USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 540 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 15 HIS : no HD1:sc= -1.24 K(o=-0.6,f=-3.9) USER MOD Set 1.2: A 16 THR OG1 : rot 73:sc= 0.634 USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.00709 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00509 USER MOD Single : A 5 SER OG : rot -52:sc= 0.89 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -132:sc= -1.79 (180deg=-3.78!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -150:sc= -0.672 USER MOD Single : A 48 MET CE :methyl -118:sc= 0 (180deg=-0.00696) USER MOD Single : A 52 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 26:sc= 0.139 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 9:sc= 0.129 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.100 -9.674 19.679 1.00 0.00 N ATOM 2 CA GLY A 1 -5.334 -10.897 19.527 1.00 0.00 C ATOM 3 C GLY A 1 -5.065 -11.236 18.074 1.00 0.00 C ATOM 4 O GLY A 1 -4.785 -10.352 17.265 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.728 -9.129 20.483 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.023 -9.106 18.811 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.098 -9.909 19.852 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.386 -10.796 20.055 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.873 -11.720 19.995 1.00 0.00 H new ATOM 8 N SER A 2 -5.147 -12.521 17.743 1.00 0.00 N ATOM 9 CA SER A 2 -4.905 -12.975 16.379 1.00 0.00 C ATOM 10 C SER A 2 -3.475 -12.663 15.948 1.00 0.00 C ATOM 11 O SER A 2 -3.236 -12.229 14.821 1.00 0.00 O ATOM 12 CB SER A 2 -5.895 -12.317 15.416 1.00 0.00 C ATOM 13 OG SER A 2 -7.128 -13.016 15.395 1.00 0.00 O ATOM 0 H SER A 2 -5.379 -13.265 18.401 1.00 0.00 H new ATOM 0 HA SER A 2 -5.047 -14.055 16.352 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.065 -11.283 15.715 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.470 -12.293 14.413 1.00 0.00 H new ATOM 0 HG SER A 2 -7.744 -12.575 14.773 1.00 0.00 H new ATOM 19 N SER A 3 -2.529 -12.888 16.853 1.00 0.00 N ATOM 20 CA SER A 3 -1.122 -12.628 16.570 1.00 0.00 C ATOM 21 C SER A 3 -0.300 -13.908 16.681 1.00 0.00 C ATOM 22 O SER A 3 -0.776 -14.923 17.187 1.00 0.00 O ATOM 23 CB SER A 3 -0.574 -11.571 17.530 1.00 0.00 C ATOM 24 OG SER A 3 0.670 -11.066 17.076 1.00 0.00 O ATOM 0 H SER A 3 -2.711 -13.250 17.789 1.00 0.00 H new ATOM 0 HA SER A 3 -1.045 -12.255 15.549 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.290 -10.754 17.623 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.454 -12.004 18.523 1.00 0.00 H new ATOM 0 HG SER A 3 0.998 -10.391 17.706 1.00 0.00 H new ATOM 30 N GLY A 4 0.940 -13.851 16.203 1.00 0.00 N ATOM 31 CA GLY A 4 1.810 -15.012 16.257 1.00 0.00 C ATOM 32 C GLY A 4 3.063 -14.836 15.422 1.00 0.00 C ATOM 33 O GLY A 4 3.299 -15.592 14.479 1.00 0.00 O ATOM 0 H GLY A 4 1.357 -13.022 15.780 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.091 -15.204 17.293 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.264 -15.888 15.907 1.00 0.00 H new ATOM 37 N SER A 5 3.867 -13.836 15.767 1.00 0.00 N ATOM 38 CA SER A 5 5.100 -13.560 15.038 1.00 0.00 C ATOM 39 C SER A 5 4.825 -13.398 13.546 1.00 0.00 C ATOM 40 O SER A 5 5.605 -13.849 12.708 1.00 0.00 O ATOM 41 CB SER A 5 6.112 -14.685 15.263 1.00 0.00 C ATOM 42 OG SER A 5 5.842 -15.790 14.418 1.00 0.00 O ATOM 0 H SER A 5 3.687 -13.203 16.547 1.00 0.00 H new ATOM 0 HA SER A 5 5.515 -12.626 15.416 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.120 -14.315 15.073 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.081 -15.004 16.305 1.00 0.00 H new ATOM 0 HG SER A 5 4.901 -16.050 14.510 1.00 0.00 H new ATOM 48 N SER A 6 3.709 -12.752 13.224 1.00 0.00 N ATOM 49 CA SER A 6 3.327 -12.533 11.833 1.00 0.00 C ATOM 50 C SER A 6 4.248 -11.512 11.172 1.00 0.00 C ATOM 51 O SER A 6 4.594 -11.640 9.998 1.00 0.00 O ATOM 52 CB SER A 6 1.876 -12.058 11.750 1.00 0.00 C ATOM 53 OG SER A 6 1.725 -10.773 12.327 1.00 0.00 O ATOM 0 H SER A 6 3.054 -12.371 13.907 1.00 0.00 H new ATOM 0 HA SER A 6 3.422 -13.480 11.301 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.558 -12.031 10.708 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.228 -12.769 12.263 1.00 0.00 H new ATOM 0 HG SER A 6 0.789 -10.492 12.259 1.00 0.00 H new ATOM 59 N GLY A 7 4.640 -10.496 11.935 1.00 0.00 N ATOM 60 CA GLY A 7 5.515 -9.466 11.407 1.00 0.00 C ATOM 61 C GLY A 7 4.756 -8.234 10.957 1.00 0.00 C ATOM 62 O GLY A 7 5.103 -7.112 11.328 1.00 0.00 O ATOM 0 H GLY A 7 4.367 -10.368 12.909 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.240 -9.183 12.170 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.079 -9.869 10.566 1.00 0.00 H new ATOM 66 N PHE A 8 3.718 -8.441 10.154 1.00 0.00 N ATOM 67 CA PHE A 8 2.909 -7.337 9.650 1.00 0.00 C ATOM 68 C PHE A 8 1.431 -7.715 9.622 1.00 0.00 C ATOM 69 O PHE A 8 1.082 -8.895 9.571 1.00 0.00 O ATOM 70 CB PHE A 8 3.372 -6.935 8.248 1.00 0.00 C ATOM 71 CG PHE A 8 4.850 -6.690 8.152 1.00 0.00 C ATOM 72 CD1 PHE A 8 5.441 -5.654 8.859 1.00 0.00 C ATOM 73 CD2 PHE A 8 5.650 -7.493 7.355 1.00 0.00 C ATOM 74 CE1 PHE A 8 6.802 -5.426 8.774 1.00 0.00 C ATOM 75 CE2 PHE A 8 7.011 -7.269 7.266 1.00 0.00 C ATOM 76 CZ PHE A 8 7.587 -6.234 7.975 1.00 0.00 C ATOM 0 H PHE A 8 3.417 -9.363 9.838 1.00 0.00 H new ATOM 0 HA PHE A 8 3.036 -6.489 10.323 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.095 -7.720 7.544 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.842 -6.033 7.944 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.831 -5.018 9.483 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.205 -8.303 6.797 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.251 -4.617 9.332 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.623 -7.903 6.642 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.650 -6.056 7.905 1.00 0.00 H new ATOM 86 N CYS A 9 0.568 -6.705 9.654 1.00 0.00 N ATOM 87 CA CYS A 9 -0.873 -6.930 9.633 1.00 0.00 C ATOM 88 C CYS A 9 -1.345 -7.300 8.231 1.00 0.00 C ATOM 89 O CYS A 9 -2.012 -8.315 8.037 1.00 0.00 O ATOM 90 CB CYS A 9 -1.612 -5.684 10.122 1.00 0.00 C ATOM 91 SG CYS A 9 -1.287 -5.262 11.850 1.00 0.00 S ATOM 0 H CYS A 9 0.841 -5.723 9.695 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.096 -7.761 10.302 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.331 -4.839 9.494 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.683 -5.836 9.992 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.955 -4.193 12.169 1.00 0.00 H new ATOM 97 N GLY A 10 -0.996 -6.466 7.256 1.00 0.00 N ATOM 98 CA GLY A 10 -1.394 -6.722 5.884 1.00 0.00 C ATOM 99 C GLY A 10 -0.662 -5.837 4.893 1.00 0.00 C ATOM 100 O GLY A 10 -0.157 -4.775 5.255 1.00 0.00 O ATOM 0 H GLY A 10 -0.445 -5.618 7.392 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.203 -7.768 5.643 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.468 -6.563 5.785 1.00 0.00 H new ATOM 104 N ARG A 11 -0.604 -6.277 3.641 1.00 0.00 N ATOM 105 CA ARG A 11 0.074 -5.519 2.596 1.00 0.00 C ATOM 106 C ARG A 11 -0.930 -4.953 1.596 1.00 0.00 C ATOM 107 O ARG A 11 -2.112 -5.296 1.626 1.00 0.00 O ATOM 108 CB ARG A 11 1.088 -6.405 1.870 1.00 0.00 C ATOM 109 CG ARG A 11 0.479 -7.663 1.271 1.00 0.00 C ATOM 110 CD ARG A 11 1.549 -8.589 0.716 1.00 0.00 C ATOM 111 NE ARG A 11 1.147 -9.992 0.782 1.00 0.00 N ATOM 112 CZ ARG A 11 1.223 -10.727 1.886 1.00 0.00 C ATOM 113 NH1 ARG A 11 1.683 -10.195 3.010 1.00 0.00 N ATOM 114 NH2 ARG A 11 0.837 -11.996 1.867 1.00 0.00 N ATOM 0 H ARG A 11 -1.018 -7.154 3.325 1.00 0.00 H new ATOM 0 HA ARG A 11 0.599 -4.688 3.068 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.560 -5.827 1.076 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.875 -6.690 2.568 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.098 -8.187 2.032 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.215 -7.390 0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.759 -8.321 -0.319 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.474 -8.450 1.275 1.00 0.00 H new ATOM 0 HE ARG A 11 0.788 -10.431 -0.066 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.980 -9.219 3.028 