new ATOM 0 HB3 PHE A 48 4.062 6.912 -2.127 1.00 32.44 H new ATOM 0 HD1 PHE A 48 2.445 4.124 -0.251 1.00 71.43 H new ATOM 0 HD2 PHE A 48 4.577 5.293 -3.751 1.00 62.21 H new ATOM 0 HE1 PHE A 48 2.074 1.902 -1.222 1.00 52.01 H new ATOM 0 HE2 PHE A 48 4.203 3.069 -4.724 1.00 15.45 H new ATOM 0 HZ PHE A 48 2.948 1.369 -3.459 1.00 4.53 H new ATOM 759 N ASN A 49 6.871 6.471 -1.500 1.00 65.01 N ATOM 760 CA ASN A 49 8.192 6.070 -1.995 1.00 20.51 C ATOM 761 C ASN A 49 9.162 5.770 -0.835 1.00 11.13 C ATOM 762 O ASN A 49 9.927 4.804 -0.883 1.00 33.15 O ATOM 763 CB ASN A 49 8.765 7.172 -2.893 1.00 54.22 C ATOM 764 CG ASN A 49 7.952 7.373 -4.161 1.00 60.02 C ATOM 765 OD1 ASN A 49 7.358 6.439 -4.694 1.00 71.23 O ATOM 766 ND2 ASN A 49 7.917 8.593 -4.655 1.00 14.15 N ATOM 0 H ASN A 49 6.570 7.394 -1.813 1.00 65.01 H new ATOM 0 HA ASN A 49 8.074 5.154 -2.574 1.00 20.51 H new ATOM 0 HB2 ASN A 49 8.800 8.108 -2.336 1.00 54.22 H new ATOM 0 HB3 ASN A 49 9.792 6.921 -3.160 1.00 54.22 H new ATOM 0 HD21 ASN A 49 7.386 8.784 -5.504 1.00 14.15 H new ATOM 0 HD22 ASN A 49 8.421 9.347 -4.188 1.00 14.15 H new ATOM 773 N GLU A 50 9.116 6.597 0.210 1.00 30.52 N ATOM 774 CA GLU A 50 9.956 6.397 1.400 1.00 12.52 C ATOM 775 C GLU A 50 9.527 5.143 2.179 1.00 24.12 C ATOM 776 O GLU A 50 10.364 4.385 2.668 1.00 5.32 O ATOM 777 CB GLU A 50 9.883 7.629 2.311 1.00 22.24 C ATOM 778 CG GLU A 50 10.500 8.883 1.703 1.00 72.11 C ATOM 779 CD GLU A 50 10.318 10.113 2.579 1.00 20.53 C ATOM 780 OE1 GLU A 50 10.889 10.155 3.690 1.00 25.30 O ATOM 781 OE2 GLU A 50 9.606 11.047 2.163 1.00 53.12 O ATOM 0 H GLU A 50 8.507 7.413 0.260 1.00 30.52 H new ATOM 0 HA GLU A 50 10.984 6.256 1.067 1.00 12.52 H new ATOM 0 HB2 GLU A 50 8.839 7.830 2.552 1.00 22.24 H new ATOM 0 HB3 GLU A 50 10.389 7.405 3.250 1.00 22.24 H new ATOM 0 HG2 GLU A 50 11.564 8.715 1.537 1.00 72.11 H new ATOM 0 HG3 GLU A 50 10.050 9.067 0.727 1.00 72.11 H new ATOM 788 N LEU A 51 8.216 4.932 2.281 1.00 42.34 N ATOM 789 CA LEU A 51 7.659 3.754 2.960 1.00 42.42 C ATOM 790 C LEU A 51 8.222 2.452 2.364 1.00 44.14 C ATOM 791 O LEU A 51 8.651 1.551 3.091 1.00 51.55 O ATOM 792 CB LEU A 51 6.126 3.768 2.846 1.00 32.42 C ATOM 793 CG LEU A 51 5.387 2.649 3.605 1.00 2.21 C ATOM 794 CD1 LEU A 51 5.642 2.751 5.108 1.00 14.21 C ATOM 795 CD2 LEU A 51 3.886 2.689 3.306 1.00 13.11 C ATOM 0 H LEU A 51 7.512 5.564 1.900 1.00 42.34 H new ATOM 0 HA LEU A 51 7.946 3.794 4.011 1.00 42.42 H new ATOM 0 HB2 LEU A 51 5.762 4.729 3.209 1.00 32.42 H new ATOM 0 HB3 LEU A 51 5.858 3.704 1.791 1.00 32.42 H new ATOM 0 HG LEU A 51 5.777 1.692 3.259 1.00 2.21 H new ATOM 0 HD11 LEU A 51 5.110 1.951 5.622 1.00 14.21 H new ATOM 0 HD12 LEU A 51 6.711 2.660 5.303 1.00 14.21 H new ATOM 0 HD13 LEU A 51 5.287 3.715 5.473 1.00 14.21 H new ATOM 0 HD21 LEU A 51 3.385 1.890 3.852 1.00 13.11 H new ATOM 0 HD22 LEU A 51 3.479 3.651 3.616 1.00 13.11 H new ATOM 0 HD23 LEU A 51 3.724 2.554 2.237 1.00 13.11 H new ATOM 807 N LEU A 52 8.226 2.373 1.032 1.00 25.11 N ATOM 808 CA LEU A 52 8.787 1.218 0.316 1.00 0.23 C ATOM 809 C LEU A 52 10.287 1.036 0.599 1.00 0.04 C ATOM 810 O LEU A 52 10.800 -0.083 0.582 1.00 44.32 O ATOM 811 CB LEU A 52 8.570 1.379 -1.197 1.00 25.51 C ATOM 812 CG LEU A 52 7.104 1.410 -1.656 1.00 44.41 C ATOM 813 CD1 LEU A 52 7.011 1.641 -3.162 1.00 64.54 C ATOM 814 CD2 LEU A 52 6.389 0.119 -1.263 1.00 53.53 C ATOM 0 H LEU A 52 7.846 3.097 0.422 1.00 25.11 H new ATOM 0 HA LEU A 52 8.266 0.331 0.676 1.00 0.23 H new ATOM 0 HB2 LEU A 52 9.053 2.301 -1.519 1.00 25.51 H new ATOM 0 HB3 LEU A 52 9.075 0.559 -1.708 1.00 25.51 H new ATOM 0 HG LEU A 52 6.609 2.242 -1.155 1.00 44.41 H new ATOM 0 HD11 LEU A 52 5.964 1.659 -3.463 1.00 64.54 H new ATOM 0 HD12 LEU A 52 7.477 2.594 -3.413 1.00 64.54 H new ATOM 0 HD13 LEU A 52 7.526 0.836 -3.686 1.00 64.54 H new ATOM 0 HD21 LEU A 52 5.352 0.161 -1.597 1.00 53.53 H new ATOM 0 HD22 LEU A 52 6.887 -0.730 -1.731 1.00 53.53 H new ATOM 0 HD23 LEU A 52 6.417 0.003 -0.180 1.00 53.53 H new ATOM 826 N ALA A 53 10.986 2.142 0.842 1.00 64.13 N ATOM 827 CA ALA A 53 12.432 2.113 1.106 1.00 23.23 C ATOM 828 C ALA A 53 12.752 1.747 2.564 1.00 32.43 C ATOM 829 O ALA A 53 13.866 1.316 2.875 1.00 11.42 O ATOM 830 CB ALA A 53 13.054 3.462 0.753 1.00 72.34 C ATOM 0 H ALA A 53 10.577 3.076 0.863 1.00 64.13 H new ATOM 0 HA ALA A 53 12.863 1.334 0.476 1.00 23.23 H new ATOM 0 HB1 ALA A 53 14.125 3.432 0.952 1.00 72.34 H new ATOM 0 HB2 ALA A 53 12.887 3.675 -0.303 1.00 72.34 H new ATOM 0 HB3 ALA A 53 12.595 4.244 1.358 1.00 72.34 H new ATOM 836 N ARG A 54 11.780 1.925 3.457 1.00 53.22 N ATOM 837 CA ARG A 54 11.982 1.661 4.891 1.00 54.12 C ATOM 838 C ARG A 54 11.787 0.174 5.247 1.00 51.11 C ATOM 839 O ARG A 54 12.521 -0.377 6.068 1.00 63.03 O ATOM 840 CB ARG A 54 11.032 2.527 5.728 1.00 11.11 C ATOM 841 CG ARG A 54 11.326 4.024 5.641 1.00 45.30 C ATOM 842 CD ARG A 54 10.332 4.851 6.453 1.00 50.50 C ATOM 843 NE ARG A 54 10.356 4.513 7.876 1.00 24.14 N ATOM 844 CZ ARG A 54 10.143 5.370 8.838 1.00 13.14 C ATOM 845 NH1 ARG A 54 9.937 6.623 8.575 1.00 25.40 N ATOM 846 NH2 ARG A 54 10.149 4.963 10.066 1.00 34.53 N ATOM 0 H ARG A 54 10.843 2.251 3.219 1.00 53.22 H new ATOM 0 HA ARG A 54 13.015 1.919 5.122 1.00 54.12 H new ATOM 0 HB2 ARG A 54 10.008 2.347 5.401 1.00 11.11 H new ATOM 0 HB3 ARG A 54 11.093 2.214 6.770 1.00 11.11 H new ATOM 0 HG2 ARG