USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 569 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 28 ASN : amide:sc= 0.589 K(o=0.56,f=-0.57) USER MOD Set 1.2: A 37 MET CE :methyl -159:sc= -0.0303 (180deg=-0.261) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= -2.5! C(o=-3.9!,f=-2.5!) USER MOD Single : A 11 THR OG1 : rot 51:sc= 0.283 USER MOD Single : A 23 GLN : amide:sc= -0.676 K(o=-0.68,f=-6.6!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.041 X(o=-0.041,f=0) USER MOD Single : A 56 SER OG : rot -78:sc= 0.477 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.242) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0361 X(o=-0.036,f=-0.38) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 78 TYR OH : rot 30:sc= -2.2! USER MOD Single : A 79 SER OG : rot 180:sc= -2.72 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 8 8.388 -11.224 0.714 1.00 0.00 N ATOM 17 CA LEU A 8 9.004 -12.530 0.926 1.00 0.00 C ATOM 18 C LEU A 8 10.483 -12.501 0.553 1.00 0.00 C ATOM 19 O LEU A 8 11.007 -11.470 0.132 1.00 0.00 O ATOM 20 CB LEU A 8 8.280 -13.597 0.104 1.00 0.00 C ATOM 21 CG LEU A 8 8.140 -13.312 -1.392 1.00 0.00 C ATOM 22 CD1 LEU A 8 9.396 -13.737 -2.136 1.00 0.00 C ATOM 23 CD2 LEU A 8 6.917 -14.019 -1.958 1.00 0.00 C ATOM 0 HA LEU A 8 8.920 -12.777 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.810 -14.542 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.283 -13.735 0.522 1.00 0.00 H new ATOM 0 HG LEU A 8 8.008 -12.238 -1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.278 -13.527 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.252 -13.184 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.559 -14.805 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.833 -13.805 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.018 -15.094 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.022 -13.665 -1.446 1.00 0.00 H new ATOM 35 N SER A 9 11.150 -13.640 0.709 1.00 0.00 N ATOM 36 CA SER A 9 12.569 -13.745 0.390 1.00 0.00 C ATOM 37 C SER A 9 12.793 -14.696 -0.782 1.00 0.00 C ATOM 38 O SER A 9 11.850 -15.290 -1.303 1.00 0.00 O ATOM 39 CB SER A 9 13.353 -14.228 1.611 1.00 0.00 C ATOM 40 OG SER A 9 13.806 -13.136 2.391 1.00 0.00 O ATOM 0 H SER A 9 10.730 -14.503 1.054 1.00 0.00 H new ATOM 0 HA SER A 9 12.927 -12.755 0.106 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.722 -14.876 2.219 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.205 -14.826 1.287 1.00 0.00 H new ATOM 0 HG SER A 9 14.303 -13.472 3.166 1.00 0.00 H new ATOM 46 N ASN A 10 14.050 -14.835 -1.190 1.00 0.00 N ATOM 47 CA ASN A 10 14.400 -15.713 -2.301 1.00 0.00 C ATOM 48 C ASN A 10 14.658 -17.134 -1.810 1.00 0.00 C ATOM 49 O ASN A 10 14.108 -18.098 -2.346 1.00 0.00 O ATOM 50 CB ASN A 10 15.637 -15.181 -3.029 1.00 0.00 C ATOM 51 CG ASN A 10 15.658 -15.573 -4.494 1.00 0.00 C ATOM 52 OD1 ASN A 10 16.625 -16.402 -4.870 1.00 0.00 O flip ATOM 53 ND2 ASN A 10 14.816 -15.136 -5.277 1.00 0.00 N flip ATOM 0 H ASN A 10 14.843 -14.351 -0.768 1.00 0.00 H new ATOM 0 HA ASN A 10 13.559 -15.733 -2.994 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.665 -14.095 -2.946 1.00 0.00 H new ATOM 0 HB3 ASN A 10 16.534 -15.561 -2.541 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.091 -14.501 -4.944 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.843 -15.409 -6.260 1.00 0.00 H new ATOM 60 N THR A 11 15.498 -17.259 -0.787 1.00 0.00 N ATOM 61 CA THR A 11 15.829 -18.561 -0.224 1.00 0.00 C ATOM 62 C THR A 11 15.676 -18.560 1.293 1.00 0.00 C ATOM 63 O THR A 11 16.612 -18.226 2.020 1.00 0.00 O ATOM 64 CB THR A 11 17.267 -18.980 -0.583 1.00 0.00 C ATOM 65 OG1 THR A 11 18.173 -17.906 -0.305 1.00 0.00 O ATOM 66 CG2 THR A 11 17.367 -19.367 -2.051 1.00 0.00 C ATOM 0 H THR A 11 15.962 -16.473 -0.332 1.00 0.00 H new ATOM 0 HA THR A 11 15.131 -19.278 -0.656 1.00 0.00 H new ATOM 0 HB THR A 11 17.533 -19.846 0.024 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.025 -17.581 0.608 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.392 -19.659 -2.281 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.697 -20.203 -2.253 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.084 -18.517 -2.672 1.00 0.00 H new ATOM 74 N ARG A 12 14.491 -18.935 1.764 1.00 0.00 N ATOM 75 CA ARG A 12 14.217 -18.976 3.195 1.00 0.00 C ATOM 76 C ARG A 12 12.789 -19.444 3.461 1.00 0.00 C ATOM 77 O ARG A 12 11.827 -18.838 2.988 1.00 0.00 O ATOM 78 CB ARG A 12 14.436 -17.596 3.818 1.00 0.00 C ATOM 79 CG ARG A 12 15.277 -17.626 5.084 1.00 0.00 C ATOM 80 CD ARG A 12 15.726 -16.231 5.488 1.00 0.00 C ATOM 81 NE ARG A 12 16.879 -16.265 6.384 1.00 0.00 N ATOM 82 CZ ARG A 12 17.247 -15.241 7.147 1.00 0.00 C ATOM 83 NH1 ARG A 12 16.556 -14.110 7.122 1.00 0.00 N ATOM 84 NH2 ARG A 12 18.308 -15.349 7.937 1.00 0.00 N ATOM 0 H ARG A 12 13.706 -19.215 1.176 1.00 0.00 H new ATOM 0 HA ARG A 12 14.906 -19.687 3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.919 -16.949 3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.467 -17.152 4.046 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.701 -18.073 5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.150 -18.259 4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.977 -15.658 4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.902 -15.712 5.978 1.00 0.00 H new ATOM 0 HE ARG A 12 17.432 -17.121 6.426 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.740 -14.024 6.516 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.840 -13.326 7.709 1.00 0.00 H new ATOM 0 HH21 ARG A 12 18.841 -16.218 7.959 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.590 -14.563 8.522 1.00 0.00 H new ATOM 98 N LEU A 13 12.659 -20.526 4.221 1.00 0.00 N ATOM 99 CA LEU A 13 11.349 -21.077 4.550 1.00 0.00 C ATOM 100 C LEU A 13 11.175 -21.204 6.060 1.00 0.00 C ATOM 101 O LEU A 13 11.961 -21.873 6.732 1.00 0.00 O ATOM 102 CB LEU A 13 11.167 -22.444 3.888 1.00 0.00 C ATOM 103 CG LEU A 13 11.888 -22.645 2.554 1.00 0.00 C ATOM 104 CD1 LEU A 13 11.546 -24.003 1.962 1.00 0.00 C ATOM 105 CD2 LEU A 13 11.530 -21.531 1.581 1.00 0.00 C ATOM 0 H LEU A 13 13.445 -21.039 4.621 1.00 0.00 H new ATOM 0 HA LEU A 13 10.590 -20.393 4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.510 -23.210 4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.101 -22.610 3.731 1.00 0.00 H new ATOM 0 HG LEU A 13 12.962 -22.611 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.068 -24.128 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.854 -24.789 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.471 -24.067 1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.052 -21.690 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.454 -21.533 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.827 -20.571 2.002 1.00 0.00 H new ATOM 117 N PHE A 14 10.141 -20.558 6.588 1.00 0.00 N ATOM 118 CA PHE A 14 9.863 -20.600 8.019 1.00 0.00 C ATOM 119 C PHE A 14 8.870 -21.710 8.348 1.00 0.00 C ATOM 120 O PHE A 14 7.733 -21.702 7.876 1.00 0.00 O ATOM 121 CB PHE A 14 9.315 -19.252 8.493 1.00 0.00 C ATOM 122 CG PHE A 14 8.603 -19.325 9.814 1.00 0.00 C ATOM 123 CD1 PHE A 14 9.319 -19.356 11.000 1.00 0.00 C ATOM 124 CD2 PHE A 14 7.219 -19.364 9.869 1.00 0.00 C ATOM 125 CE1 PHE A 14 8.668 -19.423 12.217 1.00 0.00 C ATOM 126 CE2 PHE A 14 6.563 -19.430 11.083 1.00 0.00 C ATOM 127 CZ PHE A 14 7.288 -19.461 12.259 1.00 0.00 C ATOM 0 H PHE A 14 9.482 -19.999 6.047 1.00 0.00 H new ATOM 0 HA PHE A 14 10.798 -20.808 8.540 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.138 -18.542 8.572 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.629 -18.863 7.741 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.398 -19.327 10.973 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.647 -19.343 8.953 1.00 0.00 H new ATOM 0 HE1 PHE A 14 9.238 -19.446 13.134 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.484 -19.457 11.113 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.777 -19.515 13.209 1.00 0.00 H new ATOM 137 N VAL A 15 9.308 -22.666 9.162 1.00 0.00 N ATOM 138 CA VAL A 15 8.458 -23.783 9.556 1.00 0.00 C ATOM 139 C VAL A 15 7.900 -23.581 10.960 1.00 0.00 C ATOM 140 O VAL A 15 8.388 -22.743 11.718 1.00 0.00 O ATOM 141 CB VAL A 15 9.227 -25.117 9.508 1.00 0.00 C ATOM 142 CG1 VAL A 15 8.262 -26.285 9.374 1.00 0.00 C ATOM 143 CG2 VAL A 15 10.232 -25.111 8.366 1.00 0.00 C ATOM 0 H VAL A 15 10.246 -22.689 9.561 1.00 0.00 H new ATOM 0 HA VAL A 15 7.634 -23.821 8.843 1.00 0.00 H new ATOM 0 HB VAL A 15 9.775 -25.235 10.443 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.823 -27.219 9.342 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.585 -26.298 10.228 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.685 -26.177 8.456 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.766 -26.061 8.347 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.708 -24.970 7.421 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.943 -24.298 8.511 1.00 0.00 H new ATOM 153 N ARG A 16 6.874 -24.355 11.300 1.00 0.00 N ATOM 154 CA ARG A 16 6.248 -24.260 12.613 1.00 0.00 C ATOM 155 C ARG A 16 7.110 -24.935 13.676 1.00 0.00 C ATOM 156 O ARG A 16 8.075 -25.638 13.374 1.00 0.00 O ATOM 157 CB ARG A 16 4.858 -24.899 12.587 1.00 0.00 C ATOM 158 CG ARG A 16 4.803 -26.264 13.253 1.00 0.00 C ATOM 159 CD ARG A 16 3.472 -26.954 12.999 1.00 0.00 C ATOM 160 NE ARG A 16 2.347 -26.180 13.516 1.00 0.00 N ATOM 161 CZ ARG A 16 1.172 -26.713 13.834 1.00 0.00 C ATOM 162 NH1 ARG A 16 0.970 -28.015 13.689 1.00 0.00 N ATOM 163 NH2 ARG A 16 0.196 -25.943 14.298 1.00 0.00 N ATOM 0 H ARG A 16 6.459 -25.054 10.684 1.00 0.00 H new ATOM 0 HA ARG A 16 6.150 -23.204 12.865 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.152 -24.233 13.083 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.531 -24.996 11.552 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.615 -26.887 12.877 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.958 -26.153 14.326 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.343 -27.110 11.928 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.479 -27.939 13.466 1.00 0.00 H new ATOM 0 HE ARG A 16 2.470 -25.175 13.640 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.717 -28.610 13.333 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.067 -28.421 13.934 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.347 -24.941 14.411 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.705 -26.354 14.542 1.00 0.00 H new ATOM 177 N PRO A 17 6.755 -24.719 14.951 1.00 0.00 N ATOM 178 CA PRO A 17 7.483 -25.298 16.084 1.00 0.00 C ATOM 179 C PRO A 17 7.293 -26.807 16.185 1.00 0.00 C ATOM 180 O PRO A 17 6.167 -27.297 16.270 1.00 0.00 O ATOM 181 CB PRO A 17 6.864 -24.599 17.298 1.00 0.00 C ATOM 182 CG PRO A 17 5.499 -24.204 16.851 1.00 0.00 C ATOM 183 CD PRO A 17 5.616 -23.893 15.385 1.00 0.00 C ATOM 0 HA PRO A 17 8.559 -25.153 15.994 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.821 -25.265 18.160 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.450 -23.730 17.596 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.784 -25.009 17.023 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.142 -23.337 17.406 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.704 -24.150 14.846 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.800 -22.833 15.213 1.00 0.00 H new ATOM 191 N PHE A 18 8.402 -27.540 16.176 1.00 0.00 N ATOM 192 CA PHE A 18 8.357 -28.995 16.266 1.00 0.00 C ATOM 193 C PHE A 18 8.486 -29.454 17.716 1.00 0.00 C ATOM 194 O PHE A 18 8.997 -28.738 18.577 1.00 0.00 O ATOM 195 CB PHE A 18 9.473 -29.614 15.422 1.00 0.00 C ATOM 196 CG PHE A 18 9.341 -29.330 13.953 1.00 0.00 C ATOM 197 CD1 PHE A 18 9.764 -28.121 13.427 1.00 0.00 C ATOM 198 CD2 PHE A 18 8.793 -30.274 13.098 1.00 0.00 C ATOM 199 CE1 PHE A 18 9.643 -27.857 12.075 1.00 0.00 C ATOM 200 CE2 PHE A 18 8.669 -30.016 11.746 1.00 0.00 C ATOM 201 CZ PHE A 18 9.096 -28.806 11.234 1.00 0.00 C ATOM 0 H PHE A 18 9.342 -27.150 16.107 1.00 0.00 H new ATOM 0 HA PHE A 18 7.393 -29.329 15.882 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.434 -29.237 15.772 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.479 -30.693 15.576 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.193 -27.376 14.080 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.459 -31.222 13.493 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.976 -26.910 11.677 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.239 -30.759 11.091 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.002 -28.603 10.177 1.00 0.00 H new ATOM 211 N PRO A 19 8.011 -30.678 17.993 1.00 0.00 N ATOM 212 CA PRO A 19 8.062 -31.261 19.336 1.00 0.00 C ATOM 213 C PRO A 19 9.483 -31.609 19.765 1.00 0.00 C ATOM 214 O PRO A 19 10.454 -31.120 19.185 1.00 0.00 O ATOM 215 CB PRO A 19 7.217 -32.531 19.204 1.00 0.00 C ATOM 216 CG PRO A 19 7.296 -32.889 17.760 1.00 0.00 C ATOM 217 CD PRO A 19 7.389 -31.586 17.015 1.00 0.00 C ATOM 0 HA PRO A 19 7.699 -30.567 20.095 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.606 -33.332 19.833 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.187 -32.355 19.513 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.165 -33.516 17.560 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.417 -33.454 17.449 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.994 -31.681 16.113 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.407 -31.230 16.704 1.00 0.00 H new ATOM 225 N LEU A 20 9.600 -32.456 20.781 1.00 0.00 N ATOM 226 CA LEU A 20 10.904 -32.870 21.287 1.00 0.00 C ATOM 227 C LEU A 20 11.771 -33.430 20.164 1.00 0.00 C ATOM 228 O LEU A 20 12.993 -33.504 20.288 1.00 0.00 O ATOM 229 CB LEU A 20 10.736 -33.918 22.388 1.00 0.00 C ATOM 230 CG LEU A 20 10.020 -35.208 21.984 1.00 0.00 C ATOM 231 CD1 LEU A 20 11.014 -36.222 21.440 1.00 0.00 C ATOM 232 CD2 LEU A 20 9.257 -35.787 23.166 1.00 0.00 C ATOM 0 H LEU A 20 8.807 -32.870 21.271 1.00 0.00 H new ATOM 0 HA LEU A 20 11.401 -31.993 21.702 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.724 -34.178 22.768 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.187 -33.464 23.213 1.00 0.00 H new ATOM 0 HG LEU A 20 9.305 -34.973 21.196 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.487 -37.133 21.158 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.515 -35.807 20.565 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.754 -36.454 22.206 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.754 -36.704 22.860 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.953 -36.007 23.976 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.517 -35.065 23.510 1.00 0.00 H new ATOM 244 N ASP A 21 11.130 -33.820 19.068 1.00 0.00 N ATOM 245 CA ASP A 21 11.843 -34.370 17.920 1.00 0.00 C ATOM 246 C ASP A 21 12.265 -33.261 16.961 1.00 0.00 C ATOM 247 O ASP A 21 12.496 -33.506 15.776 1.00 0.00 O ATOM 248 CB ASP A 21 10.967 -35.388 17.189 1.00 0.00 C ATOM 249 CG ASP A 21 10.323 -36.383 18.135 1.00 0.00 C ATOM 250 OD1 ASP A 21 11.023 -37.315 18.581 1.00 0.00 O ATOM 251 OD2 ASP A 21 9.118 -36.229 18.428 1.00 0.00 O ATOM 0 H ASP A 21 10.118 -33.766 18.950 1.00 0.00 H new ATOM 0 HA ASP A 21 12.740 -34.870 18.285 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.189 -34.862 16.635 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.572 -35.925 16.458 1.00 0.00 H new ATOM 256 N VAL A 22 12.362 -32.041 17.480 1.00 0.00 N ATOM 257 CA VAL A 22 12.756 -30.895 16.669 1.00 0.00 C ATOM 258 C VAL A 22 14.252 -30.916 16.378 1.00 0.00 C ATOM 259 O VAL A 22 15.055 -30.422 17.169 1.00 0.00 O ATOM 260 CB VAL A 22 12.398 -29.568 17.363 1.00 0.00 C ATOM 261 CG1 VAL A 22 12.944 -29.542 18.783 1.00 0.00 C ATOM 262 CG2 VAL A 22 12.924 -28.388 16.560 1.00 0.00 C ATOM 0 H VAL A 22 12.173 -31.821 18.458 1.00 0.00 H new ATOM 0 HA VAL A 22 12.206 -30.966 15.731 1.00 0.00 H new ATOM 0 HB VAL A 22 11.312 -29.488 17.416 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.681 -28.596 19.257 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.514 -30.366 19.353 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.029 -29.645 18.758 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.662 -27.458 17.065 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.008 -28.461 16.474 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.479 -28.398 15.565 1.00 0.00 H new ATOM 272 N GLN A 23 14.620 -31.492 15.238 1.00 0.00 N ATOM 273 CA GLN A 23 16.021 -31.577 14.843 1.00 0.00 C ATOM 274 C GLN A 23 16.165 -31.496 13.327 1.00 0.00 C ATOM 275 O GLN A 23 15.183 -31.617 12.594 1.00 0.00 O ATOM 276 CB GLN A 23 16.639 -32.878 15.357 1.00 0.00 C ATOM 277 CG GLN A 23 15.916 -34.127 14.878 1.00 0.00 C ATOM 278 CD GLN A 23 16.377 -35.380 15.595 1.00 0.00 C ATOM 279 OE1 GLN A 23 16.752 -36.368 14.964 1.00 0.00 O ATOM 280 NE2 GLN A 23 16.353 -35.346 16.923 1.00 0.00 N ATOM 0 H GLN A 23 13.968 -31.906 14.572 1.00 0.00 H new ATOM 0 HA GLN A 23 16.549 -30.732 15.285 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.680 -32.926 15.038 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.640 -32.864 16.447 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.844 -34.001 15.028 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.076 -34.246 13.807 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.035 -34.506 17.406 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.653 -36.160 17.460 1.00 0.00 H new ATOM 289 N GLU A 24 17.394 -31.292 12.864 1.00 0.00 N ATOM 290 CA GLU A 24 17.664 -31.194 11.434 1.00 0.00 C ATOM 291 C GLU A 24 17.406 -32.528 10.739 1.00 0.00 C