USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1074 hydrogens (12 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 100 ASN : amide:sc= -1.47 K(o=-3.2,f=-3.9!) USER MOD Set 1.2: A 119 TYR OH : rot 180:sc= -1.7 USER MOD Set 2.1: A 115 GLN : amide:sc= -8.7! C(o=-8.7!,f=-18!) USER MOD Set 2.2: A 117 TYR OH : rot 121:sc= 0.00103 USER MOD Set 3.1: A 81 THR OG1 : rot 180:sc= -2.11 USER MOD Set 3.2: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 18 MET CE :methyl -178:sc= -6.96! (180deg=-7.01!) USER MOD Set 4.2: A 21 MET CE :methyl -122:sc= -5.22! (180deg=-9.74!) USER MOD Single : A 1 ALA N :NH3+ 170:sc=-0.00742 (180deg=-0.0967) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 164:sc= -1.49! USER MOD Single : A 13 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.9!) USER MOD Single : A 14 TYR OH : rot -104:sc= 0.578 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 158:sc= -0.0543 (180deg=-0.334) USER MOD Single : A 24 ASN : amide:sc= -1.52 K(o=-1.5,f=-5.2!) USER MOD Single : A 27 LYS NZ :NH3+ -111:sc= -0.101 (180deg=-0.917) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -2.53 X(o=-2.5,f=-2.6) USER MOD Single : A 35 ASN :FLIP amide:sc= -3.78! C(o=-4.4!,f=-3.8!) USER MOD Single : A 37 LYS NZ :NH3+ -143:sc= -1.2 (180deg=-4.15!) USER MOD Single : A 39 THR OG1 : rot 91:sc= 0.247 USER MOD Single : A 41 THR OG1 : rot 67:sc= 0.0825 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.0374 F(o=-0.91,f=-0.037) USER MOD Single : A 45 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.41) USER MOD Single : A 46 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.103) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.293) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 174:sc= -1.05 USER MOD Single : A 57 ASN : amide:sc= -0.47 K(o=-0.47,f=-3.5!) USER MOD Single : A 67 THR OG1 : rot -54:sc= 0.126 USER MOD Single : A 69 ASN : amide:sc= -0.211 K(o=-0.21,f=-2.3!) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.77 USER MOD Single : A 71 ASN : amide:sc= -1.79 K(o=-1.8,f=-7.4!) USER MOD Single : A 76 THR OG1 : rot 84:sc= 0.119 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.53 K(o=-1.5,f=-3.2!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc=0.000324 X(o=0.00032,f=0) USER MOD Single : A 103 ASN : amide:sc= -2.36! C(o=-2.4!,f=-7.9!) USER MOD Single : A 104 THR OG1 : rot 180:sc= -2.72! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 171:sc= 1.09 (180deg=1.08) USER MOD Single : A 130 LYS NZ :NH3+ -144:sc= -0.364 (180deg=-1.47!) USER MOD Single : A 201 KTR O3 : rot -170:sc= -0.834 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.168 0.018 17.398 1.00 0.00 N ATOM 2 CA ALA A 1 -4.129 -1.012 16.923 1.00 0.00 C ATOM 3 C ALA A 1 -3.978 -1.252 15.425 1.00 0.00 C ATOM 4 O ALA A 1 -4.965 -1.445 14.715 1.00 0.00 O ATOM 5 CB ALA A 1 -5.555 -0.592 17.249 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.401 0.286 18.376 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.202 -0.367 17.365 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.227 0.857 16.786 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.909 -1.946 17.440 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.249 -1.355 16.896 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.662 -0.475 18.327 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.777 0.355 16.758 1.00 0.00 H new ATOM 13 N PHE A 2 -2.737 -1.238 14.949 1.00 0.00 N ATOM 14 CA PHE A 2 -2.462 -1.455 13.534 1.00 0.00 C ATOM 15 C PHE A 2 -2.704 -2.912 13.150 1.00 0.00 C ATOM 16 O PHE A 2 -3.473 -3.202 12.234 1.00 0.00 O ATOM 17 CB PHE A 2 -1.022 -1.055 13.204 1.00 0.00 C ATOM 18 CG PHE A 2 -0.905 0.317 12.603 1.00 0.00 C ATOM 19 CD1 PHE A 2 -1.759 0.717 11.588 1.00 0.00 C ATOM 20 CD2 PHE A 2 0.058 1.206 13.053 1.00 0.00 C ATOM 21 CE1 PHE A 2 -1.656 1.979 11.033 1.00 0.00 C ATOM 22 CE2 PHE A 2 0.166 2.469 12.502 1.00 0.00 C ATOM 23 CZ PHE A 2 -0.692 2.856 11.491 1.00 0.00 C ATOM 0 H PHE A 2 -1.908 -1.079 15.521 1.00 0.00 H new ATOM 0 HA PHE A 2 -3.143 -0.830 12.956 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -0.424 -1.097 14.114 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -0.600 -1.784 12.512 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.514 0.035 11.226 1.00 0.00 H new ATOM 0 HD2 PHE A 2 0.732 0.909 13.843 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -2.328 2.279 10.243 1.00 0.00 H new ATOM 0 HE2 PHE A 2 0.921 3.153 12.862 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.609 3.843 11.059 1.00 0.00 H new ATOM 33 N ASP A 3 -2.047 -3.826 13.860 1.00 0.00 N ATOM 34 CA ASP A 3 -2.193 -5.256 13.597 1.00 0.00 C ATOM 35 C ASP A 3 -3.665 -5.660 13.598 1.00 0.00 C ATOM 36 O ASP A 3 -4.288 -5.764 14.654 1.00 0.00 O ATOM 37 CB ASP A 3 -1.427 -6.067 14.646 1.00 0.00 C ATOM 38 CG ASP A 3 -1.554 -7.565 14.438 1.00 0.00 C ATOM 39 OD1 ASP A 3 -2.252 -7.978 13.489 1.00 0.00 O ATOM 40 OD2 ASP A 3 -0.953 -8.325 15.226 1.00 0.00 O ATOM 0 H ASP A 3 -1.408 -3.602 14.623 1.00 0.00 H new ATOM 0 HA ASP A 3 -1.778 -5.466 12.611 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.374 -5.789 14.616 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.797 -5.810 15.639 1.00 0.00 H new ATOM 45 N SER A 4 -4.217 -5.882 12.407 1.00 0.00 N ATOM 46 CA SER A 4 -5.618 -6.267 12.274 1.00 0.00 C ATOM 47 C SER A 4 -6.019 -6.389 10.807 1.00 0.00 C ATOM 48 O SER A 4 -5.203 -6.177 9.909 1.00 0.00 O ATOM 49 CB SER A 4 -6.513 -5.232 12.960 1.00 0.00 C ATOM 50 OG SER A 4 -7.560 -5.856 13.682 1.00 0.00 O ATOM 0 H SER A 4 -3.716 -5.802 11.522 1.00 0.00 H new ATOM 0 HA SER A 4 -5.745 -7.239 12.751 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.915 -4.622 13.637 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.934 -4.559 12.213 1.00 0.00 H new ATOM 0 HG SER A 4 -8.115 -5.171 14.111 1.00 0.00 H new ATOM 56 N THR A 5 -7.289 -6.709 10.572 1.00 0.00 N ATOM 57 CA THR A 5 -7.811 -6.832 9.216 1.00 0.00 C ATOM 58 C THR A 5 -8.318 -5.476 8.748 1.00 0.00 C ATOM 59 O THR A 5 -9.239 -4.914 9.340 1.00 0.00 O ATOM 60 CB THR A 5 -8.941 -7.860 9.162 1.00 0.00 C ATOM 61 OG1 THR A 5 -8.480 -9.137 9.567 1.00 0.00 O ATOM 62 CG2 THR A 5 -9.545 -8.004 7.783 1.00 0.00 C ATOM 0 H THR A 5 -7.976 -6.888 11.305 1.00 0.00 H new ATOM 0 HA THR A 5 -7.011 -7.172 8.559 1.00 0.00 H new ATOM 0 HB THR A 5 -9.707 -7.487 9.842 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.219 -9.779 9.527 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.341 -8.748 7.810 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.955 -7.046 7.463 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.775 -8.322 7.080 1.00 0.00 H new ATOM 70 N TRP A 6 -7.698 -4.934 7.706 1.00 0.00 N ATOM 71 CA TRP A 6 -8.083 -3.625 7.203 1.00 0.00 C ATOM 72 C TRP A 6 -8.685 -3.712 5.808 1.00 0.00 C ATOM 73 O TRP A 6 -8.121 -4.323 4.902 1.00 0.00 O ATOM 74 CB TRP A 6 -6.871 -2.683 7.208 1.00 0.00 C ATOM 75 CG TRP A 6 -6.423 -2.302 8.585 1.00 0.00 C ATOM 76 CD1 TRP A 6 -6.516 -3.062 9.715 1.00 0.00 C ATOM 77 CD2 TRP A 6 -5.814 -1.069 8.981 1.00 0.00 C ATOM 78 NE1 TRP A 6 -6.010 -2.376 10.790 1.00 0.00 N ATOM 79 CE2 TRP A 6 -5.572 -1.151 10.366 1.00 0.00 C ATOM 80 CE3 TRP A 6 -5.451 0.096 8.301 1.00 0.00 C ATOM 81 CZ2 TRP A 6 -4.985 -0.114 11.082 1.00 0.00 C ATOM 82 CZ3 TRP A 6 -4.867 1.125 9.014 1.00 0.00 C ATOM 83 CH2 TRP A 6 -4.639 1.015 10.392 1.00 0.00 C ATOM 0 H TRP A 6 -6.933 -5.378 7.198 1.00 0.00 H new ATOM 0 HA TRP A 6 -8.851 -3.224 7.865 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.044 -3.163 6.684 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -7.119 -1.779 6.651 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.928 -4.059 9.757 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.967 -2.722 11.748 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.623 0.190 7.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -4.809 -0.197 12.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -4.581 2.031 8.500 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.181 1.838 10.920 1.00 0.00 H new ATOM 94 N LYS A 7 -9.833 -3.073 5.649 1.00 0.00 N ATOM 95 CA LYS A 7 -10.526 -3.041 4.370 1.00 0.00 C ATOM 96 C LYS A 7 -10.634 -1.613 3.863 1.00 0.00 C ATOM 97 O LYS A 7 -11.149 -0.730 4.548 1.00 0.00 O ATOM 98 CB LYS A 7 -11.915 -3.672 4.489 1.00 0.00 C ATOM 99 CG LYS A 7 -12.821 -2.967 5.485 1.00 0.00 C ATOM 100 CD LYS A 7 -14.252 -3.473 5.393 1.00 0.00 C ATOM 101 CE LYS A 7 -15.254 -2.337 5.526 1.00 0.00 C ATOM 102 NZ LYS A 7 -16.421 -2.518 4.620 1.00 0.00 N ATOM 0 H LYS A 7 -10.308 -2.566 6.396 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.947 -3.623 3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.392 -3.666 3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.807 -4.716 4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.443 -3.123 6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.801 -1.893 5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.399 -3.980 4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.430 -4.210 6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.601 -2.278 6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.762 -1.391 5.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -17.081 -1.723 4.