A 54 12.337 4.216 6.001 1.00 45.30 H new ATOM 0 HG3 ARG A 54 11.294 4.340 4.598 1.00 45.30 H new ATOM 0 HD2 ARG A 54 10.559 5.910 6.330 1.00 50.50 H new ATOM 0 HD3 ARG A 54 9.327 4.693 6.062 1.00 50.50 H new ATOM 0 HE ARG A 54 10.552 3.546 8.133 1.00 24.14 H new ATOM 0 HH11 ARG A 54 9.940 6.948 7.608 1.00 25.40 H new ATOM 0 HH12 ARG A 54 9.772 7.283 9.335 1.00 25.40 H new ATOM 0 HH21 ARG A 54 10.319 3.980 10.277 1.00 34.53 H new ATOM 0 HH22 ARG A 54 9.984 5.626 10.824 1.00 34.53 H new ATOM 860 N TYR A 55 10.791 -0.470 4.645 1.00 5.42 N ATOM 861 CA TYR A 55 10.488 -1.877 4.952 1.00 20.43 C ATOM 862 C TYR A 55 11.149 -2.848 3.958 1.00 70.34 C ATOM 863 O TYR A 55 11.059 -2.667 2.741 1.00 14.35 O ATOM 864 CB TYR A 55 8.969 -2.098 4.984 1.00 22.40 C ATOM 865 CG TYR A 55 8.304 -1.485 6.202 1.00 21.11 C ATOM 866 CD1 TYR A 55 7.882 -0.158 6.203 1.00 74.04 C ATOM 867 CD2 TYR A 55 8.109 -2.234 7.359 1.00 33.04 C ATOM 868 CE1 TYR A 55 7.284 0.399 7.317 1.00 24.13 C ATOM 869 CE2 TYR A 55 7.513 -1.683 8.474 1.00 35.43 C ATOM 870 CZ TYR A 55 7.102 -0.369 8.450 1.00 71.44 C ATOM 871 OH TYR A 55 6.509 0.180 9.562 1.00 64.12 O ATOM 0 H TYR A 55 10.180 -0.049 3.945 1.00 5.42 H new ATOM 0 HA TYR A 55 10.906 -2.091 5.936 1.00 20.43 H new ATOM 0 HB2 TYR A 55 8.527 -1.672 4.083 1.00 22.40 H new ATOM 0 HB3 TYR A 55 8.763 -3.168 4.965 1.00 22.40 H new ATOM 0 HD1 TYR A 55 8.024 0.446 5.319 1.00 74.04 H new ATOM 0 HD2 TYR A 55 8.430 -3.265 7.384 1.00 33.04 H new ATOM 0 HE1 TYR A 55 6.961 1.429 7.302 1.00 24.13 H new ATOM 0 HE2 TYR A 55 7.369 -2.280 9.363 1.00 35.43 H new ATOM 0 HH TYR A 55 6.456 -0.495 10.271 1.00 64.12 H new ATOM 881 N PRO A 56 11.826 -3.901 4.471 1.00 41.52 N ATOM 882 CA PRO A 56 12.484 -4.911 3.625 1.00 71.30 C ATOM 883 C PRO A 56 11.480 -5.731 2.795 1.00 12.12 C ATOM 884 O PRO A 56 10.973 -6.762 3.245 1.00 24.44 O ATOM 885 CB PRO A 56 13.226 -5.813 4.631 1.00 53.23 C ATOM 886 CG PRO A 56 13.247 -5.047 5.915 1.00 12.34 C ATOM 887 CD PRO A 56 12.011 -4.191 5.905 1.00 21.41 C ATOM 0 HA PRO A 56 13.144 -4.450 2.890 1.00 71.30 H new ATOM 0 HB2 PRO A 56 12.715 -6.768 4.752 1.00 53.23 H new ATOM 0 HB3 PRO A 56 14.237 -6.033 4.289 1.00 53.23 H new ATOM 0 HG2 PRO A 56 13.248 -5.721 6.772 1.00 12.34 H new ATOM 0 HG3 PRO A 56 14.146 -4.435 5.990 1.00 12.34 H new ATOM 0 HD2 PRO A 56 11.153 -4.715 6.326 1.00 21.41 H new ATOM 0 HD3 PRO A 56 12.145 -3.280 6.488 1.00 21.41 H new ATOM 895 N LEU A 57 11.179 -5.254 1.591 1.00 52.23 N ATOM 896 CA LEU A 57 10.221 -5.923 0.704 1.00 61.34 C ATOM 897 C LEU A 57 10.900 -6.471 -0.563 1.00 53.32 C ATOM 898 O LEU A 57 11.891 -5.914 -1.047 1.00 53.33 O ATOM 899 CB LEU A 57 9.108 -4.944 0.297 1.00 13.23 C ATOM 900 CG LEU A 57 8.295 -4.333 1.450 1.00 11.35 C ATOM 901 CD1 LEU A 57 7.291 -3.313 0.915 1.00 63.32 C ATOM 902 CD2 LEU A 57 7.585 -5.423 2.254 1.00 31.42 C ATOM 0 H LEU A 57 11.585 -4.403 1.202 1.00 52.23 H new ATOM 0 HA LEU A 57 9.799 -6.763 1.256 1.00 61.34 H new ATOM 0 HB2 LEU A 57 9.557 -4.132 -0.275 1.00 13.23 H new ATOM 0 HB3 LEU A 57 8.421 -5.463 -0.371 1.00 13.23 H new ATOM 0 HG LEU A 57 8.985 -3.818 2.119 1.00 11.35 H new ATOM 0 HD11 LEU A 57 6.724 -2.891 1.745 1.00 63.32 H new ATOM 0 HD12 LEU A 57 7.824 -2.516 0.396 1.00 63.32 H new ATOM 0 HD13 LEU A 57 6.608 -3.804 0.222 1.00 63.32 H new ATOM 0 HD21 LEU A 57 7.017 -4.966 3.064 1.00 31.42 H new ATOM 0 HD22 LEU A 57 6.908 -5.974 1.601 1.00 31.42 H new ATOM 0 HD23 LEU A 57 8.324 -6.107 2.671 1.00 31.42 H new ATOM 914 N THR A 58 10.369 -7.571 -1.089 1.00 12.40 N ATOM 915 CA THR A 58 10.797 -8.094 -2.394 1.00 11.31 C ATOM 916 C THR A 58 10.037 -7.390 -3.521 1.00 22.14 C ATOM 917 O THR A 58 8.964 -6.828 -3.290 1.00 64.04 O ATOM 918 CB THR A 58 10.547 -9.615 -2.518 1.00 11.22 C ATOM 919 OG1 THR A 58 9.135 -9.883 -2.528 1.00 64.20 O ATOM 920 CG2 THR A 58 11.206 -10.373 -1.369 1.00 23.25 C ATOM 0 H THR A 58 9.640 -8.122 -0.635 1.00 12.40 H new ATOM 0 HA THR A 58 11.867 -7.905 -2.475 1.00 11.31 H new ATOM 0 HB THR A 58 10.988 -9.956 -3.455 1.00 11.22 H new ATOM 0 HG1 THR A 58 8.986 -10.848 -2.609 1.00 64.20 H new ATOM 0 HG21 THR A 58 11.015 -11.440 -1.480 1.00 23.25 H new ATOM 0 HG22 THR A 58 12.281 -10.193 -1.384 1.00 23.25 H new ATOM 0 HG23 THR A 58 10.793 -10.027 -0.421 1.00 23.25 H new ATOM 928 N GLU A 59 10.575 -7.433 -4.740 1.00 33.41 N ATOM 929 CA GLU A 59 9.927 -6.790 -5.897 1.00 1.43 C ATOM 930 C GLU A 59 8.440 -7.181 -6.009 1.00 11.22 C ATOM 931 O GLU A 59 7.591 -6.356 -6.356 1.00 42.40 O ATOM 932 CB GLU A 59 10.663 -7.160 -7.192 1.00 3.43 C ATOM 933 CG GLU A 59 12.107 -6.666 -7.245 1.00 71.42 C ATOM 934 CD GLU A 59 12.818 -7.070 -8.526 1.00 34.00 C ATOM 935 OE1 GLU A 59 12.672 -6.361 -9.544 1.00 52.33 O ATOM 936 OE2 GLU A 59 13.511 -8.106 -8.526 1.00 50.15 O ATOM 0 H GLU A 59 11.454 -7.903 -4.958 1.00 33.41 H new ATOM 0 HA GLU A 59 9.980 -5.712 -5.745 1.00 1.43 H new ATOM 0 HB2 GLU A 59 10.656 -8.244 -7.306 1.00 3.43 H new ATOM 0 HB3 GLU A 59 10.117 -6.747 -8.040 1.00 3.43 H new ATOM 0 HG2 GLU A 59 12.119 -5.580 -7.155 1.00 71.42 H new ATOM 0 HG3 GLU A 59 12.654 -7.063 -6.390 1.00 71.42 H new ATOM 943 N SER A 60 8.137 -8.444 -5.698 1.00 43.20 N ATOM 944 CA SER A 60 6.754 -8.941 -5.706 1.00 3.11 C ATOM 945 C SER A 60 5.891 -8.219 -4.661 1.00 1.53 C ATOM 946 O SER A 60 4.718 -7.929 -4.899 1.00 4.24 O ATOM 947 CB SER A 60 6.725 -10.454 -5.435 1.00 41.22 C ATOM 948 OG SER A 60 7.523 -11.171 -6.369 1.00 62.34 O ATOM 0 H SER A 60 8.831 -9.144 -5.437 1.00 43.20 H new ATOM 0 HA SER A 60 6.341 -8.739 -6.694 1.00 3.11 H new ATOM 0 HB2 SER A 60 7.083 -10.650 -4.424 1.00 41.22 H new ATOM 0 HB3 SER A 60 5.697 -10.813 -5.484 1.00 41.22 H new ATOM 0 HG SER A 60 7.483 -12.129 -6.166 1.00 62.34 H new ATOM 954 N GLN A 61 6.482 -7.919 -3.504 1.00 40.30 N ATOM 955 CA GLN A 61 5.762 -7.240 -2.418 1.00 74.42 C ATOM 956 C GLN A 61 5.507 -5.757 -2.745 1.00 30.02 C ATOM 957 O GLN A 61 4.403 -5.256 -2.529 1.00 30.33 O ATOM 958 CB GLN A 61 6.528 -7.369 -1.093 1.00 14.43 C ATOM 959 CG GLN A 61 6.728 -8.810 -0.633 1.00 71.22 C ATOM 960 CD GLN A 61 7.417 -8.908 0.719 1.00 24.33 C ATOM 961 OE1 GLN A 61 8.640 -8.933 0.804 1.00 71.33 O ATOM 962 NE2 GLN A 61 6.642 -8.980 1.783 1.00 71.53 N ATOM 0 H GLN A 61 7.456 -8.134 -3.292 1.00 40.30 H new ATOM 0 HA GLN A 61 4.794 -7.730 -2.314 1.00 74.42 H new ATOM 0 HB2 GLN A 61 7.503 -6.893 -1.200 1.00 14.43 H new ATOM 0 HB3 GLN A 61 5.990 -6.822 -0.319 1.00 14.43 H new ATOM 0 HG2 GLN A 61 5.759 -9.307 -0.579 1.00 71.22 H new ATOM 0 HG3 GLN A 61 7.319 -9.345 -1.376 1.00 71.22 H new ATOM 0 HE21 GLN A 61 5.628 -8.957 1.678 1.00 71.53 H new ATOM 0 HE22 GLN A 61 7.057 -9.059 2.712 1.00 71.53 H new ATOM 971 N LEU A 62 6.525 -5.053 -3.267 1.00 24.20 N ATOM 972 CA LEU A 62 6.350 -3.647 -3.678 1.00 21.42 C ATOM 973 C LEU A 62 5.193 -3.505 -4.679 1.00 14.01 C ATOM 974 O LEU A 62 4.385 -2.579 -4.578 1.00 51.21 O ATOM 975 CB LEU A 62 7.630 -3.054 -4.305 1.00 44.12 C ATOM 976 CG LEU A 62 8.777 -2.715 -3.331 1.00 21.54 C ATOM 977 CD1 LEU A 62 9.550 -3.962 -2.928 1.00 15.12 C ATOM 978 CD2 LEU A 62 9.714 -1.675 -3.945 1.00 43.21 C ATOM 0 H LEU A 62 7.463 -5.425 -3.413 1.00 24.20 H new ATOM 0 HA LEU A 62 6.123 -3.091 -2.769 1.00 21.42 H new ATOM 0 HB2 LEU A 62 8.007 -3.761 -5.044 1.00 44.12 H new ATOM 0 HB3 LEU A 62 7.358 -2.145 -4.842 1.00 44.12 H new ATOM 0 HG LEU A 62 8.334 -2.293 -2.429 1.00 21.54 H new ATOM 0 HD11 LEU A 62 10.351 -3.688 -2.241 1.00 15.12 H new ATOM 0 HD12 LEU A 62 8.877 -4.665 -2.438 1.00 15.12 H new ATOM 0 HD13 LEU A 62 9.977 -4.428 -3.816 1.00 15.12 H new ATOM 0 HD21 LEU A 62 10.517 -1.449 -3.243 1.00 43.21 H new ATOM 0 HD22 LEU A 62 10.140 -2.069 -4.868 1.00 43.21 H new ATOM 0 HD23 LEU A 62 9.155 -0.765 -4.162 1.00 43.21 H new ATOM 990 N ALA A 63 5.123 -4.426 -5.640 1.00 5.33 N ATOM 991 CA ALA A 63 4.040 -4.443 -6.628 1.00 12.51 C ATOM 992 C ALA A 63 2.657 -4.417 -5.953 1.00 50.34 C ATOM 993 O ALA A 63 1.792 -3.615 -6.313 1.00 52.44 O ATOM 994 CB ALA A 63 4.173 -5.665 -7.530 1.00 51.24 C ATOM 0 H ALA A 63 5.806 -5.174 -5.757 1.00 5.33 H new ATOM 0 HA ALA A 63 4.125 -3.542 -7.235 1.00 12.51 H new ATOM 0 HB1 ALA A 63 3.364 -5.668 -8.260 1.00 51.24 H new ATOM 0 HB2 ALA A 63 5.131 -5.631 -8.050 1.00 51.24 H new ATOM 0 HB3 ALA A 63 4.120 -6.571 -6.926 1.00 51.24 H new ATOM 1000 N LEU A 64 2.469 -5.288 -4.958 1.00 74.42 N ATOM 1001 CA LEU A 64 1.212 -5.343 -4.205 1.00 43.22 C ATOM 1002 C LEU A 64 0.933 -4.021 -3.476 1.00 73.25 C ATOM 1003 O LEU A 64 -0.158 -3.467 -3.580 1.00 42.32 O ATOM 1004 CB LEU A 64 1.229 -6.494 -3.188 1.00 64.13 C ATOM 1005 CG LEU A 64 -0.028 -6.584 -2.306 1.00 42.33 C ATOM 1006 CD1 LEU A 64 -1.267 -6.863 -3.154 1.00 2.41 C ATOM 1007 CD2 LEU A 64 0.141 -7.641 -1.221 1.00 63.24 C ATOM 0 H LEU A 64 3.170 -5.964 -4.655 1.00 74.42 H new ATOM 0 HA LEU A 64 0.415 -5.516 -4.928 1.00 43.22 H new ATOM 0 HB2 LEU A 64 1.349 -7.435 -3.725 1.00 64.13 H new ATOM 0 HB3 LEU A 64 2.102 -6.381 -2.545 1.00 64.13 H new ATOM 0 HG LEU A 64 -0.166 -5.621 -1.815 1.00 42.33 H new ATOM 0 HD11 LEU A 64 -2.144 -6.922 -2.509 1.00 2.41 H new ATOM 0 HD12 LEU A 64 -1.402 -6.058 -3.877 1.00 2.41 H new ATOM 0 HD13 LEU A 64 -1.141 -7.808 -3.683 1.00 2.41 H new ATOM 0 HD21 LEU A 64 -0.762 -7.684 -0.612 1.00 63.24 H new ATOM 0 HD22 LEU A 64 0.314 -8.613 -1.684 1.00 63.24 H new ATOM 0 HD23 LEU A 64 0.992 -7.383 -0.591 1.00 63.24 H new ATOM 1019 N VAL A 65 1.926 -3.521 -2.744 1.00 11.44 N ATOM 1020 CA VAL A 65 1.783 -2.259 -2.005 1.00 62.03 C ATOM 1021 C VAL A 65 1.364 -1.108 -2.941 1.00 11.44 C ATOM 1022 O VAL A 65 0.518 -0.280 -2.597 1.00 13.42 O ATOM 1023 CB VAL A 65 3.102 -1.887 -1.281 1.00 51.00 C ATOM 1024 CG1 VAL A 65 2.947 -0.601 -0.474 1.00 34.43 C ATOM 1025 CG2 VAL A 65 3.570 -3.031 -0.386 1.00 11.51 C ATOM 0 H VAL A 65 2.838 -3.966 -2.644 1.00 11.44 H new ATOM 0 HA VAL A 65 1.000 -2.407 -1.261 1.00 62.03 H new ATOM 0 HB VAL A 65 3.862 -1.714 -2.043 1.00 51.00 H new ATOM 0 HG11 VAL A 65 3.889 -0.367 0.022 1.00 34.43 H new ATOM 0 HG12 VAL A 65 2.675 0.217 -1.141 1.00 34.43 H new ATOM 0 HG13 VAL A 65 2.166 -0.733 0.275 1.00 34.43 H new ATOM 0 HG21 VAL A 65 4.497 -2.747 0.112 1.00 11.51 H new ATOM 0 HG22 VAL A 65 2.806 -3.243 0.362 1.00 11.51 H new ATOM 0 HG23 VAL A 65 3.741 -3.921 -0.992 1.00 11.51 H new ATOM 1035 N ARG A 66 1.955 -1.079 -4.132 1.00 4.23 N ATOM 1036 CA ARG A 66 1.588 -0.102 -5.164 1.00 73.42 C ATOM 1037 C ARG A 66 0.118 -0.262 -5.589 1.00 23.24 C ATOM 1038 O ARG A 66 -0.622 0.723 -5.693 1.00 2.12 O ATOM 1039 CB ARG A 66 2.513 -0.262 -6.381 1.00 31.11 C ATOM 1040 CG ARG A 66 3.970 0.097 -6.093 1.00 21.12 C ATOM 1041 CD ARG A 66 4.913 -0.392 -7.192 1.00 21.43 C ATOM 1042 NE ARG A 66 4.559 0.129 -8.512 1.00 1.14 N ATOM 1043 CZ ARG A 66 5.313 0.003 -9.574 1.00 52.13 C ATOM 1044 NH1 ARG A 66 6.453 -0.612 -9.512 1.00 21.24 N ATOM 1045 NH2 ARG A 66 4.927 0.500 -10.701 1.00 61.53 N ATOM 0 H ARG A 66 2.695 -1.723 -4.412 1.00 4.23 H new ATOM 0 HA ARG A 66 1.707 0.898 -4.746 1.00 73.42 H new ATOM 0 HB2 ARG A 66 2.464 -1.293 -6.731 1.00 31.11 H new ATOM 0 HB3 ARG A 66 2.146 0.368 -7.191 1.00 31.11 H new ATOM 0 HG2 ARG A 66 4.063 1.178 -5.992 1.00 21.12 H new ATOM 0 HG3 ARG A 66 4.268 -0.339 -5.140 1.00 21.12 H new ATOM 0 HD2 ARG A 66 5.933 -0.093 -6.950 1.00 21.43 H new ATOM 0 HD3 ARG A 66 4.898 -1.482 -7.220 1.00 21.43 H new ATOM 0 HE ARG A 66 3.671 0.620 -8.611 1.00 1.14 H new ATOM 0 HH11 ARG A 66 6.773 -1.005 -8.627 1.00 21.24 H new ATOM 0 HH12 ARG A 66 7.030 -0.702 -10.348 1.00 21.24 H new ATOM 0 HH21 ARG A 66 4.035 0.991 -10.763 1.00 61.53 H new ATOM 0 HH22 ARG A 66 5.514 0.402 -11.529 1.00 61.53 H new ATOM 1059 N ASP A 67 -0.296 -1.507 -5.815 1.00 63.23 N ATOM 1060 CA ASP A 67 -1.672 -1.809 -6.221 1.00 44.44 C ATOM 1061 C ASP A 67 -2.682 -1.411 -5.126 1.00 53.12 C ATOM 1062 O ASP A 67 -3.709 -0.781 -5.413 1.00 4.14 O ATOM 1063 CB ASP A 67 -1.803 -3.304 -6.548 1.00 74.54 C ATOM 1064 CG ASP A 67 -3.119 -3.636 -7.235 1.00 73.44 C ATOM 1065 OD1 ASP A 67 -4.162 -3.668 -6.556 1.00 32.41 O ATOM 1066 OD2 ASP A 67 -3.121 -3.841 -8.464 1.00 62.21 O ATOM 0 H ASP A 67 0.303 -2.328 -5.724 1.00 63.23 H new ATOM 0 HA ASP A 67 -1.900 -1.223 -7.112 1.00 44.44 H new ATOM 0 HB2 ASP A 67 -0.975 -3.606 -7.190 1.00 74.54 H new ATOM 0 HB3 ASP A 67 -1.721 -3.883 -5.628 1.00 74.54 H new ATOM 1071 N ILE A 68 -2.377 -1.777 -3.878 1.00 11.24 N ATOM 1072 CA ILE A 68 -3.232 -1.454 -2.728 1.00 23.34 C ATOM 1073 C ILE A 68 -3.463 0.059 -2.605 1.00 4.22 C ATOM 1074 O ILE A 68 -4.586 0.505 -2.369 1.00 61.03 O ATOM 1075 CB ILE A 68 -2.625 -1.987 -1.402 1.00 1.01 C ATOM 1076 CG1 ILE A 68 -2.553 -3.526 -1.418 1.00 10.43 C ATOM 1077 CG2 ILE A 68 -3.430 -1.498 -0.194 1.00 62.11 C ATOM 1078 CD1 ILE A 68 -1.961 -4.127 -0.155 1.00 41.25 C ATOM 0 H ILE A 68 -1.537 -2.302 -3.635 1.00 11.24 H new ATOM 0 HA ILE A 68 -4.189 -1.945 -2.904 1.00 23.34 H new ATOM 0 HB ILE A 68 -1.612 -1.595 -1.314 1.00 1.01 H new ATOM 0 HG12 ILE A 68 -3.557 -3.926 -1.563 1.00 10.43 H new ATOM 0 HG13 ILE A 68 -1.957 -3.843 -2.274 1.00 10.43 H new ATOM 0 HG21 ILE A 68 -2.984 -1.886 0.722 1.00 62.11 H new ATOM 0 HG22 ILE A 68 -3.422 -0.408 -0.169 1.00 62.11 H new ATOM 0 HG23 ILE A 68 -4.458 -1.852 -0.274 1.00 62.11 H new ATOM 0 HD11 ILE A 68 -1.944 -5.213 -0.242 1.00 41.25 H new ATOM 0 HD12 ILE A 68 -0.945 -3.758 -0.018 1.00 41.25 H new ATOM 0 HD13 ILE A 68 -2.569 -3.842 0.703 1.00 41.25 H new ATOM 1090 N ARG A 69 -2.394 0.842 -2.769 1.00 13.33 N ATOM 1091 CA ARG A 69 -2.500 2.304 -2.748 1.00 65.02 C ATOM 1092 C ARG A 69 -3.533 2.796 -3.773 1.00 13.25 C ATOM 1093 O ARG A 69 -4.432 3.570 -3.444 1.00 35.34 O ATOM 1094 CB ARG A 69 -1.138 2.949 -3.053 1.00 10.53 C ATOM 1095 CG ARG A 69 -1.188 4.473 -3.104 1.00 22.24 C ATOM 1096 CD ARG A 69 0.136 5.077 -3.552 1.00 43.35 C ATOM 1097 NE ARG A 69 0.539 4.604 -4.880 1.00 25.31 N ATOM 1098 CZ ARG A 69 0.883 5.386 -5.868 1.00 12.12 C ATOM 1099 NH1 ARG A 69 0.813 6.674 -5.749 1.00 72.22 N ATOM 1100 NH2 ARG A 69 1.272 4.881 -6.993 1.00 22.32 N ATOM 0 H ARG A 69 -1.448 0.490 -2.917 1.00 13.33 H new ATOM 0 HA ARG A 69 -2.824 2.596 -1.749 1.00 65.02 H new ATOM 0 HB2 ARG A 69 -0.420 2.642 -2.293 1.00 10.53 H new ATOM 0 HB3 ARG A 69 -0.772 2.573 -4.008 1.00 10.53 H new ATOM 0 HG2 ARG A 69 -1.978 4.786 -3.787 1.00 22.24 H new ATOM 0 HG3 ARG A 69 -1.447 4.860 -2.118 1.00 22.24 H new ATOM 0 HD2 ARG A 69 0.052 6.164 -3.565 1.00 43.35 H new ATOM 0 HD3 ARG A 69 0.911 4.826 -2.828 1.00 43.35 H new ATOM 0 HE ARG A 69 0.552 3.597 -5.043 1.00 25.31 H new ATOM 0 HH11 ARG A 69 0.486 7.089 -4.876 1.00 72.22 H new ATOM 0 HH12 ARG A 69 1.085 7.274 -6.528 1.00 72.22 H new ATOM 0 HH21 ARG A 69 1.311 3.869 -7.111 1.00 22.32 H new ATOM 0 HH22 ARG A 69 1.540 5.495 -7.762 1.00 22.32 H new ATOM 1114 N ARG A 70 -3.399 2.329 -5.015 1.00 74.44 N ATOM 1115 CA ARG A 70 -4.288 2.746 -6.103 1.00 4.44 C ATOM 1116 C ARG A 70 -5.750 2.351 -5.828 1.00 13.34 C ATOM 1117 O ARG A 70 -6.649 3.184 -5.930 1.00 65.04 O ATOM 1118 CB ARG A 70 -3.810 2.147 -7.436 1.00 11.31 C ATOM 1119 CG ARG A 70 -4.639 2.554 -8.660 1.00 61.50 C ATOM 1120 CD ARG A 70 -4.624 4.064 -8.913 1.00 11.22 C ATOM 1121 NE ARG A 70 -5.564 4.789 -8.052 1.00 32.11 N ATOM 1122 CZ ARG A 70 -5.548 6.080 -7.859 1.00 32.41 C ATOM 1123 NH1 ARG A 70 -4.642 6.827 -8.404 1.00 41.44 N ATOM 1124 NH2 ARG A 70 -6.457 6.622 -7.119 1.00 2.34 N ATOM 0 H ARG A 70 -2.682 1.660 -5.294 1.00 74.44 H new ATOM 0 HA ARG A 70 -4.250 3.834 -6.166 1.00 4.44 H new ATOM 0 HB2 ARG A 70 -2.775 2.445 -7.601 1.00 11.31 H new ATOM 0 HB3 ARG A 70 -3.820 1.060 -7.354 1.00 11.31 H new ATOM 0 HG2 ARG A 70 -4.255 2.039 -9.541 1.00 61.50 H new ATOM 0 HG3 ARG A 70 -5.669 2.224 -8.522 1.00 61.50 H new ATOM 0 HD2 ARG A 70 -3.617 4.446 -8.748 1.00 11.22 H new ATOM 0 HD3 ARG A 70 -4.871 4.256 -9.957 1.00 11.22 H new ATOM 0 HE ARG A 70 -6.281 4.246 -7.570 1.00 32.11 H new ATOM 0 HH11 ARG A 70 -3.924 6.409 -8.996 1.00 41.44 H new ATOM 0 HH12 ARG A 70 -4.646 7.834 -8.242 1.00 41.44 H new ATOM 0 HH21 ARG A 70 -7.179 6.042 -6.691 1.00 2.34 H new ATOM 0 HH22 ARG A 70 -6.453 7.630 -6.962 1.00 2.34 H