ATOM 292 O GLU A 24 17.170 -32.575 9.532 1.00 0.00 O ATOM 293 CB GLU A 24 19.110 -30.753 11.195 1.00 0.00 C ATOM 294 CG GLU A 24 20.141 -31.712 11.767 1.00 0.00 C ATOM 295 CD GLU A 24 21.537 -31.453 11.235 1.00 0.00 C ATOM 296 OE1 GLU A 24 22.226 -30.567 11.781 1.00 0.00 O ATOM 297 OE2 GLU A 24 21.941 -32.138 10.271 1.00 0.00 O ATOM 0 H GLU A 24 18.218 -31.191 13.457 1.00 0.00 H new ATOM 0 HA GLU A 24 16.990 -30.448 11.013 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.277 -30.650 10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.258 -29.768 11.637 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.149 -31.626 12.854 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.850 -32.736 11.531 1.00 0.00 H new ATOM 304 N SER A 25 17.453 -33.609 11.510 1.00 0.00 N ATOM 305 CA SER A 25 17.229 -34.944 10.969 1.00 0.00 C ATOM 306 C SER A 25 15.920 -35.001 10.187 1.00 0.00 C ATOM 307 O SER A 25 15.889 -35.446 9.040 1.00 0.00 O ATOM 308 CB SER A 25 17.207 -35.978 12.096 1.00 0.00 C ATOM 309 OG SER A 25 17.446 -37.283 11.597 1.00 0.00 O ATOM 0 H SER A 25 17.644 -33.587 12.512 1.00 0.00 H new ATOM 0 HA SER A 25 18.049 -35.175 10.289 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.963 -35.726 12.840 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.241 -35.950 12.601 1.00 0.00 H new ATOM 0 HG SER A 25 17.428 -37.925 12.337 1.00 0.00 H new ATOM 315 N GLU A 26 14.841 -34.546 10.817 1.00 0.00 N ATOM 316 CA GLU A 26 13.529 -34.545 10.181 1.00 0.00 C ATOM 317 C GLU A 26 13.468 -33.511 9.060 1.00 0.00 C ATOM 318 O GLU A 26 12.848 -33.740 8.021 1.00 0.00 O ATOM 319 CB GLU A 26 12.437 -34.259 11.214 1.00 0.00 C ATOM 320 CG GLU A 26 12.740 -33.066 12.105 1.00 0.00 C ATOM 321 CD GLU A 26 11.485 -32.409 12.646 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.534 -32.210 11.863 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.456 -32.094 13.854 1.00 0.00 O ATOM 0 H GLU A 26 14.850 -34.174 11.767 1.00 0.00 H new ATOM 0 HA GLU A 26 13.362 -35.532 9.750 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.494 -34.084 10.695 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.298 -35.142 11.838 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.365 -33.389 12.938 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.315 -32.332 11.540 1.00 0.00 H new ATOM 330 N LEU A 27 14.116 -32.372 9.279 1.00 0.00 N ATOM 331 CA LEU A 27 14.136 -31.301 8.289 1.00 0.00 C ATOM 332 C LEU A 27 14.761 -31.779 6.982 1.00 0.00 C ATOM 333 O LEU A 27 14.282 -31.450 5.897 1.00 0.00 O ATOM 334 CB LEU A 27 14.910 -30.096 8.827 1.00 0.00 C ATOM 335 CG LEU A 27 14.380 -29.482 10.124 1.00 0.00 C ATOM 336 CD1 LEU A 27 14.738 -28.006 10.201 1.00 0.00 C ATOM 337 CD2 LEU A 27 12.874 -29.675 10.228 1.00 0.00 C ATOM 0 H LEU A 27 14.634 -32.166 10.133 1.00 0.00 H new ATOM 0 HA LEU A 27 13.106 -31.004 8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.945 -30.397 8.987 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.918 -29.322 8.059 1.00 0.00 H new ATOM 0 HG LEU A 27 14.850 -29.992 10.965 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.353 -27.586 11.130 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.822 -27.893 10.173 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.296 -27.480 9.355 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.514 -29.232 11.157 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.386 -29.191 9.382 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.642 -30.740 10.220 1.00 0.00 H new ATOM 349 N ASN A 28 15.831 -32.558 7.095 1.00 0.00 N ATOM 350 CA ASN A 28 16.521 -33.083 5.922 1.00 0.00 C ATOM 351 C ASN A 28 15.736 -34.233 5.299 1.00 0.00 C ATOM 352 O ASN A 28 15.655 -34.352 4.077 1.00 0.00 O ATOM 353 CB ASN A 28 17.926 -33.556 6.300 1.00 0.00 C ATOM 354 CG ASN A 28 18.941 -32.430 6.277 1.00 0.00 C ATOM 355 OD1 ASN A 28 19.598 -32.192 5.263 1.00 0.00 O ATOM 356 ND2 ASN A 28 19.074 -31.730 7.398 1.00 0.00 N ATOM 0 H ASN A 28 16.239 -32.840 7.986 1.00 0.00 H new ATOM 0 HA ASN A 28 16.600 -32.281 5.188 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.902 -33.999 7.296 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.241 -34.339 5.610 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.742 -30.960 7.442 1.00 0.00 H new ATOM 0 HD22 ASN A 28 18.509 -31.962 8.215 1.00 0.00 H new ATOM 363 N GLU A 29 15.158 -35.077 6.148 1.00 0.00 N ATOM 364 CA GLU A 29 14.379 -36.218 5.680 1.00 0.00 C ATOM 365 C GLU A 29 13.055 -35.761 5.074 1.00 0.00 C ATOM 366 O GLU A 29 12.412 -36.502 4.330 1.00 0.00 O ATOM 367 CB GLU A 29 14.117 -37.192 6.831 1.00 0.00 C ATOM 368 CG GLU A 29 15.303 -38.085 7.154 1.00 0.00 C ATOM 369 CD GLU A 29 14.884 -39.468 7.614 1.00 0.00 C ATOM 370 OE1 GLU A 29 14.133 -39.561 8.607 1.00 0.00 O ATOM 371 OE2 GLU A 29 15.307 -40.457 6.980 1.00 0.00 O ATOM 0 H GLU A 29 15.214 -34.992 7.163 1.00 0.00 H new ATOM 0 HA GLU A 29 14.956 -36.727 4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.847 -36.625 7.722 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.260 -37.817 6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.936 -38.176 6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.906 -37.615 7.931 1.00 0.00 H new ATOM 378 N ILE A 30 12.654 -34.536 5.399 1.00 0.00 N ATOM 379 CA ILE A 30 11.408 -33.980 4.887 1.00 0.00 C ATOM 380 C ILE A 30 11.666 -33.044 3.711 1.00 0.00 C ATOM 381 O ILE A 30 11.113 -33.225 2.626 1.00 0.00 O ATOM 382 CB ILE A 30 10.642 -33.214 5.981 1.00 0.00 C ATOM 383 CG1 ILE A 30 10.182 -34.174 7.080 1.00 0.00 C ATOM 384 CG2 ILE A 30 9.453 -32.479 5.380 1.00 0.00 C ATOM 385 CD1 ILE A 30 9.839 -33.483 8.381 1.00 0.00 C ATOM 0 H ILE A 30 13.174 -33.910 6.014 1.00 0.00 H new ATOM 0 HA ILE A 30 10.801 -34.821 4.552 1.00 0.00 H new ATOM 0 HB ILE A 30 11.312 -32.478 6.425 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.309 -34.724 6.729 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.968 -34.907 7.263 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.922 -31.942 6.166 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.805 -31.770 4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.780 -33.197 4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.521 -34.224 9.114 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.717 -32.956 8.755 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.032 -32.770 8.213 1.00 0.00 H new ATOM 397 N PHE A 31 12.511 -32.043 3.934 1.00 0.00 N ATOM 398 CA PHE A 31 12.843 -31.077 2.893 1.00 0.00 C ATOM 399 C PHE A 31 13.927 -31.625 1.969 1.00 0.00 C ATOM 400 O PHE A 31 14.351 -30.957 1.027 1.00 0.00 O ATOM 401 CB PHE A 31 13.308 -29.760 3.518 1.00 0.00 C ATOM 402 CG PHE A 31 12.232 -29.049 4.288 1.00 0.00 C ATOM 403 CD1 PHE A 31 11.769 -29.560 5.490 1.00 0.00 C ATOM 404 CD2 PHE A 31 11.684 -27.870 3.810 1.00 0.00 C ATOM 405 CE1 PHE A 31 10.778 -28.908 6.200 1.00 0.00 C ATOM 406 CE2 PHE A 31 10.693 -27.214 4.515 1.00 0.00 C ATOM 407 CZ PHE A 31 10.241 -27.733 5.712 1.00 0.00 C ATOM 0 H PHE A 31 12.978 -31.879 4.826 1.00 0.00 H new ATOM 0 HA PHE A 31 11.945 -30.894 2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.148 -29.959 4.183 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.675 -29.102 2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.187 -30.478 5.876 1.00 0.00 H new ATOM 0 HD2 PHE A 31 12.035 -27.459 2.875 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.424 -29.317 7.135 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.273 -26.297 4.130 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.468 -27.221 6.266 1.00 0.00 H new ATOM 417 N GLY A 32 14.371 -32.847 2.247 1.00 0.00 N ATOM 418 CA GLY A 32 15.402 -33.465 1.434 1.00 0.00 C ATOM 419 C GLY A 32 15.021 -33.532 -0.032 1.00 0.00 C ATOM 420 O GLY A 32 15.698 -32.976 -0.897 1.00 0.00 O ATOM 0 H GLY A 32 14.035 -33.420 3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.330 -32.903 1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.596 -34.472 1.802 1.00 0.00 H new ATOM 424 N PRO A 33 13.913 -34.228 -0.328 1.00 0.00 N ATOM 425 CA PRO A 33 13.419 -34.383 -1.700 1.00 0.00 C ATOM 426 C PRO A 33 12.871 -33.079 -2.270 1.00 0.00 C ATOM 427 O PRO A 33 11.702 -32.998 -2.647 1.00 0.00 O ATOM 428 CB PRO A 33 12.300 -35.417 -1.558 1.00 0.00 C ATOM 429 CG PRO A 33 11.840 -35.287 -0.148 1.00 0.00 C ATOM 430 CD PRO A 33 13.057 -34.916 0.653 1.00 0.00 C ATOM 0 HA PRO A 33 14.210 -34.682 -2.387 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.488 -35.221 -2.259 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.663 -36.424 -1.765 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.067 -34.524 -0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.408 -36.222 0.209 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.804 -34.267 1.491 