USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 830 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 12 MET CE :methyl -163:sc=-0.00978 (180deg=-0.0597) USER MOD Set 1.2: A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.00365 USER MOD Single : A 7 THR OG1 : rot 53:sc= 0.0186 USER MOD Single : A -1 GLY N :NH3+ -130:sc= 0.0887 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -125:sc= 1.04 (180deg=-0.963) USER MOD Single : A 16 MET CE :methyl -160:sc= -0.0418 (180deg=-0.542) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0546 K(o=-0.055,f=-7.4!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.31 K(o=-1.3,f=-3!) USER MOD Single : A 36 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.6) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0806) USER MOD Single : A 45 TYR OH : rot 160:sc= 0.0183 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0.904 K(o=0.9,f=-3!) USER MOD Single : A 53 SER OG : rot -92:sc= 0.896 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 137:sc= 0.276 (180deg=-0.0484) USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0325) USER MOD Single : A 74 GLN : amide:sc= -0.0329 K(o=-0.033,f=-0.67) USER MOD Single : A 83 LYS NZ :NH3+ 171:sc= 0.16 (180deg=0.0984) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 19.688 -33.058 10.115 1.00 0.00 N ATOM 2 CA GLY A -1 18.338 -33.649 10.086 1.00 0.00 C ATOM 3 C GLY A -1 17.345 -32.771 9.329 1.00 0.00 C ATOM 4 O GLY A -1 17.716 -31.709 8.830 1.00 0.00 O ATOM 0 H1 GLY A -1 20.385 -33.770 9.816 1.00 0.00 H new ATOM 0 H2 GLY A -1 19.725 -32.244 9.469 1.00 0.00 H new ATOM 0 H3 GLY A -1 19.908 -32.743 11.081 1.00 0.00 H new ATOM 0 HA2 GLY A -1 18.383 -34.632 9.618 1.00 0.00 H new ATOM 0 HA3 GLY A -1 17.985 -33.798 11.107 1.00 0.00 H new ATOM 10 N SER A 0 16.087 -33.221 9.249 1.00 0.00 N ATOM 11 CA SER A 0 15.009 -32.508 8.578 1.00 0.00 C ATOM 12 C SER A 0 13.700 -32.728 9.334 1.00 0.00 C ATOM 13 O SER A 0 13.141 -31.772 9.864 1.00 0.00 O ATOM 14 CB SER A 0 14.903 -32.956 7.114 1.00 0.00 C ATOM 15 OG SER A 0 16.113 -32.699 6.431 1.00 0.00 O ATOM 0 H SER A 0 15.791 -34.107 9.658 1.00 0.00 H new ATOM 0 HA SER A 0 15.223 -31.439 8.576 1.00 0.00 H new ATOM 0 HB2 SER A 0 14.671 -34.020 7.069 1.00 0.00 H new ATOM 0 HB3 SER A 0 14.083 -32.430 6.625 1.00 0.00 H new ATOM 0 HG SER A 0 16.031 -32.991 5.499 1.00 0.00 H new ATOM 21 N MET A 1 13.232 -33.985 9.386 1.00 0.00 N ATOM 22 CA MET A 1 11.993 -34.431 10.023 1.00 0.00 C ATOM 23 C MET A 1 10.810 -33.470 9.822 1.00 0.00 C ATOM 24 O MET A 1 10.058 -33.193 10.754 1.00 0.00 O ATOM 25 CB MET A 1 12.227 -34.846 11.489 1.00 0.00 C ATOM 26 CG MET A 1 12.805 -33.754 12.400 1.00 0.00 C ATOM 27 SD MET A 1 14.616 -33.620 12.390 1.00 0.00 S ATOM 28 CE MET A 1 14.809 -32.054 13.275 1.00 0.00 C ATOM 0 H MET A 1 13.741 -34.758 8.958 1.00 0.00 H new ATOM 0 HA MET A 1 11.680 -35.333 9.498 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.279 -35.181 11.909 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.902 -35.702 11.503 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.384 -32.794 12.102 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.476 -33.943 13.422 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.869 -31.813 13.362 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.301 -31.261 12.727 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.374 -32.143 14.271 1.00 0.00 H new ATOM 38 N LYS A 2 10.645 -32.990 8.583 1.00 0.00 N ATOM 39 CA LYS A 2 9.552 -32.133 8.141 1.00 0.00 C ATOM 40 C LYS A 2 8.854 -32.824 6.971 1.00 0.00 C ATOM 41 O LYS A 2 7.700 -33.228 7.099 1.00 0.00 O ATOM 42 CB LYS A 2 10.111 -30.756 7.754 1.00 0.00 C ATOM 43 CG LYS A 2 10.337 -29.899 9.008 1.00 0.00 C ATOM 44 CD LYS A 2 10.949 -28.531 8.685 1.00 0.00 C ATOM 45 CE LYS A 2 12.429 -28.630 8.294 1.00 0.00 C ATOM 46 NZ LYS A 2 12.971 -27.301 8.088 1.00 0.00 N ATOM 0 H LYS A 2 11.302 -33.201 7.832 1.00 0.00 H new ATOM 0 HA LYS A 2 8.822 -31.973 8.935 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.050 -30.876 7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.418 -30.251 7.081 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.386 -29.755 9.522 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.993 -30.433 9.695 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.391 -28.070 7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.848 -27.877 9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.988 -29.144 9.076 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.536 -29.222 7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.974 -27.372 7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.445 -26.826 7.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.883 -26.750 8.966 1.00 0.00 H new ATOM 59 N LYS A 3 9.581 -32.983 5.854 1.00 0.00 N ATOM 60 CA LYS A 3 9.208 -33.747 4.665 1.00 0.00 C ATOM 61 C LYS A 3 8.114 -33.058 3.842 1.00 0.00 C ATOM 62 O LYS A 3 8.388 -32.607 2.731 1.00 0.00 O ATOM 63 CB LYS A 3 8.868 -35.205 5.026 1.00 0.00 C ATOM 64 CG LYS A 3 8.586 -36.097 3.809 1.00 0.00 C ATOM 65 CD LYS A 3 9.782 -36.199 2.853 1.00 0.00 C ATOM 66 CE LYS A 3 9.535 -37.290 1.806 1.00 0.00 C ATOM 67 NZ LYS A 3 10.653 -37.352 0.883 1.00 0.00 N ATOM 0 H LYS A 3 10.501 -32.553 5.756 1.00 0.00 H new ATOM 0 HA LYS A 3 10.079 -33.780 4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.696 -35.631 5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.996 -35.213 5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.315 -37.096 4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.727 -35.702 3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.944 -35.241 2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.688 -36.424 3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.404 -38.254 2.297 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.614 -37.082 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.478 -38.094 0.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.759 -36.435 0.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.524 -37.571 1.407 1.00 0.00 H new ATOM 80 N TRP A 4 6.893 -32.998 4.390 1.00 0.00 N ATOM 81 CA TRP A 4 5.703 -32.357 3.838 1.00 0.00 C ATOM 82 C TRP A 4 5.609 -32.453 2.312 1.00 0.00 C ATOM 83 O TRP A 4 5.466 -31.444 1.623 1.00 0.00 O ATOM 84 CB TRP A 4 5.598 -30.913 4.347 1.00 0.00 C ATOM 85 CG TRP A 4 5.785 -30.731 5.824 1.00 0.00 C ATOM 86 CD1 TRP A 4 6.682 -29.897 6.396 1.00 0.00 C ATOM 87 CD2 TRP A 4 5.105 -31.400 6.930 1.00 0.00 C ATOM 88 NE1 TRP A 4 6.618 -30.004 7.770 1.00 0.00 N ATOM 89 CE2 TRP A 4 5.666 -30.925 8.153 1.00 0.00 C ATOM 90 CE3 TRP A 4 4.078 -32.365 7.030 1.00 0.00 C ATOM 91 CZ2 TRP A 4 5.235 -31.385 9.406 1.00 0.00 C ATOM 92 CZ3 TRP A 4 3.641 -32.836 8.282 1.00 0.00 C ATOM 93 CH2 TRP A 4 4.218 -32.350 9.469 1.00 0.00 C ATOM 0 H TRP A 4 6.703 -33.428 5.295 1.00 0.00 H new ATOM 0 HA TRP A 4 4.837 -32.912 4.200 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.342 -30.309 3.828 1.00 0.00 H new ATOM 0 HB3 TRP A 4 4.619 -30.520 4.072 1.00 0.00 H new ATOM 0 HD1 TRP A 4 7.351 -29.243 5.856 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.199 -29.472 8.418 1.00 0.00 H new ATOM 0 HE3 TRP A 4 3.620 -32.748 6.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 5.681 -31.001 10.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 2.856 -33.576 8.332 1.00 0.00 H new ATOM 0 HH2 TRP A 4 3.879 -32.718 10.426 1.00 0.00 H new ATOM 104 N SER A 5 5.653 -33.685 1.789 1.00 0.00 N ATOM 105 CA SER A 5 5.553 -33.967 0.364 1.00 0.00 C ATOM 106 C SER A 5 4.081 -34.052 -0.056 1.00 0.00 C ATOM 107 O SER A 5 3.647 -35.043 -0.643 1.00 0.00 O ATOM 108 CB SER A 5 6.343 -35.244 0.046 1.00 0.00 C ATOM 109 OG SER A 5 5.908 -36.333 0.836 1.00 0.00 O ATOM 0 H SER A 5 5.761 -34.523 2.360 1.00 0.00 H new ATOM 0 HA SER A 5 5.993 -33.157 -0.217 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.229 -35.490 -1.010 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.405 -35.069 0.219 1.00 0.00 H new ATOM 0 HG SER A 5 6.429 -37.131 0.608 1.00 0.00 H new ATOM 115 N ASP A 6 3.314 -32.996 0.244 1.00 0.00 N ATOM 116 CA ASP A 6 1.899 -32.881 -0.068 1.00 0.00 C ATOM 117 C ASP A 6 1.494 -31.412 0.062 1.00 0.00 C ATOM 118 O ASP A 6 0.738 -31.041 0.959 1.00 0.00 O ATOM 119 CB ASP A 6 1.075 -33.803 0.850 1.00 0.00 C ATOM 120 CG ASP A 6 -0.420 -33.781 0.529 1.00 0.00 C ATOM 121 OD1 ASP A 6 -0.809 -33.376 -0.565 1.00 0.00 O ATOM 122 OD2 ASP A 6 -1.243 -34.234 1.517 1.00 0.00 O ATOM 0 H ASP A 6 3.681 -32.176 0.726 1.00 0.00 H new ATOM 0 HA ASP A 6 1.701 -33.204 -1.090 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.446 -34.824 0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.223 -33.501 1.887 1.00 0.00 H new ATOM 128 N THR A 7 2.021 -30.579 -0.841 1.00 0.00 N ATOM 129 CA THR A 7 1.796 -29.141 -0.883 1.00 0.00 C ATOM 130 C THR A 7 1.128 -28.787 -2.213 1.00 0.00 C ATOM 131 O THR A 7 1.730 -28.141 -3.069 1.00 0.00 O ATOM 132 CB THR A 7 3.130 -28.408 -0.667 1.00 0.00 C ATOM 133 OG1 THR A 7 4.132 -28.946 -1.507 1.00 0.00 O ATOM 134 CG2 THR A 7 3.582 -28.537 0.792 1.00 0.00 C ATOM 0 H THR A 7 2.637 -30.904 -1.586 1.00 0.00 H new ATOM 0 HA THR A 7 1.127 -28.822 -0.084 1.00 0.00 H new ATOM 0 HB THR A 7 2.978 -27.356 -0.910 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.812 -28.956 -2.433 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.528 -28.013 0.928 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.828 -28.100 1.447 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.712 -29.590 1.041 1.00 0.00 H new ATOM 142 N GLU A 8 -0.129 -29.217 -2.373 1.00 0.00 N ATOM 143 CA GLU A 8 -0.931 -28.970 -3.561 1.00 0.00 C ATOM 144 C GLU A 8 -2.349 -28.599 -3.130 1.00 0.00 C ATOM 145 O GLU A 8 -3.159 -29.472 -2.819 1.00 0.00 O ATOM 146 CB GLU A 8 -0.893 -30.202 -4.477 1.00 0.00 C ATOM 147 CG GLU A 8 -1.594 -29.914 -5.812 1.00 0.00 C ATOM 148 CD GLU A 8 -1.554 -31.123 -6.741 1.00 0.00 C ATOM 149 OE1 GLU A 8 -2.607 -31.627 -7.123 1.00 0.00 O ATOM 150 OE2 GLU A 8 -0.313 -31.565 -7.096 1.00 0.00 O ATOM 0 H GLU A 8 -0.621 -29.757 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.528 -28.136 -4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.142 -30.492 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.377 -31.044 -3.982 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.630 -29.632 -5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.115 -29.065 -6.299 1.00 0.00 H new ATOM 158 N VAL A 9 -2.635 -27.294 -3.113 1.00 0.00 N ATOM 159 CA VAL A 9 -3.932 -26.727 -2.785 1.00 0.00 C ATOM 160 C VAL A 9 -4.045 -25.392 -3.522 1.00 0.00 C ATOM 161 O VAL A 9 -3.087 -24.620 -3.557 1.00 0.00 O ATOM 162 CB VAL A 9 -4.098 -26.613 -1.256 1.00 0.00 C ATOM 163 CG1 VAL A 9 -3.043 -25.713 -0.600 1.00 0.00 C ATOM 164 CG2 VAL A 9 -5.498 -26.115 -0.878 1.00 0.00 C ATOM 0 H VAL A 9 -1.939 -26.583 -3.337 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.751 -27.368 -3.112 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.956 -27.624 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.215 -25.675 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.049 -26.116 -0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.114 -24.707 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.579 -26.047 0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.665 -25.131 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.246 -26.812 -1.255 1.00 0.00 H new ATOM 174 N PHE A 10 -5.196 -25.157 -4.162 1.00 0.00 N ATOM 175 CA PHE A 10 -5.412 -24.052 -5.091 1.00 0.00 C ATOM 176 C PHE A 10 -6.358 -23.017 -4.488 1.00 0.00 C ATOM 177 O PHE A 10 -6.197 -21.819 -4.715 1.00 0.00 O ATOM 178 CB PHE A 10 -5.983 -24.608 -6.401 1.00 0.00 C ATOM 179 CG PHE A 10 -5.218 -25.796 -6.953 1.00 0.00 C ATOM 180 CD1 PHE A 10 -3.941 -25.610 -7.517 1.00 0.00 C ATOM 181 CD2 PHE A 10 -5.740 -27.098 -6.824 1.00 0.00 C ATOM 182 CE1 PHE A 10 -3.207 -26.716 -7.980 1.00 0.00 C ATOM 183 CE2 PHE A 10 -5.006 -28.203 -7.288 1.00 0.00 C ATOM 184 CZ PHE A 10 -3.747 -28.010 -7.880 1.00 0.00 C ATOM 0 H PHE A 10 -6.020 -25.746 -4.043 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.462 -23.555 -5.290 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.020 -24.901 -6.238 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.990 -23.814 -7.148 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.525 -24.616 -7.594 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -6.707 -27.247 -6.367 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.228 -26.571 -8.413 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.410 -29.200 -7.189 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.193 -28.856 -8.259 1.00 0.00 H new ATOM 194 N GLU A 11 -7.346 -23.494 -3.723 1.00 0.00 N ATOM 195 CA GLU A 11 -8.382 -22.706 -3.078 1.00 0.00 C ATOM 196 C GLU A 11 -7.833 -22.001 -1.831 1.00 0.00 C ATOM 197 O GLU A 11 -8.287 -22.250 -0.716 1.00 0.00 O ATOM 198 CB GLU A 11 -9.606 -23.596 -2.783 1.00 0.00 C ATOM 199 CG GLU A 11 -9.280 -24.899 -2.031 1.00 0.00 C ATOM 200 CD GLU A 11 -9.005 -26.074 -2.974 1.00 0.00 C ATOM 201 OE1 GLU A 11 -7.852 -26.311 -3.332 1.00 0.00 O ATOM 202 OE2 GLU A 11 -10.096 -26.793 -3.362 1.00 0.00 O ATOM 0 H GLU A 11 -7.442 -24.491 -3.532 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.714 -21.914 -3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.324 -23.022 -2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.093 -23.847 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.410 -24.738 -1.395 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.112 -25.153 -1.375 1.00 0.00 H new ATOM 210 N MET A 12 -6.859 -21.106 -2.038 1.00 0.00 N ATOM 211 CA MET A 12 -6.244 -20.296 -0.997 1.00 0.00 C ATOM 212 C MET A 12 -6.792 -18.865 -1.090 1.00 0.00 C ATOM 213 O MET A 12 -7.951 -18.666 -1.453 1.00 0.00 O ATOM 214 CB MET A 12 -4.713 -20.354 -1.127 1.00 0.00 C ATOM 215 CG MET A 12 -4.166 -21.785 -1.195 1.00 0.00 C ATOM 216 SD MET A 12 -2.361 -21.894 -1.067 1.00 0.00 S ATOM 217 CE MET A 12 -1.883 -21.265 -2.693 1.00 0.00 C ATOM 0 H MET A 12 -6.471 -20.926 -2.964 1.00 0.00 H new ATOM 0 HA MET A 12 -6.492 -20.684 -0.009 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.410 -19.813 -2.024 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.263 -19.840 -0.278 1.00 0.00 H new ATOM 0 HG2 MET A 12 -4.613 -22.372 -0.392 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.481 -22.239 -2.135 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.849 -21.540 -2.900 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.532 -21.696 -3.455 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.979 -20.179 -2.706 1.00 0.00 H new ATOM 227 N LEU A 13 -5.960 -17.865 -0.778 1.00 0.00 N ATOM 228 CA LEU A 13 -6.286 -16.455 -0.913 1.00 0.00 C ATOM 229 C LEU A 13 -6.260 -16.016 -2.380 1.00 0.00 C ATOM 230 O LEU A 13 -5.695 -16.699 -3.232 1.00 0.00 O ATOM 231 CB LEU A 13 -5.343 -15.595 -0.062 1.00 0.00 C ATOM 232 CG LEU A 13 -3.852 -15.950 -0.162 1.00 0.00 C ATOM 233 CD1 LEU A 13 -3.038 -14.654 -0.176 1.00 0.00 C ATOM 234 CD2 LEU A 13 -3.415 -16.800 1.038 1.00 0.00 C ATOM 0 H LEU A 13 -5.020 -18.026 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.302 -16.309 -0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.470 -14.552 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.648 -15.676 0.981 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.684 -16.521 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.977 -14.892 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.332 -14.049 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.225 -14.097 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.356 -17.040 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.583 -16.242 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.995 -17.722 1.061 1.00 0.00 H new ATOM 246 N LYS A 14 -6.892 -14.868 -2.654 1.00 0.00 N ATOM 247 CA LYS A 14 -7.050 -14.264 -3.969 1.00 0.00 C ATOM 248 C LYS A 14 -6.278 -12.940 -3.994 1.00 0.00 C ATOM 249 O LYS A 14 -6.107 -12.312 -2.950 1.00 0.00 O ATOM 250 CB LYS A 14 -8.565 -14.126 -4.227 1.00 0.00 C ATOM 251 CG LYS A 14 -9.051 -12.843 -4.911 1.00 0.00 C ATOM 252 CD LYS A 14 -9.117 -11.646 -3.948 1.00 0.00 C ATOM 253 CE LYS A 14 -10.039 -10.556 -4.485 1.00 0.00 C ATOM 254 NZ LYS A 14 -9.577 -10.083 -5.772 1.00 0.00 N ATOM 0 H LYS A 14 -7.328 -14.311 -1.919 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.635 -14.868 -4.776 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.881 -14.973 -4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.079 -14.212 -3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.384 -12.602 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.039 -13.016 -5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.473 -11.979 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.117 -11.239 -3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.053 -10.944 -4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.078 -9.726 -3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.450 -9.051 -5.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.670 -10.536 -6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.278 -10.322 -6.502 1.00 0.00 H new ATOM 267 N ARG A 15 -5.810 -12.514 -5.174 1.00 0.00 N ATOM 268 CA ARG A 15 -5.089 -11.265 -5.367 1.00 0.00 C ATOM 269 C ARG A 15 -6.028 -10.177 -5.872 1.00 0.00 C ATOM 270 O ARG A 15 -6.504 -10.243 -7.004 1.00 0.00 O ATOM 271 CB ARG A 15 -3.928 -11.517 -6.327 1.00 0.00 C ATOM 272 CG ARG A 15 -3.284 -10.261 -6.913 1.00 0.00 C ATOM 273 CD ARG A 15 -1.951 -10.663 -7.556 1.00 0.00 C ATOM 274 NE ARG A 15 -1.426 -9.622 -8.448 1.00 0.00 N ATOM 275 CZ ARG A 15 -0.151 -9.546 -8.875 1.00 0.00 C ATOM 276 NH1 ARG A 15 0.788 -10.371 -8.392 1.00 0.00 N ATOM 277 NH2 ARG A 15 0.186 -8.632 -9.793 1.00 0.00 N ATOM 0 H ARG A 15 -5.929 -13.046 -6.036 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.686 -10.911 -4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.162 -12.088 -5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.285 -12.140 -7.147 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.942 -9.807 -7.654 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.121 -9.518 -6.133 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.221 -10.870 -6.774 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.086 -11.587 -8.119 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.075 -8.903 -8.768 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.541 -11.069 -7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.749 -10.301 -8.726 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.521 -7.998 -10.165 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.150 -8.569 -10.120 1.00 0.00 H new ATOM 291 N MET A 16 -6.249 -9.149 -5.049 1.00 0.00 N ATOM 292 CA MET A 16 -6.893 -7.925 -5.479 1.00 0.00 C ATOM 293 C MET A 16 -5.832 -6.984 -6.062 1.00 0.00 C ATOM 294 O MET A 16 -4.635 -7.158 -5.840 1.00 0.00 O ATOM 295 CB MET A 16 -7.681 -7.319 -4.314 1.00 0.00 C ATOM 296 CG MET A 16 -6.886 -7.114 -3.032 1.00 0.00 C ATOM 297 SD MET A 16 -7.696 -6.083 -1.787 1.00 0.00 S ATOM 298 CE MET A 16 -7.593 -4.481 -2.619 1.00 0.00 C ATOM 0 H MET A 16 -5.982 -9.151 -4.065 1.00 0.00 H new ATOM 0 HA MET A 16 -7.619 -8.117 -6.269 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.084 -6.357 -4.630 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.531 -7.965 -4.096 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.675 -8.089 -2.593 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.926 -6.664 -3.286 1.00 0.00 H new ATOM 0 HE1 MET A 16 -7.709 -3.682 -1.886 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.624 -4.387 -3.108 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.384 -4.407 -3.365 1.00 0.00 H new ATOM 308 N TYR A 17 -6.269 -5.992 -6.836 1.00 0.00 N ATOM 309 CA TYR A 17 -5.392 -5.026 -7.469 1.00 0.00 C ATOM 310 C TYR A 17 -6.142 -3.704 -7.533 1.00 0.00 C ATOM 311 O TYR A 17 -6.787 -3.385 -8.530 1.00 0.00 O ATOM 312 CB TYR A 17 -4.925 -5.567 -8.831 1.00 0.00 C ATOM 313 CG TYR A 17 -4.317 -4.561 -9.793 1.00 0.00 C ATOM 314 CD1 TYR A 17 -3.569 -3.464 -9.322 1.00 0.00 C ATOM 315 CD2 TYR A 17 -4.589 -4.673 -11.171 1.00 0.00 C ATOM 316 CE1 TYR A 17 -3.186 -2.444 -10.211 1.00 0.00 C ATOM 317 CE2 TYR A 17 -4.194 -3.660 -12.058 1.00 0.00 C ATOM 318 CZ TYR A 17 -3.505 -2.536 -11.576 1.00 0.00 C ATOM 319 OH TYR A 17 -3.148 -1.534 -12.433 1.00 0.00 O ATOM 0 H TYR A 17 -7.257 -5.840 -7.040 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.476 -4.854 -6.903 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.191 -6.353 -8.651 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.778 -6.034 -9.322 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.290 -3.407 -8.280 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.105 -5.544 -11.547 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.644 -1.586 -9.843 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.420 -3.745 -13.111 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.444 -1.758 -13.340 1.00 0.00 H new ATOM 329 N ALA A 18 -6.053 -2.945 -6.437 1.00 0.00 N ATOM 330 CA ALA A 18 -6.721 -1.669 -6.304 1.00 0.00 C ATOM 331 C ALA A 18 -5.805 -0.550 -6.763 1.00 0.00 C ATOM 332 O ALA A 18 -4.982 -0.036 -6.009 1.00 0.00 O ATOM 333 CB ALA A 18 -7.190 -1.466 -4.875 1.00 0.00 C ATOM 0 H ALA A 18 -5.508 -3.210 -5.616 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.604 -1.656 -6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.691 -0.502 -4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.885 -2.261 -4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.332 -1.489 -4.204 1.00 0.00 H new ATOM 339 N ARG A 19 -6.002 -0.172 -8.021 1.00 0.00 N ATOM 340 CA ARG A 19 -5.435 1.008 -8.630 1.00 0.00 C ATOM 341 C ARG A 19 -6.313 2.182 -8.202 1.00 0.00 C ATOM 342 O ARG A 19 -7.465 2.281 -8.618 1.00 0.00 O ATOM 343 CB ARG A 19 -5.342 0.777 -10.145 1.00 0.00 C ATOM 344 CG ARG A 19 -4.773 1.942 -10.954 1.00 0.00 C ATOM 345 CD ARG A 19 -3.555 2.563 -10.270 1.00 0.00 C ATOM 346 NE ARG A 19 -2.673 3.238 -11.226 1.00 0.00 N ATOM 347 CZ ARG A 19 -2.960 4.321 -11.969 1.00 0.00 C ATOM 348 NH1 ARG A 19 -4.163 4.909 -11.907 1.00 0.00 N ATOM 349 NH2 ARG A 19 -2.026 4.817 -12.792 1.00 0.00 N ATOM 0 H ARG A 19 -6.586 -0.707 -8.664 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.417 1.231 -8.310 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.724 -0.103 -10.324 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.339 0.548 -10.522 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.494 1.593 -11.948 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.542 2.702 -11.088 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.887 3.277 -9.517 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.997 1.786 -9.748 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.740 2.843 -11.340 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.882 4.535 -11.287 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.360 5.730 -12.480 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.109 4.373 -12.850 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.232 5.638 -13.361 1.00 0.00 H new ATOM 363 N VAL A 20 -5.783 3.015 -7.299 1.00 0.00 N ATOM 364 CA VAL A 20 -6.551 4.035 -6.594 1.00 0.00 C ATOM 365 C VAL A 20 -6.474 5.330 -7.398 1.00 0.00 C ATOM 366 O VAL A 20 -5.548 6.111 -7.203 1.00 0.00 O ATOM 367 CB VAL A 20 -5.982 4.204 -5.169 1.00 0.00 C ATOM 368 CG1 VAL A 20 -6.830 5.161 -4.322 1.00 0.00 C ATOM 369 CG2 VAL A 20 -5.886 2.857 -4.441 1.00 0.00 C ATOM 0 H VAL A 20 -4.797 2.996 -7.038 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.598 3.749 -6.498 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.984 4.626 -5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.393 5.251 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.855 6.142 -4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.845 4.772 -4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.482 3.012 -3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.878 2.412 -4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.230 2.188 -4.998 1.00 0.00 H new ATOM 379 N TYR A 21 -7.420 5.546 -8.323 1.00 0.00 N ATOM 380 CA TYR A 21 -7.299 6.618 -9.313 1.00 0.00 C ATOM 381 C TYR A 21 -7.336 7.984 -8.626 1.00 0.00 C ATOM 382 O TYR A 21 -8.045 8.159 -7.638 1.00 0.00 O ATOM 383 CB TYR A 21 -8.433 6.588 -10.355 1.00 0.00 C ATOM 384 CG TYR A 21 -8.615 5.380 -11.261 1.00 0.00 C ATOM 385 CD1 TYR A 21 -7.922 4.171 -11.058 1.00 0.00 C ATOM 386 CD2 TYR A 21 -9.578 5.454 -12.285 1.00 0.00 C ATOM 387 CE1 TYR A 21 -8.285 3.018 -11.776 1.00 0.00 C ATOM 388 CE2 TYR A 21 -9.885 4.320 -13.057 1.00 0.00 C ATOM 389 CZ TYR A 21 -9.273 3.090 -12.770 1.00 0.00 C ATOM 390 OH TYR A 21 -9.641 1.972 -13.460 1.00 0.00 O ATOM 0 H TYR A 21 -8.273 4.993 -8.404 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.347 6.458 -9.820 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.370 6.730 -9.816 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.301 7.457 -11.000 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.109 4.129 -10.348 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.084 6.388 -12.479 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.803 2.076 -11.562 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.591 4.395 -13.870 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.338 2.203 -14.109 1.00 0.00 H new ATOM 400 N GLY A 22 -6.624 8.962 -9.202 1.00 0.00 N ATOM 401 CA GLY A 22 -6.751 10.370 -8.860 1.00 0.00 C ATOM 402 C GLY A 22 -5.448 10.952 -8.331 1.00 0.00 C ATOM 403 O GLY A 