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.740 -10.762 3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.482 -12.408 1.004 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.896 -12.560 2.715 1.00 0.00 H new ATOM 128 N ALA A 12 -0.452 -4.083 0.713 1.00 0.00 N ATOM 129 CA ALA A 12 -1.307 -3.470 -0.296 1.00 0.00 C ATOM 130 C ALA A 12 -0.550 -3.263 -1.604 1.00 0.00 C ATOM 131 O ALA A 12 0.647 -2.978 -1.601 1.00 0.00 O ATOM 132 CB ALA A 12 -1.859 -2.147 0.213 1.00 0.00 C ATOM 0 H ALA A 12 0.523 -3.787 0.676 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.139 -4.146 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.496 -1.700 -0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.443 -2.320 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.034 -1.471 0.438 1.00 0.00 H new ATOM 138 N ARG A 13 -1.257 -3.407 -2.720 1.00 0.00 N ATOM 139 CA ARG A 13 -0.651 -3.238 -4.035 1.00 0.00 C ATOM 140 C ARG A 13 -0.961 -1.855 -4.602 1.00 0.00 C ATOM 141 O ARG A 13 -2.124 -1.488 -4.771 1.00 0.00 O ATOM 142 CB ARG A 13 -1.153 -4.318 -4.995 1.00 0.00 C ATOM 143 CG ARG A 13 -0.585 -4.196 -6.400 1.00 0.00 C ATOM 144 CD ARG A 13 -0.938 -5.406 -7.250 1.00 0.00 C ATOM 145 NE ARG A 13 -0.323 -6.630 -6.743 1.00 0.00 N ATOM 146 CZ ARG A 13 0.982 -6.872 -6.797 1.00 0.00 C ATOM 147 NH1 ARG A 13 1.805 -5.980 -7.331 1.00 0.00 N ATOM 148 NH2 ARG A 13 1.467 -8.009 -6.314 1.00 0.00 N ATOM 0 H ARG A 13 -2.250 -3.640 -2.740 1.00 0.00 H new ATOM 0 HA ARG A 13 0.429 -3.334 -3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.896 -5.298 -4.592 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.241 -4.269 -5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.971 -3.293 -6.873 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.499 -4.090 -6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.021 -5.528 -7.275 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.613 -5.235 -8.276 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.928 -7.337 -6.325 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.437 -5.104 -7.702 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.806 -6.170 -7.371 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.838 -8.697 -5.901 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.469 -8.195 -6.356 1.00 0.00 H new ATOM 162 N VAL A 14 0.088 -1.092 -4.894 1.00 0.00 N ATOM 163 CA VAL A 14 -0.071 0.249 -5.442 1.00 0.00 C ATOM 164 C VAL A 14 -0.523 0.199 -6.897 1.00 0.00 C ATOM 165 O VAL A 14 0.211 -0.265 -7.771 1.00 0.00 O ATOM 166 CB VAL A 14 1.240 1.052 -5.351 1.00 0.00 C ATOM 167 CG1 VAL A 14 1.077 2.417 -6.003 1.00 0.00 C ATOM 168 CG2 VAL A 14 1.678 1.194 -3.901 1.00 0.00 C ATOM 0 H VAL A 14 1.057 -1.380 -4.760 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.835 0.746 -4.844 1.00 0.00 H new ATOM 0 HB VAL A 14 2.016 0.509 -5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.013 2.970 -5.929 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.813 2.290 -7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.288 2.971 -5.495 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.606 1.764 -3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.904 1.714 -3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.838 0.205 -3.471 1.00 0.00 H new ATOM 178 N HIS A 15 -1.737 0.678 -7.152 1.00 0.00 N ATOM 179 CA HIS A 15 -2.287 0.689 -8.502 1.00 0.00 C ATOM 180 C HIS A 15 -2.093 2.053 -9.157 1.00 0.00 C ATOM 181 O HIS A 15 -2.087 2.170 -10.383 1.00 0.00 O ATOM 182 CB HIS A 15 -3.773 0.330 -8.473 1.00 0.00 C ATOM 183 CG HIS A 15 -4.522 0.970 -7.345 1.00 0.00 C ATOM 184 ND1 HIS A 15 -4.999 2.263 -7.396 1.00 0.00 N ATOM 185 CD2 HIS A 15 -4.876 0.488 -6.131 1.00 0.00 C ATOM 186 CE1 HIS A 15 -5.613 2.549 -6.262 1.00 0.00 C ATOM 187 NE2 HIS A 15 -5.553 1.488 -5.477 1.00 0.00 N ATOM 0 H HIS A 15 -2.358 1.064 -6.441 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.753 -0.056 -9.091 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.229 0.629 -9.417 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.875 -0.753 -8.398 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.665 -0.499 -5.748 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.084 3.490 -6.018 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -5.946 1.422 -4.538 1.00 0.00 H new ATOM 195 N THR A 16 -1.937 3.083 -8.332 1.00 0.00 N ATOM 196 CA THR A 16 -1.746 4.439 -8.830 1.00 0.00 C ATOM 197 C THR A 16 -0.487 5.069 -8.243 1.00 0.00 C ATOM 198 O THR A 16 -0.277 5.042 -7.030 1.00 0.00 O ATOM 199 CB THR A 16 -2.955 5.335 -8.502 1.00 0.00 C ATOM 200 OG1 THR A 16 -4.151 4.758 -9.037 1.00 0.00 O ATOM 201 CG2 THR A 16 -2.763 6.733 -9.069 1.00 0.00 C ATOM 0 H THR A 16 -1.939 3.004 -7.315 1.00 0.00 H new ATOM 0 HA THR A 16 -1.642 4.365 -9.912 1.00 0.00 H new ATOM 0 HB THR A 16 -3.041 5.409 -7.418 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.401 3.972 -8.507 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.630 7.347 -8.824 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.868 7.181 -8.638 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.654 6.675 -10.152 1.00 0.00 H new ATOM 209 N ASP A 17 0.345 5.634 -9.110 1.00 0.00 N ATOM 210 CA ASP A 17 1.583 6.272 -8.676 1.00 0.00 C ATOM 211 C ASP A 17 1.291 7.557 -7.906 1.00 0.00 C ATOM 212 O ASP A 17 0.387 8.313 -8.260 1.00 0.00 O ATOM 213 CB ASP A 17 2.474 6.577 -9.881 1.00 0.00 C ATOM 214 CG ASP A 17 2.594 5.397 -10.825 1.00 0.00 C ATOM 215 OD1 ASP A 17 1.600 4.658 -10.980 1.00 0.00 O ATOM 216 OD2 ASP A 17 3.683 5.211 -11.408 1.00 0.00 O ATOM 0 H ASP A 17 0.185 5.664 -10.117 1.00 0.00 H new ATOM 0 HA ASP A 17 2.105 5.582 -8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.068 7.432 -10.422 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.467 6.862 -9.532 1.00 0.00 H new ATOM 221 N PHE A 18 2.063 7.796 -6.851 1.00 0.00 N ATOM 222 CA PHE A 18 1.886 8.988 -6.029 1.00 0.00 C ATOM 223 C PHE A 18 3.235 9.591 -5.649 1.00 0.00 C ATOM 224 O PHE A 18 4.020 8.979 -4.923 1.00 0.00 O ATOM 225 CB PHE A 18 1.091 8.649 -4.766 1.00 0.00 C ATOM 226 CG PHE A 18 1.097 9.747 -3.742 1.00 0.00 C ATOM 227 CD1 PHE A 18 2.175 9.908 -2.885 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.026 10.619 -3.635 1.00 0.00 C ATOM 229 CE1 PHE A 18 2.182 10.917 -1.941 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.028 11.630 -2.693 1.00 0.00 C ATOM 231 CZ PHE A 18 1.108 11.780 -1.846 1.00 0.00 C ATOM 0 H PHE A 18 2.817 7.181 -6.545 1.00 0.00 H new ATOM 0 HA PHE A 18 1.331 9.723 -6.612 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.060 8.427 -5.043 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.503 7.744 -4.319 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.019 9.237 -2.956 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.821 10.507 -4.296 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.027 11.031 -1.278 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.814 12.302 -2.619 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.113 12.571 -1.110 1.00 0.00 H new ATOM 241 N THR A 19 3.498 10.796 -6.144 1.00 0.00 N ATOM 242 CA THR A 19 4.751 11.483 -5.859 1.00 0.00 C ATOM 243 C THR A 19 4.534 12.651 -4.904 1.00 0.00 C ATOM 244 O THR A 19 3.974 13.685 -5.268 1.00 0.00 O ATOM 245 CB THR A 19 5.412 12.005 -7.148 1.00 0.00 C ATOM 246 OG1 THR A 19 5.458 10.965 -8.131 1.00 0.00 O ATOM 247 CG2 THR A 19 6.821 12.508 -6.869 1.00 0.00 C ATOM 0 H THR A 19 2.859 11.317 -6.745 1.00 0.00 H new ATOM 0 HA THR A 19 5.411 10.753 -5.391 1.00 0.00 H new ATOM 0 HB THR A 19 4.815 12.835 -7.525 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.878 11.306 -8.948 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.267 12.872 -7.795 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.780 13.319 -6.142 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.426 11.694 -6.470 1.00 0.00 H new ATOM 255 N PRO A 20 4.986 12.486 -3.652 1.00 0.00 N ATOM 256 CA PRO A 20 4.853 13.518 -2.620 1.00 0.00 C ATOM 257 C PRO A 20 5.745 14.725 -2.888 1.00 0.00 C ATOM 258 O PRO A 20 6.533 14.729 -3.834 1.00 0.00 O ATOM 259 CB PRO A 20 5.294 12.800 -1.342 1.00 0.00 C ATOM 260 CG PRO A 20 6.197 11.712 -1.811 1.00 0.00 C ATOM 261 CD PRO A 20 5.664 11.279 -3.149 1.00 0.00 C ATOM 0 HA PRO A 20 3.840 13.919 -2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.811 13.479 -0.665 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.439 12.398 -0.799 1.00 0.00 H new ATOM 0 HG2 PRO A 20 7.224 12.067 -1.896 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.205 10.880 -1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.464 10.960 -3.816 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.974 10.440 -3.055 1.00 0.00 H new ATOM 269 N SER A 21 5.617 15.748 -2.049 1.00 0.00 N ATOM 270 CA SER A 21 6.410 16.962 -2.197 1.00 0.00 C ATOM 271 C SER A 21 7.890 16.678 -1.959 1.00 0.00 C ATOM 272 O SER A 21 8.263 15.708 -1.298 1.00 0.00 O ATOM 273 CB SER A 21 5.922 18.037 -1.224 1.00 0.00 C ATOM 274 OG SER A 21 4.770 18.693 -1.724 1.00 0.00 O ATOM 0 H SER A 21 4.971 15.760 -1.260 1.00 0.00 H new ATOM 0 HA SER A 21 6.288 17.323 -3.218 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.696 17.583 -0.259 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.715 18.766 -1.055 1.00 0.00 H new ATOM 0 HG SER A 21 4.477 19.374 -1.083 1.00 0.00 H new ATOM 280 N PRO A 22 8.754 17.543 -2.509 1.00 0.00 N ATOM 281 CA PRO A 22 10.207 17.407 -2.370 1.00 0.00 C ATOM 282 C PRO A 22 10.682 17.686 -0.948 1.00 0.00 C ATOM 283 O PRO A 22 11.800 17.329 -0.576 1.00 0.00 O ATOM 284 CB PRO A 22 10.756 18.462 -3.334 1.00 0.00 C ATOM 285 CG PRO A 22 9.672 19.479 -3.440 1.00 0.00 C ATOM 286 CD PRO A 22 8.380 18.721 -3.309 1.00 0.00 C ATOM 0 HA PRO A 22 10.544 16.394 -2.588 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.677 18.904 -2.955 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.988 18.027 -4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.764 20.231 -2.657 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.721 20.004 -4.394 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.614 19.316 -2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.981 18.435 -4.282 1.00 0.00 H new ATOM 294 N TYR A 23 9.826 18.325 -0.158 1.00 0.00 N ATOM 295 CA TYR A 23 10.160 18.653 1.222 1.00 0.00 C ATOM 296 C TYR A 23 9.619 17.595 2.180 1.00 0.00 C ATOM 297 O TYR A 23 10.245 17.280 3.192 1.00 0.00 O ATOM 298 CB TYR A 23 9.598 20.027 1.592 1.00 0.00 C ATOM 299 CG TYR A 23 9.810 21.075 0.524 1.00 0.00 C ATOM 300 CD1 TYR A 23 11.076 21.589 0.269 1.00 0.00 C ATOM 301 CD2 TYR A 23 8.745 21.554 -0.229 1.00 0.00 C ATOM 302 CE1 TYR A 23 11.275 22.548 -0.705 1.00 0.00 C ATOM 303 CE2 TYR A 23 8.935 22.511 -1.207 1.00 0.00 C ATOM 304 CZ TYR A 23 10.201 23.005 -1.441 1.00 0.00 C ATOM 305 OH TYR A 23 10.394 23.961 -2.412 1.00 0.00 O ATOM 0 H TYR A 23 8.896 18.626 -0.450 1.00 0.00 H new ATOM 0 HA TYR A 23 11.246 18.676 1.311 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.530 19.932 1.789 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.065 20.364 2.518 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.919 21.232 0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.752 21.172 -0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.265 22.938 -0.889 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.097 22.870 -1.785 1.00 0.00 H new ATOM 0 HH TYR A 23 9.537 24.172 -2.838 1.00 0.00 H new ATOM 315 N ASP A 24 8.453 17.050 1.851 1.00 0.00 N ATOM 316 CA ASP A 24 7.827 16.026 2.679 1.00 0.00 C ATOM 317 C ASP A 24 8.579 14.703 2.568 1.00 0.00 C ATOM 318 O ASP A 24 8.530 14.033 1.536 1.00 0.00 O ATOM 319 CB ASP A 24 6.366 15.833 2.271 1.00 0.00 C ATOM 320 CG ASP A 24 5.466 16.931 2.804 1.00 0.00 C ATOM 321 OD1 ASP A 24 5.872 18.111 2.746 1.00 0.00 O ATOM 322 OD2 ASP A 24 4.356 16.610 3.277 1.00 0.00 O ATOM 0 H ASP A 24 7.922 17.300 1.017 1.00 0.00 H new ATOM 0 HA ASP A 24 7.865 16.359 3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.296 15.806 1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.014 14.869 2.637 1.00 0.00 H new ATOM 327 N THR A 25 9.275 14.333 3.638 1.00 0.00 N ATOM 328 CA THR A 25 10.039 13.091 3.661 1.00 0.00 C ATOM 329 C THR A 25 9.185 11.929 4.154 1.00 0.00 C ATOM 330 O THR A 25 9.249 10.826 3.611 1.00 0.00 O ATOM 331 CB THR A 25 11.285 13.215 4.557 1.00 0.00 C ATOM 332 OG1 THR A 25 12.351 13.839 3.832 1.00 0.00 O ATOM 333 CG2 THR A 25 11.734 11.848 5.051 1.00 0.00 C ATOM 0 H THR A 25 9.326 14.875 4.500 1.00 0.00 H new ATOM 0 HA THR A 25 10.356 12.896 2.636 1.00 0.00 H new ATOM 0 HB THR A 25 11.025 13.829 5.419 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.139 13.915 4.410 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.616 11.961 5.682 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.932 11.388 5.628 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.977 11.215 4.198 1.00 0.00 H new ATOM 341 N ASP A 26 8.387 12.183 5.184 1.00 0.00 N ATOM 342 CA ASP A 26 7.518 11.158 5.750 1.00 0.00 C ATOM 343 C ASP A 26 6.772 10.410 4.649 1.00 0.00 C ATOM 344 O ASP A 26 6.772 9.180 4.611 1.00 0.00 O ATOM 345 CB ASP A 26 6.519 11.785 6.724 1.00 0.00 C ATOM 346 CG ASP A 26 7.109 11.990 8.105 1.00 0.00 C ATOM 347 OD1 ASP A 26 8.314 12.305 8.195 1.00 0.00 O ATOM 348 OD2 ASP A 26 6.365 11.835 9.097 1.00 0.00 O ATOM 0 H ASP A 26 8.323 13.091 5.645 1.00 0.00 H new ATOM 0 HA ASP A 26 8.142 10.446 6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.184 12.744 6.329 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.639 11.146 6.799 1.00 0.00 H new ATOM 353 N SER A 27 6.137 11.162 3.755 1.00 0.00 N ATOM 354 CA SER A 27 5.383 10.570 2.656 1.00 0.00 C ATOM 355 C SER A 27 6.291 9.725 1.768 1.00 0.00 C ATOM 356 O SER A 27 7.245 10.231 1.175 1.00 0.00 O ATOM 357 CB SER A 27 4.710 11.663 1.824 1.00 0.00 C ATOM 358 OG SER A 27 3.735 12.356 2.585 1.00 0.00 O ATOM 0 H SER A 27 6.130 12.182 3.770 1.00 0.00 H new ATOM 0 HA SER A 27 4.616 9.923 3.081 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.462 12.365 1.464 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.242 11.219 0.945 1.00 0.00 H new ATOM 0 HG SER A 27 3.321 13.050 2.031 1.00 0.00 H new ATOM 364 N LEU A 28 5.987 8.435 1.680 1.00 0.00 N ATOM 365 CA LEU A 28 6.775 7.517 0.864 1.00 0.00 C ATOM 366 C LEU A 28 6.443 7.683 -0.615 1.00 0.00 C ATOM 367 O LEU A 28 5.393 8.216 -0.972 1.00 0.00 O ATOM 368 CB LEU A 28 6.521 6.072 1.297 1.00 0.00 C ATOM 369 CG LEU A 28 6.692 5.778 2.787 1.00 0.00 C ATOM 370 CD1 LEU A 28 6.158 4.394 3.123 1.00 0.00 C ATOM 371 CD2 LEU A 28 8.155 5.899 3.190 1.00 0.00 C ATOM 0 H LEU A 28 5.201 8.001 2.163 1.00 0.00 H new ATOM 0 HA LEU A 28 7.829 7.753 1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.506 5.800 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.196 5.423 0.739 1.00 0.00 H new ATOM 0 HG LEU A 28 6.118 6.513 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.288 4.202 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.099 4.342 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.704 3.644 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.258 5.686 4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.750 5.187 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.506 6.911 2.987 1.00 0.00 H new ATOM 383 N LYS A 29 7.346 7.221 -1.474 1.00 0.00 N ATOM 384 CA LYS A 29 7.150 7.314 -2.916 1.00 0.00 C ATOM 385 C LYS A 29 6.493 6.048 -3.458 1.00 0.00 C ATOM 386 O LYS A 29 7.105 4.980 -3.481 1.00 0.00 O ATOM 387 CB LYS A 29 8.488 7.548 -3.620 1.00 0.00 C ATOM 388 CG LYS A 29 8.345 8.052 -5.046 1.00 0.00 C ATOM 389 CD LYS A 29 9.637 8.674 -5.549 1.00 0.00 C ATOM 390 CE LYS A 29 9.784 8.511 -7.054 1.00 0.00 C ATOM 391 NZ LYS A 29 8.866 9.414 -7.802 1.00 0.00 N ATOM 0 H LYS A 29 8.222 6.778 -1.196 1.00 0.00 H new ATOM 0 HA LYS A 29 6.490 8.159 -3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.070 8.269 -3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.053 6.616 -3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.060 7.226 -5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.543 8.788 -5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.656 9.733 -5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.486 8.209 -5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.814 8.720 -7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.579 7.476 -7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.997 9.273 -8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.882 9.198 -7.