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.548 -35.796 1.068 1.00 0.00 H new ATOM 438 N PHE A 34 13.723 -32.061 -2.330 1.00 0.00 N ATOM 439 CA PHE A 34 13.323 -30.760 -2.853 1.00 0.00 C ATOM 440 C PHE A 34 14.506 -30.049 -3.505 1.00 0.00 C ATOM 441 O PHE A 34 14.371 -29.438 -4.564 1.00 0.00 O ATOM 442 CB PHE A 34 12.745 -29.891 -1.734 1.00 0.00 C ATOM 443 CG PHE A 34 11.322 -30.226 -1.390 1.00 0.00 C ATOM 444 CD1 PHE A 34 10.397 -30.490 -2.387 1.00 0.00 C ATOM 445 CD2 PHE A 34 10.909 -30.278 -0.068 1.00 0.00 C ATOM 446 CE1 PHE A 34 9.087 -30.799 -2.074 1.00 0.00 C ATOM 447 CE2 PHE A 34 9.600 -30.587 0.251 1.00 0.00 C ATOM 448 CZ PHE A 34 8.688 -30.847 -0.753 1.00 0.00 C ATOM 0 H PHE A 34 14.694 -32.112 -2.023 1.00 0.00 H new ATOM 0 HA PHE A 34 12.556 -30.922 -3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.362 -30.003 -0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.802 -28.844 -2.032 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.704 -30.454 -3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.618 -30.075 0.721 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.376 -31.003 -2.861 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.291 -30.625 1.285 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.665 -31.087 -0.505 1.00 0.00 H new ATOM 458 N GLY A 35 15.667 -30.133 -2.861 1.00 0.00 N ATOM 459 CA GLY A 35 16.857 -29.493 -3.391 1.00 0.00 C ATOM 460 C GLY A 35 17.965 -29.389 -2.363 1.00 0.00 C ATOM 461 O GLY A 35 17.799 -29.757 -1.200 1.00 0.00 O ATOM 0 H GLY A 35 15.804 -30.633 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.216 -30.057 -4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.601 -28.495 -3.747 1.00 0.00 H new ATOM 465 N PRO A 36 19.129 -28.877 -2.792 1.00 0.00 N ATOM 466 CA PRO A 36 20.293 -28.714 -1.915 1.00 0.00 C ATOM 467 C PRO A 36 20.084 -27.622 -0.872 1.00 0.00 C ATOM 468 O PRO A 36 20.344 -26.447 -1.129 1.00 0.00 O ATOM 469 CB PRO A 36 21.413 -28.323 -2.882 1.00 0.00 C ATOM 470 CG PRO A 36 20.713 -27.700 -4.040 1.00 0.00 C ATOM 471 CD PRO A 36 19.398 -28.417 -4.165 1.00 0.00 C ATOM 0 HA PRO A 36 20.502 -29.617 -1.342 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.110 -27.625 -2.419 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.991 -29.194 -3.191 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.561 -26.633 -3.876 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.301 -27.802 -4.952 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.612 -27.755 -4.528 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.460 -29.251 -4.864 1.00 0.00 H new ATOM 479 N MET A 37 19.614 -28.018 0.307 1.00 0.00 N ATOM 480 CA MET A 37 19.373 -27.072 1.390 1.00 0.00 C ATOM 481 C MET A 37 20.663 -26.364 1.791 1.00 0.00 C ATOM 482 O MET A 37 21.561 -26.971 2.375 1.00 0.00 O ATOM 483 CB MET A 37 18.775 -27.791 2.600 1.00 0.00 C ATOM 484 CG MET A 37 17.535 -28.607 2.271 1.00 0.00 C ATOM 485 SD MET A 37 17.445 -30.143 3.211 1.00 0.00 S ATOM 486 CE MET A 37 18.765 -31.084 2.450 1.00 0.00 C ATOM 0 H MET A 37 19.393 -28.987 0.536 1.00 0.00 H new ATOM 0 HA MET A 37 18.665 -26.324 1.034 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.530 -28.449 3.030 1.00 0.00 H new ATOM 0 HB3 MET A 37 18.523 -27.054 3.362 1.00 0.00 H new ATOM 0 HG2 MET A 37 16.647 -28.009 2.474 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.528 -28.837 1.205 1.00 0.00 H new ATOM 0 HE1 MET A 37 18.610 -32.146 2.638 1.00 0.00 H new ATOM 0 HE2 MET A 37 18.769 -30.902 1.375 1.00 0.00 H new ATOM 0 HE3 MET A 37 19.721 -30.777 2.873 1.00 0.00 H new ATOM 496 N LYS A 38 20.750 -25.077 1.473 1.00 0.00 N ATOM 497 CA LYS A 38 21.929 -24.285 1.801 1.00 0.00 C ATOM 498 C LYS A 38 22.197 -24.303 3.302 1.00 0.00 C ATOM 499 O LYS A 38 23.349 -24.316 3.736 1.00 0.00 O ATOM 500 CB LYS A 38 21.750 -22.842 1.322 1.00 0.00 C ATOM 501 CG LYS A 38 22.727 -22.438 0.232 1.00 0.00 C ATOM 502 CD LYS A 38 24.034 -21.927 0.816 1.00 0.00 C ATOM 503 CE LYS A 38 25.037 -23.053 1.008 1.00 0.00 C ATOM 504 NZ LYS A 38 26.427 -22.616 0.703 1.00 0.00 N ATOM 0 H LYS A 38 20.017 -24.560 0.988 1.00 0.00 H new ATOM 0 HA LYS A 38 22.785 -24.727 1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 38 20.733 -22.714 0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 38 21.867 -22.169 2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 38 22.926 -23.293 -0.415 1.00 0.00 H new ATOM 0 HG3 LYS A 38 22.279 -21.664 -0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 38 24.457 -21.170 0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 38 23.841 -21.443 1.773 1.00 0.00 H new ATOM 0 HE2 LYS A 38 24.987 -23.413 2.036 1.00 0.00 H new ATOM 0 HE3 LYS A 38 24.770 -23.891 0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 27.081 -23.412 0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 26.482 -22.297 -0.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 26.691 -21.833 1.335 1.00 0.00 H new ATOM 518 N GLU A 39 21.126 -24.305 4.090 1.00 0.00 N ATOM 519 CA GLU A 39 21.248 -24.323 5.543 1.00 0.00 C ATOM 520 C GLU A 39 19.904 -24.629 6.198 1.00 0.00 C ATOM 521 O GLU A 39 18.854 -24.528 5.563 1.00 0.00 O ATOM 522 CB GLU A 39 21.780 -22.981 6.049 1.00 0.00 C ATOM 523 CG GLU A 39 22.824 -23.114 7.146 1.00 0.00 C ATOM 524 CD GLU A 39 23.993 -23.988 6.736 1.00 0.00 C ATOM 525 OE1 GLU A 39 24.738 -23.590 5.817 1.00 0.00 O ATOM 526 OE2 GLU A 39 24.162 -25.071 7.335 1.00 0.00 O ATOM 0 H GLU A 39 20.165 -24.294 3.747 1.00 0.00 H new ATOM 0 HA GLU A 39 21.952 -25.110 5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 39 22.212 -22.432 5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 39 20.946 -22.387 6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 39 23.192 -22.124 7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 39 22.357 -23.533 8.038 1.00 0.00 H new ATOM 533 N VAL A 40 19.944 -25.003 7.473 1.00 0.00 N ATOM 534 CA VAL A 40 18.731 -25.323 8.214 1.00 0.00 C ATOM 535 C VAL A 40 18.868 -24.941 9.684 1.00 0.00 C ATOM 536 O VAL A 40 19.933 -25.098 10.281 1.00 0.00 O ATOM 537 CB VAL A 40 18.391 -26.823 8.115 1.00 0.00 C ATOM 538 CG1 VAL A 40 17.738 -27.135 6.778 1.00 0.00 C ATOM 539 CG2 VAL A 40 19.641 -27.666 8.317 1.00 0.00 C ATOM 0 H VAL A 40 20.804 -25.092 8.014 1.00 0.00 H new ATOM 0 HA VAL A 40 17.924 -24.744 7.764 1.00 0.00 H new ATOM 0 HB VAL A 40 17.682 -27.071 8.905 1.00 0.00 H new ATOM 0 HG11 VAL A 40 17.505 -28.199 6.726 1.00 0.00 H new ATOM 0 HG12 VAL A 40 16.819 -26.557 6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.421 -26.873 5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 40 19.383 -28.723 8.244 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.375 -27.418 7.550 1.00 0.00 H new ATOM 0 HG23 VAL A 40 20.062 -27.463 9.302 1.00 0.00 H new ATOM 549 N LYS A 41 17.783 -24.438 10.262 1.00 0.00 N ATOM 550 CA LYS A 41 17.779 -24.034 11.663 1.00 0.00 C ATOM 551 C LYS A 41 16.576 -24.619 12.396 1.00 0.00 C ATOM 552 O LYS A 41 15.454 -24.588 11.889 1.00 0.00 O ATOM 553 CB LYS A 41 17.764 -22.508 11.775 1.00 0.00 C ATOM 554 CG LYS A 41 18.855 -21.828 10.966 1.00 0.00 C ATOM 555 CD LYS A 41 18.403 -21.552 9.541 1.00 0.00 C ATOM 556 CE LYS A 41 18.609 -20.093 9.164 1.00 0.00 C ATOM 557 NZ LYS A 41 19.908 -19.877 8.469 1.00 0.00 N ATOM 0 H LYS A 41 16.894 -24.300 9.781 1.00 0.00 H new ATOM 0 HA LYS A 41 18.687 -24.418 12.128 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.794 -22.137 11.444 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.872 -22.228 12.823 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.136 -20.891 11.447 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.744 -22.458 10.951 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.958 -22.189 8.852 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.349 -21.811 9.436 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.793 -19.766 8.519 1.00 0.00 H new ATOM 0 HE3 LYS A 41 18.571 -19.477 10.