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.093 -2.549 3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.906 -3.408 4.852 1.00 0.00 H new ATOM 116 N VAL A 8 -10.131 -1.395 2.659 1.00 0.00 N ATOM 117 CA VAL A 8 -10.152 -0.078 2.051 1.00 0.00 C ATOM 118 C VAL A 8 -11.563 0.300 1.606 1.00 0.00 C ATOM 119 O VAL A 8 -12.249 -0.484 0.950 1.00 0.00 O ATOM 120 CB VAL A 8 -9.172 -0.009 0.859 1.00 0.00 C ATOM 121 CG1 VAL A 8 -9.803 -0.553 -0.422 1.00 0.00 C ATOM 122 CG2 VAL A 8 -8.685 1.415 0.660 1.00 0.00 C ATOM 0 H VAL A 8 -9.701 -2.118 2.082 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.830 0.642 2.804 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.316 -0.642 1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.083 -0.488 -1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.089 -1.594 -0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.687 0.034 -0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.995 1.449 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.536 2.066 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.174 1.754 1.561 1.00 0.00 H new ATOM 132 N ASP A 9 -11.992 1.503 1.972 1.00 0.00 N ATOM 133 CA ASP A 9 -13.323 1.980 1.615 1.00 0.00 C ATOM 134 C ASP A 9 -13.312 2.674 0.260 1.00 0.00 C ATOM 135 O ASP A 9 -13.983 2.240 -0.676 1.00 0.00 O ATOM 136 CB ASP A 9 -13.848 2.936 2.685 1.00 0.00 C ATOM 137 CG ASP A 9 -15.269 3.387 2.412 1.00 0.00 C ATOM 138 OD1 ASP A 9 -16.208 2.688 2.846 1.00 0.00 O ATOM 139 OD2 ASP A 9 -15.443 4.440 1.763 1.00 0.00 O ATOM 0 H ASP A 9 -11.438 2.165 2.515 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.984 1.115 1.552 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.806 2.446 3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.197 3.809 2.739 1.00 0.00 H new ATOM 144 N ARG A 10 -12.547 3.755 0.159 1.00 0.00 N ATOM 145 CA ARG A 10 -12.455 4.505 -1.087 1.00 0.00 C ATOM 146 C ARG A 10 -11.016 4.916 -1.368 1.00 0.00 C ATOM 147 O ARG A 10 -10.183 4.956 -0.462 1.00 0.00 O ATOM 148 CB ARG A 10 -13.357 5.745 -1.035 1.00 0.00 C ATOM 149 CG ARG A 10 -12.834 6.857 -0.142 1.00 0.00 C ATOM 150 CD ARG A 10 -13.026 8.225 -0.780 1.00 0.00 C ATOM 151 NE ARG A 10 -12.296 8.353 -2.041 1.00 0.00 N ATOM 152 CZ ARG A 10 -12.850 8.213 -3.245 1.00 0.00 C ATOM 153 NH1 ARG A 10 -14.140 7.922 -3.367 1.00 0.00 N ATOM 154 NH2 ARG A 10 -12.108 8.362 -4.334 1.00 0.00 N ATOM 0 H ARG A 10 -11.984 4.130 0.922 1.00 0.00 H new ATOM 0 HA ARG A 10 -12.793 3.858 -1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.481 6.134 -2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.345 5.447 -0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.350 6.827 0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.775 6.695 0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.088 8.395 -0.958 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.691 8.997 -0.088 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.299 8.563 -1.996 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.717 7.803 -2.534 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.554 7.817 -4.293 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.116 8.583 -4.249 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.529 8.255 -5.257 1.00 0.00 H new ATOM 168 N SER A 11 -10.731 5.233 -2.623 1.00 0.00 N ATOM 169 CA SER A 11 -9.394 5.654 -3.011 1.00 0.00 C ATOM 170 C SER A 11 -9.449 6.746 -4.067 1.00 0.00 C ATOM 171 O SER A 11 -10.231 6.677 -5.015 1.00 0.00 O ATOM 172 CB SER A 11 -8.571 4.472 -3.528 1.00 0.00 C ATOM 173 OG SER A 11 -7.281 4.467 -2.942 1.00 0.00 O ATOM 0 H SER A 11 -11.406 5.207 -3.387 1.00 0.00 H new ATOM 0 HA SER A 11 -8.908 6.053 -2.121 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.084 3.538 -3.299 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.483 4.530 -4.613 1.00 0.00 H new ATOM 0 HG SER A 11 -6.867 3.588 -3.069 1.00 0.00 H new ATOM 179 N GLU A 12 -8.597 7.746 -3.899 1.00 0.00 N ATOM 180 CA GLU A 12 -8.518 8.855 -4.835 1.00 0.00 C ATOM 181 C GLU A 12 -7.139 8.882 -5.472 1.00 0.00 C ATOM 182 O GLU A 12 -6.125 8.858 -4.776 1.00 0.00 O ATOM 183 CB GLU A 12 -8.807 10.185 -4.131 1.00 0.00 C ATOM 184 CG GLU A 12 -8.270 10.256 -2.712 1.00 0.00 C ATOM 185 CD GLU A 12 -8.544 11.592 -2.052 1.00 0.00 C ATOM 186 OE1 GLU A 12 -7.932 12.598 -2.469 1.00 0.00 O ATOM 187 OE2 GLU A 12 -9.372 11.634 -1.117 1.00 0.00 O ATOM 0 H GLU A 12 -7.946 7.811 -3.116 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.271 8.716 -5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.373 10.997 -4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.885 10.348 -4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.720 9.462 -2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.195 10.075 -2.725 1.00 0.00 H new ATOM 194 N ASN A 13 -7.107 8.906 -6.797 1.00 0.00 N ATOM 195 CA ASN A 13 -5.858 8.908 -7.531 1.00 0.00 C ATOM 196 C ASN A 13 -5.129 7.573 -7.373 1.00 