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.078 10.403 -7.559 1.00 0.00 H new ATOM 405 N LEU A 30 5.245 6.176 -3.895 1.00 0.00 N ATOM 406 CA LEU A 30 4.505 5.042 -4.439 1.00 0.00 C ATOM 407 C LEU A 30 4.688 4.948 -5.951 1.00 0.00 C ATOM 408 O LEU A 30 4.919 5.953 -6.623 1.00 0.00 O ATOM 409 CB LEU A 30 3.019 5.168 -4.101 1.00 0.00 C ATOM 410 CG LEU A 30 2.676 5.283 -2.615 1.00 0.00 C ATOM 411 CD1 LEU A 30 1.177 5.451 -2.425 1.00 0.00 C ATOM 412 CD2 LEU A 30 3.178 4.063 -1.856 1.00 0.00 C ATOM 0 H LEU A 30 4.724 7.053 -3.883 1.00 0.00 H new ATOM 0 HA LEU A 30 4.898 4.132 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.623 6.045 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.500 4.300 -4.507 1.00 0.00 H new ATOM 0 HG LEU A 30 3.174 6.166 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.952 5.531 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.845 6.355 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.658 4.588 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.925 4.162 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.709 3.165 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.260 3.987 -1.964 1.00 0.00 H new ATOM 424 N LYS A 31 4.581 3.734 -6.480 1.00 0.00 N ATOM 425 CA LYS A 31 4.731 3.507 -7.912 1.00 0.00 C ATOM 426 C LYS A 31 3.920 2.294 -8.359 1.00 0.00 C ATOM 427 O LYS A 31 3.728 1.347 -7.595 1.00 0.00 O ATOM 428 CB LYS A 31 6.206 3.306 -8.266 1.00 0.00 C ATOM 429 CG LYS A 31 6.439 2.952 -9.725 1.00 0.00 C ATOM 430 CD LYS A 31 6.428 4.189 -10.607 1.00 0.00 C ATOM 431 CE LYS A 31 7.819 4.789 -10.745 1.00 0.00 C ATOM 432 NZ LYS A 31 8.632 4.073 -11.767 1.00 0.00 N ATOM 0 H LYS A 31 4.391 2.891 -5.938 1.00 0.00 H new ATOM 0 HA LYS A 31 4.355 4.386 -8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.755 4.218 -8.030 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.617 2.515 -7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.395 2.439 -9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.668 2.258 -10.060 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.043 3.930 -11.593 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.751 4.932 -10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.736 5.841 -11.019 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.329 4.750 -9.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.573 4.511 -11.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.733 3.075 -11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.158 4.132 -12.691 1.00 0.00 H new ATOM 446 N LYS A 32 3.447 2.329 -9.600 1.00 0.00 N ATOM 447 CA LYS A 32 2.660 1.232 -10.150 1.00 0.00 C ATOM 448 C LYS A 32 3.384 -0.099 -9.976 1.00 0.00 C ATOM 449 O LYS A 32 4.361 -0.380 -10.670 1.00 0.00 O ATOM 450 CB LYS A 32 2.371 1.478 -11.633 1.00 0.00 C ATOM 451 CG LYS A 32 1.135 0.755 -12.139 1.00 0.00 C ATOM 452 CD LYS A 32 0.565 1.427 -13.377 1.00 0.00 C ATOM 453 CE LYS A 32 -0.905 1.086 -13.570 1.00 0.00 C ATOM 454 NZ LYS A 32 -1.462 1.709 -14.802 1.00 0.00 N ATOM 0 H LYS A 32 3.595 3.106 -10.244 1.00 0.00 H new ATOM 0 HA LYS A 32 1.717 1.186 -9.605 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.249 2.548 -11.798 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.233 1.161 -12.220 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.386 -0.280 -12.369 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.378 0.733 -11.355 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.681 2.507 -13.292 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.130 1.114 -14.255 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.022 0.004 -13.625 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.473 1.424 -12.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.465 1.453 -14.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.373 2.743 -14.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.937 1.367 -15.632 1.00 0.00 H new ATOM 468 N GLY A 33 2.898 -0.915 -9.046 1.00 0.00 N ATOM 469 CA GLY A 33 3.511 -2.207 -8.799 1.00 0.00 C ATOM 470 C GLY A 33 4.489 -2.173 -7.641 1.00 0.00 C ATOM 471 O GLY A 33 5.578 -2.743 -7.722 1.00 0.00 O ATOM 0 H GLY A 33 2.091 -0.705 -8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.733 -2.941 -8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.030 -2.538 -9.699 1.00 0.00 H new ATOM 475 N ASP A 34 4.102 -1.503 -6.562 1.00 0.00 N ATOM 476 CA ASP A 34 4.952 -1.397 -5.382 1.00 0.00 C ATOM 477 C ASP A 34 4.255 -1.976 -4.155 1.00 0.00 C ATOM 478 O ASP A 34 3.205 -1.487 -3.738 1.00 0.00 O ATOM 479 CB ASP A 34 5.329 0.064 -5.129 1.00 0.00 C ATOM 480 CG ASP A 34 6.334 0.586 -6.136 1.00 0.00 C ATOM 481 OD1 ASP A 34 6.158 0.319 -7.342 1.00 0.00 O ATOM 482 OD2 ASP A 34 7.299 1.261 -5.717 1.00 0.00 O ATOM 0 H ASP A 34 3.205 -1.025 -6.480 1.00 0.00 H new ATOM 0 HA ASP A 34 5.860 -1.972 -5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.430 0.679 -5.165 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.742 0.161 -4.125 1.00 0.00 H new ATOM 487 N ILE A 35 4.845 -3.019 -3.583 1.00 0.00 N ATOM 488 CA ILE A 35 4.280 -3.664 -2.404 1.00 0.00 C ATOM 489 C ILE A 35 4.678 -2.927 -1.130 1.00 0.00 C ATOM 490 O ILE A 35 5.790 -2.409 -1.022 1.00 0.00 O ATOM 491 CB ILE A 35 4.731 -5.133 -2.296 1.00 0.00 C ATOM 492 CG1 ILE A 35 4.333 -5.906 -3.555 1.00 0.00 C ATOM 493 CG2 ILE A 35 4.130 -5.781 -1.057 1.00 0.00 C ATOM 494 CD1 ILE A 35 2.842 -5.921 -3.808 1.00 0.00 C ATOM 0 H ILE A 35 5.714 -3.436 -3.916 1.00 0.00 H new ATOM 0 HA ILE A 35 3.196 -3.632 -2.516 1.00 0.00 H new ATOM 0 HB ILE A 35 5.817 -5.159 -2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.835 -5.465 -4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.689 -6.933 -3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.457 -6.819 -0.994 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.459 -5.242 -0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.042 -5.747 -1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.633 -6.486 -4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.334 -6.389 -2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.483 -4.899 -3.926 1.00 0.00 H new ATOM 506 N ILE A 36 3.763 -2.884 -0.167 1.00 0.00 N ATOM 507 CA ILE A 36 4.020 -2.213 1.101 1.00 0.00 C ATOM 508 C ILE A 36 3.588 -3.079 2.279 1.00 0.00 C ATOM 509 O ILE A 36 2.496 -3.648 2.277 1.00 0.00 O ATOM 510 CB ILE A 36 3.290 -0.859 1.178 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.751 0.059 0.044 1.00 0.00 C ATOM 512 CG2 ILE A 36 3.533 -0.203 2.530 1.00 0.00 C ATOM 513 CD1 ILE A 36 2.741 1.125 -0.318 1.00 0.00 C ATOM 0 H ILE A 36 2.837 -3.306 -0.241 1.00 0.00 H new ATOM 0 HA ILE A 36 5.095 -2.041 1.156 1.00 0.00 H new ATOM 0 HB ILE A 36 2.220 -1.033 1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.686 0.539 0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.962 -0.545 -0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.011 0.753 2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.161 -0.853 3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.602 -0.039 2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.134 1.739 -1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.812 0.653 -0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.547 1.753 0.552 1.00 0.00 H new ATOM 525 N ASP A 37 4.451 -3.174 3.285 1.00 0.00 N ATOM 526 CA ASP A 37 4.157 -3.968 4.472 1.00 0.00 C ATOM 527 C ASP A 37 3.626 -3.087 5.598 1.00 0.00 C ATOM 528 O ASP A 37 4.390 -2.391 6.268 1.00 0.00 O ATOM 529 CB ASP A 37 5.411 -4.711 4.937 1.00 0.00 C ATOM 530 CG ASP A 37 5.603 -6.030 4.215 1.00 0.00 C ATOM 531 OD1 ASP A 37 4.898 -7.002 4.557 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.460 -6.090 3.308 1.00 0.00 O ATOM 0 H ASP A 37 5.360 -2.711 3.302 1.00 0.00 H new ATOM 0 HA ASP A 37 3.388 -4.695 4.211 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.285 -4.080 4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.345 -4.893 6.010 1.00 0.00 H new ATOM 537 N ILE A 38 2.313 -3.120 5.799 1.00 0.00 N ATOM 538 CA ILE A 38 1.680 -2.325 6.843 1.00 0.00 C ATOM 539 C ILE A 38 2.119 -2.787 8.229 1.00 0.00 C ATOM 540 O ILE A 38 1.913 -3.941 8.604 1.00 0.00 O ATOM 541 CB ILE A 38 0.144 -2.397 6.754 1.00 0.00 C ATOM 542 CG1 ILE A 38 -0.324 -2.036 5.343 1.00 0.00 C ATOM 543 CG2 ILE A 38 -0.491 -1.472 7.781 1.00 0.00 C ATOM 544 CD1 ILE A 38 -1.742 -2.472 5.046 1.00 0.00 C ATOM 0 H ILE A 38 1.667 -3.689 5.252 1.00 0.00 H new ATOM 0 HA ILE A 38 1.997 -1.294 6.688 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.170 -3.418 6.971 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.249 -0.957 5.209 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.348 -2.495 4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.577 -1.535 7.705 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.179 -1.771 8.782 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.173 -0.447 7.593 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.006 -2.183 4.029 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.819 -3.555 5.147 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.425 -1.993 5.748 1.00 0.00 H new ATOM 556 N ILE A 39 2.725 -1.877 8.985 1.00 0.00 N ATOM 557 CA ILE A 39 3.191 -2.191 10.330 1.00 0.00 C ATOM 558 C ILE A 39 2.128 -1.858 11.371 1.00 0.00 C ATOM 559 O ILE A 39 1.912 -2.616 12.316 1.00 0.00 O ATOM 560 CB ILE A 39 4.484 -1.427 10.670 1.00 0.00 C ATOM 561 CG1 ILE A 39 5.589 -1.779 9.672 1.00 0.00 C ATOM 562 CG2 ILE A 39 4.927 -1.741 12.091 1.00 0.00 C ATOM 563 CD1 ILE A 39 5.632 -0.862 8.470 1.00 0.00 C ATOM 0 H ILE A 39 2.904 -0.917 8.689 1.00 0.00 H new ATOM 0 HA ILE A 39 3.395 -3.262 10.352 1.00 0.00 H new ATOM 0 HB ILE A 39 4.285 -0.358 10.600 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.552 -1.743 10.181 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.447 -2.805 9.332 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.842 -1.193 12.316 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.145 -1.444 12.790 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.112 -2.811 12.187 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.439 -1.171 7.806 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.683 -0.916 7.937 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.805 0.162 8.800 1.00 0.00 H new ATOM 575 N SER A 40 1.467 -0.719 11.191 1.00 0.00 N ATOM 576 CA SER A 40 0.427 -0.284 12.116 1.00 0.00 C ATOM 577 C SER A 40 -0.722 0.383 11.367 1.00 0.00 C ATOM 578 O SER A 40 -0.510 1.278 10.548 1.00 0.00 O ATOM 579 CB SER A 40 1.007 0.684 13.149 1.00 0.00 C ATOM 580 OG SER A 40 0.189 0.746 14.305 1.00 0.00 O ATOM 0 H SER A 40 1.633 -0.081 10.413 1.00 0.00 H new ATOM 0 HA SER A 40 0.040 -1.164 12.630 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.012 0.365 13.427 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.098 1.678 12.710 1.00 0.00 H new ATOM 0 HG SER A 40 0.582 1.370 14.951 1.00 0.00 H new ATOM 586 N LYS A 41 -1.942 -0.059 11.653 1.00 0.00 N ATOM 587 CA LYS A 41 -3.128 0.494 11.008 1.00 0.00 C ATOM 588 C LYS A 41 -3.911 1.376 11.975 1.00 0.00 C ATOM 589 O LYS A 41 -4.640 0.893 12.842 1.00 0.00 O ATOM 590 CB LYS A 41 -4.024 -0.633 10.490 1.00 0.00 C ATOM 591 CG LYS A 41 -3.436 -1.381 9.305 1.00 0.00 C ATOM 592 CD LYS A 41 -4.439 -2.354 8.707 1.00 0.00 C ATOM 593 CE LYS A 41 -5.507 -1.630 7.902 1.00 0.00 C ATOM 594 NZ LYS A 41 -6.588 -1.092 8.773 1.00 0.00 N ATOM 0 H LYS A 41 -2.136 -0.799 12.328 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.802 1.106 10.167 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.210 -1.339 11.299 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.989 -0.216 10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.121 -0.668 8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.545 -1.924 9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.919 -3.066 8.066 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.910 -2.928 9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.050 -0.813 7.344 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.937 -2.314 7.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.514 -1.349 8.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.497 -1.494 9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.509 -0.056 8.824 1.00 0.00 H new ATOM 608 N PRO A 42 -3.759 2.700 11.825 1.00 0.00 N ATOM 609 CA PRO A 42 -4.446 3.677 12.675 1.00 0.00 C ATOM 610 C PRO A 42 -5.947 3.720 12.412 1.00 0.00 C ATOM 611 O PRO A 42 -6.438 3.224 11.398 1.00 0.00 O ATOM 612 CB PRO A 42 -3.796 5.007 12.284 1.00 0.00 C ATOM 613 CG PRO A 42 -3.304 4.793 10.894 1.00 0.00 C ATOM 614 CD PRO A 42 -2.906 3.345 10.814 1.00 0.00 C ATOM 0 HA PRO A 42 -4.350 3.435 13.733 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.513 5.827 12.328 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.979 5.262 12.959 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.080 5.025 10.165 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.457 5.443 10.675 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.081 2.935 9.820 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.847 3.207 11.034 1.00 0.00 H new ATOM 622 N PRO A 43 -6.695 4.328 13.345 1.00 0.00 N ATOM 623 CA PRO A 43 -8.152 4.451 13.235 1.00 0.00 C ATOM 624 C PRO A 43 -8.570 5.416 12.131 1.00 0.00 C ATOM 625 O PRO A 43 -9.446 5.108 11.323 1.00 0.00 O ATOM 626 CB PRO A 43 -8.566 4.993 14.605 1.00 0.00 C ATOM 627 CG PRO A 43 -7.359 5.702 15.113 1.00 0.00 C ATOM 628 CD PRO A 43 -6.177 4.941 14.579 1.00 0.00 C ATOM 0 HA PRO A 43 -8.623 3.503 12.977 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.417 5.669 14.522 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.863 4.187 15.276 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.343 6.737 14.773 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.349 5.724 16.203 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.333 5.600 14.376 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.831 4.188 15.287 1.00 0.00 H new ATOM 636 N MET A 44 -7.938 6.585 12.102 1.00 0.00 N ATOM 637 CA MET A 44 -8.245 7.595 11.096 1.00 0.00 C ATOM 638 C MET A 44 -6.969 8.256 10.583 1.00 0.00 C ATOM 639 O MET A 44 -6.110 8.659 11.365 1.00 0.00 O ATOM 640 CB MET A 44 -9.185 8.654 11.674 1.00 0.00 C ATOM 641 CG MET A 44 -10.468 8.078 12.251 1.00 0.00 C ATOM 642 SD MET A 44 -11.688 7.691 10.982 1.00 0.00 S ATOM 643 CE MET A 44 -12.770 9.113 11.108 1.00 0.00 C ATOM 0 H MET A 44 -7.210 6.856 12.763 1.00 0.00 H new ATOM 0 HA MET A 44 -8.739 7.100 10.260 1.00 0.00 H new ATOM 0 HB2 MET A 44 -8.661 9.206 12.454 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.437 9.370 10.892 1.00 0.00 H new ATOM 0 HG2 MET A 44 -10.235 7.174 12.813 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.896 8.790 12.956 1.00 0.00 H new ATOM 0 HE1 MET A 44 -13.579 9.020 10.383 1.00 0.00 H new ATOM 0 HE2 MET A 44 -13.188 9.164 12.113 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.203 10.021 10.904 1.00 0.00 H new ATOM 653 N GLY A 45 -6.853 8.363 9.263 1.00 0.00 N ATOM 654 CA GLY A 45 -5.678 8.975 8.669 1.00 0.00 C ATOM 655 C GLY A 45 -4.905 8.013 7.790 1.00 0.00 C ATOM 656 O GLY A 45 -5.409 6.951 7.424 1.00 0.00 O ATOM 0 H GLY A 45 -7.551 8.037 8.594 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.982 9.839 8.077 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.025 9.344 9.460 1.00 0.00 H new ATOM 660 N THR A 46 -3.675 8.386 7.446 1.00 0.00 N ATOM 661 CA THR A 46 -2.832 7.550 6.602 1.00 0.00 C ATOM 662 C THR A 46 -2.344 6.319 7.358 1.00 0.00 C ATOM 663 O THR A 46 -2.286 6.318 8.588 1.00 0.00 O ATOM 664 CB THR A 46 -1.613 8.331 6.076 1.00 0.00 C ATOM 665 OG1 THR A 46 -0.987 9.042 7.150 1.00 0.00 O ATOM 666 CG2 THR A 46 -2.026 9.309 4.987 1.00 0.00 C ATOM 0 H THR A 46 -3.242 9.262 7.740 1.00 0.00 H new ATOM 0 HA THR A 46 -3.445 7.235 5.758 1.00 0.00 H new ATOM 0 HB THR A 46 -0.907 7.617 5.652 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.566 9.856 6.802 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.149 9.849 4.631 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.476 8.762 4.159 