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.010 -18.870 8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.688 -20.165 9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.934 -20.445 7.598 1.00 0.00 H new ATOM 571 N ILE A 42 16.817 -25.151 13.589 1.00 0.00 N ATOM 572 CA ILE A 42 15.753 -25.740 14.392 1.00 0.00 C ATOM 573 C ILE A 42 15.819 -25.255 15.836 1.00 0.00 C ATOM 574 O ILE A 42 16.724 -25.624 16.585 1.00 0.00 O ATOM 575 CB ILE A 42 15.822 -27.279 14.375 1.00 0.00 C ATOM 576 CG1 ILE A 42 17.238 -27.744 14.030 1.00 0.00 C ATOM 577 CG2 ILE A 42 14.816 -27.843 13.383 1.00 0.00 C ATOM 578 CD1 ILE A 42 17.514 -27.790 12.544 1.00 0.00 C ATOM 0 H ILE A 42 17.740 -25.186 14.021 1.00 0.00 H new ATOM 0 HA ILE A 42 14.810 -25.421 13.948 1.00 0.00 H new ATOM 0 HB ILE A 42 15.570 -27.651 15.368 1.00 0.00 H new ATOM 0 HG12 ILE A 42 17.957 -27.076 14.504 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.399 -28.736 14.452 1.00 0.00 H new ATOM 0 HG21 ILE A 42 14.877 -28.931 13.382 1.00 0.00 H new ATOM 0 HG22 ILE A 42 13.810 -27.536 13.670 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.039 -27.467 12.385 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.536 -28.128 12.374 1.00 0.00 H new ATOM 0 HD12 ILE A 42 16.819 -28.481 12.066 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.386 -26.794 12.119 1.00 0.00 H new ATOM 590 N LEU A 43 14.854 -24.427 16.221 1.00 0.00 N ATOM 591 CA LEU A 43 14.801 -23.892 17.577 1.00 0.00 C ATOM 592 C LEU A 43 13.466 -24.217 18.239 1.00 0.00 C ATOM 593 O LEU A 43 12.434 -24.287 17.574 1.00 0.00 O ATOM 594 CB LEU A 43 15.019 -22.378 17.557 1.00 0.00 C ATOM 595 CG LEU A 43 16.223 -21.883 16.755 1.00 0.00 C ATOM 596 CD1 LEU A 43 16.048 -20.420 16.378 1.00 0.00 C ATOM 597 CD2 LEU A 43 17.509 -22.083 17.544 1.00 0.00 C ATOM 0 H LEU A 43 14.098 -24.112 15.613 1.00 0.00 H new ATOM 0 HA LEU A 43 15.596 -24.360 18.158 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.122 -21.907 17.155 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.126 -22.033 18.585 1.00 0.00 H new ATOM 0 HG LEU A 43 16.289 -22.468 15.838 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.914 -20.085 15.808 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.149 -20.305 15.773 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.955 -19.820 17.283 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.355 -21.725 16.957 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.453 -21.525 18.478 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.641 -23.143 17.762 1.00 0.00 H new ATOM 609 N ASN A 44 13.495 -24.412 19.553 1.00 0.00 N ATOM 610 CA ASN A 44 12.286 -24.728 20.305 1.00 0.00 C ATOM 611 C ASN A 44 11.286 -23.578 20.236 1.00 0.00 C ATOM 612 O ASN A 44 11.290 -22.685 21.083 1.00 0.00 O ATOM 613 CB ASN A 44 12.633 -25.029 21.765 1.00 0.00 C ATOM 614 CG ASN A 44 13.480 -26.278 21.912 1.00 0.00 C ATOM 615 OD1 ASN A 44 14.655 -26.206 22.274 1.00 0.00 O ATOM 616 ND2 ASN A 44 12.886 -27.432 21.631 1.00 0.00 N ATOM 0 H ASN A 44 14.342 -24.357 20.119 1.00 0.00 H new ATOM 0 HA ASN A 44 11.830 -25.611 19.857 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.166 -24.179 22.191 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.713 -25.148 22.337 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.406 -28.306 21.712 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.910 -27.444 21.335 1.00 0.00 H new ATOM 623 N GLY A 45 10.429 -23.606 19.219 1.00 0.00 N ATOM 624 CA GLY A 45 9.435 -22.562 19.058 1.00 0.00 C ATOM 625 C GLY A 45 9.249 -22.158 17.609 1.00 0.00 C ATOM 626 O GLY A 45 8.209 -21.613 17.237 1.00 0.00 O ATOM 0 H GLY A 45 10.406 -24.333 18.504 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.483 -22.906 19.461 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.731 -21.689 19.640 1.00 0.00 H new ATOM 630 N PHE A 46 10.260 -22.423 16.788 1.00 0.00 N ATOM 631 CA PHE A 46 10.204 -22.080 15.371 1.00 0.00 C ATOM 632 C PHE A 46 11.338 -22.754 14.604 1.00 0.00 C ATOM 633 O PHE A 46 12.384 -23.068 15.170 1.00 0.00 O ATOM 634 CB PHE A 46 10.280 -20.563 15.188 1.00 0.00 C ATOM 635 CG PHE A 46 10.960 -19.856 16.325 1.00 0.00 C ATOM 636 CD1 PHE A 46 12.271 -20.155 16.660 1.00 0.00 C ATOM 637 CD2 PHE A 46 10.290 -18.890 17.058 1.00 0.00 C ATOM 638 CE1 PHE A 46 12.899 -19.506 17.706 1.00 0.00 C ATOM 639 CE2 PHE A 46 10.912 -18.237 18.105 1.00 0.00 C ATOM 640 CZ PHE A 46 12.219 -18.545 18.429 1.00 0.00 C ATOM 0 H PHE A 46 11.127 -22.874 17.079 1.00 0.00 H new ATOM 0 HA PHE A 46 9.255 -22.439 14.973 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.813 -20.343 14.263 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.270 -20.167 15.076 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.808 -20.904 16.097 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.269 -18.644 16.808 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.920 -19.750 17.958 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.377 -17.487 18.669 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.708 -18.036 19.246 1.00 0.00 H new ATOM 650 N ALA A 47 11.121 -22.974 13.311 1.00 0.00 N ATOM 651 CA ALA A 47 12.124 -23.609 12.465 1.00 0.00 C ATOM 652 C ALA A 47 12.337 -22.818 11.179 1.00 0.00 C ATOM 653 O ALA A 47 11.436 -22.123 10.709 1.00 0.00 O ATOM 654 CB ALA A 47 11.716 -25.039 12.146 1.00 0.00 C ATOM 0 H ALA A 47 10.259 -22.722 12.827 1.00 0.00 H new ATOM 0 HA ALA A 47 13.067 -23.625 13.011 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.474 -25.501 11.514 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.622 -25.606 13.072 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.760 -25.036 11.623 1.00 0.00 H new ATOM 660 N PHE A 48 13.535 -22.928 10.615 1.00 0.00 N ATOM 661 CA PHE A 48 13.868 -22.221 9.383 1.00 0.00 C ATOM 662 C PHE A 48 14.663 -23.118 8.439 1.00 0.00 C ATOM 663 O PHE A 48 15.444 -23.962 8.878 1.00 0.00 O ATOM 664 CB PHE A 48 14.668 -20.955 9.697 1.00 0.00 C ATOM 665 CG PHE A 48 13.951 -20.005 10.613 1.00 0.00 C ATOM 666 CD1 PHE A 48 13.940 -20.217 11.982 1.00 0.00 C ATOM 667 CD2 PHE A 48 13.290 -18.898 10.105 1.00 0.00 C ATOM 668 CE1 PHE A 48 13.281 -19.345 12.827 1.00 0.00 C ATOM 669 CE2 PHE A 48 12.629 -18.022 10.946 1.00 0.00 C ATOM 670 CZ PHE A 48 12.626 -18.245 12.309 1.00 0.00 C ATOM 0 H PHE A 48 14.292 -23.500 10.991 1.00 0.00 H new ATOM 0 HA PHE A 48 12.937 -21.941 8.891 1.00 0.00 H new ATOM 0 HB2 PHE A 48 15.618 -21.238 10.151 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.901 -20.441 8.764 1.00 0.00 H new ATOM 0 HD1 PHE A 48 14.453 -21.074 12.393 1.00 0.00 H new ATOM 0 HD2 PHE A 48 13.291 -18.718 9.040 1.00 0.00 H new ATOM 0 HE1 PHE A 48 13.278 -19.523 13.892 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.116 -17.164 10.538 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.113 -17.561 12.968 1.00 0.00 H new ATOM 680 N VAL A 49 14.458 -22.929 7.140 1.00 0.00 N ATOM 681 CA VAL A 49 15.156 -23.719 6.133 1.00 0.00 C ATOM 682 C VAL A 49 15.522 -22.868 4.922 1.00 0.00 C ATOM 683 O VAL A 49 14.648 -22.375 4.210 1.00 0.00 O ATOM 684 CB VAL A 49 14.302 -24.914 5.666 1.00 0.00 C ATOM 685 CG1 VAL A 49 15.048 -25.727 4.620 1.00 0.00 C ATOM 686 CG2 VAL A 49 13.912 -25.784 6.852 1.00 0.00 C ATOM 0 H VAL A 49 13.814 -22.235 6.760 1.00 0.00 H new ATOM 0 HA VAL A 49 16.067 -24.092 6.600 1.00 0.00 H new ATOM 0 HB VAL A 49 13.389 -24.531 5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 49 14.429 -26.566 4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 49 15.272 -25.096 3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 49 15.978 -26.103 5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 49 13.309 -26.623 6.505 1.00 0.00 H new ATOM 0 HG22 VAL A 49 14.812 -26.160 7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 49 13.335 -25.193 7.563 1.00 0.00 H new ATOM 696 N GLU A 50 16.822 -22.699 4.696 1.00 0.00 N ATOM 697 CA GLU A 50 17.304 -21.906 3.571 1.00 0.00 C ATOM 698 C GLU A 50 17.820 -22.807 2.452 1.00 0.00 C ATOM 699 O GLU A 50 18.858 -23.454 2.591 1.00 0.00 O ATOM 700 CB GLU A 50 18.411 -20.954 4.027 1.00 0.00 C ATOM 701 CG GLU A 50 19.070 -20.197 2.887 1.00 0.00 C ATOM 702 CD GLU A 50 19.841 -18.981 3.363 1.00 0.00 C ATOM 703 OE1 GLU A 50 20.000 -18.823 4.592 1.00 0.00 O ATOM 704 OE2 GLU A 50 20.286 -18.187 2.507 1.00 0.00 O ATOM 0 H GLU A 50 17.559 -23.100 5.276 1.00 0.00 H new ATOM 0 HA GLU A 50 16.468 -21.321 3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.994 -20.237 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.171 -21.524 4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.746 -20.866 2.355 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.307 -19.883 2.175 1.00 0.00 H new ATOM 711 N PHE A 51 17.088 -22.843 1.344 1.00 0.00 N ATOM 712 CA PHE A 51 17.470 -23.665 0.202 1.00 0.00 C ATOM 713 C PHE A 51 18.501 -22.946 -0.664 1.00 0.00 C ATOM 714 O PHE A 51 18.482 -21.722 -0.782 1.00 0.00 O ATOM 715 CB PHE A 51 16.239 -24.015 -0.636 1.00 0.00 C ATOM 716 CG PHE A 51 15.575 -25.296 -0.220 1.00 0.00 C ATOM 717 CD1 PHE A 51 16.183 -26.517 -0.463 1.00 0.00 C ATOM 718 CD2 PHE A 51 14.344 -25.279 0.415 1.00 0.00 C ATOM 719 CE1 PHE A 51 15.574 -27.698 -0.082 1.00 0.00 C ATOM 720 CE2 PHE A 51 13.730 -26.457 0.799 1.00 0.00 C ATOM 721 CZ PHE A 51 14.346 -27.668 0.551 1.00 0.00 C ATOM 0 H PHE A 51 16.227 -22.312 1.213 1.00 0.00 H new ATOM 0 HA PHE A 51 17.916 -24.585 0.581 1.00 0.00 H new ATOM 0 HB2 PHE A 51 15.517 -23.201 -0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 51 16.532 -24.090 -1.683 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.144 -26.546 -0.956 1.00 0.00 H new ATOM 0 HD2 PHE A 51 13.858 -24.335 0.612 