0.00 C ATOM 197 O ASN A 13 -3.985 7.423 -7.808 1.00 0.00 O ATOM 198 CB ASN A 13 -4.969 10.055 -7.064 1.00 0.00 C ATOM 199 CG ASN A 13 -5.015 11.244 -8.004 1.00 0.00 C ATOM 200 OD1 ASN A 13 -5.870 11.319 -8.887 1.00 0.00 O ATOM 201 ND2 ASN A 13 -4.093 12.181 -7.820 1.00 0.00 N ATOM 0 H ASN A 13 -7.940 8.924 -7.385 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.086 9.049 -8.588 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.281 10.370 -6.068 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.941 9.703 -6.979 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.074 13.004 -8.423 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.403 12.078 -7.076 1.00 0.00 H new ATOM 208 N TYR A 14 -5.795 6.587 -6.769 1.00 0.00 N ATOM 209 CA TYR A 14 -5.186 5.277 -6.597 1.00 0.00 C ATOM 210 C TYR A 14 -4.764 4.757 -7.969 1.00 0.00 C ATOM 211 O TYR A 14 -3.636 4.301 -8.156 1.00 0.00 O ATOM 212 CB TYR A 14 -6.158 4.314 -5.883 1.00 0.00 C ATOM 213 CG TYR A 14 -5.530 3.015 -5.392 1.00 0.00 C ATOM 214 CD1 TYR A 14 -4.371 2.502 -5.963 1.00 0.00 C ATOM 215 CD2 TYR A 14 -6.104 2.300 -4.347 1.00 0.00 C ATOM 216 CE1 TYR A 14 -3.806 1.327 -5.508 1.00 0.00 C ATOM 217 CE2 TYR A 14 -5.544 1.124 -3.888 1.00 0.00 C ATOM 218 CZ TYR A 14 -4.394 0.644 -4.470 1.00 0.00 C ATOM 219 OH TYR A 14 -3.833 -0.527 -4.015 1.00 0.00 O ATOM 0 H TYR A 14 -6.741 6.673 -6.398 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.303 5.350 -5.963 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.599 4.832 -5.031 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.973 4.071 -6.565 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.903 3.033 -6.779 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.006 2.672 -3.885 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.905 0.946 -5.966 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.007 0.584 -3.076 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.359 -1.289 -4.337 1.00 0.00 H new ATOM 229 N ASP A 15 -5.659 4.882 -8.945 1.00 0.00 N ATOM 230 CA ASP A 15 -5.357 4.470 -10.312 1.00 0.00 C ATOM 231 C ASP A 15 -4.106 5.194 -10.804 1.00 0.00 C ATOM 232 O ASP A 15 -3.286 4.631 -11.527 1.00 0.00 O ATOM 233 CB ASP A 15 -6.536 4.782 -11.235 1.00 0.00 C ATOM 234 CG ASP A 15 -6.598 3.851 -12.430 1.00 0.00 C ATOM 235 OD1 ASP A 15 -7.042 2.696 -12.261 1.00 0.00 O ATOM 236 OD2 ASP A 15 -6.202 4.277 -13.535 1.00 0.00 O ATOM 0 H ASP A 15 -6.596 5.264 -8.815 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.180 3.395 -10.324 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.465 4.706 -10.671 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.458 5.812 -11.584 1.00 0.00 H new ATOM 241 N LYS A 16 -3.970 6.449 -10.381 1.00 0.00 N ATOM 242 CA LYS A 16 -2.825 7.286 -10.736 1.00 0.00 C ATOM 243 C LYS A 16 -1.523 6.535 -10.522 1.00 0.00 C ATOM 244 O LYS A 16 -0.587 6.645 -11.311 1.00 0.00 O ATOM 245 CB LYS A 16 -2.839 8.546 -9.869 1.00 0.00 C ATOM 246 CG LYS A 16 -2.258 9.775 -10.537 1.00 0.00 C ATOM 247 CD LYS A 16 -3.333 10.802 -10.828 1.00 0.00 C ATOM 248 CE LYS A 16 -2.959 11.688 -12.005 1.00 0.00 C ATOM 249 NZ LYS A 16 -3.393 13.098 -11.798 1.00 0.00 N ATOM 0 H LYS A 16 -4.651 6.915 -9.782 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.897 7.556 -11.790 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.867 8.759 -9.576 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.282 8.348 -8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.496 10.215 -9.894 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.765 9.488 -11.466 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.274 10.294 -11.039 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.495 11.420 -9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.880 11.658 -12.153 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.416 11.297 -12.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.120 13.670 -12.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.426 13.130 -11.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.937 13.480 -10.945 1.00 0.00 H new ATOM 263 N PHE A 17 -1.470 5.776 -9.443 1.00 0.00 N ATOM 264 CA PHE A 17 -0.281 5.010 -9.120 1.00 0.00 C ATOM 265 C PHE A 17 -0.164 3.825 -10.054 1.00 0.00 C ATOM 266 O PHE A 17 0.928 3.466 -10.492 1.00 0.00 O ATOM 267 CB PHE A 17 -0.316 4.608 -7.648 1.00 0.00 C ATOM 268 CG PHE A 17 -0.002 5.781 -6.780 1.00 0.00 C ATOM 269 CD1 PHE A 17 -0.609 7.002 -7.044 1.00 0.00 C ATOM 270 CD2 PHE A 17 0.915 5.693 -5.744 1.00 0.00 C ATOM 271 CE1 PHE A 17 -0.315 8.115 -6.300 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.211 6.811 -4.985 1.00 0.00 C ATOM 273 CZ PHE A 17 0.597 8.024 -5.267 1.00 0.00 C ATOM 0 H PHE A 17 -2.235 5.674 -8.776 1.00 0.00 