new ATOM 1138 N ARG A 71 -5.984 1.085 -5.468 1.00 41.23 N ATOM 1139 CA ARG A 71 -7.344 0.611 -5.166 1.00 51.25 C ATOM 1140 C ARG A 71 -7.946 1.366 -3.971 1.00 64.04 C ATOM 1141 O ARG A 71 -9.042 1.922 -4.058 1.00 61.20 O ATOM 1142 CB ARG A 71 -7.346 -0.896 -4.861 1.00 40.32 C ATOM 1143 CG ARG A 71 -6.992 -1.791 -6.048 1.00 70.04 C ATOM 1144 CD ARG A 71 -7.921 -1.576 -7.246 1.00 73.43 C ATOM 1145 NE ARG A 71 -7.371 -0.623 -8.212 1.00 14.22 N ATOM 1146 CZ ARG A 71 -8.082 0.221 -8.909 1.00 50.04 C ATOM 1147 NH1 ARG A 71 -9.353 0.352 -8.703 1.00 32.05 N ATOM 1148 NH2 ARG A 71 -7.505 0.947 -9.810 1.00 44.22 N ATOM 0 H ARG A 71 -5.259 0.374 -5.378 1.00 41.23 H new ATOM 0 HA ARG A 71 -7.953 0.802 -6.050 1.00 51.25 H new ATOM 0 HB2 ARG A 71 -6.639 -1.090 -4.054 1.00 40.32 H new ATOM 0 HB3 ARG A 71 -8.333 -1.177 -4.494 1.00 40.32 H new ATOM 0 HG2 ARG A 71 -5.963 -1.596 -6.351 1.00 70.04 H new ATOM 0 HG3 ARG A 71 -7.040 -2.835 -5.738 1.00 70.04 H new ATOM 0 HD2 ARG A 71 -8.098 -2.531 -7.741 1.00 73.43 H new ATOM 0 HD3 ARG A 71 -8.887 -1.216 -6.893 1.00 73.43 H new ATOM 0 HE ARG A 71 -6.360 -0.618 -8.350 1.00 14.22 H new ATOM 0 HH11 ARG A 71 -9.814 -0.209 -7.987 1.00 32.05 H new ATOM 0 HH12 ARG A 71 -9.894 1.016 -9.257 1.00 32.05 H new ATOM 0 HH21 ARG A 71 -6.502 0.858 -9.971 1.00 44.22 H new ATOM 0 HH22 ARG A 71 -8.053 1.609 -10.359 1.00 44.22 H new ATOM 1162 N GLY A 72 -7.213 1.383 -2.858 1.00 11.51 N ATOM 1163 CA GLY A 72 -7.686 2.041 -1.645 1.00 70.22 C ATOM 1164 C GLY A 72 -7.953 3.533 -1.829 1.00 32.11 C ATOM 1165 O GLY A 72 -8.938 4.062 -1.310 1.00 72.43 O ATOM 0 H GLY A 72 -6.293 0.950 -2.773 1.00 11.51 H new ATOM 0 HA2 GLY A 72 -8.602 1.554 -1.310 1.00 70.22 H new ATOM 0 HA3 GLY A 72 -6.946 1.906 -0.856 1.00 70.22 H new ATOM 1169 N LYS A 73 -7.077 4.208 -2.575 1.00 74.43 N ATOM 1170 CA LYS A 73 -7.205 5.650 -2.822 1.00 41.34 C ATOM 1171 C LYS A 73 -8.514 5.985 -3.558 1.00 43.24 C ATOM 1172 O LYS A 73 -9.109 7.042 -3.338 1.00 51.42 O ATOM 1173 CB LYS A 73 -6.003 6.155 -3.640 1.00 25.54 C ATOM 1174 CG LYS A 73 -5.910 7.681 -3.773 1.00 61.44 C ATOM 1175 CD LYS A 73 -5.129 8.338 -2.627 1.00 30.24 C ATOM 1176 CE LYS A 73 -5.840 8.231 -1.282 1.00 60.14 C ATOM 1177 NZ LYS A 73 -5.053 8.865 -0.191 1.00 75.12 N ATOM 0 H LYS A 73 -6.267 3.779 -3.022 1.00 74.43 H new ATOM 0 HA LYS A 73 -7.225 6.151 -1.854 1.00 41.34 H new ATOM 0 HB2 LYS A 73 -5.087 5.788 -3.177 1.00 25.54 H new ATOM 0 HB3 LYS A 73 -6.052 5.720 -4.638 1.00 25.54 H new ATOM 0 HG2 LYS A 73 -5.431 7.929 -4.720 1.00 61.44 H new ATOM 0 HG3 LYS A 73 -6.916 8.099 -3.806 1.00 61.44 H new ATOM 0 HD2 LYS A 73 -4.147 7.872 -2.550 1.00 30.24 H new ATOM 0 HD3 LYS A 73 -4.965 9.390 -2.862 1.00 30.24 H new ATOM 0 HE2 LYS A 73 -6.818 8.707 -1.349 1.00 60.14 H new ATOM 0 HE3 LYS A 73 -6.012 7.181 -1.044 1.00 60.14 H new ATOM 0 HZ1 LYS A 73 -5.668 9.499 0.357 1.00 75.12 H new ATOM 0 HZ2 LYS A 73 -4.670 8.128 0.435 1.00 75.12 H new ATOM 0 HZ3 LYS A 73 -4.269 9.412 -0.601 1.00 75.12 H new ATOM 1191 N ASN A 74 -8.965 5.077 -4.424 1.00 24.40 N ATOM 1192 CA ASN A 74 -10.225 5.265 -5.164 1.00 50.25 C ATOM 1193 C ASN A 74 -11.437 5.377 -4.222 1.00 22.31 C ATOM 1194 O ASN A 74 -12.513 5.822 -4.628 1.00 12.13 O ATOM 1195 CB ASN A 74 -10.436 4.125 -6.168 1.00 42.25 C ATOM 1196 CG ASN A 74 -9.470 4.196 -7.339 1.00 13.45 C ATOM 1197 OD1 ASN A 74 -8.359 4.703 -7.219 1.00 21.12 O ATOM 1198 ND2 ASN A 74 -9.890 3.699 -8.484 1.00 74.24 N ATOM 0 H ASN A 74 -8.482 4.204 -4.634 1.00 24.40 H new ATOM 0 HA ASN A 74 -10.143 6.207 -5.706 1.00 50.25 H new ATOM 0 HB2 ASN A 74 -10.315 3.169 -5.658 1.00 42.25 H new ATOM 0 HB3 ASN A 74 -11.459 4.159 -6.542 1.00 42.25 H new ATOM 0 HD21 ASN A 74 -9.286 3.729 -9.305 1.00 74.24 H new ATOM 0 HD22 ASN A 74 -10.820 3.284 -8.550 1.00 74.24 H new ATOM 1205 N LYS A 75 -11.258 4.976 -2.965 1.00 41.43 N ATOM 1206 CA LYS A 75 -12.289 5.154 -1.934 1.00 51.23 C ATOM 1207 C LYS A 75 -12.573 6.649 -1.700 1.00 35.44 C ATOM 1208 O LYS A 75 -13.693 7.045 -1.372 1.00 54.05 O ATOM 1209 CB LYS A 75 -11.837 4.491 -0.624 1.00 3.33 C ATOM 1210 CG LYS A 75 -12.877 4.533 0.493 1.00 14.32 C ATOM 1211 CD LYS A 75 -12.345 3.967 1.816 1.00 14.32 C ATOM 1212 CE LYS A 75 -11.979 2.482 1.728 1.00 41.14 C ATOM 1213 NZ LYS A 75 -10.673 2.246 1.050 1.00 43.13 N ATOM 0 H LYS A 75 -10.407 4.524 -2.631 1.00 41.43 H new ATOM 0 HA LYS A 75 -13.209 4.680 -2.277 1.00 51.23 H new ATOM 0 HB2 LYS A 75 -11.580 3.451 -0.826 1.00 3.33 H new ATOM 0 HB3 LYS A 75 -10.928 4.982 -0.277 1.00 3.33 H new ATOM 0 HG2 LYS A 75 -13.199 5.563 0.646 1.00 14.32 H new ATOM 0 HG3 LYS A 75 -13.756 3.966 0.187 1.00 14.32 H new ATOM 0 HD2 LYS A 75 -11.466 4.535 2.120 1.00 14.32 H new ATOM 0 HD3 LYS A 75 -13.098 4.105 2.592 1.00 14.32 H new ATOM 0 HE2 LYS A 75 -11.942 2.062 2.733 1.00 41.14 H new ATOM 0 HE3 LYS A 75 -12.764 1.951 1.189 1.00 41.14 H new ATOM 0 HZ1 LYS A 75 -10.837 1.787 0.131 1.00 43.13 H new ATOM 0 HZ2 LYS A 75 -10.190 3.155 0.902 1.00 43.13 H new ATOM 0 HZ3 LYS A 75 -10.080 1.631 1.643 1.00 43.13 H new ATOM 1227 N VAL A 76 -11.542 7.473 -1.882 1.00 75.33 N ATOM 1228 CA VAL A 76 -11.658 8.926 -1.725 1.00 31.12 C ATOM 1229 C VAL A 76 -12.242 9.585 -2.990 1.00 23.35 C ATOM 1230 O VAL A 76 -12.849 10.653 -2.923 1.00 63.35 O ATOM 1231 CB VAL A 76 -10.275 9.554 -1.412 1.00 75.33 C ATOM 1232 CG1 VAL A 76 -10.384 11.061 -1.179 1.00 62.12 C ATOM 1233 CG2 VAL A 76 -9.626 8.859 -0.212 1.00 0.23 C ATOM 0 H VAL A 76 -10.607 7.157 -2.141 1.00 75.33 H new ATOM 0 HA VAL A 76 -12.337 9.108 -0.892 1.00 31.12 H new ATOM 0 HB VAL A 76 -9.636 9.404 -2.282 1.00 75.33 H new ATOM 0 HG11 VAL A 76 -9.396 11.468 -0.962 1.00 62.12 H new ATOM 0 HG12 VAL A 76 -10.786 11.539 -2.072 1.00 62.12 H new ATOM 0 HG13 VAL A 76 -11.048 11.252 -0.336 1.00 62.12 H new ATOM 0 HG21 VAL A 76 -8.657 9.314 -0.008 1.00 0.23 H new ATOM 0 HG22 VAL A 76 -10.268 8.967 0.662 1.00 0.23 H new ATOM 0 HG23 VAL A 76 -9.490 7.801 -0.434 1.00 0.23 H new ATOM 1243 N ALA A 77 -12.079 8.923 -4.135 1.00 41.40 N ATOM 1244 CA ALA A 77 -12.528 9.458 -5.431 1.00 21.43 C ATOM 1245 C ALA A 77 -13.978 9.979 -5.393 1.00 72.11 C ATOM 1246 O ALA A 77 -14.279 11.029 -5.960 1.00 14.42 O ATOM 1247 CB ALA A 77 -12.383 8.394 -6.514 1.00 31.24 C ATOM 0 H ALA A 77 -11.636 8.006 -4.196 1.00 41.40 H new ATOM 0 HA ALA A 77 -11.890 10.311 -5.661 1.00 21.43 H new ATOM 0 HB1 ALA A 77 -12.718 8.799 -7.469 1.00 31.24 H new ATOM 0 HB2 ALA A 77 -11.338 8.095 -6.593 1.00 31.24 H new ATOM 0 HB3 ALA A 77 -12.990 7.526 -6.255 1.00 31.24 H new ATOM 1253 N ALA A 78 -14.867 9.247 -4.717 1.00 12.35 N ATOM 1254 CA ALA A 78 -16.275 9.655 -4.602 1.00 4.52 C ATOM 1255 C ALA A 78 -16.422 11.019 -3.906 1.00 22.12 C ATOM 1256 O ALA A 78 -17.169 11.887 -4.362 1.00 22.14 O ATOM 1257 CB ALA A 78 -17.073 8.594 -3.852 1.00 4.30 C ATOM 0 H ALA A 78 -14.642 8.373 -4.242 1.00 12.35 H new ATOM 0 HA ALA A 78 -16.670 9.756 -5.613 1.00 4.52 H new ATOM 0 HB1 ALA A 78 -18.114 8.909 -3.774 1.00 4.30 H new ATOM 0 HB2 ALA A 78 -17.019 7.649 -4.392 1.00 4.30 H new ATOM 0 HB3 ALA A 78 -16.657 8.465 -2.853 1.00 4.30 H new ATOM 1263 N GLN A 79 -15.696 11.206 -2.805 1.00 2.34 N ATOM 1264 CA GLN A 79 -15.770 12.451 -2.024 1.00 12.45 C ATOM 1265 C GLN A 79 -14.839 13.534 -2.598 1.00 22.12 C ATOM 1266 O GLN A 79 -14.928 14.704 -2.225 1.00 32.54 O ATOM 1267 CB GLN A 79 -15.416 12.174 -0.553 1.00 53.12 C ATOM 1268 CG GLN A 79 -13.962 11.765 -0.331 1.00 60.11 C ATOM 1269 CD GLN A 79 -13.665 11.363 1.105 1.00 51.51 C ATOM 1270 OE1 GLN A 79 -12.456 11.617 1.560 1.00 24.42 O flip ATOM 1271 NE2 GLN A 79 -14.518 10.828 1.806 1.00 52.33 N flip ATOM 0 H GLN A 79 -15.048 10.514 -2.429 1.00 2.34 H new ATOM 0 HA GLN A 79 -16.793 12.824 -2.085 1.00 12.45 H new ATOM 0 HB2 GLN A 79 -15.625 13.068 0.035 1.00 53.12 H new ATOM 0 HB3 GLN A 79 -16.066 11.385 -0.176 1.00 53.12 H new ATOM 0 HG2 GLN A 79 -13.721 10.932 -0.992 1.00 60.11 H new ATOM 0 HG3 GLN A 79 -13.311 12.593 -0.611 1.00 60.11 H new ATOM 0 HE21 GLN A 79 -15.447 10.643 1.427 1.00 52.33 H new ATOM 0 HE22 GLN A 79 -14.298 10.568 2.768 1.00 52.33 H new ATOM 1280 N ASN A 80 -13.943 13.135 -3.501 1.00 31.11 N ATOM 1281 CA ASN A 80 -13.003 14.068 -4.143 1.00 11.43 C ATOM 1282 C ASN A 80 -13.442 14.379 -5.590 1.00 14.12 C ATOM 1283 O ASN A 80 -12.747 15.080 -6.328 1.00 54.04 O ATOM 1284 CB ASN A 80 -11.587 13.466 -4.123 1.00 3.54 C ATOM 1285 CG ASN A 80 -10.510 14.461 -4.528 1.00 35.44 C ATOM 1286 OD1 ASN A 80 -10.642 15.660 -4.309 1.00 72.25 O ATOM 1287 ND2 ASN A 80 -9.432 13.971 -5.107 1.00 24.31 N ATOM 0 H ASN A 80 -13.845 12.168 -3.809 1.00 31.11 H new ATOM 0 HA ASN A 80 -13.000 15.006 -3.587 1.00 11.43 H new ATOM 0 HB2 ASN A 80 -11.371 13.094 -3.122 1.00 3.54 H new ATOM 0 HB3 ASN A 80 -11.553 12.609 -4.796 1.00 3.54 H new ATOM 0 HD21 ASN A 80 -8.675 14.595 -5.387 1.00 24.31 H new ATOM 0 HD22 ASN A 80 -9.354 12.968 -5.275 1.00 24.31 H new ATOM 1294 N TYR A 81 -14.618 13.868 -5.966 1.00 25.21 N ATOM 1295 CA TYR A 81 -15.150 14.001 -7.330 1.00 73.10 C ATOM 1296 C TYR A 81 -15.155 15.455 -7.840 1.00 24.53 C ATOM 1297 O TYR A 81 -14.798 15.716 -8.992 1.00 24.45 O ATOM 1298 CB TYR A 81 -16.579 13.428 -7.389 1.00 32.00 C ATOM 1299 CG TYR A 81 -17.272 13.619 -8.730 1.00 11.21 C ATOM 1300 CD1 TYR A 81 -17.052 12.739 -9.786 1.00 72.32 C ATOM 1301 CD2 TYR A 81 -18.140 14.688 -8.939 1.00 5.12 C ATOM 1302 CE1 TYR A 81 -17.676 12.918 -11.006 1.00 71.33 C ATOM 1303 CE2 TYR A 81 -18.767 14.871 -10.156 1.00 23.40 C ATOM 1304 CZ TYR A 81 -18.531 13.985 -11.186 1.00 33.13 C ATOM 1305 OH TYR A 81 -19.152 14.169 -12.402 1.00 73.12 O ATOM 0 H TYR A 81 -15.230 13.350 -5.335 1.00 25.21 H new ATOM 0 HA TYR A 81 -14.484 13.438 -7.984 1.00 73.10 H new ATOM 0 HB2 TYR A 81 -16.541 12.363 -7.161 1.00 32.00 H new ATOM 0 HB3 TYR A 81 -17.180 13.900 -6.612 1.00 32.00 H new ATOM 0 HD1 TYR A 81 -16.383 11.903 -9.650 1.00 72.32 H new ATOM 0 HD2 TYR A 81 -18.326 15.386 -8.136 1.00 5.12 H new ATOM 0 HE1 TYR A 81 -17.495 12.225 -11.815 1.00 71.33 H new ATOM 0 HE2 TYR A 81 -19.439 15.704 -10.300 1.00 23.40 H new ATOM 0 HH TYR A 81 -19.722 14.965 -12.361 1.00 73.12 H new ATOM 1315 N ARG A 82 -15.559 16.394 -6.989 1.00 53.21 N ATOM 1316 CA ARG A 82 -15.746 17.786 -7.416 1.00 31.33 C ATOM 1317 C ARG A 82 -14.416 18.472 -7.773 1.00 41.14 C ATOM 1318 O ARG A 82 -13.771 19.105 -6.932 1.00 70.22 O ATOM 1319 CB ARG A 82 -16.494 18.586 -6.338 1.00 34.23 C ATOM 1320 CG ARG A 82 -17.871 18.020 -5.997 1.00 61.34 C ATOM 1321 CD ARG A 82 -18.818 18.045 -7.195 1.00 61.20 C ATOM 1322 NE ARG A 82 -20.074 17.355 -6.907 1.00 64.44 N ATOM 1323 CZ ARG A 82 -21.102 17.315 -7.708 1.00 43.03 C ATOM 1324 NH1 ARG A 82 -21.089 17.937 -8.844 1.00 54.00 N ATOM 1325 NH2 ARG A 82 -22.150 16.648 -7.364 1.00 50.01 N ATOM 0 H ARG A 82 -15.763 16.223 -6.004 1.00 53.21 H new ATOM 0 HA ARG A 82 -16.349 17.764 -8.324 1.00 31.33 H new ATOM 0 HB2 ARG A 82 -15.888 18.613 -5.432 1.00 34.23 H new ATOM 0 HB3 ARG A 82 -16.608 19.616 -6.676 1.00 34.23 H new ATOM 0 HG2 ARG A 82 -17.763 16.995 -5.643 1.00 61.34 H new ATOM 0 HG3 ARG A 82 -18.306 18.595 -5.180 1.00 61.34 H new ATOM 0 HD2 ARG A 82 -19.026 19.078 -7.473 1.00 61.20 H new ATOM 0 HD3 ARG A 82 -18.334 17.576 -8.051 1.00 61.20 H new ATOM 0 HE ARG A 82 -20.152 16.869 -6.014 1.00 64.44 H new ATOM 0 HH11 ARG A 82 -20.265 18.469 -9.125 1.00 54.00 H new ATOM 0 HH12 ARG A 82 -21.902 17.895 -9.458 1.00 54.00 H new ATOM 0 HH21 ARG A 82 -22.171 16.156 -6.471 1.00 50.01 H new ATOM 0 HH22 ARG A 82 -22.958 16.612 -7.985 1.00 50.01 H new ATOM 1339 N LYS A 83 -13.996 18.302 -9.024 1.00 12.00 N ATOM 1340 CA LYS A 83 -12.844 19.021 -9.576 1.00 24.51 C ATOM 1341 C LYS A 83 -13.316 20.185 -10.458 1.00 11.21 C ATOM 1342 O LYS A 83 -13.925 19.969 -11.508 1.00 52.10 O ATOM 1343 CB LYS A 83 -11.957 18.071 -10.397 1.00 24.30 C ATOM 1344 CG LYS A 83 -11.255 17.001 -9.567 1.00 23.11 C ATOM 1345 CD LYS A 83 -10.285 17.615 -8.559 1.00 55.54 C ATOM 1346 CE LYS A 83 -9.528 16.546 -7.784 1.00 55.01 C ATOM 1347 NZ LYS A 83 -8.697 15.695 -8.677 1.00 74.24 N ATOM 0 H LYS A 83 -14.441 17.665 -9.684 1.00 12.00 H new ATOM 0 HA LYS A 83 -12.259 19.418 -8.746 1.00 24.51 H new ATOM 0 HB2 LYS A 83 -12.570 17.583 -11.155 1.00 24.30 H new ATOM 0 HB3 LYS A 83 -11.205 18.658 -10.924 1.00 24.30 H new ATOM 0 HG2 LYS A 83 -11.998 16.404 -9.039 1.00 23.11 H new ATOM 0 HG3 LYS A 83 -10.713 16.325 -10.228 1.00 23.11 H new ATOM 0 HD2 LYS A 83 -9.576 18.257 -9.081 1.00 55.54 H new ATOM 0 HD3 LYS A 83 -10.836 18.248 -7.863 1.00 55.54 H new ATOM 0 HE2 LYS A 83 -8.890 17.022 -7.039 1.00 55.01 H new ATOM 0 HE3 LYS A 83 -10.237 15.920 -7.243 1.00 55.01 H new ATOM 0 HZ1 LYS A 83 -8.002 15.170 -8.108 1.00 74.24 H new ATOM 0 HZ2 LYS A 83 -9.308 15.023 -9.184 1.00 74.24 H new ATOM 0 HZ3 LYS A 83 -8.199 16.296 -9.364 1.00 74.24 H new ATOM 1361 N ARG A 84 -13.042 21.415 -10.028 1.00 44.14 N ATOM 1362 CA ARG A 84 -13.469 22.605 -10.776 1.00 53.14 C ATOM 1363 C ARG A 84 -12.283 23.543 -11.058 1.00 63.55 C ATOM 1364 O ARG A 84 -12.222 24.669 -10.560 1.00 51.01 O ATOM 1365 CB ARG A 84 -14.570 23.348 -10.005 1.00 22.12 C ATOM 1366 CG ARG A 84 -15.245 24.457 -10.810 1.00 52.53 C ATOM 1367 CD ARG A 84 -15.991 23.904 -12.021 1.00 42.10 C ATOM 1368 NE ARG A 84 -16.529 24.966 -12.864 1.00 20.32 N ATOM 1369 CZ ARG A 84 -17.778 25.065 -13.222 1.00 50.14 C ATOM 1370 NH1 ARG A 84 -18.655 24.208 -12.806 1.00 53.22 N ATOM 1371 NH2 ARG A 84 -18.142 26.029 -13.997 1.00 25.24 N ATOM 0 H ARG A 84 -12.529 21.618 -9.170 1.00 44.14 H new ATOM 0 HA ARG A 84 -13.869 22.276 -11.735 1.00 53.14 H new ATOM 0 HB2 ARG A 84 -15.326 22.630 -9.688 1.00 22.12 H new ATOM 0 HB3 ARG A 84 -14.140 23.778 -9.101 1.00 22.12 H new ATOM 0 HG2 ARG A 84 -15.942 24.998 -10.170 1.00 52.53 H new ATOM 0 HG3 ARG A 84 -14.494 25.174 -11.142 1.00 52.53 H new ATOM 0 HD2 ARG A 84 -15.317 23.281 -12.609 1.00 42.10 H new ATOM 0 HD3 ARG A 84 -16.805 23.262 -11.683 1.00 42.10 H new ATOM 0 HE ARG A 84 -15.882 25.681 -13.197 1.00 20.32 H new ATOM 0 HH11 ARG A 84 -18.371 23.445 -12.191 1.00 53.22 H new ATOM 0 HH12 ARG A 84 -19.630 24.296 -13.093 1.00 53.22 H new ATOM 0 HH21 ARG A 84 -17.454 26.707 -14.325 1.00 25.24 H new ATOM 0 HH22 ARG A 84 -19.118 26.114 -14.282 1.00 25.24 H new ATOM 1385 N LYS A 85 -11.333 23.060 -11.856 1.00 4.23 N ATOM 1386 CA LYS A 85 -10.145 23.843 -12.213 1.00 63.34 C ATOM 1387 C LYS A 85 -9.759 23.636 -13.686 1.00 71.45 C ATOM 1388 O LYS A 85 -9.155 22.622 -14.041 1.00 74.02 O ATOM 1389 CB LYS A 85 -8.952 23.468 -11.317 1.00 53.43 C ATOM 1390 CG LYS A 85 -9.156 23.776 -9.835 1.00 31.14 C ATOM 1391 CD LYS A 85 -7.920 23.423 -9.014 1.00 0.40 C ATOM 1392 CE LYS A 85 -8.099 23.775 -7.542 1.00 22.20 C ATOM 1393 NZ LYS A 85 -6.881 23.469 -6.747 1.00 44.33 N ATOM 0 H LYS A 85 -11.360 22.128 -12.270 1.00 4.23 H new ATOM 0 HA LYS A 85 -10.395 24.893 -12.060 1.00 63.34 H new ATOM 0 HB2 LYS A 85 -8.749 22.403 -11.430 1.00 53.43 H new ATOM 0 HB3 LYS A 85 -8.068 24.000 -11.668 1.00 53.43 H new ATOM 0 HG2 LYS A 85 -9.386 24.834 -9.711 1.00 31.14 H new ATOM 0 HG3 LYS A 85 -10.014 23.217 -9.461 1.00 31.14 H new ATOM 0 HD2 LYS A 85 -7.712 22.357 -9.110 1.00 0.40 H new ATOM 0 HD3 LYS A 85 -7.055 23.954 -9.412 1.00 0.40 H new ATOM 0 HE2 LYS A 85 -8.337 24.835 -7.448 1.00 22.20 H new ATOM 0 HE3 LYS A 85 -8.946 23.221 -7.137 1.00 22.20 H new ATOM 0 HZ1 LYS A 85 -7.043 23.723 -5.752 1.00 44.33 H new ATOM 0 HZ2 LYS A 85 -6.668 22.453 -6.815 1.00 44.33 H new ATOM 0 HZ3 LYS A 85 -6.078 24.017 -7.117 1.00 44.33 H new ATOM 1407 N LEU A 86 -10.115 24.593 -14.540 1.00 30.13 N ATOM 1408 CA LEU A 86 -9.740 24.545 -15.957 1.00 62.03 C ATOM 1409 C LEU A 86 -8.430 25.319 -16.184 1.00 70.52 C ATOM 1410 O LEU A 86 -8.431 26.459 -16.656 1.00 14.32 O ATOM 1411 CB LEU A 86 -10.869 25.114 -16.835 1.00 42.43 C ATOM 1412 CG LEU A 86 -10.650 25.000 -18.356 1.00 50.21 C ATOM 1413 CD1 LEU A 86 -10.516 23.538 -18.779 1.00 2.11 C ATOM 1414 CD2 LEU A 86 -11.788 25.681 -19.117 1.00 30.23 C ATOM 0 H LEU A 86 -10.663 25.413 -14.278 1.00 30.13 H new ATOM 0 HA LEU A 86 -9.582 23.505 -16.242 1.00 