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.058 -28.643 -0.279 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.770 -26.430 1.292 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.869 -28.589 0.851 1.00 0.00 H new ATOM 731 N GLU A 52 19.400 -23.718 -1.267 1.00 0.00 N ATOM 732 CA GLU A 52 20.440 -23.156 -2.120 1.00 0.00 C ATOM 733 C GLU A 52 19.855 -22.677 -3.446 1.00 0.00 C ATOM 734 O GLU A 52 20.554 -22.078 -4.263 1.00 0.00 O ATOM 735 CB GLU A 52 21.536 -24.192 -2.378 1.00 0.00 C ATOM 736 CG GLU A 52 22.809 -23.600 -2.957 1.00 0.00 C ATOM 737 CD GLU A 52 24.035 -24.438 -2.649 1.00 0.00 C ATOM 738 OE1 GLU A 52 23.877 -25.527 -2.059 1.00 0.00 O ATOM 739 OE2 GLU A 52 25.153 -24.004 -3.000 1.00 0.00 O ATOM 0 H GLU A 52 19.429 -24.734 -1.180 1.00 0.00 H new ATOM 0 HA GLU A 52 20.875 -22.300 -1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.774 -24.698 -1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.154 -24.950 -3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.702 -23.503 -4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 52 22.951 -22.595 -2.560 1.00 0.00 H new ATOM 746 N GLU A 53 18.570 -22.947 -3.651 1.00 0.00 N ATOM 747 CA GLU A 53 17.892 -22.545 -4.878 1.00 0.00 C ATOM 748 C GLU A 53 16.504 -21.988 -4.576 1.00 0.00 C ATOM 749 O GLU A 53 15.685 -22.647 -3.936 1.00 0.00 O ATOM 750 CB GLU A 53 17.779 -23.732 -5.837 1.00 0.00 C ATOM 751 CG GLU A 53 19.028 -23.962 -6.671 1.00 0.00 C ATOM 752 CD GLU A 53 18.735 -24.670 -7.979 1.00 0.00 C ATOM 753 OE1 GLU A 53 17.628 -24.475 -8.525 1.00 0.00 O ATOM 754 OE2 GLU A 53 19.612 -25.420 -8.457 1.00 0.00 O ATOM 0 H GLU A 53 17.978 -23.442 -2.984 1.00 0.00 H new ATOM 0 HA GLU A 53 18.485 -21.761 -5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.565 -24.633 -5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.932 -23.570 -6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.502 -23.003 -6.880 1.00 0.00 H new ATOM 0 HG3 GLU A 53 19.741 -24.552 -6.095 1.00 0.00 H new ATOM 761 N ALA A 54 16.248 -20.769 -5.040 1.00 0.00 N ATOM 762 CA ALA A 54 14.960 -20.124 -4.821 1.00 0.00 C ATOM 763 C ALA A 54 13.810 -21.043 -5.217 1.00 0.00 C ATOM 764 O ALA A 54 12.811 -21.144 -4.506 1.00 0.00 O ATOM 765 CB ALA A 54 14.885 -18.817 -5.597 1.00 0.00 C ATOM 0 H ALA A 54 16.916 -20.209 -5.570 1.00 0.00 H new ATOM 0 HA ALA A 54 14.867 -19.908 -3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.917 -18.346 -5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.679 -18.149 -5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.005 -19.018 -6.661 1.00 0.00 H new ATOM 771 N GLU A 55 13.959 -21.712 -6.357 1.00 0.00 N ATOM 772 CA GLU A 55 12.931 -22.622 -6.847 1.00 0.00 C ATOM 773 C GLU A 55 12.626 -23.705 -5.817 1.00 0.00 C ATOM 774 O GLU A 55 11.470 -23.929 -5.459 1.00 0.00 O ATOM 775 CB GLU A 55 13.373 -23.265 -8.164 1.00 0.00 C ATOM 776 CG GLU A 55 12.452 -24.375 -8.639 1.00 0.00 C ATOM 777 CD GLU A 55 12.487 -24.559 -10.144 1.00 0.00 C ATOM 778 OE1 GLU A 55 12.598 -23.545 -10.863 1.00 0.00 O ATOM 779 OE2 GLU A 55 12.404 -25.718 -10.601 1.00 0.00 O ATOM 0 H GLU A 55 14.781 -21.641 -6.957 1.00 0.00 H new ATOM 0 HA GLU A 55 12.023 -22.044 -7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.427 -22.495 -8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.379 -23.666 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.737 -25.310 -8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.431 -24.153 -8.328 1.00 0.00 H new ATOM 786 N SER A 56 13.673 -24.375 -5.344 1.00 0.00 N ATOM 787 CA SER A 56 13.518 -25.438 -4.358 1.00 0.00 C ATOM 788 C SER A 56 12.762 -24.936 -3.132 1.00 0.00 C ATOM 789 O SER A 56 11.932 -25.646 -2.567 1.00 0.00 O ATOM 790 CB SER A 56 14.887 -25.979 -3.942 1.00 0.00 C ATOM 791 OG SER A 56 15.444 -26.794 -4.959 1.00 0.00 O ATOM 0 H SER A 56 14.637 -24.200 -5.628 1.00 0.00 H new ATOM 0 HA SER A 56 12.941 -26.242 -4.814 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.560 -25.149 -3.728 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.789 -26.556 -3.022 1.00 0.00 H new ATOM 0 HG SER A 56 15.025 -27.679 -4.935 1.00 0.00 H new ATOM 797 N ALA A 57 13.058 -23.705 -2.726 1.00 0.00 N ATOM 798 CA ALA A 57 12.406 -23.106 -1.568 1.00 0.00 C ATOM 799 C ALA A 57 10.943 -22.792 -1.863 1.00 0.00 C ATOM 800 O ALA A 57 10.048 -23.214 -1.132 1.00 0.00 O ATOM 801 CB ALA A 57 13.143 -21.845 -1.141 1.00 0.00 C ATOM 0 H ALA A 57 13.745 -23.104 -3.182 1.00 0.00 H new ATOM 0 HA ALA A 57 12.438 -23.827 -0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.645 -21.408 -0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.171 -22.095 -0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.141 -21.127 -1.961 1.00 0.00 H new ATOM 807 N ALA A 58 10.708 -22.047 -2.939 1.00 0.00 N ATOM 808 CA ALA A 58 9.353 -21.678 -3.331 1.00 0.00 C ATOM 809 C ALA A 58 8.461 -22.909 -3.449 1.00 0.00 C ATOM 810 O ALA A 58 7.259 -22.844 -3.192 1.00 0.00 O ATOM 811 CB ALA A 58 9.375 -20.911 -4.645 1.00 0.00 C ATOM 0 H ALA A 58 11.438 -21.688 -3.554 1.00 0.00 H new ATOM 0 HA ALA A 58 8.938 -21.035 -2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.357 -20.642 -4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.971 -20.006 -4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.813 -21.535 -5.424 1.00 0.00 H new ATOM 817 N LYS A 59 9.057 -24.031 -3.839 1.00 0.00 N ATOM 818 CA LYS A 59 8.317 -25.278 -3.991 1.00 0.00 C ATOM 819 C LYS A 59 8.046 -25.919 -2.634 1.00 0.00 C ATOM 820 O LYS A 59 6.907 -26.253 -2.311 1.00 0.00 O ATOM 821 CB LYS A 59 9.094 -26.251 -4.881 1.00 0.00 C ATOM 822 CG LYS A 59 8.890 -26.011 -6.367 1.00 0.00 C ATOM 823 CD LYS A 59 7.729 -26.828 -6.910 1.00 0.00 C ATOM 824 CE LYS A 59 7.226 -26.271 -8.233 1.00 0.00 C ATOM 825 NZ LYS A 59 6.234 -25.178 -8.033 1.00 0.00 N ATOM 0 H LYS A 59 10.051 -24.102 -4.056 1.00 0.00 H new ATOM 0 HA LYS A 59 7.361 -25.049 -4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.156 -26.171 -4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.792 -27.270 -4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.704 -24.951 -6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.801 -26.269 -6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.043 -27.863 -7.046 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.916 -26.834 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.069 -25.895 -8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.771 -27.072 -8.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.915 -24.825 -8.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.418 -25.543 -7.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.675 -24.402 -7.500 1.00 0.00 H new ATOM 839 N ALA A 60 9.101 -26.086 -1.843 1.00 0.00 N ATOM 840 CA ALA A 60 8.976 -26.684 -0.519 1.00 0.00 C ATOM 841 C ALA A 60 7.916 -25.966 0.309 1.00 0.00 C ATOM 842 O ALA A 60 7.237 -26.581 1.132 1.00 0.00 O ATOM 843 CB ALA A 60 10.317 -26.658 0.200 1.00 0.00 C ATOM 0 H ALA A 60 10.051 -25.816 -2.096 1.00 0.00 H new ATOM 0 HA ALA A 60 8.662 -27.721 -0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.209 -27.107 1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.050 -27.221 -0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.653 -25.627 0.306 1.00 0.00 H new ATOM 849 N ILE A 61 7.779 -24.663 0.087 1.00 0.00 N ATOM 850 CA ILE A 61 6.801 -23.864 0.813 1.00 0.00 C ATOM 851 C ILE A 61 5.378 -24.295 0.474 1.00 0.00 C ATOM 852 O ILE A 61 4.522 -24.388 1.353 1.00 0.00 O ATOM 853 CB ILE A 61 6.958 -22.363 0.502 1.00 0.00 C ATOM 854 CG1 ILE A 61 8.329 -21.866 0.962 1.00 0.00 C ATOM 855 CG2 ILE A 61 5.847 -21.565 1.168 1.00 0.00 C ATOM 856 CD1 ILE A 61 8.832 -20.671 0.182 1.00 0.00 C ATOM 0 H ILE A 61 8.333 -24.139 -0.590 1.00 0.00 H new ATOM 0 HA ILE A 61 6.985 -24.029 1.875 1.00 0.00 H new ATOM 0 HB ILE A 61 6.884 -22.220 -0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.276 -21.604 2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.050 -22.678 0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.972 -20.507 0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.881 -21.906 0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.891 -21.710 2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.809 -20.373 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.918 -20.935 -0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.132 -19.843 0.293 1.00 0.00 H new ATOM 868 N GLU A 62 5.134 -24.559 -0.806 1.00 0.00 N ATOM 869 CA GLU A 62 3.814 -24.982 -1.259 1.00 0.00 C ATOM 870 C GLU A 62 3.645 -26.491 -1.108 1.00 0.00 C ATOM 871 O GLU A 62 2.530 -27.009 -1.160 1.00 0.00 O ATOM 872 CB GLU A 62 3.598 -24.578 -2.719 1.00 0.00 C ATOM 873 CG GLU A 62 2.997 -23.192 -2.885 1.00 0.00 C ATOM 874 CD GLU A 62 2.338 -23.000 -4.236 1.00 0.00 C ATOM 875 OE1 GLU A 62 