22 -4.383 10.349 -8.471 1.00 0.00 O ATOM 0 H GLY A 22 -5.933 8.785 -9.931 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.066 10.929 -9.741 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.532 10.491 -8.110 1.00 0.00 H new ATOM 407 N LEU A 23 -5.546 12.132 -7.702 1.00 0.00 N ATOM 408 CA LEU A 23 -4.403 12.871 -7.179 1.00 0.00 C ATOM 409 C LEU A 23 -4.126 12.461 -5.727 1.00 0.00 C ATOM 410 O LEU A 23 -3.752 13.287 -4.896 1.00 0.00 O ATOM 411 CB LEU A 23 -4.662 14.375 -7.343 1.00 0.00 C ATOM 412 CG LEU A 23 -3.394 15.248 -7.281 1.00 0.00 C ATOM 413 CD1 LEU A 23 -2.553 15.135 -8.559 1.00 0.00 C ATOM 414 CD2 LEU A 23 -3.798 16.712 -7.081 1.00 0.00 C ATOM 0 H LEU A 23 -6.438 12.601 -7.543 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.501 12.631 -7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.159 14.544 -8.298 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.351 14.700 -6.564 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.789 14.894 -6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.670 15.767 -8.470 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.245 14.099 -8.702 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.146 15.458 -9.415 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.904 17.333 -7.037 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.423 17.034 -7.914 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.356 16.812 -6.150 1.00 0.00 H new ATOM 426 N VAL A 24 -4.312 11.171 -5.421 1.00 0.00 N ATOM 427 CA VAL A 24 -4.084 10.619 -4.090 1.00 0.00 C ATOM 428 C VAL A 24 -2.599 10.550 -3.716 1.00 0.00 C ATOM 429 O VAL A 24 -2.273 10.454 -2.533 1.00 0.00 O ATOM 430 CB VAL A 24 -4.780 9.255 -3.955 1.00 0.00 C ATOM 431 CG1 VAL A 24 -6.276 9.397 -4.254 1.00 0.00 C ATOM 432 CG2 VAL A 24 -4.167 8.203 -4.883 1.00 0.00 C ATOM 0 H VAL A 24 -4.628 10.479 -6.100 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.530 11.306 -3.370 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.638 8.917 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.760 8.426 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.723 10.098 -3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.410 9.768 -5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.690 7.255 -4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.261 8.532 -5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.113 8.072 -4.639 1.00 0.00 H new ATOM 442 N GLN A 25 -1.705 10.599 -4.713 1.00 0.00 N ATOM 443 CA GLN A 25 -0.266 10.529 -4.519 1.00 0.00 C ATOM 444 C GLN A 25 0.220 11.645 -3.591 1.00 0.00 C ATOM 445 O GLN A 25 -0.299 12.758 -3.630 1.00 0.00 O ATOM 446 CB GLN A 25 0.444 10.577 -5.881 1.00 0.00 C ATOM 447 CG GLN A 25 1.426 9.412 -6.028 1.00 0.00 C ATOM 448 CD GLN A 25 0.730 8.072 -6.280 1.00 0.00 C ATOM 449 OE1 GLN A 25 -0.392 7.840 -5.833 1.00 0.00 O ATOM 450 NE2 GLN A 25 1.402 7.187 -7.017 1.00 0.00 N ATOM 0 H GLN A 25 -1.976 10.690 -5.692 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.020 9.584 -4.035 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.294 10.538 -6.682 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.977 11.522 -5.984 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.109 9.621 -6.851 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.030 9.337 -5.124 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.331 7.418 -7.370 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.987 6.279 -7.228 1.00 0.00 H new ATOM 459 N GLY A 26 1.200 11.329 -2.736 1.00 0.00 N ATOM 460 CA GLY A 26 1.778 12.265 -1.785 1.00 0.00 C ATOM 461 C GLY A 26 0.985 12.326 -0.477 1.00 0.00 C ATOM 462 O GLY A 26 1.586 12.352 0.597 1.00 0.00 O ATOM 0 H GLY A 26 1.615 10.398 -2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.806 11.974 -1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.814 13.258 -2.232 1.00 0.00 H new ATOM 466 N VAL A 27 -0.352 12.361 -0.564 1.00 0.00 N ATOM 467 CA VAL A 27 -1.238 12.545 0.580 1.00 0.00 C ATOM 468 C VAL A 27 -1.369 11.230 1.353 1.00 0.00 C ATOM 469 O VAL A 27 -2.375 10.529 1.237 1.00 0.00 O ATOM 470 CB VAL A 27 -2.599 13.088 0.106 1.00 0.00 C ATOM 471 CG1 VAL A 27 -3.507 13.419 1.300 1.00 0.00 C ATOM 472 CG2 VAL A 27 -2.411 14.361 -0.731 1.00 0.00 C ATOM 0 H VAL A 27 -0.850 12.260 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.817 13.282 1.264 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.065 12.311 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.461 13.800 0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.677 12.518 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.028 14.174 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.384 14.729 -1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.918 15.123 -0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.798 14.136 -1.604 1.00 0.00 H new ATOM 482 N GLY A 28 -0.343 10.915 2.154 1.00 0.00 N ATOM 483 CA GLY A 28 -0.299 9.758 3.035 1.00 0.00 C ATOM 484 C GLY A 28 -0.710 8.487 2.298 1.00 0.00 C ATOM 485 O GLY A 28 -0.103 8.154 1.283 1.00 0.00 O ATOM 0 H GLY A 28 0.503 11.482 2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.708 9.640 3.435 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.962 9.919 3.885 1.00 0.00 H new ATOM 489 N PHE A 29 -1.763 7.828 2.805 1.00 0.00 N ATOM 490 CA PHE A 29 -2.448 6.659 2.252 1.00 0.00 C ATOM 491 C PHE A 29 -1.594 5.382 2.198 1.00 0.00 C ATOM 492 O PHE A 29 -1.985 4.358 2.752 1.00 0.00 O ATOM 493 CB PHE A 29 -3.071 7.008 0.901 1.00 0.00 C ATOM 494 CG PHE A 29 -3.984 5.922 0.367 1.00 0.00 C ATOM 495 CD1 PHE A 29 -5.311 5.827 0.825 1.00 0.00 C ATOM 496 CD2 PHE A 29 -3.483 4.963 -0.531 1.00 0.00 C ATOM 497 CE1 PHE A 29 -6.158 4.826 0.322 1.00 0.00 C ATOM 498 CE2 PHE A 29 -4.326 3.952 -1.021 1.00 0.00 C ATOM 499 CZ PHE A 29 -5.664 3.883 -0.597 1.00 0.00 C ATOM 0 H PHE A 29 -2.188 8.126 3.683 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.244 6.405 2.952 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.637 7.935 0.997 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.276 7.194 0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.678 6.524 1.564 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.450 5.004 -0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.189 4.780 0.641 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.945 3.227 -1.725 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.312 3.107 -0.976 1.00 0.00 H new ATOM 509 N ARG A 30 -0.444 5.451 1.522 1.00 0.00 N ATOM 510 CA ARG A 30 0.603 4.446 1.409 1.00 0.00 C ATOM 511 C ARG A 30 0.756 3.596 2.675 1.00 0.00 C ATOM 512 O ARG A 30 0.779 2.368 2.604 1.00 0.00 O ATOM 513 CB ARG A 30 1.906 5.202 1.099 1.00 0.00 C ATOM 514 CG ARG A 30 3.079 4.260 0.818 1.00 0.00 C ATOM 515 CD ARG A 30 4.433 4.979 0.811 1.00 0.00 C ATOM 516 NE ARG A 30 4.427 6.195 -0.018 1.00 0.00 N ATOM 517 CZ ARG A 30 5.488 6.729 -0.651 1.00 0.00 C ATOM 518 NH1 ARG A 30 6.678 6.114 -0.681 1.00 0.00 N ATOM 519 NH2 ARG A 30 5.349 7.904 -1.276 1.00 0.00 N ATOM 0 H ARG A 30 -0.206 6.290 0.994 1.00 0.00 H new ATOM 0 HA ARG A 30 0.347 3.740 0.619 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.750 5.850 0.236 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.157 5.848 1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.095 3.473 1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.926 3.775 -0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.705 5.243 1.833 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.200 4.297 0.443 1.00 0.00 H new ATOM 0 HE ARG A 30 3.535 6.679 -0.123 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.799 5.215 -0.215 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.463 6.545 -1.170 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.448 8.382 -1.268 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.144 8.321 -1.760 1.00 0.00 H new ATOM 533 N LYS A 31 0.885 4.258 3.831 1.00 0.00 N ATOM 534 CA LYS A 31 1.102 3.618 5.115 1.00 0.00 C ATOM 535 C LYS A 31 -0.207 3.070 5.688 1.00 0.00 C ATOM 536 O LYS A 31 -0.223 1.972 6.230 1.00 0.00 O ATOM 537 CB LYS A 31 1.745 4.620 6.074 1.00 0.00 C ATOM 538 CG LYS A 31 2.356 3.905 7.285 1.00 0.00 C ATOM 539 CD LYS A 31 3.093 4.897 8.189 1.00 0.00 C ATOM 540 CE LYS A 31 3.738 4.154 9.364 1.00 0.00 C ATOM 541 NZ LYS A 31 4.477 5.083 10.197 1.00 0.00 N ATOM 0 H LYS A 31 0.839 5.275 3.891 1.00 0.00 H new ATOM 0 HA LYS A 31 1.773 2.770 4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.518 5.184 5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.998 5.339 6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.571 3.404 7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.047 3.133 6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.857 5.424 7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.397 5.649 8.561 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.969 3.656 9.955 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.406 3.378 8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.910 4.569 10.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.222 5.539 9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.830 5.808 10.567 1.00 0.00 H new ATOM 554 N PHE A 32 -1.302 3.827 5.576 1.00 0.00 N ATOM 555 CA PHE A 32 -2.632 3.402 6.021 1.00 0.00 C ATOM 556 C PHE A 32 -2.991 2.020 5.450 1.00 0.00 C ATOM 557 O PHE A 32 -3.517 1.159 6.154 1.00 0.00 O ATOM 558 CB PHE A 32 -3.666 4.453 5.587 1.00 0.00 C ATOM 559 CG PHE A 32 -5.072 4.359 6.162 1.00 0.00 C ATOM 560 CD1 PHE A 32 -5.388 3.515 7.247 1.00 0.00 C ATOM 561 CD2 PHE A 32 -6.054 5.236 5.665 1.00 0.00 C ATOM 562 CE1 PHE A 32 -6.655 3.580 7.850 1.00 0.00 C ATOM 563 CE2 PHE A 32 -7.319 5.305 6.274 1.00 0.00 C ATOM 564 CZ PHE A 32 -7.620 4.479 7.369 1.00 0.00 C ATOM 0 H PHE A 32 -1.290 4.762 5.169 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.634 3.317 7.108 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.268 5.436 5.840 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.747 4.412 4.501 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.652 2.816 7.616 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.834 5.859 4.811 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.887 2.937 8.686 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.061 5.995 5.899 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.591 4.535 7.839 1.00 0.00 H new ATOM 574 N VAL A 33 -2.664 1.812 4.169 1.00 0.00 N ATOM 575 CA VAL A 33 -2.785 0.534 3.482 1.00 0.00 C ATOM 576 C VAL A 33 -1.962 -0.554 4.178 1.00 0.00 C ATOM 577 O VAL A 33 -2.456 -1.665 4.359 1.00 0.00 O ATOM 578 CB VAL A 33 -2.390 0.718 2.008 1.00 0.00 C ATOM 579 CG1 VAL A 33 -2.174 -0.612 1.278 1.00 0.00 C ATOM 580 CG2 VAL A 33 -3.467 1.522 1.271 1.00 0.00 C ATOM 0 H VAL A 33 -2.298 2.553 3.571 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.820 0.195 3.521 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.441 1.255 2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.897 -0.418 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.376 -1.171 1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.094 -1.195 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.178 1.647 0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.417 0.990 1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.573 2.501 1.738 1.00 0.00 H new ATOM 590 N GLN A 34 -0.729 -0.227 4.584 1.00 0.00 N ATOM 591 CA GLN A 34 0.135 -1.119 5.344 1.00 0.00 C ATOM 592 C GLN A 34 -0.551 -1.560 6.635 1.00 0.00 C ATOM 593 O GLN A 34 -0.714 -2.759 6.836 1.00 0.00 O ATOM 594 CB GLN A 34 1.495 -0.450 5.626 1.00 0.00 C ATOM 595 CG GLN A 34 2.589 -1.446 6.030 1.00 0.00 C ATOM 596 CD GLN A 34 3.390 -1.965 4.841 1.00 0.00 C ATOM 597 OE1 GLN A 34 4.602 -2.125 4.946 1.00 0.00 O ATOM 598 NE2 GLN A 34 2.735 -2.201 3.702 1.00 0.00 N ATOM 0 H GLN A 34 -0.304 0.679 4.388 1.00 0.00 H new ATOM 0 HA GLN A 34 0.324 -2.012 4.748 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.817 0.092 4.737 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.372 0.286 6.420 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.267 -0.966 6.736 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.132 -2.289 6.549 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.726 -2.056 3.654 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.243 -2.526 2.880 1.00 0.00 H new ATOM 607 N ILE A 35 -0.947 -0.617 7.500 1.00 0.00 N ATOM 608 CA ILE A 35 -1.518 -0.929 8.810 1.00 0.00 C ATOM 609 C ILE A 35 -2.595 -1.999 8.703 1.00 0.00 C ATOM 610 O ILE A 35 -2.476 -3.039 9.342 1.00 0.00 O ATOM 611 CB ILE A 35 -2.075 0.340 9.488 1.00 0.00 C ATOM 612 CG1 ILE A 35 -1.019 1.445 9.675 1.00 0.00 C ATOM 613 CG2 ILE A 35 -2.722 -0.004 10.841 1.00 0.00 C ATOM 614 CD1 ILE A 35 0.275 0.964 10.335 1.00 0.00 C ATOM 0 H ILE A 35 -0.879 0.382 7.308 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.715 -1.323 9.433 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.831 0.737 8.810 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.781 1.874 8.702 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.448 2.244 10.279 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.108 0.905 11.301 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.540 -0.707 10.685 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.977 -0.454 11.497 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.967 1.801 10.431 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.052 0.562 11.323 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.729 0.186 9.721 1.00 0.00 H new ATOM 626 N HIS A 36 -3.629 -1.750 7.897 1.00 0.00 N ATOM 627 CA HIS A 36 -4.763 -2.652 7.806 1.00 0.00 C ATOM 628 C HIS A 36 -4.379 -3.957 7.113 1.00 0.00 C ATOM 629 O HIS A 36 -4.812 -5.016 7.562 1.00 0.00 O ATOM 630 CB HIS A 36 -5.952 -1.945 7.161 1.00 0.00 C ATOM 631 CG HIS A 36 -6.705 -1.110 8.168 1.00 0.00 C ATOM 632 ND1 HIS A 36 -7.984 -1.472 8.583 1.00 0.00 N ATOM 633 CD2 HIS A 36 -6.307 -0.003 8.875 1.00 0.00 C ATOM 634 CE1 HIS A 36 -8.323 -0.558 9.494 1.00 0.00 C ATOM 635 NE2 HIS A 36 -7.354 0.346 9.703 1.00 0.00 N ATOM 0 H HIS A 36 -3.698 -0.927 7.299 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.076 -2.936 8.811 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -5.602 -1.310 6.347 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.623 -2.684 6.723 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.354 0.500 8.798 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.273 -0.547 10.007 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.385 1.136 10.347 1.00 0.00 H new ATOM 643 N ALA A 37 -3.550 -3.898 6.062 1.00 0.00 N ATOM 644 CA ALA A 37 -3.025 -5.097 5.421 1.00 0.00 C ATOM 645 C ALA A 37 -2.415 -6.046 6.454 1.00 0.00 C ATOM 646 O ALA A 37 -2.886 -7.167 6.633 1.00 0.00 O ATOM 647 CB ALA A 37 -1.979 -4.720 4.367 1.00 0.00 C ATOM 0 H ALA A 37 -3.231 -3.025 5.641 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.852 -5.611 4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.595 -5.625 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.438 -4.084 3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.159 -4.183 4.844 1.00 0.00 H new ATOM 653 N ILE A 38 -1.376 -5.560 7.136 1.00 0.00 N ATOM 654 CA ILE A 38 -0.686 -6.232 8.225 1.00 0.00 C ATOM 655 C ILE A 38 -1.694 -6.765 9.247 1.00 0.00 C ATOM 656 O ILE A 38 -1.638 -7.944 9.590 1.00 0.00 O ATOM 657 CB ILE A 38 0.354 -5.243 8.800 1.00 0.00 C ATOM 658 CG1 ILE A 38 1.697 -5.358 8.047 1.00 0.00 C ATOM 659 CG2 ILE A 38 0.614 -5.410 10.302 1.00 0.00 C ATOM 660 CD1 ILE A 38 1.597 -5.260 6.518 1.00 0.00 C ATOM 0 H ILE A 38 -0.979 -4.644 6.930 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.146 -7.116 7.885 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.086 -4.256 8.656 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.364 -4.573 8.403 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.160 -6.310 8.305 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.355 -4.679 10.626 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.314 -5.254 10.852 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.986 -6.416 10.497 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.592 -5.352 6.082 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.961 -6.062 6.143 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.168 -4.297 6.242 1.00 0.00 H new ATOM 672 N ARG A 39 -2.622 -5.911 9.705 1.00 0.00 N ATOM 673 CA ARG A 39 -3.607 -6.250 10.729 1.00 0.00 C ATOM 674 C ARG A 39 -4.354 -7.520 10.328 1.00 0.00 C ATOM 675 O ARG A 39 -4.451 -8.471 11.103 1.00 0.00 O ATOM 676 CB ARG A 39 -4.556 -5.050 10.921 1.00 0.00 C ATOM 677 CG ARG A 39 -5.197 -4.905 12.308 1.00 0.00 C ATOM 678 CD ARG A 39 -6.518 -5.658 12.495 1.00 0.00 C ATOM 679 NE ARG A 39 -6.302 -7.099 12.641 1.00 0.00 N ATOM 680 CZ ARG A 39 -7.259 -8.029 12.775 1.00 0.00 C ATOM 681 NH1 ARG A 39 -8.546 -7.680 12.909 1.00 0.00 N ATOM 682 NH2 ARG A 39 -6.913 -9.323 12.762 1.00 0.00 N ATOM 0 H ARG A 39 -2.706 -4.953 9.366 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.118 -6.453 11.682 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.002 -4.137 10.703 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.353 -5.123 10.181 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.488 -5.256 13.058 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.369 -3.846 12.503 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.034 -5.276 13.376 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.168 -5.472 11.640 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.336 -7.425 12.641 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.810 -6.695 12.910 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.262 -8.400 13.010 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.934 -9.588 12.651 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.628 -10.043 12.863 1.00 0.00 H new ATOM 696 N LEU A 40 -4.868 -7.511 9.098 1.00 0.00 N ATOM 697 CA LEU A 40 -5.752 -8.531 8.555 1.00 0.00 C ATOM 698 C LEU A 40 -5.004 -9.697 7.896 1.00 0.00 C ATOM 699 O LEU A 40 -5.651 -10.589 7.349 1.00 0.00 O ATOM 700 CB LEU A 40 -6.716 -7.858 7.573 1.00 0.00 C ATOM 701 CG LEU A 40 -7.567 -6.772 8.253 1.00 0.00 C ATOM 702 CD1 LEU A 40 -8.273 -5.978 7.161 1.00 0.00 C ATOM 703 CD2 LEU A 40 -8.599 -7.371 9.217 1.00 0.00 C ATOM 0 H LEU A 40 -4.670 -6.764 8.432 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.303 -8.981 9.380 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.149 -7.414 6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.371 -8.611 7.135 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.916 -6.129 8.845 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.885 -5.199 7.616 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.531 -5.521 6.506 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.908 -6.645 6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.178 -6.569 9.675 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.268 -8.033 8.668 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.085 -7.937 9.994 1.00 0.00 H new ATOM 715 N GLY A 41 -3.665 -9.718 7.952 1.00 0.00 N ATOM 716 CA GLY A 41 -2.863 -10.796 7.389 1.00 0.00 C ATOM 717 C GLY A 41 -2.980 -10.843 5.866 1.00 0.00 C ATOM 718 O GLY A 41 -3.379 -11.860 5.305 1.00 0.00 O ATOM 0 H GLY A 41 -3.113 -8.982 8.392 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.819 -10.660 7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.185 -11.749 7.809 1.00 0.00 H new ATOM 722 N ILE A 42 -2.623 -9.732 5.212 1.00 0.00 N ATOM 723 CA ILE A 42 -2.662 -9.544 3.769 1.00 0.00 C ATOM 724 C ILE A 42 -1.221 -9.425 3.274 1.00 0.00 C ATOM 725 O ILE A 42 -0.386 -8.812 3.938 1.00 0.00 O ATOM 726 CB ILE A 42 -3.461 -8.265 3.455 1.00 0.00 C ATOM 727 CG1 ILE A 42 -4.884 -8.305 4.027 1.00 0.00 C ATOM 728 CG2 ILE A 42 -3.525 -7.870 1.977 1.00 0.00 C ATOM 729 CD1 ILE A 42 -5.793 -9.397 3.457 1.00 0.00 C ATOM 0 H ILE A 42 -2.284 -8.905 5.703 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.148 -10.383 3.270 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.879 -7.492 3.957 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.819 -8.438 5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.354 -7.337 3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.111 -6.957 1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.516 -7.700 1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.994 -8.671 1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.774 -9.337 3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.898 -9.258 2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.355 -10.375 3.655 1.00 0.00 H new ATOM 741 N LYS A 43 -0.948 -9.991 2.094 1.00 0.00 N ATOM 742 CA LYS A 43 0.317 -9.835 1.374 1.00 0.00 C ATOM 743 C LYS A 43 0.093 -8.892 0.197 1.00 0.00 C ATOM 744 O LYS A 43 -1.046 -8.673 -0.196 1.00 0.00 O ATOM 745 CB LYS A 43 0.824 -11.179 0.854 1.00 0.00 C ATOM 746 CG LYS A 43 0.917 -12.237 1.960 1.00 0.00 C ATOM 747 CD LYS A 43 1.565 -13.519 1.419 1.00 0.00 C ATOM 748 CE LYS A 43 1.725 -14.586 2.510 1.00 0.00 C ATOM 749 NZ LYS A 43 0.432 -15.058 2.968 1.00 0.00 N ATOM 0 H LYS A 43 -1.617 -10.584 1.603 1.00 0.00 H new ATOM 0 HA LYS A 43 1.064 -9.430 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.158 -11.536 0.069 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.806 -11.043 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.502 -11.850 2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.078 -12.459 2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.956 -13.918 0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.542 -13.282 0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.306 -15.423 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.283 -14.172 3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.563 -15.881 3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.048 -14.300 3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.147 -15.332 2.149 1.00 0.00 H new ATOM 762 N GLY A 44 1.156 -8.337 -0.387 1.00 0.00 N ATOM 763 CA GLY A 44 1.000 -7.421 -1.508 1.00 0.00 C ATOM 764 C GLY A 44 2.104 -6.378 -1.557 1.00 0.00 C ATOM 765 O GLY A 44 3.224 -6.648 -1.133 1.00 0.00 O ATOM 0 H GLY A 44 2.121 -8.505 -0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.996 -7.987 -2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.034 -6.921 -1.435 1.00 0.00 H new ATOM 769 N TYR A 45 1.785 -5.183 -2.076 1.00 0.00 N ATOM 770 CA TYR A 45 2.733 -4.082 -2.134 1.00 0.00 C ATOM 771 C TYR A 45 2.014 -2.791 -2.533 1.00 0.00 C ATOM 772 O TYR A 45 1.087 -2.820 -3.343 1.00 0.00 O ATOM 773 CB TYR A 45 3.858 -4.409 -3.123 1.00 0.00 C ATOM 774 CG TYR A 45 5.105 -3.560 -3.029 1.00 0.00 C ATOM 775 CD1 TYR A 45 6.091 -3.870 -2.074 1.00 0.00 C ATOM 776 CD2 TYR A 45 5.395 -2.643 -4.052 1.00 0.00 C ATOM 777 CE1 TYR A 45 7.331 -3.210 -2.100 1.00 0.00 C ATOM 778 CE2 TYR A 45 6.650 -2.015 -4.103 1.00 0.00 C ATOM 779 CZ TYR A 45 7.610 -2.279 -3.112 1.00 0.00 C ATOM 780 OH TYR A 45 8.818 -1.649 -3.143 1.00 0.00 O ATOM 0 H TYR A 45 0.867 -4.963 -2.462 1.00 0.00 H new ATOM 0 HA TYR A 45 3.175 -3.937 -1.148 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.143 -5.452 -2.983 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.460 -4.321 -4.134 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.894 -4.617 -1.319 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.651 -2.420 -4.802 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.070 -3.419 -1.341 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.877 -1.328 -4.905 1.00 0.00 H new ATOM 0 HH TYR A 45 8.980 -1.297 -4.043 1.00 0.00 H new ATOM 790 N ALA A 46 2.442 -1.667 -1.948 1.00 0.00 N ATOM 791 CA ALA A 46 1.840 -0.350 -2.151 1.00 0.00 C ATOM 792 C ALA A 46 2.746 0.474 -3.058 1.00 0.00 C ATOM 793 O ALA A 46 3.559 1.259 -2.574 1.00 0.00 O ATOM 794 CB ALA A 46 1.611 0.354 -0.803 1.00 0.00 C ATOM 0 H ALA A 46 3.235 -1.650 -1.306 1.00 0.00 H new ATOM 0 HA ALA A 46 0.866 -0.461 -2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.162 1.332 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.943 -0.248 -0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.565 0.477 -0.290 1.00 0.00 H new ATOM 800 N LYS A 47 2.617 0.272 -4.373 1.00 0.00 N ATOM 801 CA LYS A 47 3.513 0.864 -5.355 1.00 0.00 C ATOM 802 C LYS A 47 2.958 2.213 -5.809 1.00 0.00 C ATOM 803 O LYS A 47 2.110 2.315 -6.696 1.00 0.00 O ATOM 804 CB LYS A 47 3.870 -0.158 -6.444 1.00 0.00 C ATOM 805 CG LYS A 47 4.234 0.407 -7.819 1.00 0.00 C ATOM 806 CD LYS A 47 4.657 -0.709 -8.784 1.00 0.00 C ATOM 807 CE LYS A 47 6.115 -1.135 -8.583 1.00 0.00 C ATOM 808 NZ LYS A 47 6.459 -2.158 -9.553 1.00 0.00 N ATOM 0 H LYS A 47 1.885 -0.309 -4.781 1.00 0.00 H new ATOM 0 HA LYS A 47 4.483 1.110 -4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.709 -0.756 -6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.025 -0.835 -6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.380 0.944 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.045 1.128 -7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.007 -1.572 -8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.519 -0.369 -9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.775 -0.275 -8.696 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.258 -1.515 -7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.449 -2.447 -9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.837 -2.981 -9.