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.749 10.018 5.390 1.00 0.00 H new ATOM 674 N TRP A 47 -1.995 5.275 6.616 1.00 0.00 N ATOM 675 CA TRP A 47 -1.511 4.037 7.218 1.00 0.00 C ATOM 676 C TRP A 47 0.012 4.025 7.289 1.00 0.00 C ATOM 677 O TRP A 47 0.676 4.887 6.713 1.00 0.00 O ATOM 678 CB TRP A 47 -2.007 2.830 6.420 1.00 0.00 C ATOM 679 CG TRP A 47 -3.436 2.479 6.700 1.00 0.00 C ATOM 680 CD1 TRP A 47 -4.257 3.060 7.625 1.00 0.00 C ATOM 681 CD2 TRP A 47 -4.213 1.466 6.052 1.00 0.00 C ATOM 682 NE1 TRP A 47 -5.497 2.468 7.590 1.00 0.00 N ATOM 683 CE2 TRP A 47 -5.496 1.488 6.633 1.00 0.00 C ATOM 684 CE3 TRP A 47 -3.950 0.543 5.036 1.00 0.00 C ATOM 685 CZ2 TRP A 47 -6.510 0.623 6.232 1.00 0.00 C ATOM 686 CZ3 TRP A 47 -4.958 -0.315 4.638 1.00 0.00 C ATOM 687 CH2 TRP A 47 -6.225 -0.270 5.235 1.00 0.00 C ATOM 0 H TRP A 47 -2.038 5.260 5.597 1.00 0.00 H new ATOM 0 HA TRP A 47 -1.903 3.978 8.233 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.893 3.036 5.356 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.378 1.970 6.648 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -3.973 3.866 8.286 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.290 2.718 8.181 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -2.977 0.501 4.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.487 0.655 6.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.766 -1.032 3.854 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.992 -0.954 4.902 1.00 0.00 H new ATOM 698 N MET A 48 0.559 3.043 7.998 1.00 0.00 N ATOM 699 CA MET A 48 2.005 2.920 8.142 1.00 0.00 C ATOM 700 C MET A 48 2.506 1.625 7.510 1.00 0.00 C ATOM 701 O MET A 48 2.152 0.531 7.949 1.00 0.00 O ATOM 702 CB MET A 48 2.398 2.964 9.620 1.00 0.00 C ATOM 703 CG MET A 48 3.900 2.941 9.851 1.00 0.00 C ATOM 704 SD MET A 48 4.353 3.427 11.527 1.00 0.00 S ATOM 705 CE MET A 48 4.255 5.211 11.401 1.00 0.00 C ATOM 0 H MET A 48 0.024 2.322 8.481 1.00 0.00 H new ATOM 0 HA MET A 48 2.469 3.760 7.625 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.983 3.865 10.071 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.947 2.115 10.133 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.279 1.938 9.653 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.383 3.611 9.140 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.237 5.644 11.594 1.00 0.00 H new ATOM 0 HE2 MET A 48 3.927 5.488 10.399 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.542 5.589 12.134 1.00 0.00 H new ATOM 715 N GLY A 49 3.330 1.756 6.475 1.00 0.00 N ATOM 716 CA GLY A 49 3.865 0.588 5.799 1.00 0.00 C ATOM 717 C GLY A 49 5.327 0.749 5.434 1.00 0.00 C ATOM 718 O GLY A 49 5.789 1.858 5.161 1.00 0.00 O ATOM 0 H GLY A 49 3.637 2.650 6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.748 -0.285 6.441 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.287 0.399 4.895 1.00 0.00 H new ATOM 722 N LEU A 50 6.059 -0.360 5.429 1.00 0.00 N ATOM 723 CA LEU A 50 7.479 -0.338 5.096 1.00 0.00 C ATOM 724 C LEU A 50 7.691 -0.546 3.600 1.00 0.00 C ATOM 725 O LEU A 50 7.088 -1.434 2.994 1.00 0.00 O ATOM 726 CB LEU A 50 8.224 -1.417 5.883 1.00 0.00 C ATOM 727 CG LEU A 50 9.736 -1.483 5.664 1.00 0.00 C ATOM 728 CD1 LEU A 50 10.427 -0.315 6.351 1.00 0.00 C ATOM 729 CD2 LEU A 50 10.291 -2.806 6.172 1.00 0.00 C ATOM 0 H LEU A 50 5.693 -1.285 5.652 1.00 0.00 H new ATOM 0 HA LEU A 50 7.875 0.640 5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.037 -1.258 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.797 -2.386 5.626 1.00 0.00 H new ATOM 0 HG LEU A 50 9.932 -1.416 4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.502 -0.379 6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.051 0.622 5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.223 -0.350 7.421 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.368 -2.836 6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.083 -2.902 7.238 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.819 -3.629 5.635 1.00 0.00 H new ATOM 741 N LEU A 51 8.551 0.276 3.009 1.00 0.00 N ATOM 742 CA LEU A 51 8.844 0.181 1.583 1.00 0.00 C ATOM 743 C LEU A 51 10.281 0.606 1.294 1.00 0.00 C ATOM 744 O LEU A 51 10.685 1.722 1.616 1.00 0.00 O ATOM 745 CB LEU A 51 7.873 1.051 0.783 1.00 0.00 C ATOM 746 CG LEU A 51 8.225 1.271 -0.688 1.00 0.00 C ATOM 747 CD1 LEU A 51 8.147 -0.038 -1.458 1.00 0.00 C ATOM 748 CD2 LEU A 51 7.302 2.311 -1.307 1.00 0.00 C ATOM 0 H LEU A 51 9.058 1.016 3.495 1.00 0.00 H new ATOM 0 HA LEU A 51 8.723 -0.859 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.883 0.598 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.804 2.024 1.269 1.00 0.00 H new ATOM 0 HG LEU A 51 9.249 1.642 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.401 0.139 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.849 -0.754 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.135 -0.439 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.567 2.455 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.270 1.969 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.408 3.255 -0.773 1.00 0.00 H new ATOM 760 N ASN A 52 11.045 -0.293 0.682 1.00 0.00 N ATOM 761 CA ASN A 52 12.437 -0.011 0.347 1.00 0.00 C ATOM 762 C ASN A 52 13.211 0.447 1.579 1.00 0.00 C ATOM 763 O ASN A 52 13.951 1.428 1.531 1.00 0.00 O ATOM 764 CB ASN A 52 12.513 1.060 -0.744 1.00 0.00 C ATOM 765 CG ASN A 52 12.257 0.495 -2.128 1.00 0.00 C ATOM 766 OD1 ASN A 52 11.104 0.826 -2.697 1.00 0.00 O flip ATOM 767 ND2 ASN A 52 13.085 -0.231 -2.678 1.00 0.00 N flip ATOM 0 H ASN A 52 10.725 -1.222 0.408 1.00 0.00 H new ATOM 0 HA ASN A 52 12.890 -0.931 -0.023 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.783 1.842 -0.533 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.497 1.528 -0.722 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.958 -0.459 -2.203 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.898 -0.604 -3.609 1.00 0.00 H new ATOM 774 N ASN A 53 13.034 -0.273 2.683 1.00 0.00 N ATOM 775 CA ASN A 53 13.716 0.059 3.928 1.00 0.00 C ATOM 776 C ASN A 53 13.368 1.474 4.379 1.00 0.00 C ATOM 777 O ASN A 53 14.197 2.174 4.961 1.00 0.00 O ATOM 778 CB ASN A 53 15.231 -0.075 3.756 1.00 0.00 C ATOM 779 CG ASN A 53 15.706 -1.507 3.913 1.00 0.00 C ATOM 780 OD1 ASN A 53 14.998 -2.450 3.559 1.00 0.00 O ATOM 781 ND2 ASN A 53 16.910 -1.675 4.447 1.00 0.00 N ATOM 0 H ASN A 53 12.425 -1.089 2.740 1.00 0.00 H new ATOM 0 HA ASN A 53 13.380 -0.640 4.694 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.516 0.294 2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 53 15.734 0.555 4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 53 17.283 -2.615 4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 53 17.462 -0.864 4.726 1.00 0.00 H new ATOM 788 N LYS A 54 12.135 1.889 4.108 1.00 0.00 N ATOM 789 CA LYS A 54 11.674 3.219 4.487 1.00 0.00 C ATOM 790 C LYS A 54 10.187 3.204 4.824 1.00 0.00 C ATOM 791 O LYS A 54 9.342 3.031 3.945 1.00 0.00 O ATOM 792 CB LYS A 54 11.942 4.215 3.356 1.00 0.00 C ATOM 793 CG LYS A 54 11.606 5.652 3.718 1.00 0.00 C ATOM 794 CD LYS A 54 11.963 6.608 2.593 1.00 0.00 C ATOM 795 CE LYS A 54 10.985 6.496 1.435 1.00 0.00 C ATOM 796 NZ LYS A 54 11.578 6.983 0.158 1.00 0.00 N ATOM 0 H LYS A 54 11.437 1.322 3.627 1.00 0.00 H new ATOM 0 HA LYS A 54 12.226 3.529 5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.993 4.157 3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.360 3.924 2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.542 5.733 3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.144 5.936 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.966 7.631 2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.972 6.396 2.240 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.677 5.457 1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.087 7.071 1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.880 6.890 -0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.849 7.982 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.420 6.418 -0.072 1.00 0.00 H new ATOM 810 N VAL A 55 9.873 3.388 6.103 1.00 0.00 N ATOM 811 CA VAL A 55 8.487 3.398 6.555 1.00 0.00 