1.174 -23.423 -4.395 1.00 0.00 O ATOM 876 OE2 GLU A 62 2.987 -22.426 -5.136 1.00 0.00 O ATOM 0 H GLU A 62 5.832 -24.488 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 62 3.069 -24.486 -0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.553 -24.616 -3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.944 -25.308 -3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.261 -23.023 -2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.779 -22.443 -2.757 1.00 0.00 H new ATOM 883 N GLU A 63 4.760 -27.190 -0.921 1.00 0.00 N ATOM 884 CA GLU A 63 4.735 -28.640 -0.763 1.00 0.00 C ATOM 885 C GLU A 63 4.589 -29.025 0.706 1.00 0.00 C ATOM 886 O GLU A 63 3.570 -29.580 1.116 1.00 0.00 O ATOM 887 CB GLU A 63 6.009 -29.260 -1.341 1.00 0.00 C ATOM 888 CG GLU A 63 6.192 -29.003 -2.827 1.00 0.00 C ATOM 889 CD GLU A 63 5.695 -30.152 -3.683 1.00 0.00 C ATOM 890 OE1 GLU A 63 4.528 -30.561 -3.509 1.00 0.00 O ATOM 891 OE2 GLU A 63 6.474 -30.641 -4.528 1.00 0.00 O ATOM 0 H GLU A 63 5.691 -26.776 -0.875 1.00 0.00 H new ATOM 0 HA GLU A 63 3.873 -29.025 -1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.871 -28.865 -0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.991 -30.336 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.660 -28.093 -3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.248 -28.830 -3.035 1.00 0.00 H new ATOM 898 N VAL A 64 5.617 -28.727 1.494 1.00 0.00 N ATOM 899 CA VAL A 64 5.605 -29.041 2.918 1.00 0.00 C ATOM 900 C VAL A 64 4.340 -28.512 3.586 1.00 0.00 C ATOM 901 O VAL A 64 3.806 -29.132 4.507 1.00 0.00 O ATOM 902 CB VAL A 64 6.835 -28.451 3.634 1.00 0.00 C ATOM 903 CG1 VAL A 64 6.903 -28.943 5.071 1.00 0.00 C ATOM 904 CG2 VAL A 64 8.108 -28.803 2.880 1.00 0.00 C ATOM 0 H VAL A 64 6.469 -28.269 1.170 1.00 0.00 H new ATOM 0 HA VAL A 64 5.631 -30.127 3.003 1.00 0.00 H new ATOM 0 HB VAL A 64 6.738 -27.365 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.778 -28.516 5.561 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.003 -28.636 5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.977 -30.030 5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.967 -28.379 3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.213 -29.887 2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.057 -28.396 1.870 1.00 0.00 H new ATOM 914 N HIS A 65 3.866 -27.363 3.117 1.00 0.00 N ATOM 915 CA HIS A 65 2.662 -26.751 3.669 1.00 0.00 C ATOM 916 C HIS A 65 1.473 -27.701 3.566 1.00 0.00 C ATOM 917 O HIS A 65 1.064 -28.083 2.470 1.00 0.00 O ATOM 918 CB HIS A 65 2.349 -25.443 2.940 1.00 0.00 C ATOM 919 CG HIS A 65 1.031 -24.845 3.322 1.00 0.00 C ATOM 920 ND1 HIS A 65 0.857 -24.059 4.441 1.00 0.00 N ATOM 921 CD2 HIS A 65 -0.182 -24.921 2.725 1.00 0.00 C ATOM 922 CE1 HIS A 65 -0.406 -23.678 4.517 1.00 0.00 C ATOM 923 NE2 HIS A 65 -1.057 -24.187 3.488 1.00 0.00 N ATOM 0 H HIS A 65 4.296 -26.837 2.357 1.00 0.00 H new ATOM 0 HA HIS A 65 2.843 -26.537 4.722 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.140 -24.722 3.149 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.358 -25.624 1.865 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.417 -25.458 1.818 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.833 -23.056 5.290 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.049 -24.056 3.291 1.00 0.00 H new ATOM 931 N GLY A 66 0.923 -28.080 4.716 1.00 0.00 N ATOM 932 CA GLY A 66 -0.213 -28.983 4.733 1.00 0.00 C ATOM 933 C GLY A 66 0.193 -30.420 4.996 1.00 0.00 C ATOM 934 O GLY A 66 -0.638 -31.327 4.945 1.00 0.00 O ATOM 0 H GLY A 66 1.244 -27.778 5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.917 -28.661 5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.734 -28.925 3.777 1.00 0.00 H new ATOM 938 N LYS A 67 1.475 -30.629 5.277 1.00 0.00 N ATOM 939 CA LYS A 67 1.991 -31.965 5.550 1.00 0.00 C ATOM 940 C LYS A 67 1.577 -32.435 6.941 1.00 0.00 C ATOM 941 O LYS A 67 0.848 -31.741 7.650 1.00 0.00 O ATOM 942 CB LYS A 67 3.516 -31.980 5.427 1.00 0.00 C ATOM 943 CG LYS A 67 4.011 -31.968 3.991 1.00 0.00 C ATOM 944 CD LYS A 67 3.703 -33.277 3.284 1.00 0.00 C ATOM 945 CE LYS A 67 4.910 -34.203 3.276 1.00 0.00 C ATOM 946 NZ LYS A 67 5.003 -35.004 4.528 1.00 0.00 N ATOM 0 H LYS A 67 2.176 -29.889 5.322 1.00 0.00 H new ATOM 0 HA LYS A 67 1.567 -32.648 4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.923 -31.114 5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.904 -32.867 5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.545 -31.144 3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.086 -31.790 3.977 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.867 -33.771 3.779 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.392 -33.074 2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.847 -34.874 2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.819 -33.614 3.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.683 -35.780 4.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.323 -34.394 5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.069 -35.398 4.758 1.00 0.00 H new ATOM 960 N SER A 68 2.049 -33.617 7.326 1.00 0.00 N ATOM 961 CA SER A 68 1.726 -34.180 8.632 1.00 0.00 C ATOM 962 C SER A 68 2.992 -34.414 9.451 1.00 0.00 C ATOM 963 O SER A 68 4.020 -34.833 8.919 1.00 0.00 O ATOM 964 CB SER A 68 0.960 -35.494 8.469 1.00 0.00 C ATOM 965 OG SER A 68 1.765 -36.479 7.842 1.00 0.00 O ATOM 0 H SER A 68 2.656 -34.203 6.752 1.00 0.00 H new ATOM 0 HA SER A 68 1.098 -33.465 9.163 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.635 -35.853 9.446 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.061 -35.324 7.877 1.00 0.00 H new ATOM 0 HG SER A 68 1.254 -37.310 7.751 1.00 0.00 H new ATOM 971 N PHE A 69 2.909 -34.139 10.748 1.00 0.00 N ATOM 972 CA PHE A 69 4.047 -34.318 11.642 1.00 0.00 C ATOM 973 C PHE A 69 3.632 -34.120 13.097 1.00 0.00 C ATOM 974 O PHE A 69 2.996 -33.125 13.443 1.00 0.00 O ATOM 975 CB PHE A 69 5.165 -33.338 11.281 1.00 0.00 C ATOM 976 CG PHE A 69 6.499 -33.710 11.861 1.00 0.00 C ATOM 977 CD1 PHE A 69 6.799 -33.424 13.183 1.00 0.00 C ATOM 978 CD2 PHE A 69 7.454 -34.346 11.084 1.00 0.00 C ATOM 979 CE1 PHE A 69 8.026 -33.765 13.720 1.00 0.00 C ATOM 980 CE2 PHE A 69 8.682 -34.690 11.616 1.00 0.00 C ATOM 981 CZ PHE A 69 8.969 -34.398 12.935 1.00 0.00 C ATOM 0 H PHE A 69 2.065 -33.791 11.204 1.00 0.00 H new ATOM 0 HA PHE A 69 4.414 -35.337 11.523 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.252 -33.283 10.196 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.891 -32.342 11.630 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.065 -32.929 13.801 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.236 -34.575 10.051 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.247 -33.537 14.752 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.417 -35.187 11.001 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.929 -34.664 13.352 1.00 0.00 H new ATOM 991 N ALA A 70 3.997 -35.076 13.945 1.00 0.00 N ATOM 992 CA ALA A 70 3.665 -35.008 15.363 1.00 0.00 C ATOM 993 C ALA A 70 2.155 -34.998 15.573 1.00 0.00 C ATOM 994 O ALA A 70 1.647 -34.314 16.460 1.00 0.00 O ATOM 995 CB ALA A 70 4.296 -33.775 15.993 1.00 0.00 C ATOM 0 H ALA A 70 4.523 -35.907 13.675 1.00 0.00 H new ATOM 0 HA ALA A 70 4.067 -35.897 15.849 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.040 -33.736 17.052 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.379 -33.824 15.883 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.921 -32.880 15.496 1.00 0.00 H new ATOM 1001 N ASN A 71 1.442 -35.760 14.749 1.00 0.00 N ATOM 1002 CA ASN A 71 -0.011 -35.837 14.844 1.00 0.00 C ATOM 1003 C ASN A 71 -0.643 -34.463 14.648 1.00 0.00 C ATOM 1004 O ASN A 71 -1.689 -34.163 15.223 1.00 0.00 O ATOM 1005 CB ASN A 71 -0.424 -36.412 16.201 1.00 0.00 C ATOM 1006 CG ASN A 71 -0.396 -37.928 16.219 1.00 0.00 C ATOM 1007 OD1 ASN A 71 -0.898 -38.581 15.303 1.00 0.00 O ATOM 1008 ND2 ASN A 71 0.192 -38.497 17.265 1.00 0.00 N ATOM 0 H ASN A 71 1.847 -36.333 14.008 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.367 -36.497 14.053 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.244 -36.030 16.973 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.428 -36.067 16.449 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.241 -39.514 17.332 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.595 -37.917 18.001 1.00 0.00 H new ATOM 1015 N GLN A 72 -0.001 -33.633 13.833 1.00 0.00 N ATOM 1016 CA GLN A 72 -0.500 -32.290 13.561 1.00 0.00 C ATOM 1017 C GLN A 72 -0.054 -31.812 12.183 1.00 0.00 C ATOM 1018 O GLN A 72 1.005 -32.189 11.681 1.00 0.00 O ATOM 1019 CB GLN A 72 -0.014 -31.315 14.635 1.00 0.00 C ATOM 1020 CG GLN A 72 -0.448 -31.694 16.042 1.00 0.00 C ATOM 1021 CD GLN A 72 -0.014 -30.678 17.080 1.00 0.00 C ATOM 