H new ATOM 0 HA PHE A 17 0.613 5.616 -9.266 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.300 4.214 -7.395 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.403 3.810 -7.465 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.325 7.076 -7.849 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.398 4.751 -5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.794 9.058 -6.520 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.920 6.740 -4.173 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.833 8.898 -4.678 1.00 0.00 H new ATOM 283 N MET A 18 -1.304 3.263 -10.406 1.00 0.00 N ATOM 284 CA MET A 18 -1.347 2.168 -11.343 1.00 0.00 C ATOM 285 C MET A 18 -1.015 2.704 -12.735 1.00 0.00 C ATOM 286 O MET A 18 -0.626 1.959 -13.634 1.00 0.00 O ATOM 287 CB MET A 18 -2.747 1.546 -11.348 1.00 0.00 C ATOM 288 CG MET A 18 -3.086 0.739 -10.101 1.00 0.00 C ATOM 289 SD MET A 18 -2.703 1.581 -8.554 1.00 0.00 S ATOM 290 CE MET A 18 -1.077 0.924 -8.198 1.00 0.00 C ATOM 0 H MET A 18 -2.216 3.552 -10.052 1.00 0.00 H new ATOM 0 HA MET A 18 -0.624 1.404 -11.056 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.483 2.342 -11.462 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.840 0.899 -12.220 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.148 0.495 -10.116 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.542 -0.205 -10.133 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.722 1.326 -7.249 1.00 0.00 H new ATOM 0 HE2 MET A 18 -1.130 -0.163 -8.135 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.388 1.208 -8.993 1.00 0.00 H new ATOM 300 N GLU A 19 -1.210 4.015 -12.898 1.00 0.00 N ATOM 301 CA GLU A 19 -0.992 4.694 -14.147 1.00 0.00 C ATOM 302 C GLU A 19 0.468 5.133 -14.345 1.00 0.00 C ATOM 303 O GLU A 19 1.114 4.726 -15.310 1.00 0.00 O ATOM 304 CB GLU A 19 -1.964 5.876 -14.183 1.00 0.00 C ATOM 305 CG GLU A 19 -1.308 7.228 -14.221 1.00 0.00 C ATOM 306 CD GLU A 19 -2.279 8.352 -14.524 1.00 0.00 C ATOM 307 OE1 GLU A 19 -3.332 8.077 -15.137 1.00 0.00 O ATOM 308 OE2 GLU A 19 -1.987 9.506 -14.148 1.00 0.00 O ATOM 0 H GLU A 19 -1.528 4.629 -12.148 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.181 4.014 -14.978 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.606 5.774 -15.058 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.609 5.825 -13.306 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.828 7.419 -13.261 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.521 7.222 -14.975 1.00 0.00 H new ATOM 315 N LYS A 20 0.977 5.969 -13.444 1.00 0.00 N ATOM 316 CA LYS A 20 2.351 6.458 -13.549 1.00 0.00 C ATOM 317 C LYS A 20 3.351 5.318 -13.413 1.00 0.00 C ATOM 318 O LYS A 20 4.366 5.285 -14.109 1.00 0.00 O ATOM 319 CB LYS A 20 2.621 7.525 -12.492 1.00 0.00 C ATOM 320 CG LYS A 20 4.040 8.066 -12.532 1.00 0.00 C ATOM 321 CD LYS A 20 4.107 9.492 -13.063 1.00 0.00 C ATOM 322 CE LYS A 20 5.497 9.808 -13.581 1.00 0.00 C ATOM 323 NZ LYS A 20 5.808 9.065 -14.834 1.00 0.00 N ATOM 0 H LYS A 20 0.463 6.321 -12.637 1.00 0.00 H new ATOM 0 HA LYS A 20 2.474 6.902 -14.537 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.921 8.349 -12.631 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.427 7.106 -11.505 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.465 8.035 -11.529 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.654 7.419 -13.159 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.378 9.622 -13.863 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.841 10.193 -12.272 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.581 10.879 -13.765 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.234 9.557 -12.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.565 9.556 -15.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.119 8.101 -14.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.957 9.018 -15.430 1.00 0.00 H new ATOM 337 N MET A 21 3.060 4.383 -12.519 1.00 0.00 N ATOM 338 CA MET A 21 3.937 3.241 -12.303 1.00 0.00 C ATOM 339 C MET A 21 3.640 2.125 -13.300 1.00 0.00 C ATOM 340 O MET A 21 4.455 1.222 -13.490 1.00 0.00 O ATOM 341 CB MET A 21 3.786 2.712 -10.875 1.00 0.00 C ATOM 342 CG MET A 21 3.998 3.770 -9.805 1.00 0.00 C ATOM 343 SD MET A 21 2.909 3.553 -8.382 1.00 0.00 S ATOM 344 CE MET A 21 2.905 1.768 -8.216 1.00 0.00 C ATOM 0 H MET A 21 2.225 4.393 -11.933 1.00 0.00 H new ATOM 0 HA MET A 21 4.963 3.576 -12.453 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.790 2.285 -10.759 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.500 1.903 -10.720 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.035 3.740 -9.471 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.831 4.756 -10.238 1.00 0.00 H new ATOM 0 HE1 MET A 21 