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.338 -1.780 -10.514 1.00 0.00 H new ATOM 821 N ASN A 48 3.442 3.253 -5.126 1.00 0.00 N ATOM 822 CA ASN A 48 3.065 4.641 -5.253 1.00 0.00 C ATOM 823 C ASN A 48 3.860 5.315 -6.375 1.00 0.00 C ATOM 824 O ASN A 48 4.660 6.212 -6.123 1.00 0.00 O ATOM 825 CB ASN A 48 3.267 5.288 -3.875 1.00 0.00 C ATOM 826 CG ASN A 48 4.590 4.906 -3.205 1.00 0.00 C ATOM 827 OD1 ASN A 48 4.595 4.094 -2.284 1.00 0.00 O ATOM 828 ND2 ASN A 48 5.711 5.445 -3.680 1.00 0.00 N ATOM 0 H ASN A 48 4.164 3.124 -4.417 1.00 0.00 H new ATOM 0 HA ASN A 48 2.020 4.755 -5.542 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.224 6.372 -3.982 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.443 4.999 -3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.612 5.186 -3.277 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.669 6.117 -4.446 1.00 0.00 H new ATOM 835 N LEU A 49 3.596 4.894 -7.619 1.00 0.00 N ATOM 836 CA LEU A 49 4.207 5.390 -8.850 1.00 0.00 C ATOM 837 C LEU A 49 4.181 6.922 -8.894 1.00 0.00 C ATOM 838 O LEU A 49 3.119 7.491 -9.138 1.00 0.00 O ATOM 839 CB LEU A 49 3.405 4.846 -10.039 1.00 0.00 C ATOM 840 CG LEU A 49 3.436 3.318 -10.174 1.00 0.00 C ATOM 841 CD1 LEU A 49 2.329 2.891 -11.140 1.00 0.00 C ATOM 842 CD2 LEU A 49 4.790 2.811 -10.686 1.00 0.00 C ATOM 0 H LEU A 49 2.913 4.158 -7.799 1.00 0.00 H new ATOM 0 HA LEU A 49 5.245 5.059 -8.892 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.369 5.170 -9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.793 5.288 -10.957 1.00 0.00 H new ATOM 0 HG LEU A 49 3.280 2.883 -9.187 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.338 1.806 -11.247 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.362 3.209 -10.749 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.497 3.353 -12.113 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.765 1.724 -10.766 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.993 3.242 -11.666 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.576 3.106 -9.990 1.00 0.00 H new ATOM 854 N PRO A 50 5.305 7.622 -8.661 1.00 0.00 N ATOM 855 CA PRO A 50 5.281 9.047 -8.354 1.00 0.00 C ATOM 856 C PRO A 50 5.185 9.936 -9.607 1.00 0.00 C ATOM 857 O PRO A 50 5.679 11.062 -9.609 1.00 0.00 O ATOM 858 CB PRO A 50 6.559 9.271 -7.547 1.00 0.00 C ATOM 859 CG PRO A 50 7.535 8.297 -8.207 1.00 0.00 C ATOM 860 CD PRO A 50 6.646 7.085 -8.483 1.00 0.00 C ATOM 0 HA PRO A 50 4.390 9.332 -7.795 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.906 10.302 -7.613 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.416 9.050 -6.489 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.961 8.706 -9.123 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.369 8.049 -7.550 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.976 6.550 -9.373 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.679 6.377 -7.655 1.00 0.00 H new ATOM 868 N ASP A 51 4.496 9.453 -10.646 1.00 0.00 N ATOM 869 CA ASP A 51 4.015 10.240 -11.772 1.00 0.00 C ATOM 870 C ASP A 51 2.705 9.606 -12.255 1.00 0.00 C ATOM 871 O ASP A 51 2.493 9.405 -13.449 1.00 0.00 O ATOM 872 CB ASP A 51 5.100 10.305 -12.860 1.00 0.00 C ATOM 873 CG ASP A 51 4.725 11.237 -14.011 1.00 0.00 C ATOM 874 OD1 ASP A 51 4.689 10.799 -15.157 1.00 0.00 O ATOM 875 OD2 ASP A 51 4.459 12.531 -13.673 1.00 0.00 O ATOM 0 H ASP A 51 4.252 8.466 -10.723 1.00 0.00 H new ATOM 0 HA ASP A 51 3.809 11.273 -11.490 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.036 10.643 -12.415 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.277 9.303 -13.252 1.00 0.00 H new ATOM 881 N GLY A 52 1.828 9.261 -11.302 1.00 0.00 N ATOM 882 CA GLY A 52 0.580 8.572 -11.538 1.00 0.00 C ATOM 883 C GLY A 52 -0.147 8.422 -10.206 1.00 0.00 C ATOM 884 O GLY A 52 0.011 9.252 -9.311 1.00 0.00 O ATOM 0 H GLY A 52 1.986 9.467 -10.316 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.034 9.131 -12.244 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.765 7.594 -11.981 1.00 0.00 H new ATOM 888 N SER A 53 -0.930 7.348 -10.088 1.00 0.00 N ATOM 889 CA SER A 53 -1.716 7.021 -8.906 1.00 0.00 C ATOM 890 C SER A 53 -1.290 5.654 -8.365 1.00 0.00 C ATOM 891 O SER A 53 -0.811 4.806 -9.120 1.00 0.00 O ATOM 892 CB SER A 53 -3.211 7.051 -9.233 1.00 0.00 C ATOM 893 OG SER A 53 -3.556 8.135 -10.072 1.00 0.00 O ATOM 0 H SER A 53 -1.035 6.664 -10.837 1.00 0.00 H new ATOM 0 HA SER A 53 -1.533 7.768 -8.133 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.493 6.116 -9.717 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.782 7.116 -8.307 1.00 0.00 H new ATOM 0 HG SER A 53 -3.826 8.900 -9.523 1.00 0.00 H new ATOM 899 N VAL A 54 -1.436 5.454 -7.051 1.00 0.00 N ATOM 900 CA VAL A 54 -0.893 4.305 -6.339 1.00 0.00 C ATOM 901 C VAL A 54 -1.651 3.024 -6.684 1.00 0.00 C ATOM 902 O VAL A 54 -2.874 2.966 -6.554 1.00 0.00 O ATOM 903 CB VAL A 54 -0.855 4.574 -4.819 1.00 0.00 C ATOM 904 CG1 VAL A 54 -2.224 4.915 -4.216 1.00 0.00 C ATOM 905 CG2 VAL A 54 -0.277 3.382 -4.041 1.00 0.00 C ATOM 0 H VAL A 54 -1.944 6.100 -6.447 1.00 0.00 H new ATOM 0 HA VAL A 54 0.135 4.153 -6.668 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.208 5.445 -4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.117 5.091 -3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.619 5.812 -4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.911 4.085 -4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.268 3.613 -2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.893 2.500 -4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.741 3.186 -4.378 1.00 0.00 H new ATOM 915 N GLU A 55 -0.905 1.992 -7.100 1.00 0.00 N ATOM 916 CA GLU A 55 -1.423 0.642 -7.224 1.00 0.00 C ATOM 917 C GLU A 55 -1.176 -0.120 -5.924 1.00 0.00 C ATOM 918 O GLU A 55 -0.049 -0.171 -5.433 1.00 0.00 O ATOM 919 CB GLU A 55 -0.819 -0.095 -8.428 1.00 0.00 C ATOM 920 CG GLU A 55 0.702 -0.004 -8.563 1.00 0.00 C ATOM 921 CD GLU A 55 1.204 -1.006 -9.598 1.00 0.00 C ATOM 922 OE1 GLU A 55 1.512 -0.615 -10.722 1.00 0.00 O ATOM 923 OE2 GLU A 55 1.267 -2.304 -9.188 1.00 0.00 O ATOM 0 H GLU A 55 0.078 2.081 -7.359 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.497 0.699 -7.404 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.098 -1.147 -8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.271 0.301 -9.338 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.988 1.006 -8.857 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.172 -0.201 -7.599 1.00 0.00 H new ATOM 931 N VAL A 56 -2.241 -0.712 -5.377 1.00 0.00 N ATOM 932 CA VAL A 56 -2.199 -1.534 -4.181 1.00 0.00 C ATOM 933 C VAL A 56 -2.522 -2.967 -4.594 1.00 0.00 C ATOM 934 O VAL A 56 -3.691 -3.323 -4.741 1.00 0.00 O ATOM 935 CB VAL A 56 -3.199 -0.994 -3.149 1.00 0.00 C ATOM 936 CG1 VAL A 56 -3.165 -1.862 -1.888 1.00 0.00 C ATOM 937 CG2 VAL A 56 -2.855 0.450 -2.761 1.00 0.00 C ATOM 0 H VAL A 56 -3.178 -0.626 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.214 -1.511 -3.715 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.193 -1.019 -3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.877 -1.474 -1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.432 -2.887 -2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.162 -1.844 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.577 0.812 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.854 0.482 -2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.889 1.083 -3.648 1.00 0.00 H new ATOM 947 N VAL A 57 -1.481 -3.786 -4.782 1.00 0.00 N ATOM 948 CA VAL A 57 -1.622 -5.168 -5.225 1.00 0.00 C ATOM 949 C VAL A 57 -1.776 -6.088 -4.009 1.00 0.00 C ATOM 950 O VAL A 57 -0.955 -6.962 -3.753 1.00 0.00 O ATOM 951 CB VAL A 57 -0.494 -5.514 -6.217 1.00 0.00 C ATOM 952 CG1 VAL A 57 0.930 -5.382 -5.656 1.00 0.00 C ATOM 953 CG2 VAL A 57 -0.698 -6.895 -6.845 1.00 0.00 C ATOM 0 H VAL A 57 -0.513 -3.502 -4.629 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.538 -5.323 -5.796 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.574 -4.750 -6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.652 -5.647 -6.429 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.101 -4.354 -5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.049 -6.051 -4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.117 -7.103 -7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.711 -7.653 -6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.646 -6.914 -7.383 1.00 0.00 H new ATOM 963 N ALA A 58 -2.860 -5.868 -3.259 1.00 0.00 N ATOM 964 CA ALA A 58 -3.171 -6.568 -2.018 1.00 0.00 C ATOM 965 C ALA A 58 -3.702 -7.975 -2.290 1.00 0.00 C ATOM 966 O ALA A 58 -4.183 -8.252 -3.384 1.00 0.00 O ATOM 967 CB ALA A 58 -4.200 -5.746 -1.241 1.00 0.00 C ATOM 0 H ALA A 58 -3.565 -5.175 -3.511 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.260 -6.677 -1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.444 -6.256 -0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.787 -4.762 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.103 -5.633 -1.840 1.00 0.00 H new ATOM 973 N GLU A 59 -3.573 -8.881 -1.314 1.00 0.00 N ATOM 974 CA GLU A 59 -3.891 -10.285 -1.523 1.00 0.00 C ATOM 975 C GLU A 59 -4.454 -10.899 -0.241 1.00 0.00 C ATOM 976 O GLU A 59 -3.761 -10.894 0.776 1.00 0.00 O ATOM 977 CB GLU A 59 -2.614 -11.060 -1.892 1.00 0.00 C ATOM 978 CG GLU A 59 -1.815 -10.474 -3.060 1.00 0.00 C ATOM 979 CD GLU A 59 -0.558 -11.298 -3.315 1.00 0.00 C ATOM 980 OE1 GLU A 59 0.433 -11.120 -2.611 1.00 0.00 O ATOM 981 OE2 GLU A 59 -0.624 -12.205 -4.331 1.00 0.00 O ATOM 0 H GLU A 59 -3.249 -8.659 -0.372 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.626 -10.350 -2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.968 -11.104 -1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.888 -12.086 -2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.433 -10.455 -3.958 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.542 -9.442 -2.840 1.00 0.00 H new ATOM 989 N GLY A 60 -5.662 -11.469 -0.278 1.00 0.00 N ATOM 990 CA GLY A 60 -6.223 -12.125 0.892 1.00 0.00 C ATOM 991 C GLY A 60 -7.371 -13.066 0.547 1.00 0.00 C ATOM 992 O GLY A 60 -7.936 -13.014 -0.546 1.00 0.00 O ATOM 0 H GLY A 60 -6.262 -11.486 -1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.439 -12.687 1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.577 -11.369 1.592 1.00 0.00 H new ATOM 996 N TYR A 61 -7.712 -13.922 1.517 1.00 0.00 N ATOM 997 CA TYR A 61 -8.938 -14.695 1.535 1.00 0.00 C ATOM 998 C TYR A 61 -10.125 -13.730 1.609 1.00 0.00 C ATOM 999 O TYR A 61 -9.950 -12.554 1.919 1.00 0.00 O ATOM 1000 CB TYR A 61 -8.888 -15.641 2.735 1.00 0.00 C ATOM 1001 CG TYR A 61 -7.978 -16.845 2.581 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -8.469 -18.017 1.976 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -6.695 -16.844 3.162 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -7.707 -19.197 2.004 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -5.915 -18.013 3.148 1.00 0.00 C ATOM 1006 CZ TYR A 61 -6.421 -19.191 2.571 1.00 0.00 C ATOM 1007 OH TYR A 61 -5.664 -20.326 2.556 1.00 0.00 O ATOM 0 H TYR A 61 -7.119 -14.094 2.329 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.052 -15.294 0.632 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -8.567 -15.074 3.609 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -9.899 -15.995 2.939 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.433 -18.009 1.489 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.310 -15.944 3.619 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.110 -20.109 1.590 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.926 -18.006 3.581 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.802 -20.150 2.987 1.00 0.00 H new ATOM 1017 N GLU A 62 -11.334 -14.203 1.288 1.00 0.00 N ATOM 1018 CA GLU A 62 -12.460 -13.309 1.043 1.00 0.00 C ATOM 1019 C GLU A 62 -13.107 -12.773 2.320 1.00 0.00 C ATOM 1020 O GLU A 62 -13.690 -11.689 2.287 1.00 0.00 O ATOM 1021 CB GLU A 62 -13.493 -13.949 0.126 1.00 0.00 C ATOM 1022 CG GLU A 62 -12.885 -14.341 -1.228 1.00 0.00 C ATOM 1023 CD GLU A 62 -13.957 -14.796 -2.212 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -14.103 -14.189 -3.271 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -14.695 -15.878 -1.833 1.00 0.00 O ATOM 0 H GLU A 62 -11.553 -15.195 1.193 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.041 -12.441 0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.909 -14.834 0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.318 -13.255 -0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.344 -13.491 -1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.159 -15.141 -1.084 1.00 0.00 H new ATOM 1033 N GLU A 63 -12.980 -13.479 3.448 1.00 0.00 N ATOM 1034 CA GLU A 63 -13.356 -12.926 4.732 1.00 0.00 C ATOM 1035 C GLU A 63 -12.470 -11.718 5.060 1.00 0.00 C ATOM 1036 O GLU A 63 -12.983 -10.669 5.444 1.00 0.00 O ATOM 1037 CB GLU A 63 -13.393 -14.034 5.796 1.00 0.00 C ATOM 1038 CG GLU A 63 -12.180 -14.973 5.918 1.00 0.00 C ATOM 1039 CD GLU A 63 -10.921 -14.292 6.439 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -9.891 -14.352 5.771 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -11.032 -13.642 7.632 1.00 0.00 O ATOM 0 H GLU A 63 -12.619 -14.432 3.487 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.372 -12.532 4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.543 -13.558 6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.271 -14.650 5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.437 -15.797 6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.969 -15.406 4.940 1.00 0.00 H new ATOM 1049 N ALA A 64 -11.156 -11.831 4.828 1.00 0.00 N ATOM 1050 CA ALA A 64 -10.210 -10.742 5.019 1.00 0.00 C ATOM 1051 C ALA A 64 -10.263 -9.717 3.885 1.00 0.00 C ATOM 1052 O ALA A 64 -9.732 -8.617 4.047 1.00 0.00 O ATOM 1053 CB ALA A 64 -8.797 -11.306 5.181 1.00 0.00 C ATOM 0 H ALA A 64 -10.722 -12.694 4.499 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.493 -10.212 5.928 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.092 -10.487 5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.766 -11.966 6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.525 -11.867 4.287 1.00 0.00 H new ATOM 1059 N LEU A 65 -10.900 -10.046 2.751 1.00 0.00 N ATOM 1060 CA LEU A 65 -11.005 -9.119 1.638 1.00 0.00 C ATOM 1061 C LEU A 65 -11.888 -7.949 2.050 1.00 0.00 C ATOM 1062 O LEU A 65 -11.405 -6.825 2.117 1.00 0.00 O ATOM 1063 CB LEU A 65 -11.509 -9.829 0.387 1.00 0.00 C ATOM 1064 CG LEU A 65 -11.553 -8.920 -0.838 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -10.155 -8.474 -1.284 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -12.219 -9.711 -1.957 1.00 0.00 C ATOM 0 H LEU A 65 -11.347 -10.949 2.590 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.021 -8.725 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.865 -10.683 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.508 -10.222 0.577 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.107 -8.014 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.241 -7.829 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.673 -7.926 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.557 -9.350 -1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.271 -9.096 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.636 -10.609 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -13.226 -9.995 -1.652 1.00 0.00 H new ATOM 1078 N SER A 66 -13.162 -8.217 2.352 1.00 0.00 N ATOM 1079 CA SER A 66 -14.126 -7.214 2.789 1.00 0.00 C ATOM 1080 C SER A 66 -13.594 -6.334 3.922 1.00 0.00 C ATOM 1081 O SER A 66 -13.786 -5.122 3.885 1.00 0.00 O ATOM 1082 CB SER A 66 -15.422 -7.919 3.207 1.00 0.00 C ATOM 1083 OG SER A 66 -15.191 -8.829 4.264 1.00 0.00 O ATOM 0 H SER A 66 -13.555 -9.157 2.297 1.00 0.00 H new ATOM 0 HA SER A 66 -14.318 -6.542 1.952 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.159 -7.178 3.516 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.843 -8.449 2.353 1.00 0.00 H new ATOM 0 HG SER A 66 -16.034 -9.263 4.512 1.00 0.00 H new ATOM 1089 N LYS A 67 -12.916 -6.936 4.906 1.00 0.00 N ATOM 1090 CA LYS A 67 -12.336 -6.239 6.042 1.00 0.00 C ATOM 1091 C LYS A 67 -11.273 -5.224 5.612 1.00 0.00 C ATOM 1092 O LYS A 67 -11.225 -4.126 6.168 1.00 0.00 O ATOM 1093 CB LYS A 67 -11.794 -7.279 7.022 1.00 0.00 C ATOM 1094 CG LYS A 67 -12.959 -8.051 7.652 1.00 0.00 C ATOM 1095 CD LYS A 67 -12.423 -9.260 8.418 1.00 0.00 C ATOM 1096 CE LYS A 67 -13.533 -10.010 9.166 1.00 0.00 C ATOM 1097 NZ LYS A 67 -14.450 -10.634 8.231 1.00 0.00 N ATOM 0 H LYS A 67 -12.756 -7.943 4.928 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.106 -5.650 6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.126 -7.968 6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.207 -6.790 7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.517 -7.400 8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.652 -8.378 6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.932 -9.940 7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.666 -8.931 9.130 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.094 -10.769 9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.077 -9.318 9.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.678 -11.595 8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.323 -10.072 8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.007 -10.683 7.291 1.00 0.00 H new ATOM 1110 N LEU A 68 -10.447 -5.555 4.611 1.00 0.00 N ATOM 1111 CA LEU A 68 -9.523 -4.600 4.014 1.00 0.00 C ATOM 1112 C LEU A 68 -10.310 -3.571 3.201 1.00 0.00 C ATOM 1113 O LEU A 68 -10.163 -2.372 3.418 1.00 0.00 O ATOM 1114 CB LEU A 68 -8.467 -5.340 3.181 1.00 0.00 C ATOM 1115 CG LEU A 68 -7.667 -4.439 2.224 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -6.997 -3.247 2.918 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -6.575 -5.281 1.563 1.00 0.00 C ATOM 0 H LEU A 68 -10.405 -6.487 4.199 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.984 -4.057 4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.772 -5.839 3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.961 -6.119 2.600 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.377 -4.035 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.451 -2.657 2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.758 -2.625 3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.304 -3.610 3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.998 -4.657 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.915 -5.688 2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.033 -6.099 1.007 1.00 0.00 H new ATOM 1129 N LEU A 69 -11.128 -4.025 2.251 1.00 0.00 N ATOM 1130 CA LEU A 69 -11.814 -3.147 1.318 1.00 0.00 C ATOM 1131 C LEU A 69 -12.552 -2.018 2.046 1.00 0.00 C ATOM 1132 O LEU A 69 -12.334 -0.847 1.743 1.00 0.00 O ATOM 1133 CB LEU A 69 -12.787 -3.980 0.461 1.00 0.00 C ATOM 1134 CG LEU A 69 -12.291 -4.291 -0.962 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -12.225 -3.038 -1.843 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -10.941 -5.013 -0.962 1.00 0.00 C ATOM 0 H LEU A 69 -11.330 -5.015 2.111 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.074 -2.676 0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.987 -4.921 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.735 -3.447 0.392 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.032 -4.965 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.869 -3.310 -2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.218 -2.596 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.540 -2.316 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.634 -5.210 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.194 -4.387 -0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.033 -5.956 -0.423 1.00 0.00 H new ATOM 1148 N GLU A 70 -13.405 -2.376 3.016 1.00 0.00 N ATOM 1149 CA GLU A 70 -14.264 -1.438 3.725 1.00 0.00 C ATOM 1150 C GLU A 70 -13.461 -0.373 4.481 1.00 0.00 C ATOM 1151 O GLU A 70 -13.858 0.789 4.484 1.00 0.00 O ATOM 1152 CB GLU A 70 -15.259 -2.197 4.614 1.00 0.00 C ATOM 1153 CG GLU A 70 -14.646 -2.755 5.903 1.00 0.00 C ATOM 1154 CD GLU A 70 -15.647 -3.648 6.628 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -15.581 -4.867 6.500 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -16.580 -3.000 7.384 1.00 0.00 O ATOM 0 H GLU A 70 -13.514 -3.341 3.329 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.847 -0.882 2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.080 -1.529 4.874 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.687 -3.020 4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.746 -3.324 5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.344 -1.934 6.554 1.00 0.00 H new ATOM 1164 N ARG A 71 -12.316 -0.753 5.070 1.00 0.00 N ATOM 1165 CA ARG A 71 -11.301 0.162 5.599 1.00 0.00 C ATOM 1166 C ARG A 71 -11.048 1.313 4.626 1.00 0.00 C ATOM 1167 O ARG A 71 -11.042 2.474 5.028 1.00 0.00 O ATOM 1168 CB ARG A 71 -10.032 -0.632 5.953 1.00 0.00 C ATOM 1169 CG ARG A 71 -8.705 -0.097 5.397 1.00 0.00 C ATOM 1170 CD ARG A 71 -8.336 1.250 6.025 1.00 0.00 C ATOM 1171 NE ARG A 71 -8.203 2.344 5.049 1.00 0.00 N ATOM 1172 CZ ARG A 71 -7.268 2.473 4.092 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -6.350 1.522 3.881 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -7.268 3.560 3.311 1.00 0.00 N ATOM 0 H ARG A 71 -12.067 -1.734 5.193 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.658 0.626 6.518 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.952 -0.678 7.039 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.161 -1.655 5.599 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.911 -0.819 5.589 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.781 0.013 4.315 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.097 1.519 6.757 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.396 1.143 6.567 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.899 3.088 5.105 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.350 0.677 4.452 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.650 1.642 3.149 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.974 4.284 3.444 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.562 3.665 2.583 1.00 0.00 H new ATOM 1188 N ILE A 72 -10.834 0.979 3.353 1.00 0.00 N ATOM 1189 CA ILE A 72 -10.498 1.948 2.321 1.00 0.00 C ATOM 1190 C ILE A 72 -11.710 2.828 2.004 1.00 0.00 C ATOM 1191 O ILE A 72 -11.587 4.050 2.042 1.00 0.00 O ATOM 1192 CB ILE A 72 -9.889 1.280 1.075 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -8.772 0.288 1.452 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -9.270 2.365 0.186 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -8.265 -0.538 0.267 1.00 0.00 C ATOM 0 H ILE A 72 -10.891 0.020 3.011 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.716 2.603 2.704 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.684 0.740 0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.937 0.840 1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.141 -0.387 2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.835 1.904 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.042 3.073 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.492 2.890 0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.480 -1.215 0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.088 -1.117 -0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.865 0.129 -0.497 1.00 0.00 H new ATOM 1207 N LYS A 73 -12.870 2.231 1.699 1.00 0.00 N ATOM 1208 CA LYS A 73 -14.063 2.999 1.353 1.00 0.00 C ATOM 1209 C LYS A 73 -14.428 3.989 2.467 1.00 0.00 C ATOM 1210 O LYS A 73 -14.644 5.168 2.196 1.00 0.00 O ATOM 1211 CB LYS A 73 -15.250 2.066 1.067 1.00 0.00 C ATOM 1212 CG LYS A 73 -15.286 1.494 -0.362 1.00 0.00 C ATOM 1213 CD LYS A 73 -14.338 0.318 -0.618 1.00 0.00 C ATOM 1214 CE LYS A 73 -13.002 0.729 -1.255 1.00 0.00 C ATOM 1215 NZ LYS A 73 -13.187 1.048 -2.656 1.00 0.00 N ATOM 0 H LYS A 73 -13.003 1.220 1.686 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.838 3.566 0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.223 1.238 1.775 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.176 2.611 1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.304 1.174 -0.582 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.045 2.294 -1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.139 -0.189 0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.834 -0.402 -1.269 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.592 1.592 -0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.279 -0.080 -1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.260 1.192 -3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.682 0.265 -3.