62.03 H new ATOM 0 HB2 LEU A 86 -11.797 24.602 -16.580 1.00 42.43 H new ATOM 0 HB3 LEU A 86 -11.006 26.166 -16.583 1.00 42.43 H new ATOM 0 HG LEU A 86 -9.719 25.510 -18.604 1.00 50.21 H new ATOM 0 HD11 LEU A 86 -10.362 23.484 -19.857 1.00 2.11 H new ATOM 0 HD12 LEU A 86 -9.665 23.088 -18.268 1.00 2.11 H new ATOM 0 HD13 LEU A 86 -11.425 22.998 -18.515 1.00 2.11 H new ATOM 0 HD21 LEU A 86 -11.615 25.589 -20.189 1.00 30.23 H new ATOM 0 HD22 LEU A 86 -12.734 25.204 -18.860 1.00 30.23 H new ATOM 0 HD23 LEU A 86 -11.828 26.736 -18.845 1.00 30.23 H new ATOM 1426 N GLU A 87 -7.315 24.696 -15.817 1.00 42.22 N ATOM 1427 CA GLU A 87 -6.000 25.343 -15.870 1.00 32.22 C ATOM 1428 C GLU A 87 -4.984 24.440 -16.596 1.00 11.50 C ATOM 1429 O GLU A 87 -4.492 23.464 -16.026 1.00 75.24 O ATOM 1430 CB GLU A 87 -5.550 25.669 -14.430 1.00 21.41 C ATOM 1431 CG GLU A 87 -4.404 26.674 -14.311 1.00 55.51 C ATOM 1432 CD GLU A 87 -3.036 26.071 -14.583 1.00 32.22 C ATOM 1433 OE1 GLU A 87 -2.565 25.262 -13.757 1.00 13.54 O ATOM 1434 OE2 GLU A 87 -2.422 26.415 -15.614 1.00 51.12 O ATOM 0 H GLU A 87 -7.292 23.735 -15.476 1.00 42.22 H new ATOM 0 HA GLU A 87 -6.062 26.272 -16.437 1.00 32.22 H new ATOM 0 HB2 GLU A 87 -6.407 26.055 -13.878 1.00 21.41 H new ATOM 0 HB3 GLU A 87 -5.249 24.741 -13.943 1.00 21.41 H new ATOM 0 HG2 GLU A 87 -4.576 27.493 -15.009 1.00 55.51 H new ATOM 0 HG3 GLU A 87 -4.410 27.103 -13.309 1.00 55.51 H new ATOM 1441 N THR A 88 -4.719 24.755 -17.875 1.00 30.20 N ATOM 1442 CA THR A 88 -3.810 23.960 -18.741 1.00 32.25 C ATOM 1443 C THR A 88 -4.121 22.454 -18.703 1.00 62.25 C ATOM 1444 O THR A 88 -3.242 21.619 -18.922 1.00 73.23 O ATOM 1445 CB THR A 88 -2.310 24.176 -18.395 1.00 34.53 C ATOM 1446 OG1 THR A 88 -2.055 23.869 -17.016 1.00 72.11 O ATOM 1447 CG2 THR A 88 -1.876 25.608 -18.689 1.00 44.52 C ATOM 0 H THR A 88 -5.124 25.565 -18.344 1.00 30.20 H new ATOM 0 HA THR A 88 -3.994 24.331 -19.749 1.00 32.25 H new ATOM 0 HB THR A 88 -1.730 23.500 -19.024 1.00 34.53 H new ATOM 0 HG1 THR A 88 -2.800 23.345 -16.654 1.00 72.11 H new ATOM 0 HG21 THR A 88 -0.822 25.728 -18.437 1.00 44.52 H new ATOM 0 HG22 THR A 88 -2.022 25.822 -19.748 1.00 44.52 H new ATOM 0 HG23 THR A 88 -2.473 26.299 -18.093 1.00 44.52 H new ATOM 1455 N ILE A 89 -5.387 22.115 -18.464 1.00 34.24 N ATOM 1456 CA ILE A 89 -5.821 20.714 -18.374 1.00 3.22 C ATOM 1457 C ILE A 89 -5.643 19.969 -19.711 1.00 64.13 C ATOM 1458 O ILE A 89 -5.012 18.913 -19.767 1.00 5.32 O ATOM 1459 CB ILE A 89 -7.306 20.618 -17.928 1.00 32.33 C ATOM 1460 CG1 ILE A 89 -7.511 21.316 -16.570 1.00 21.33 C ATOM 1461 CG2 ILE A 89 -7.765 19.159 -17.859 1.00 33.23 C ATOM 1462 CD1 ILE A 89 -6.677 20.739 -15.442 1.00 54.51 C ATOM 0 H ILE A 89 -6.137 22.793 -18.328 1.00 34.24 H new ATOM 0 HA ILE A 89 -5.186 20.239 -17.626 1.00 3.22 H new ATOM 0 HB ILE A 89 -7.916 21.129 -18.673 1.00 32.33 H new ATOM 0 HG12 ILE A 89 -7.273 22.374 -16.678 1.00 21.33 H new ATOM 0 HG13 ILE A 89 -8.564 21.253 -16.297 1.00 21.33 H new ATOM 0 HG21 ILE A 89 -8.808 19.120 -17.544 1.00 33.23 H new ATOM 0 HG22 ILE A 89 -7.665 18.699 -18.842 1.00 33.23 H new ATOM 0 HG23 ILE A 89 -7.149 18.617 -17.141 1.00 33.23 H new ATOM 0 HD11 ILE A 89 -6.881 21.287 -14.522 1.00 54.51 H new ATOM 0 HD12 ILE A 89 -6.931 19.688 -15.303 1.00 54.51 H new ATOM 0 HD13 ILE A 89 -5.619 20.827 -15.690 1.00 54.51 H new ATOM 1474 N VAL A 90 -6.203 20.526 -20.783 1.00 72.43 N ATOM 1475 CA VAL A 90 -6.150 19.886 -22.101 1.00 65.11 C ATOM 1476 C VAL A 90 -4.890 20.307 -22.881 1.00 41.22 C ATOM 1477 O VAL A 90 -4.866 21.351 -23.536 1.00 35.45 O ATOM 1478 CB VAL A 90 -7.413 20.214 -22.940 1.00 40.44 C ATOM 1479 CG1 VAL A 90 -7.397 19.454 -24.266 1.00 15.54 C ATOM 1480 CG2 VAL A 90 -8.682 19.899 -22.148 1.00 55.51 C ATOM 0 H VAL A 90 -6.698 21.417 -20.768 1.00 72.43 H new ATOM 0 HA VAL A 90 -6.112 18.810 -21.928 1.00 65.11 H new ATOM 0 HB VAL A 90 -7.407 21.281 -23.163 1.00 40.44 H new ATOM 0 HG11 VAL A 90 -8.292 19.700 -24.837 1.00 15.54 H new ATOM 0 HG12 VAL A 90 -6.513 19.737 -24.837 1.00 15.54 H new ATOM 0 HG13 VAL A 90 -7.374 18.382 -24.071 1.00 15.54 H new ATOM 0 HG21 VAL A 90 -9.557 20.136 -22.753 1.00 55.51 H new ATOM 0 HG22 VAL A 90 -8.696 18.840 -21.889 1.00 55.51 H new ATOM 0 HG23 VAL A 90 -8.699 20.496 -21.236 1.00 55.51 H new ATOM 1490 N GLN A 91 -3.846 19.487 -22.788 1.00 41.42 N ATOM 1491 CA GLN A 91 -2.582 19.722 -23.503 1.00 43.22 C ATOM 1492 C GLN A 91 -2.523 18.910 -24.814 1.00 4.03 C ATOM 1493 O GLN A 91 -2.526 17.658 -24.741 1.00 37.12 O ATOM 1494 CB GLN A 91 -1.394 19.349 -22.600 1.00 71.00 C ATOM 1495 CG GLN A 91 -1.257 20.217 -21.351 1.00 63.42 C ATOM 1496 CD GLN A 91 -0.807 21.634 -21.663 1.00 73.00 C ATOM 1497 OE1 GLN A 91 -1.617 22.528 -21.883 1.00 24.32 O ATOM 1498 NE2 GLN A 91 0.493 21.847 -21.689 1.00 23.22 N ATOM 1499 OXT GLN A 91 -2.459 19.524 -25.907 1.00 37.12 O ATOM 0 H GLN A 91 -3.846 18.641 -22.218 1.00 41.42 H new ATOM 0 HA GLN A 91 -2.527 20.780 -23.758 1.00 43.22 H new ATOM 0 HB2 GLN A 91 -1.498 18.308 -22.295 1.00 71.00 H new ATOM 0 HB3 GLN A 91 -0.475 19.421 -23.181 1.00 71.00 H new ATOM 0 HG2 GLN A 91 -2.215 20.251 -20.832 1.00 63.42 H new ATOM 0 HG3 GLN A 91 -0.542 19.755 -20.670 1.00 63.42 H new ATOM 0 HE21 GLN A 91 1.139 21.081 -21.501 1.00 23.22 H new ATOM 0 HE22 GLN A 91 0.853 22.778 -21.897 1.00 23.22 H new TER 1508 GLN A 91