1.882 1.398 -8.288 1.00 0.00 H new ATOM 0 HE2 MET A 21 3.507 1.327 -9.011 1.00 0.00 H new ATOM 0 HE3 MET A 21 3.323 1.492 -7.248 1.00 0.00 H new ATOM 354 N GLY A 22 2.466 2.180 -13.928 1.00 0.00 N ATOM 355 CA GLY A 22 2.098 1.152 -14.880 1.00 0.00 C ATOM 356 C GLY A 22 1.873 -0.175 -14.193 1.00 0.00 C ATOM 357 O GLY A 22 2.542 -1.164 -14.493 1.00 0.00 O ATOM 0 H GLY A 22 1.770 2.914 -13.794 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.192 1.449 -15.408 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.883 1.048 -15.629 1.00 0.00 H new ATOM 361 N VAL A 23 0.934 -0.188 -13.256 1.00 0.00 N ATOM 362 CA VAL A 23 0.624 -1.397 -12.501 1.00 0.00 C ATOM 363 C VAL A 23 -0.308 -2.310 -13.293 1.00 0.00 C ATOM 364 O VAL A 23 -1.322 -1.864 -13.830 1.00 0.00 O ATOM 365 CB VAL A 23 0.000 -1.043 -11.131 1.00 0.00 C ATOM 366 CG1 VAL A 23 -0.486 -2.284 -10.396 1.00 0.00 C ATOM 367 CG2 VAL A 23 1.011 -0.287 -10.282 1.00 0.00 C ATOM 0 H VAL A 23 0.373 0.625 -13.000 1.00 0.00 H new ATOM 0 HA VAL A 23 1.557 -1.932 -12.326 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.868 -0.409 -11.311 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.918 -1.994 -9.438 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.242 -2.790 -10.997 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.353 -2.958 -10.226 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.565 -0.041 -9.318 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.892 -0.909 -10.126 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.301 0.631 -10.793 1.00 0.00 H new ATOM 377 N ASN A 24 0.056 -3.591 -13.373 1.00 0.00 N ATOM 378 CA ASN A 24 -0.731 -4.577 -14.113 1.00 0.00 C ATOM 379 C ASN A 24 -2.219 -4.419 -13.837 1.00 0.00 C ATOM 380 O ASN A 24 -2.618 -3.780 -12.869 1.00 0.00 O ATOM 381 CB ASN A 24 -0.272 -5.995 -13.766 1.00 0.00 C ATOM 382 CG ASN A 24 -1.116 -7.072 -14.420 1.00 0.00 C ATOM 383 OD1 ASN A 24 -1.573 -6.918 -15.553 1.00 0.00 O ATOM 384 ND2 ASN A 24 -1.321 -8.174 -13.709 1.00 0.00 N ATOM 0 H ASN A 24 0.894 -3.970 -12.932 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.568 -4.404 -15.177 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.766 -6.119 -14.073 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.302 -6.125 -12.684 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.876 -8.936 -14.098 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.923 -8.259 -12.774 1.00 0.00 H new ATOM 391 N ILE A 25 -3.029 -4.996 -14.708 1.00 0.00 N ATOM 392 CA ILE A 25 -4.479 -4.909 -14.580 1.00 0.00 C ATOM 393 C ILE A 25 -5.047 -6.009 -13.686 1.00 0.00 C ATOM 394 O ILE A 25 -5.887 -5.745 -12.829 1.00 0.00 O ATOM 395 CB ILE A 25 -5.164 -4.972 -15.958 1.00 0.00 C ATOM 396 CG1 ILE A 25 -6.659 -4.676 -15.824 1.00 0.00 C ATOM 397 CG2 ILE A 25 -4.941 -6.331 -16.608 1.00 0.00 C ATOM 398 CD1 ILE A 25 -6.972 -3.455 -14.984 1.00 0.00 C ATOM 0 H ILE A 25 -2.709 -5.532 -15.515 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.687 -3.946 -14.114 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.718 -4.212 -16.600 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.082 -4.538 -16.819 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.153 -5.543 -15.385 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.433 -6.354 -17.580 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.872 -6.501 -16.738 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.358 -7.112 -15.972 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.052 -3.313 -14.937 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.581 -3.596 -13.977 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.509 -2.576 -15.433 1.00 0.00 H new ATOM 410 N VAL A 26 -4.597 -7.240 -13.897 1.00 0.00 N ATOM 411 CA VAL A 26 -5.079 -8.377 -13.115 1.00 0.00 C ATOM 412 C VAL A 26 -4.994 -8.111 -11.614 1.00 0.00 C ATOM 413 O VAL A 26 -5.962 -8.320 -10.884 1.00 0.00 O ATOM 414 CB VAL A 26 -4.297 -9.663 -13.442 1.00 0.00 C ATOM 415 CG1 VAL A 26 -4.967 -10.867 -12.798 1.00 0.00 C ATOM 416 CG2 VAL A 26 -4.176 -9.851 -14.949 1.00 0.00 C ATOM 0 H VAL A 26 -3.900 -7.479 -14.602 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.125 -8.514 -13.391 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.291 -9.570 -13.033 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.403 -11.769 -13.038 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.994 -10.733 -11.717 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.984 -10.964 -13.177 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.620 -10.765 -15.158 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.171 -9.923 -15.388 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.650 -9.000 -15.381 1.00 0.00 H new ATOM 426 N LYS A 