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.752 1.917 -2.743 1.00 0.00 H new ATOM 1228 N GLN A 74 -14.494 3.503 3.713 1.00 0.00 N ATOM 1229 CA GLN A 74 -14.830 4.297 4.890 1.00 0.00 C ATOM 1230 C GLN A 74 -13.717 5.290 5.236 1.00 0.00 C ATOM 1231 O GLN A 74 -14.008 6.403 5.669 1.00 0.00 O ATOM 1232 CB GLN A 74 -15.098 3.374 6.090 1.00 0.00 C ATOM 1233 CG GLN A 74 -16.319 2.461 5.894 1.00 0.00 C ATOM 1234 CD GLN A 74 -17.639 3.228 5.808 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -17.769 4.326 6.345 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -18.632 2.647 5.133 1.00 0.00 N ATOM 0 H GLN A 74 -14.310 2.524 3.930 1.00 0.00 H new ATOM 0 HA GLN A 74 -15.730 4.867 4.660 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.217 2.758 6.269 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -15.248 3.983 6.982 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.186 1.878 4.983 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.371 1.753 6.721 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -18.489 1.735 4.700 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -19.534 3.115 5.050 1.00 0.00 H new ATOM 1245 N GLY A 75 -12.454 4.885 5.053 1.00 0.00 N ATOM 1246 CA GLY A 75 -11.269 5.683 5.326 1.00 0.00 C ATOM 1247 C GLY A 75 -10.529 5.994 4.023 1.00 0.00 C ATOM 1248 O GLY A 75 -9.488 5.387 3.765 1.00 0.00 O ATOM 0 H GLY A 75 -12.229 3.956 4.697 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.553 6.611 5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.610 5.146 6.008 1.00 0.00 H new ATOM 1252 N PRO A 76 -11.043 6.918 3.194 1.00 0.00 N ATOM 1253 CA PRO A 76 -10.425 7.311 1.934 1.00 0.00 C ATOM 1254 C PRO A 76 -9.161 8.137 2.200 1.00 0.00 C ATOM 1255 O PRO A 76 -8.943 8.575 3.330 1.00 0.00 O ATOM 1256 CB PRO A 76 -11.494 8.153 1.225 1.00 0.00 C ATOM 1257 CG PRO A 76 -12.237 8.808 2.385 1.00 0.00 C ATOM 1258 CD PRO A 76 -12.252 7.695 3.425 1.00 0.00 C ATOM 0 HA PRO A 76 -10.115 6.457 1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.049 8.894 0.560 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.157 7.536 0.618 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.722 9.698 2.748 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.244 9.115 2.102 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.266 8.104 4.435 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.142 7.074 3.320 1.00 0.00 H new ATOM 1266 N PRO A 77 -8.330 8.390 1.176 1.00 0.00 N ATOM 1267 CA PRO A 77 -7.257 9.365 1.289 1.00 0.00 C ATOM 1268 C PRO A 77 -7.877 10.760 1.401 1.00 0.00 C ATOM 1269 O PRO A 77 -8.945 11.007 0.840 1.00 0.00 O ATOM 1270 CB PRO A 77 -6.446 9.231 0.000 1.00 0.00 C ATOM 1271 CG PRO A 77 -7.489 8.772 -1.013 1.00 0.00 C ATOM 1272 CD PRO A 77 -8.453 7.915 -0.195 1.00 0.00 C ATOM 0 HA PRO A 77 -6.625 9.207 2.163 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.990 10.177 -0.290 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.638 8.507 0.104 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.000 9.619 -1.471 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.034 8.199 -1.821 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.476 8.021 -0.557 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.197 6.858 -0.268 1.00 0.00 H new ATOM 1280 N ALA A 78 -7.200 11.681 2.096 1.00 0.00 N ATOM 1281 CA ALA A 78 -7.648 13.062 2.231 1.00 0.00 C ATOM 1282 C ALA A 78 -7.272 13.875 0.984 1.00 0.00 C ATOM 1283 O ALA A 78 -6.757 14.986 1.099 1.00 0.00 O ATOM 1284 CB ALA A 78 -7.050 13.658 3.509 1.00 0.00 C ATOM 0 H ALA A 78 -6.324 11.484 2.580 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.734 13.095 2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.380 14.691 3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.382 13.078 4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.962 13.629 3.449 1.00 0.00 H new ATOM 1290 N ALA A 79 -7.517 13.311 -0.206 1.00 0.00 N ATOM 1291 CA ALA A 79 -7.122 13.851 -1.492 1.00 0.00 C ATOM 1292 C ALA A 79 -8.259 13.679 -2.492 1.00 0.00 C ATOM 1293 O ALA A 79 -9.272 13.045 -2.196 1.00 0.00 O ATOM 1294 CB ALA A 79 -5.899 13.077 -1.969 1.00 0.00 C ATOM 0 H ALA A 79 -8.019 12.427 -0.291 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.891 14.913 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.579 13.463 -2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.091 13.193 -1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.151 12.021 -2.065 1.00 0.00 H new ATOM 1300 N GLU A 80 -8.057 14.219 -3.698 1.00 0.00 N ATOM 1301 CA GLU A 80 -8.974 14.062 -4.814 1.00 0.00 C ATOM 1302 C GLU A 80 -8.824 12.666 -5.419 1.00 0.00 C ATOM 1303 O GLU A 80 -8.280 12.505 -6.512 1.00 0.00 O ATOM 1304 CB GLU A 80 -8.732 15.164 -5.855 1.00 0.00 C ATOM 1305 CG GLU A 80 -9.015 16.558 -5.284 1.00 0.00 C ATOM 1306 CD GLU A 80 -8.797 17.636 -6.341 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -9.767 18.229 -6.810 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -7.503 17.867 -6.699 1.00 0.00 O ATOM 0 H GLU A 80 -7.238 14.784 -3.922 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.000 14.163 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.700 15.116 -6.202 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.368 14.990 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.041 16.604 -4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.364 16.744 -4.430 1.00 0.00 H new ATOM 1316 N VAL A 81 -9.349 11.662 -4.707 1.00 0.00 N ATOM 1317 CA VAL A 81 -9.550 10.321 -5.227 1.00 0.00 C ATOM 1318 C VAL A 81 -10.630 10.382 -6.302 1.00 0.00 C ATOM 1319 O VAL A 81 -11.762 10.790 -6.046 1.00 0.00 O ATOM 1320 CB VAL A 81 -9.832 9.334 -4.083 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -11.112 9.604 -3.281 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -9.838 7.888 -4.596 1.00 0.00 C ATOM 0 H VAL A 81 -9.648 11.769 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.648 9.936 -5.703 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.010 9.490 -3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.217 8.852 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -11.055 10.593 -2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.974 9.559 -3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.040 7.209 -3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.612 7.774 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.867 7.652 -5.030 1.00 0.00 H new ATOM 1332 N GLU A 82 -10.234 10.026 -7.524 1.00 0.00 N ATOM 1333 CA GLU A 82 -11.049 10.136 -8.714 1.00 0.00 C ATOM 1334 C GLU A 82 -12.067 8.997 -8.720 1.00 0.00 C ATOM 1335 O GLU A 82 -13.262 9.257 -8.832 1.00 0.00 O ATOM 1336 CB GLU A 82 -10.109 10.140 -9.927 1.00 0.00 C ATOM 1337 CG GLU A 82 -10.846 10.280 -11.265 1.00 0.00 C ATOM 1338 CD GLU A 82 -11.642 11.579 -11.353 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -12.867 11.533 -11.440 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -10.913 12.730 -11.330 1.00 0.00 O ATOM 0 H GLU A 82 -9.307 9.642 -7.709 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.625 11.061 -8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.398 10.960 -9.824 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.531 9.216 -9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.124 10.243 -12.081 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.520 9.434 -11.397 1.00 0.00 H new ATOM 1348 N LYS A 83 -11.588 7.756 -8.558 1.00 0.00 N ATOM 1349 CA LYS A 83 -12.405 6.554 -8.402 1.00 0.00 C ATOM 1350 C LYS A 83 -11.510 5.326 -8.224 1.00 0.00 C ATOM 1351 O LYS A 83 -10.841 4.886 -9.156 1.00 0.00 O ATOM 1352 CB LYS A 83 -13.421 6.359 -9.543 1.00 0.00 C ATOM 1353 CG LYS A 83 -12.813 6.384 -10.950 1.00 0.00 C ATOM 1354 CD LYS A 83 -13.911 6.722 -11.967 1.00 0.00 C ATOM 1355 CE LYS A 83 -13.378 6.773 -13.401 1.00 0.00 C ATOM 1356 NZ LYS A 83 -13.075 5.438 -13.878 1.00 0.00 N ATOM 0 H LYS A 83 -10.587 7.559 -8.532 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.002 6.686 -7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.931 5.407 -9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -14.178 7.140 -9.475 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.013 7.123 -11.001 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.368 5.417 -11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.704 5.977 -11.903 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.355 7.684 -11.712 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.116 7.240 -14.053 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.481 7.392 -13.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.861 5.473 -14.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.252 5.064 -13.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.894 4.818 -13.718 1.00 0.00 H new ATOM 1369 N VAL A 84 -11.517 4.765 -7.013 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.789 3.552 -6.665 1.00 0.00 C ATOM 1371 C VAL A 84 -11.520 2.334 -7.239 1.00 0.00 C ATOM 1372 O VAL A 84 -12.235 1.617 -6.543 1.00 0.00 O ATOM 1373 CB VAL A 84 -10.520 3.511 -5.148 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -11.760 3.746 -4.273 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -9.808 2.217 -4.730 1.00 0.00 C ATOM 0 H VAL A 84 -12.043 5.154 -6.231 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.800 3.538 -7.122 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.858 4.358 -4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.477 3.700 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.180 4.728 -4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.504 2.978 -4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.637 2.227 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.429 1.360 -4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.852 2.144 -5.249 1.00 0.00 H new ATOM 1385 N ASP A 85 -11.337 2.123 -8.546 1.00 0.00 N ATOM 1386 CA ASP A 85 -12.007 1.091 -9.317 1.00 0.00 C ATOM 1387 C ASP A 85 -11.085 -0.121 -9.372 1.00 0.00 C ATOM 1388 O ASP A 85 -10.246 -0.219 -10.269 1.00 0.00 O ATOM 1389 CB ASP A 85 -12.334 1.636 -10.714 1.00 0.00 C ATOM 1390 CG ASP A 85 -13.020 0.581 -11.575 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -14.181 0.263 -11.325 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -12.274 0.052 -12.587 1.00 0.00 O ATOM 0 H ASP A 85 -10.698 2.687 -9.106 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.950 0.792 -8.858 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.979 2.510 -10.624 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.417 1.966 -11.202 1.00 0.00 H new ATOM 1398 N TYR A 86 -11.208 -1.019 -8.388 1.00 0.00 N ATOM 1399 CA TYR A 86 -10.260 -2.110 -8.236 1.00 0.00 C ATOM 1400 C TYR A 86 -10.449 -3.183 -9.305 1.00 0.00 C ATOM 1401 O TYR A 86 -11.491 -3.253 -9.956 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.311 -2.709 -6.818 1.00 0.00 C ATOM 1403 CG TYR A 86 -11.185 -3.940 -6.639 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -12.584 -3.843 -6.752 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -10.592 -5.194 -6.387 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -13.387 -4.978 -6.546 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -11.396 -6.325 -6.168 1.00 0.00 C ATOM 1408 CZ TYR A 86 -12.795 -6.212 -6.230 1.00 0.00 C ATOM 1409 OH TYR A 86 -13.581 -7.299 -5.980 1.00 0.00 O ATOM 0 H TYR A 86 -11.954 -1.006 -7.692 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.264 -1.690 -8.378 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.295 -2.964 -6.517 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.662 -1.937 -6.133 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -13.041 -2.896 -6.997 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.516 -5.285 -6.362 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.461 -4.901 -6.631 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.939 -7.280 -5.952 1.00 0.00 H new ATOM 0 HH TYR A 86 -13.015 -8.073 -5.779 1.00 0.00 H new ATOM 1419 N SER A 87 -9.431 -4.037 -9.444 1.00 0.00 N ATOM 1420 CA SER A 87 -9.427 -5.194 -10.319 1.00 0.00 C ATOM 1421 C SER A 87 -9.279 -6.453 -9.468 1.00 0.00 C ATOM 1422 O SER A 87 -8.335 -6.569 -8.691 1.00 0.00 O ATOM 1423 CB SER A 87 -8.276 -5.067 -11.319 1.00 0.00 C ATOM 1424 OG SER A 87 -8.425 -3.899 -12.098 1.00 0.00 O ATOM 0 H SER A 87 -8.558 -3.930 -8.927 1.00 0.00 H new ATOM 0 HA SER A 87 -10.361 -5.256 -10.878 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.325 -5.037 -10.787 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.251 -5.943 -11.967 1.00 0.00 H new ATOM 0 HG SER A 87 -7.680 -3.831 -12.731 1.00 0.00 H new ATOM 1430 N PHE A 88 -10.214 -7.394 -9.623 1.00 0.00 N ATOM 1431 CA PHE A 88 -10.148 -8.715 -9.017 1.00 0.00 C ATOM 1432 C PHE A 88 -9.281 -9.601 -9.914 1.00 0.00 C ATOM 1433 O PHE A 88 -9.528 -9.665 -11.118 1.00 0.00 O ATOM 1434 CB PHE A 88 -11.581 -9.255 -8.879 1.00 0.00 C ATOM 1435 CG PHE A 88 -11.739 -10.649 -8.284 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -11.318 -11.790 -8.997 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -12.440 -10.818 -7.072 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -11.490 -13.074 -8.449 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -12.649 -12.104 -6.544 1.00 0.00 C ATOM 1440 CZ PHE A 88 -12.153 -13.231 -7.221 1.00 0.00 C ATOM 0 H PHE A 88 -11.053 -7.250 -10.186 1.00 0.00 H new ATOM 0 HA PHE A 88 -9.701 -8.691 -8.023 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -12.148 -8.557 -8.263 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.040 -9.254 -9.867 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.861 -11.678 -9.969 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.819 -9.954 -6.546 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.112 -13.940 -8.973 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -13.191 -12.226 -5.618 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.281 -14.216 -6.798 1.00 0.00 H new ATOM 1450 N SER A 89 -8.276 -10.277 -9.342 1.00 0.00 N ATOM 1451 CA SER A 89 -7.375 -11.157 -10.075 1.00 0.00 C ATOM 1452 C SER A 89 -7.131 -12.460 -9.306 1.00 0.00 C ATOM 1453 O SER A 89 -7.649 -12.657 -8.208 1.00 0.00 O ATOM 1454 CB SER A 89 -6.054 -10.434 -10.363 1.00 0.00 C ATOM 1455 OG SER A 89 -6.285 -9.125 -10.843 1.00 0.00 O ATOM 0 H SER A 89 -8.069 -10.223 -8.345 1.00 0.00 H new ATOM 0 HA SER A 89 -7.843 -11.419 -11.024 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.454 -10.391 -9.454 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.480 -10.998 -11.098 1.00 0.00 H new ATOM 0 HG SER A 89 -5.427 -8.684 -11.018 1.00 0.00 H new ATOM 1461 N GLU A 90 -6.328 -13.347 -9.900 1.00 0.00 N ATOM 1462 CA GLU A 90 -5.924 -14.624 -9.329 1.00 0.00 C ATOM 1463 C GLU A 90 -4.558 -14.459 -8.667 1.00 0.00 C ATOM 1464 O GLU A 90 -3.738 -13.663 -9.125 1.00 0.00 O ATOM 1465 CB GLU A 90 -5.867 -15.693 -10.428 1.00 0.00 C ATOM 1466 CG GLU A 90 -7.259 -16.065 -10.958 1.00 0.00 C ATOM 1467 CD GLU A 90 -7.944 -14.937 -11.729 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -7.336 -14.360 -12.627 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -9.213 -14.630 -11.336 1.00 0.00 O ATOM 0 H GLU A 90 -5.930 -13.185 -10.825 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.649 -14.944 -8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.253 -15.330 -11.252 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.380 -16.586 -10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.170 -16.936 -11.608 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.891 -16.356 -10.119 1.00 0.00 H new ATOM 1477 N TYR A 91 -4.323 -15.195 -7.576 1.00 0.00 N ATOM 1478 CA TYR A 91 -3.140 -15.046 -6.756 1.00 0.00 C ATOM 1479 C TYR A 91 -1.869 -15.521 -7.457 1.00 0.00 C ATOM 1480 O TYR A 91 -1.843 -16.583 -8.079 1.00 0.00 O ATOM 1481 CB TYR A 91 -3.366 -15.729 -5.406 1.00 0.00 C ATOM 1482 CG TYR A 91 -3.281 -17.241 -5.440 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -4.404 -18.002 -5.814 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -2.041 -17.877 -5.240 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -4.279 -19.385 -6.023 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -1.914 -19.257 -5.462 1.00 0.00 C ATOM 1487 CZ TYR A 91 -3.032 -20.012 -5.863 1.00 0.00 C ATOM 1488 OH TYR A 91 -2.909 -21.350 -6.100 1.00 0.00 O ATOM 0 H TYR A 91 -4.963 -15.916 -7.243 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.976 -13.983 -6.579 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.629 -15.353 -4.696 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.348 -15.442 -5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.363 -17.522 -5.940 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.186 -17.302 -4.915 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -5.143 -19.968 -6.307 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.958 -19.740 -5.325 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.982 -21.626 -5.944 1.00 0.00 H new ATOM 1498 N LYS A 92 -0.813 -14.711 -7.328 1.00 0.00 N ATOM 1499 CA LYS A 92 0.537 -15.027 -7.759 1.00 0.00 C ATOM 1500 C LYS A 92 1.264 -15.726 -6.613 1.00 0.00 C ATOM 1501 O LYS A 92 1.778 -16.830 -6.774 1.00 0.00 O ATOM 1502 CB LYS A 92 1.248 -13.721 -8.133 1.00 0.00 C ATOM 1503 CG LYS A 92 2.727 -13.925 -8.491 1.00 0.00 C ATOM 1504 CD LYS A 92 2.969 -14.688 -9.800 1.00 0.00 C ATOM 1505 CE LYS A 92 2.445 -13.929 -11.026 1.00 0.00 C ATOM 1506 NZ LYS A 92 2.844 -14.617 -12.239 1.00 0.00 N ATOM 0 H LYS A 92 -0.886 -13.786 -6.904 1.00 0.00 H new ATOM 0 HA LYS A 92 0.526 -15.687 -8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.735 -13.264 -8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.175 -13.022 -7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.208 -12.949 -8.560 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.213 -14.463 -7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.037 -14.871 -9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.483 -15.662 -9.744 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.359 -13.853 -10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.836 -12.911 -11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.486 -14.098 -13.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.882 -14.667 -12.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.451 -15.580 -12.238 1.00 0.00 H new ATOM 1519 N GLY A 93 1.325 -15.040 -5.465 1.00 0.00 N ATOM 1520 CA GLY A 93 2.045 -15.473 -4.279 1.00 0.00 C ATOM 1521 C GLY A 93 3.505 -15.005 -4.244 1.00 0.00 C ATOM 1522 O GLY A 93 4.333 -15.667 -3.622 1.00 0.00 O ATOM 0 H GLY A 93 0.858 -14.142 -5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.530 -15.098 -3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.019 -16.561 -4.225 1.00 0.00 H new ATOM 1526 N GLU A 94 3.829 -13.876 -4.892 1.00 0.00 N ATOM 1527 CA GLU A 94 5.191 -13.354 -4.968 1.00 0.00 C ATOM 1528 C GLU A 94 5.588 -12.541 -3.730 1.00 0.00 C ATOM 1529 O GLU A 94 6.756 -12.557 -3.344 1.00 0.00 O ATOM 1530 CB GLU A 94 5.384 -12.541 -6.259 1.00 0.00 C ATOM 1531 CG GLU A 94 4.549 -11.255 -6.302 1.00 0.00 C ATOM 1532 CD GLU A 94 4.684 -10.524 -7.635 1.00 0.00 C ATOM 1533 OE1 GLU A 94 3.680 -10.315 -8.316 1.00 0.00 O ATOM 1534 OE2 GLU A 94 5.945 -10.139 -7.978 1.00 0.00 O ATOM 0 H GLU A 94 3.144 -13.299 -5.380 1.00 0.00 H new ATOM 0 HA GLU A 94 5.862 -14.213 -4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.438 -12.284 -6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.122 -13.164 -7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.501 -11.498 -6.128 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.861 -10.594 -5.494 1.00 0.00 H new ATOM 1542 N PHE A 95 4.647 -11.795 -3.134 1.00 0.00 N ATOM 1543 CA PHE A 95 4.953 -10.764 -2.160 1.00 0.00 C ATOM 1544 C PHE A 95 5.122 -11.351 -0.761 1.00 0.00 C ATOM 1545 O PHE A 95 4.205 -11.297 0.053 1.00 0.00 O ATOM 1546 CB PHE A 95 3.858 -9.694 -2.203 1.00 0.00 C ATOM 1547 CG PHE A 95 3.810 -8.903 -3.498 1.00 0.00 C ATOM 1548 CD1 PHE A 95 4.861 -8.023 -3.821 1.00 0.00 C ATOM 1549 CD2 PHE A 95 2.740 -9.068 -4.399 1.00 0.00 C ATOM 1550 CE1 PHE A 95 4.861 -7.343 -5.050 1.00 0.00 C ATOM 1551 CE2 PHE A 95 2.735 -8.379 -5.624 1.00 0.00 C ATOM 1552 CZ PHE A 95 3.800 -7.525 -5.954 1.00 0.00 C ATOM 0 H PHE A 95 3.650 -11.899 -3.322 1.00 0.00 H new ATOM 0 HA PHE A 95 5.906 -10.300 -2.414 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.891 -10.173 -2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.009 -9.003 -1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.670 -7.871 -3.121 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.921 -9.726 -4.148 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.676 -6.680 -5.300 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.912 -8.506 -6.312 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.804 -7.008 -6.902 1.00 0.00 H new ATOM 1562 N GLU A 96 6.316 -11.880 -0.473 1.00 0.00 N ATOM 1563 CA GLU A 96 6.708 -12.319 0.852 1.00 0.00 C ATOM 1564 C GLU A 96 6.821 -11.102 1.778 1.00 0.00 C ATOM 1565 O GLU A 96 7.895 -10.514 1.883 1.00 0.00 O ATOM 1566 CB GLU A 96 8.023 -13.110 0.772 1.00 0.00 C ATOM 1567 CG GLU A 96 7.889 -14.321 -0.160 1.00 0.00 C ATOM 1568 CD GLU A 96 9.138 -15.197 -0.118 1.00 0.00 C ATOM 1569 OE1 GLU A 96 9.963 -15.119 -1.025 1.00 0.00 O ATOM 1570 OE2 GLU A 96 9.247 -16.031 0.955 1.00 0.00 O ATOM 0 H GLU A 96 7.044 -12.014 -1.175 1.00 0.00 H new ATOM 0 HA GLU A 96 5.952 -12.986 1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.820 -12.459 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.309 -13.445 1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.019 -14.911 0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.717 -13.979 -1.181 1.00 0.00 H new ATOM 1578 N ASP A 97 5.697 -10.738 2.415 1.00 0.00 N ATOM 1579 CA ASP A 97 5.457 -9.547 3.231 1.00 0.00 C ATOM 1580 C ASP A 97 4.919 -8.405 2.367 1.00 0.00 C ATOM 1581 O ASP A 97 5.306 -8.257 1.209 1.00 0.00 O ATOM 1582 CB ASP A 97 6.673 -9.097 4.061 1.00 0.00 C ATOM 1583 CG ASP A 97 6.292 -7.981 5.031 1.00 0.00 C ATOM 1584 OD1 ASP A 97 5.738 -8.264 6.090 1.00 0.00 O ATOM 1585 OD2 ASP A 97 6.587 -6.711 4.627 1.00 0.00 O ATOM 0 H ASP A 97 4.863 -11.323 2.365 1.00 0.00 H new ATOM 0 HA ASP A 97 4.701 -9.830 3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.073 -9.946 4.616 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.464 -8.751 3.396 1.00 0.00 H new ATOM 1591 N PHE A 98 4.024 -7.596 2.949 1.00 0.00 N ATOM 1592 CA PHE A 98 3.426 -6.438 2.306 1.00 0.00 C ATOM 1593 C PHE A 98 4.256 -5.203 2.645 1.00 0.00 C ATOM 1594 O PHE A 98 4.274 -4.794 3.803 1.00 0.00 O ATOM 1595 CB PHE A 98 1.977 -6.285 2.785 1.00 0.00 C ATOM 1596 CG PHE A 98 1.047 -5.496 1.879 1.00 0.00 C ATOM 1597 CD1 PHE A 98 1.408 -4.245 1.340 1.00 0.00 C ATOM 1598 CD2 PHE A 98 -0.256 -5.981 1.674 1.00 0.00 C ATOM 1599 CE1 PHE A 98 0.482 -3.507 0.584 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -1.183 -5.241 0.929 1.00 0.00 C ATOM 1601 CZ PHE A 98 -0.810 -4.012 0.369 1.00 0.00 C ATOM 0 H PHE A 98 3.693 -7.740 3.903 1.00 0.00 H new ATOM 0 HA PHE A 98 3.414 -6.562 1.223 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.556 -7.281 2.924 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.989 -5.805 3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.400 -3.852 1.509 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.545 -6.933 2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.764 -2.551 0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.185 -5.618 0.786 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.516 -3.454 -0.228 1.00 0.00 H new ATOM 1611 N GLU A 99 4.934 -4.618 1.648 1.00 0.00 N ATOM 1612 CA GLU A 99 5.770 -3.435 1.839 1.00 0.00 C ATOM 1613 C GLU A 99 5.315 -2.290 0.937 1.00 0.00 C ATOM 1614 O GLU A 99 4.532 -2.487 0.014 1.00 0.00 O ATOM 1615 CB GLU A 99 7.232 -3.823 1.594 1.00 0.00 C ATOM 1616 CG GLU A 99 8.191 -2.674 1.935 1.00 0.00 C ATOM 1617 CD GLU A 99 9.640 -3.147 1.964 1.00 0.00 C ATOM 1618 OE1 GLU A 99 10.345 -2.991 0.969 1.00 0.00 O ATOM 1619 OE2 GLU A 99 10.057 -3.724 3.127 1.00 0.00 O ATOM 0 H GLU A 99 4.915 -4.956 0.686 1.00 0.00 H new ATOM 0 HA GLU A 99 5.673 -3.072 2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.482 -4.696 2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.363 -4.108 0.550 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.082 -1.877 1.200 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.925 -2.252 2.904 1.00 0.00 H new ATOM 1627 N THR A 100 5.796 -1.078 1.220 1.00 0.00 N ATOM 1628 CA THR A 100 5.441 0.123 0.488 1.00 0.00 C ATOM 1629 C THR A 100 6.611 0.598 -0.373 1.00 0.00 C ATOM 1630 O THR A 100 7.767 0.444 0.022 1.00 0.00 O ATOM 1631 CB THR A 100 4.963 1.195 1.476 1.00 0.00 C ATOM 1632 OG1 THR A 100 6.029 1.985 1.958 1.00 0.00 O ATOM 1633 CG2 THR A 100 4.245 0.585 2.685 1.00 0.00 C ATOM 0 H THR A 100 6.455 -0.909 1.980 1.00 0.00 H new ATOM 0 HA THR A 100 4.622 -0.090 -0.198 1.00 0.00 H new ATOM 0 HB THR A 100 4.269 1.818 0.912 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.683 2.656 2.583 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.924 1.381 3.357 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.374 0.024 2.346 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.925 -0.084 3.213 1.00 0.00 H new ATOM 1641 N TYR A 101 6.313 1.178 -1.543 1.00 0.00 N ATOM 1642 CA TYR A 101 7.318 1.760 -2.422 1.00 0.00 C ATOM 1643 C TYR A 101 7.623 3.205 -2.000 1.00 0.00 C ATOM 1644 O TYR A 101 7.989 4.007 -2.885 1.00 0.00 O ATOM 1645 CB TYR A 101 6.771 1.654 -3.852 1.00 0.00 C ATOM 1646 CG TYR A 101 7.717 1.817 -5.024 1.00 0.00 C ATOM 1647 CD1 TYR A 101 8.965 1.165 -5.029 1.00 0.00 C ATOM 1648 CD2 TYR A 101 7.235 2.394 -6.215 1.00 0.00 C ATOM 1649 CE1 TYR A 101 9.789 1.220 -6.165 1.00 0.00 C ATOM 1650 CE2 TYR A 101 8.054 2.443 -7.356 1.00 0.00 C ATOM 1651 CZ TYR A 101 9.338 1.872 -7.326 1.00 0.00 C ATOM 1652 OH TYR A 101 10.141 1.935 -8.426 1.00 0.00 O ATOM 1653 OXT TYR A 101 7.482 3.496 -0.789 1.00 0.00 O ATOM 0 H TYR A 101 5.361 1.254 -1.902 1.00 0.00 H new ATOM 0 HA TYR A 101 8.269 1.231 -2.362 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.295 0.678 -3.949 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.986 2.403 -3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 101 9.290 0.620 -4.155 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.235 2.799 -6.251 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.767 0.762 -6.147 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.696 2.920 -8.257 1.00 0.00 H new ATOM 0 HH TYR A 101 9.678 2.419 -9.142 1.00 0.00 H new TER 1663 TYR A 101