C ATOM 812 C VAL A 55 7.982 4.824 6.748 1.00 0.00 C ATOM 813 O VAL A 55 8.670 5.664 7.327 1.00 0.00 O ATOM 814 CB VAL A 55 8.322 2.624 7.876 1.00 0.00 C ATOM 815 CG1 VAL A 55 9.397 3.032 8.872 1.00 0.00 C ATOM 816 CG2 VAL A 55 6.934 2.849 8.456 1.00 0.00 C ATOM 0 H VAL A 55 10.559 3.532 6.844 1.00 0.00 H new ATOM 0 HA VAL A 55 7.898 2.909 5.780 1.00 0.00 H new ATOM 0 HB VAL A 55 8.436 1.560 7.670 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.264 2.475 9.799 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.380 2.814 8.455 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.318 4.100 9.076 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.835 2.294 9.389 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.788 3.912 8.648 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.183 2.502 7.747 1.00 0.00 H new ATOM 826 N GLY A 56 6.774 5.090 6.260 1.00 0.00 N ATOM 827 CA GLY A 56 6.197 6.415 6.389 1.00 0.00 C ATOM 828 C GLY A 56 4.683 6.385 6.446 1.00 0.00 C ATOM 829 O GLY A 56 4.099 5.734 7.313 1.00 0.00 O ATOM 0 H GLY A 56 6.185 4.411 5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.582 6.889 7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.514 7.029 5.546 1.00 0.00 H new ATOM 833 N THR A 57 4.043 7.093 5.520 1.00 0.00 N ATOM 834 CA THR A 57 2.588 7.148 5.470 1.00 0.00 C ATOM 835 C THR A 57 2.087 7.165 4.030 1.00 0.00 C ATOM 836 O THR A 57 2.571 7.940 3.204 1.00 0.00 O ATOM 837 CB THR A 57 2.046 8.388 6.205 1.00 0.00 C ATOM 838 OG1 THR A 57 2.469 9.580 5.532 1.00 0.00 O ATOM 839 CG2 THR A 57 2.528 8.416 7.647 1.00 0.00 C ATOM 0 H THR A 57 4.511 7.636 4.794 1.00 0.00 H new ATOM 0 HA THR A 57 2.221 6.251 5.969 1.00 0.00 H new ATOM 0 HB THR A 57 0.957 8.337 6.204 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.639 9.380 4.588 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.132 9.301 8.146 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.180 7.522 8.164 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.617 8.445 7.666 1.00 0.00 H new ATOM 847 N PHE A 58 1.116 6.308 3.735 1.00 0.00 N ATOM 848 CA PHE A 58 0.550 6.225 2.394 1.00 0.00 C ATOM 849 C PHE A 58 -0.975 6.231 2.446 1.00 0.00 C ATOM 850 O PHE A 58 -1.576 5.818 3.438 1.00 0.00 O ATOM 851 CB PHE A 58 1.043 4.960 1.687 1.00 0.00 C ATOM 852 CG PHE A 58 0.524 3.691 2.299 1.00 0.00 C ATOM 853 CD1 PHE A 58 -0.801 3.320 2.140 1.00 0.00 C ATOM 854 CD2 PHE A 58 1.362 2.868 3.034 1.00 0.00 C ATOM 855 CE1 PHE A 58 -1.281 2.152 2.703 1.00 0.00 C ATOM 856 CE2 PHE A 58 0.889 1.699 3.599 1.00 0.00 C ATOM 857 CZ PHE A 58 -0.435 1.340 3.432 1.00 0.00 C ATOM 0 H PHE A 58 0.704 5.661 4.407 1.00 0.00 H new ATOM 0 HA PHE A 58 0.880 7.099 1.832 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.743 4.998 0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.133 4.944 1.706 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.467 3.950 1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.398 3.144 3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.317 1.875 2.573 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.553 1.067 4.170 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.807 0.426 3.871 1.00 0.00 H new ATOM 867 N LYS A 59 -1.595 6.704 1.370 1.00 0.00 N ATOM 868 CA LYS A 59 -3.050 6.764 1.290 1.00 0.00 C ATOM 869 C LYS A 59 -3.629 5.413 0.884 1.00 0.00 C ATOM 870 O LYS A 59 -2.996 4.649 0.155 1.00 0.00 O ATOM 871 CB LYS A 59 -3.482 7.838 0.289 1.00 0.00 C ATOM 872 CG LYS A 59 -3.145 9.252 0.730 1.00 0.00 C ATOM 873 CD LYS A 59 -4.102 10.266 0.128 1.00 0.00 C ATOM 874 CE LYS A 59 -3.742 11.685 0.540 1.00 0.00 C ATOM 875 NZ LYS A 59 -4.587 12.696 -0.154 1.00 0.00 N ATOM 0 H LYS A 59 -1.113 7.051 0.541 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.433 7.021 2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.003 7.642 -0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.558 7.763 0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.184 9.314 1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.124 9.493 0.434 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.083 10.186 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.120 10.041 0.446 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.861 11.791 1.618 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.692 11.873 0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.310 13.650 0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.455 12.612 -1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.587 12.533 0.081 1.00 0.00 H new ATOM 889 N PHE A 60 -4.836 5.125 1.359 1.00 0.00 N ATOM 890 CA PHE A 60 -5.501 3.865 1.045 1.00 0.00 C ATOM 891 C PHE A 60 -6.202 3.943 -0.308 1.00 0.00 C ATOM 892 O PHE A 60 -6.349 2.936 -1.001 1.00 0.00 O ATOM 893 CB PHE A 60 -6.513 3.512 2.137 1.00 0.00 C ATOM 894 CG PHE A 60 -7.759 4.349 2.092 1.00 0.00 C ATOM 895 CD1 PHE A 60 -7.796 5.594 2.699 1.00 0.00 C ATOM 896 CD2 PHE A 60 -8.895 3.891 1.443 1.00 0.00 C ATOM 897 CE1 PHE A 60 -8.942 6.366 2.660 1.00 0.00 C ATOM 898 CE2 PHE A 60 -10.043 4.658 1.401 1.00 0.00 C ATOM 899 CZ PHE A 60 -10.066 5.898 2.009 1.00 0.00 C ATOM 0 H PHE A 60 -5.374 5.747 1.963 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.742 3.084 0.997 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.787 2.461 2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -6.040 3.631 3.112 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -6.919 5.966 3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.882 2.923 0.964 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.958 7.334 3.138 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.922 4.289 0.893 1.00 0.00 H new ATOM 0 HZ PHE A 60 -10.962 6.500 1.975 1.00 0.00 H new ATOM 909 N ILE A 61 -6.632 5.145 -0.676 1.00 0.00 N ATOM 910 CA ILE A 61 -7.317 5.355 -1.946 1.00 0.00 C ATOM 911 C ILE A 61 -6.371 5.142 -3.122 1.00 0.00 C ATOM 912 O ILE A 61 -6.770 5.255 -4.282 1.00 0.00 O ATOM 913 CB ILE A 61 -7.918 6.770 -2.034 1.00 0.00 C ATOM 914 CG1 ILE A 61 -6.811 7.824 -1.944 1.00 0.00 C ATOM 915 CG2 ILE A 61 -8.946 6.979 -0.933 1.00 0.00 C ATOM 916 CD1 ILE A 61 -7.323 9.245 -2.017 1.00 0.00 C ATOM 0 H ILE A 61 -6.518 5.988 -0.113 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.123 4.623 -1.995 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.419 6.877 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.268 7.690 -1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.099 7.661 -2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.361 7.984 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.746 6.247 -1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.468 6.857 0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.484 9.938 -1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.841 9.397 -2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.013 9.426 -1.193 1.00 0.00 H new ATOM 928 N TYR A 62 -5.117 4.830 -2.817 1.00 0.00 N ATOM 929 CA TYR A 62 -4.113 4.601 -3.849 1.00 0.00 C ATOM 930 C TYR A 62 -3.637 3.151 -3.835 1.00 0.00 C ATOM 931 O TYR A 62 -3.081 2.658 -4.816 1.00 0.00 O ATOM 932 CB TYR A 62 -2.923 5.541 -3.651 1.00 0.00 C ATOM 933 CG TYR A 62 -3.187 6.957 -4.113 1.00 0.00 C ATOM 934 CD1 TYR A 62 -3.829 7.870 -3.285 1.00 0.00 C ATOM 935 CD2 TYR A 62 -2.794 7.381 -5.376 1.00 0.00 C ATOM 936 CE1 TYR A 62 -4.073 9.164 -3.703 1.00 0.00 C ATOM 937 CE2 TYR A 62 -3.033 8.673 -5.802 1.00 0.00 C ATOM 938 CZ TYR A 62 -3.672 9.561 -4.962 1.00 0.00 C ATOM 939 OH TYR A 62 -3.913 10.849 -5.383 1.00 0.00 O ATOM 0 H TYR A 62 -4.771 4.730 -1.863 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.572 4.805 -4.817 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.655 5.556 -2.595 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.064 5.145 -4.193 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -4.142 7.563 -2.298 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.293 6.689 -6.036 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.575 9.861 -3.048 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.721 8.986 -6.787 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.567 10.966 -6.292 1.00 0.00 H new ATOM 