27 -3.835 -7.648 -11.159 1.00 0.00 N ATOM 427 CA LYS A 27 -3.637 -7.356 -9.743 1.00 0.00 C ATOM 428 C LYS A 27 -4.309 -6.040 -9.368 1.00 0.00 C ATOM 429 O LYS A 27 -4.787 -5.869 -8.246 1.00 0.00 O ATOM 430 CB LYS A 27 -2.144 -7.292 -9.417 1.00 0.00 C ATOM 431 CG LYS A 27 -1.359 -8.491 -9.923 1.00 0.00 C ATOM 432 CD LYS A 27 0.139 -8.293 -9.748 1.00 0.00 C ATOM 433 CE LYS A 27 0.685 -9.142 -8.611 1.00 0.00 C ATOM 434 NZ LYS A 27 0.391 -8.544 -7.279 1.00 0.00 N ATOM 0 H LYS A 27 -3.021 -7.467 -11.747 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.092 -8.158 -9.161 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.724 -6.384 -9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.019 -7.216 -8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.674 -9.386 -9.386 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.584 -8.656 -10.977 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.652 -8.551 -10.675 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.347 -7.241 -9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.252 -10.141 -8.664 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.763 -9.255 -8.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.275 -8.210 -6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.262 -7.743 -7.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.046 -9.261 -6.665 1.00 0.00 H new ATOM 448 N ARG A 28 -4.341 -5.116 -10.320 1.00 0.00 N ATOM 449 CA ARG A 28 -4.950 -3.809 -10.110 1.00 0.00 C ATOM 450 C ARG A 28 -6.476 -3.906 -10.090 1.00 0.00 C ATOM 451 O ARG A 28 -7.153 -3.030 -9.555 1.00 0.00 O ATOM 452 CB ARG A 28 -4.491 -2.857 -11.215 1.00 0.00 C ATOM 453 CG ARG A 28 -5.010 -1.448 -11.083 1.00 0.00 C ATOM 454 CD ARG A 28 -6.334 -1.276 -11.781 1.00 0.00 C ATOM 455 NE ARG A 28 -6.175 -0.917 -13.188 1.00 0.00 N ATOM 456 CZ ARG A 28 -7.131 -0.355 -13.923 1.00 0.00 C ATOM 457 NH1 ARG A 28 -8.316 -0.086 -13.389 1.00 0.00 N ATOM 458 NH2 ARG A 28 -6.903 -0.060 -15.195 1.00 0.00 N ATOM 0 H ARG A 28 -3.949 -5.250 -11.252 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.632 -3.425 -9.140 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.401 -2.830 -11.224 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.808 -3.259 -12.178 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.119 -1.197 -10.028 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.284 -0.752 -11.502 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.905 -2.202 -11.707 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.912 -0.503 -11.274 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.278 -1.109 -13.633 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.497 -0.310 -12.411 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.045 0.345 -13.957 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.994 -0.264 -15.611 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.636 0.371 -15.758 1.00 0.00 H new ATOM 472 N LYS A 29 -7.010 -4.973 -10.680 1.00 0.00 N ATOM 473 CA LYS A 29 -8.453 -5.190 -10.742 1.00 0.00 C ATOM 474 C LYS A 29 -9.126 -4.906 -9.402 1.00 0.00 C ATOM 475 O LYS A 29 -10.017 -4.062 -9.311 1.00 0.00 O ATOM 476 CB LYS A 29 -8.739 -6.631 -11.167 1.00 0.00 C ATOM 477 CG LYS A 29 -9.550 -6.744 -12.445 1.00 0.00 C ATOM 478 CD LYS A 29 -8.808 -6.160 -13.635 1.00 0.00 C ATOM 479 CE LYS A 29 -9.403 -6.637 -14.950 1.00 0.00 C ATOM 480 NZ LYS A 29 -10.278 -5.605 -15.571 1.00 0.00 N ATOM 0 H LYS A 29 -6.459 -5.707 -11.126 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.864 -4.496 -11.476 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.793 -7.155 -11.301 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.273 -7.138 -10.363 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.780 -7.792 -12.638 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.501 -6.226 -12.319 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.846 -5.072 -13.591 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.757 -6.445 -13.585 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.599 -6.894 -15.640 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.979 -7.546 -14.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.664 -5.969 -16.