1022 OE1 GLN A 72 0.516 -29.618 16.744 1.00 0.00 O ATOM 1023 NE2 GLN A 72 -0.235 -30.997 18.350 1.00 0.00 N ATOM 0 H GLN A 72 0.866 -33.867 13.349 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.589 -32.324 13.578 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.074 -31.263 14.601 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.388 -30.318 14.405 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.533 -31.794 16.069 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.031 -32.669 16.297 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.677 -31.886 18.583 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.037 -30.353 19.092 1.00 0.00 H new ATOM 1032 N PRO A 73 -0.879 -30.961 11.556 1.00 0.00 N ATOM 1033 CA PRO A 73 -0.590 -30.412 10.228 1.00 0.00 C ATOM 1034 C PRO A 73 0.572 -29.424 10.249 1.00 0.00 C ATOM 1035 O PRO A 73 0.532 -28.419 10.960 1.00 0.00 O ATOM 1036 CB PRO A 73 -1.890 -29.700 9.847 1.00 0.00 C ATOM 1037 CG PRO A 73 -2.531 -29.361 11.149 1.00 0.00 C ATOM 1038 CD PRO A 73 -2.157 -30.468 12.095 1.00 0.00 C ATOM 0 HA PRO A 73 -0.291 -31.188 9.523 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.693 -28.805 9.258 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.532 -30.343 9.245 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.180 -28.397 11.518 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.613 -29.287 11.044 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.048 -30.104 13.117 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.914 -31.252 12.115 1.00 0.00 H new ATOM 1046 N LEU A 74 1.604 -29.716 9.466 1.00 0.00 N ATOM 1047 CA LEU A 74 2.778 -28.852 9.394 1.00 0.00 C ATOM 1048 C LEU A 74 2.444 -27.535 8.701 1.00 0.00 C ATOM 1049 O LEU A 74 1.412 -27.416 8.041 1.00 0.00 O ATOM 1050 CB LEU A 74 3.912 -29.560 8.650 1.00 0.00 C ATOM 1051 CG LEU A 74 4.749 -30.537 9.476 1.00 0.00 C ATOM 1052 CD1 LEU A 74 5.826 -31.178 8.614 1.00 0.00 C ATOM 1053 CD2 LEU A 74 5.372 -29.828 10.670 1.00 0.00 C ATOM 0 H LEU A 74 1.652 -30.544 8.872 1.00 0.00 H new ATOM 0 HA LEU A 74 3.100 -28.634 10.412 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.484 -30.102 7.807 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.577 -28.802 8.237 1.00 0.00 H new ATOM 0 HG LEU A 74 4.093 -31.324 9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.412 -31.870 9.219 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.359 -31.720 7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.480 -30.404 8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.964 -30.539 11.247 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.015 -29.021 10.319 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.584 -29.416 11.301 1.00 0.00 H new ATOM 1065 N GLU A 75 3.324 -26.551 8.854 1.00 0.00 N ATOM 1066 CA GLU A 75 3.122 -25.244 8.241 1.00 0.00 C ATOM 1067 C GLU A 75 4.454 -24.623 7.830 1.00 0.00 C ATOM 1068 O GLU A 75 5.393 -24.559 8.624 1.00 0.00 O ATOM 1069 CB GLU A 75 2.389 -24.311 9.207 1.00 0.00 C ATOM 1070 CG GLU A 75 1.291 -24.998 10.002 1.00 0.00 C ATOM 1071 CD GLU A 75 0.337 -24.013 10.650 1.00 0.00 C ATOM 1072 OE1 GLU A 75 0.790 -23.220 11.501 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -0.864 -24.037 10.306 1.00 0.00 O ATOM 0 H GLU A 75 4.183 -26.634 9.397 1.00 0.00 H new ATOM 0 HA GLU A 75 2.514 -25.381 7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.111 -23.879 9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.955 -23.486 8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.731 -25.661 9.343 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.742 -25.622 10.773 1.00 0.00 H new ATOM 1080 N VAL A 76 4.529 -24.169 6.583 1.00 0.00 N ATOM 1081 CA VAL A 76 5.745 -23.553 6.066 1.00 0.00 C ATOM 1082 C VAL A 76 5.421 -22.356 5.179 1.00 0.00 C ATOM 1083 O VAL A 76 4.537 -22.424 4.325 1.00 0.00 O ATOM 1084 CB VAL A 76 6.586 -24.562 5.260 1.00 0.00 C ATOM 1085 CG1 VAL A 76 7.993 -24.028 5.039 1.00 0.00 C ATOM 1086 CG2 VAL A 76 6.622 -25.909 5.967 1.00 0.00 C ATOM 0 H VAL A 76 3.762 -24.216 5.912 1.00 0.00 H new ATOM 0 HA VAL A 76 6.321 -23.217 6.928 1.00 0.00 H new ATOM 0 HB VAL A 76 6.119 -24.702 4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.572 -24.754 4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.943 -23.089 4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.473 -23.858 6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.220 -26.610 5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.064 -25.789 6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.607 -26.294 6.068 1.00 0.00 H new ATOM 1096 N VAL A 77 6.143 -21.260 5.387 1.00 0.00 N ATOM 1097 CA VAL A 77 5.934 -20.047 4.606 1.00 0.00 C ATOM 1098 C VAL A 77 7.261 -19.391 4.242 1.00 0.00 C ATOM 1099 O VAL A 77 8.318 -19.794 4.729 1.00 0.00 O ATOM 1100 CB VAL A 77 5.064 -19.030 5.369 1.00 0.00 C ATOM 1101 CG1 VAL A 77 3.744 -19.662 5.784 1.00 0.00 C ATOM 1102 CG2 VAL A 77 5.812 -18.494 6.580 1.00 0.00 C ATOM 0 H VAL A 77 6.878 -21.187 6.090 1.00 0.00 H new ATOM 0 HA VAL A 77 5.417 -20.344 3.694 1.00 0.00 H new ATOM 0 HB VAL A 77 4.846 -18.193 4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.143 -18.929 6.322 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.204 -19.993 4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.938 -20.517 6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.183 -17.777 7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.061 -19.319 7.248 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.728 -18.002 6.253 1.00 0.00 H new ATOM 1112 N TYR A 78 7.199 -18.379 3.384 1.00 0.00 N ATOM 1113 CA TYR A 78 8.397 -17.668 2.953 1.00 0.00 C ATOM 1114 C TYR A 78 8.926 -16.768 4.065 1.00 0.00 C ATOM 1115 O TYR A 78 8.397 -15.682 4.304 1.00 0.00 O ATOM 1116 CB TYR A 78 8.100 -16.836 1.705 1.00 0.00 C ATOM 1117 CG TYR A 78 8.768 -17.360 0.454 1.00 0.00 C ATOM 1118 CD1 TYR A 78 10.147 -17.519 0.393 1.00 0.00 C ATOM 1119 CD2 TYR A 78 8.020 -17.697 -0.667 1.00 0.00 C ATOM 1120 CE1 TYR A 78 10.761 -17.997 -0.748 1.00 0.00 C ATOM 1121 CE2 TYR A 78 8.625 -18.178 -1.812 1.00 0.00 C ATOM 1122 CZ TYR A 78 9.996 -18.326 -1.848 1.00 0.00 C ATOM 1123 OH TYR A 78 10.603 -18.803 -2.987 1.00 0.00 O ATOM 0 H TYR A 78 6.332 -18.032 2.973 1.00 0.00 H new ATOM 0 HA TYR A 78 9.162 -18.407 2.715 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.022 -16.807 1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.424 -15.810 1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.749 -17.264 1.253 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.947 -17.581 -0.643 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.834 -18.113 -0.779 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.028 -18.437 -2.674 1.00 0.00 H new ATOM 0 HH TYR A 78 11.420 -19.287 -2.744 1.00 0.00 H new ATOM 1133 N SER A 79 9.974 -17.226 4.742 1.00 0.00 N ATOM 1134 CA SER A 79 10.574 -16.465 5.831 1.00 0.00 C ATOM 1135 C SER A 79 10.893 -15.041 5.387 1.00 0.00 C ATOM 1136 O SER A 79 11.726 -14.824 4.506 1.00 0.00 O ATOM 1137 CB SER A 79 11.847 -17.155 6.323 1.00 0.00 C ATOM 1138 OG SER A 79 11.876 -18.515 5.926 1.00 0.00 O ATOM 0 H SER A 79 10.425 -18.121 4.555 1.00 0.00 H new ATOM 0 HA SER A 79 9.855 -16.420 6.649 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.721 -16.638 5.926 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.904 -17.089 7.410 1.00 0.00 H new ATOM 0 HG SER A 79 12.700 -18.933 6.251 1.00 0.00 H new ATOM 1144 N LYS A 80 10.224 -14.072 6.002 1.00 0.00 N ATOM 1145 CA LYS A 80 10.435 -12.667 5.673 1.00 0.00 C ATOM 1146 C LYS A 80 11.828 -12.212 6.099 1.00 0.00 C ATOM 1147 O LYS A 80 12.510 -11.498 5.364 1.00 0.00 O ATOM 1148 CB LYS A 80 9.374 -11.798 6.351 1.00 0.00 C ATOM 1149 CG LYS A 80 7.987 -11.954 5.752 1.00 0.00 C ATOM 1150 CD LYS A 80 6.906 -11.509 6.723 1.00 0.00 C ATOM 1151 CE LYS A 80 6.510 -12.632 7.669 1.00 0.00 C ATOM 1152 NZ LYS A 80 5.403 -12.226 8.579 1.00 0.00 N ATOM 0 H LYS A 80 9.530 -14.234 6.732 1.00 0.00 H new ATOM 0 HA LYS A 80 10.350 -12.556 4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.333 -12.049 7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.675 -10.753 6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.918 -11.368 4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.824 -12.996 5.477 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.262 -10.655 7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.030 -11.175 6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.203 -13.503 7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.375 -12.931 8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.162 -13.019 9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.704 -11.410 9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.569 -11.965 8.016 1.00 0.00 H new