949 N VAL A 63 -3.861 2.473 -2.713 1.00 0.00 N ATOM 950 CA VAL A 63 -3.458 1.079 -2.569 1.00 0.00 C ATOM 951 C VAL A 63 -4.673 0.162 -2.480 1.00 0.00 C ATOM 952 O VAL A 63 -5.779 0.608 -2.175 1.00 0.00 O ATOM 953 CB VAL A 63 -2.581 0.875 -1.319 1.00 0.00 C ATOM 954 CG1 VAL A 63 -1.395 1.827 -1.337 1.00 0.00 C ATOM 955 CG2 VAL A 63 -3.406 1.061 -0.055 1.00 0.00 C ATOM 0 H VAL A 63 -4.319 2.867 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.878 0.823 -3.456 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.197 -0.145 -1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.787 1.668 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.792 1.640 -2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.755 2.856 -1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.771 0.913 0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.821 2.069 -0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.218 0.334 -0.040 1.00 0.00 H new ATOM 965 N ASP A 64 -4.459 -1.121 -2.749 1.00 0.00 N ATOM 966 CA ASP A 64 -5.536 -2.102 -2.698 1.00 0.00 C ATOM 967 C ASP A 64 -5.237 -3.185 -1.666 1.00 0.00 C ATOM 968 O ASP A 64 -4.323 -3.991 -1.843 1.00 0.00 O ATOM 969 CB ASP A 64 -5.743 -2.736 -4.075 1.00 0.00 C ATOM 970 CG ASP A 64 -6.383 -4.108 -3.990 1.00 0.00 C ATOM 971 OD1 ASP A 64 -7.115 -4.361 -3.011 1.00 0.00 O ATOM 972 OD2 ASP A 64 -6.150 -4.929 -4.903 1.00 0.00 O ATOM 0 H ASP A 64 -3.550 -1.506 -3.005 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.450 -1.586 -2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.370 -2.083 -4.682 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.782 -2.817 -4.583 1.00 0.00 H new ATOM 977 N VAL A 65 -6.012 -3.196 -0.586 1.00 0.00 N ATOM 978 CA VAL A 65 -5.830 -4.179 0.475 1.00 0.00 C ATOM 979 C VAL A 65 -6.029 -5.597 -0.049 1.00 0.00 C ATOM 980 O VAL A 65 -7.148 -6.003 -0.365 1.00 0.00 O ATOM 981 CB VAL A 65 -6.805 -3.933 1.641 1.00 0.00 C ATOM 982 CG1 VAL A 65 -6.560 -4.932 2.762 1.00 0.00 C ATOM 983 CG2 VAL A 65 -6.677 -2.506 2.151 1.00 0.00 C ATOM 0 H VAL A 65 -6.772 -2.535 -0.423 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.808 -4.069 0.836 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.822 -4.074 1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.258 -4.743 3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.707 -5.944 2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.539 -4.826 3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.373 -2.350 2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.659 -2.334 2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.907 -1.809 1.345 1.00 0.00 H new ATOM 993 N LEU A 66 -4.936 -6.347 -0.139 1.00 0.00 N ATOM 994 CA LEU A 66 -4.990 -7.722 -0.624 1.00 0.00 C ATOM 995 C LEU A 66 -5.330 -8.687 0.507 1.00 0.00 C ATOM 996 O LEU A 66 -4.870 -8.520 1.637 1.00 0.00 O ATOM 997 CB LEU A 66 -3.653 -8.112 -1.258 1.00 0.00 C ATOM 998 CG LEU A 66 -3.068 -7.114 -2.258 1.00 0.00 C ATOM 999 CD1 LEU A 66 -1.637 -7.490 -2.611 1.00 0.00 C ATOM 1000 CD2 LEU A 66 -3.929 -7.048 -3.511 1.00 0.00 C ATOM 0 H LEU A 66 -4.002 -6.026 0.117 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.775 -7.785 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.926 -8.265 -0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.779 -9.070 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.059 -6.127 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.237 -6.769 -3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.026 -7.485 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.621 -8.486 -3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.498 -6.333 -4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.970 -8.033 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.937 -6.731 -3.244 1.00 0.00 H new ATOM 1012 N SER A 67 -6.135 -9.696 0.195 1.00 0.00 N ATOM 1013 CA SER A 67 -6.538 -10.687 1.186 1.00 0.00 C ATOM 1014 C SER A 67 -6.232 -12.100 0.697 1.00 0.00 C ATOM 1015 O SER A 67 -6.320 -12.388 -0.496 1.00 0.00 O ATOM 1016 CB SER A 67 -8.031 -10.554 1.494 1.00 0.00 C ATOM 1017 OG SER A 67 -8.804 -10.626 0.309 1.00 0.00 O ATOM 0 H SER A 67 -6.522 -9.850 -0.736 1.00 0.00 H new ATOM 0 HA SER A 67 -5.969 -10.505 2.098 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.336 -11.345 2.180 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.219 -9.606 1.997 1.00 0.00 H new ATOM 0 HG SER A 67 -9.754 -10.540 0.533 1.00 0.00 H new ATOM 1023 N SER A 68 -5.873 -12.977 1.629 1.00 0.00 N ATOM 1024 CA SER A 68 -5.551 -14.359 1.295 1.00 0.00 C ATOM 1025 C SER A 68 -6.346 -15.329 2.164 1.00 0.00 C ATOM 1026 O SER A 68 -6.064 -15.491 3.350 1.00 0.00 O ATOM 1027 CB SER A 68 -4.052 -14.612 1.469 1.00 0.00 C ATOM 1028 OG SER A 68 -3.673 -15.851 0.895 1.00 0.00 O ATOM 0 H SER A 68 -5.798 -12.755 2.622 1.00 0.00 H new ATOM 0 HA SER A 68 -5.823 -14.527 0.253 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.487 -13.804 1.003 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.800 -14.607 2.529 1.00 0.00 H new ATOM 0 HG SER A 68 -2.710 -15.988 1.018 1.00 0.00 H new ATOM 1034 N GLY A 69 -7.343 -15.971 1.563 1.00 0.00 N ATOM 1035 CA GLY A 69 -8.165 -16.916 2.296 1.00 0.00 C ATOM 1036 C GLY A 69 -9.117 -17.677 1.394 1.00 0.00 C ATOM 1037 O GLY A 69 -8.923 -18.859 1.107 1.00 0.00 O ATOM 0 H GLY A 69 -7.596 -15.854 0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.522 -17.623 2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.737 -16.383 3.056 1.00 0.00 H new ATOM 1041 N PRO A 70 -10.175 -16.994 0.934 1.00 0.00 N ATOM 1042 CA PRO A 70 -11.183 -17.594 0.054 1.00 0.00 C ATOM 1043 C PRO A 70 -10.638 -17.881 -1.341 1.00 0.00 C ATOM 1044 O PRO A 70 -10.363 -16.962 -2.112 1.00 0.00 O ATOM 1045 CB PRO A 70 -12.278 -16.526 -0.009 1.00 0.00 C ATOM 1046 CG PRO A 70 -11.575 -15.244 0.275 1.00 0.00 C ATOM 1047 CD PRO A 70 -10.469 -15.583 1.236 1.00 0.00 C ATOM 0 HA PRO A 70 -11.529 -18.558 0.427 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.756 -16.507 -0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.061 -16.719 0.724 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.176 -14.806 -0.640 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.257 -14.512 0.707 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.596 -14.949 1.083 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -10.782 -15.450 2.272 1.00 0.00 H new ATOM 1055 N SER A 71 -10.484 -19.163 -1.658 1.00 0.00 N ATOM 1056 CA SER A 71 -9.968 -19.571 -2.959 1.00 0.00 C ATOM 1057 C SER A 71 -10.619 -20.872 -3.418 1.00 0.00 C ATOM 1058 O SER A 71 -10.786 -21.806 -2.633 1.00 0.00 O ATOM 1059 CB SER A 71 -8.449 -19.742 -2.899 1.00 0.00 C ATOM 1060 OG SER A 71 -7.794 -18.485 -2.909 1.00 0.00 O ATOM 0 H SER A 71 -10.709 -19.936 -1.032 1.00 0.00 H new ATOM 0 HA SER A 71 -10.210 -18.789 -3.679 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.177 -20.290 -1.997 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.113 -20.338 -3.748 1.00 0.00 H new ATOM 0 HG SER A 71 -8.457 -17.770 -2.817 1.00 0.00 H new ATOM 1066 N SER A 72 -10.985 -20.926 -4.695 1.00 0.00 N ATOM 1067 CA SER A 72 -11.622 -22.111 -5.258 1.00 0.00 C ATOM 1068 C SER A 72 -10.962 -22.507 -6.576 1.00 0.00 C ATOM 1069 O SER A 72 -10.671 -21.658 -7.417 1.00 0.00 O ATOM 1070 CB SER A 72 -13.114 -21.858 -5.478 1.00 0.00 C ATOM 1071 OG SER A 72 -13.323 -20.779 -6.372 1.00 0.00 O ATOM 0 H SER A 72 -10.851 -20.163 -5.359 1.00 0.00 H new ATOM 0 HA SER A 72 -11.501 -22.930 -4.549 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.584 -22.758 -5.874 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.594 -21.641 -4.524 1.00 0.00 H new ATOM 0 HG SER A 72 -14.285 -20.639 -6.497 1.00 0.00 H new ATOM 1077 N GLY A 73 -10.730 -23.805 -6.747 1.00 0.00 N ATOM 1078 CA GLY A 73 -10.106 -24.292 -7.964 1.00 0.00 C ATOM 1079 C GLY A 73 -8.855 -25.103 -7.689 1.00 0.00 C ATOM 1080 O GLY A 73 -8.906 -26.332 -7.626 1.00 0.00 O ATOM 0 H GLY A 73 -10.963 -24.527 -6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.819 -24.905 -8.514 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.854 -23.446 -8.603 1.00 0.00 H new TER 1084 GLY A 73