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.060 -5.378 -14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.723 -4.746 -15.758 1.00 0.00 H new ATOM 494 N LEU A 30 -8.698 -5.619 -8.369 1.00 0.00 N ATOM 495 CA LEU A 30 -9.264 -5.448 -7.038 1.00 0.00 C ATOM 496 C LEU A 30 -8.430 -4.463 -6.226 1.00 0.00 C ATOM 497 O LEU A 30 -8.949 -3.737 -5.379 1.00 0.00 O ATOM 498 CB LEU A 30 -9.340 -6.800 -6.316 1.00 0.00 C ATOM 499 CG LEU A 30 -9.315 -8.030 -7.229 1.00 0.00 C ATOM 500 CD1 LEU A 30 -9.356 -9.309 -6.408 1.00 0.00 C ATOM 501 CD2 LEU A 30 -10.478 -7.988 -8.210 1.00 0.00 C ATOM 0 H LEU A 30 -7.961 -6.321 -8.427 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.272 -5.047 -7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.505 -6.868 -5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.254 -6.826 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.384 -8.018 -7.796 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.337 -10.171 -7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.491 -9.344 -5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.269 -9.330 -5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.445 -8.869 -8.851 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.418 -7.975 -7.659 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.404 -7.090 -8.823 1.00 0.00 H new ATOM 513 N ALA A 31 -7.133 -4.448 -6.498 1.00 0.00 N ATOM 514 CA ALA A 31 -6.210 -3.561 -5.805 1.00 0.00 C ATOM 515 C ALA A 31 -6.432 -2.098 -6.179 1.00 0.00 C ATOM 516 O ALA A 31 -5.905 -1.204 -5.523 1.00 0.00 O ATOM 517 CB ALA A 31 -4.775 -3.966 -6.107 1.00 0.00 C ATOM 0 H ALA A 31 -6.694 -5.045 -7.199 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.400 -3.657 -4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.091 -3.297 -5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.608 -4.990 -5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.597 -3.901 -7.180 1.00 0.00 H new ATOM 523 N ALA A 32 -7.186 -1.851 -7.246 1.00 0.00 N ATOM 524 CA ALA A 32 -7.427 -0.483 -7.701 1.00 0.00 C ATOM 525 C ALA A 32 -8.000 0.411 -6.605 1.00 0.00 C ATOM 526 O ALA A 32 -7.535 1.534 -6.433 1.00 0.00 O ATOM 527 CB ALA A 32 -8.347 -0.475 -8.908 1.00 0.00 C ATOM 0 H ALA A 32 -7.638 -2.572 -7.808 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.456 -0.073 -7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.514 0.552 -9.231 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.888 -1.041 -9.719 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -9.301 -0.931 -8.642 1.00 0.00 H new ATOM 533 N HIS A 33 -9.004 -0.072 -5.867 1.00 0.00 N ATOM 534 CA HIS A 33 -9.611 0.725 -4.793 1.00 0.00 C ATOM 535 C HIS A 33 -10.965 0.170 -4.357 1.00 0.00 C ATOM 536 O HIS A 33 -11.313 0.220 -3.177 1.00 0.00 O ATOM 537 CB HIS A 33 -9.794 2.180 -5.235 1.00 0.00 C ATOM 538 CG HIS A 33 -10.340 2.322 -6.621 1.00 0.00 C ATOM 539 ND1 HIS A 33 -9.619 2.866 -7.664 1.00 0.00 N ATOM 540 CD2 HIS A 33 -11.546 1.988 -7.135 1.00 0.00 C ATOM 541 CE1 HIS A 33 -10.359 2.861 -8.758 1.00 0.00 C ATOM 542 NE2 HIS A 33 -11.532 2.333 -8.464 1.00 0.00 N ATOM 0 H HIS A 33 -9.411 -0.999 -5.990 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.927 0.674 -3.946 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -10.464 2.681 -4.537 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.833 2.692 -5.178 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -8.664 3.217 -7.600 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.367 1.534 -6.600 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.056 3.227 -9.728 1.00 0.00 H new ATOM 551 N ASP A 34 -11.737 -0.325 -5.315 1.00 0.00 N ATOM 552 CA ASP A 34 -13.069 -0.848 -5.029 1.00 0.00 C ATOM 553 C ASP A 34 -13.033 -2.118 -4.181 1.00 0.00 C ATOM 554 O ASP A 34 -13.733 -2.214 -3.174 1.00 0.00 O ATOM 555 CB ASP A 34 -13.820 -1.119 -6.333 1.00 0.00 C ATOM 556 CG ASP A 34 -15.280 -1.455 -6.102 1.00 0.00 C ATOM 557 OD1 ASP A 34 -15.556 -2.459 -5.412 1.00 0.00 O ATOM 558 OD2 ASP A 34 -16.148 -0.714 -6.610 1.00 0.00 O ATOM 0 H ASP A 34 -11.465 -0.376 -6.297 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.591 -0.086 -4.450 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.750 -0.243 -6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.340 -1.943 -6.861 1.00 0.00 H new ATOM 563 N ASN A 35 -12.239 -3.097 -4.597 1.00 0.00 N ATOM 564 CA ASN A 35 -12.154 -4.357 -3.869 1.00 0.00 C ATOM 565 C ASN A 35 -10.728 -4.654 -3.422 1.00 0.00 C ATOM 566 O ASN A 35 -10.024 -5.449 -4.042 1.00 0.00 O ATOM 567 CB ASN A 35 -12.692 -5.519 -4.720 1.00 0.00 C ATOM 568 CG ASN A 35 -13.140 -5.086 -6.105 1.00 0.00 C ATOM 569 OD1 ASN A 35 -12.632 -5.762 -7.128 1.00 0.00 O flip ATOM 570 ND2 ASN A 35 -13.933 -4.156 -6.251 1.00 0.00 N flip ATOM 0 H ASN A 35 -11.649 -3.044 -5.428 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.773 -4.256 -2.978 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.917 -6.280 -4.817 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.531 -5.983 -4.202 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -14.298 -3.664 -5.435 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.225 -3.877 -7.188 1.00 0.00 H new ATOM 577 N LEU A 36 -10.311 -4.020 -2.333 1.00 0.00 N ATOM 578 CA LEU A 36 -8.972 -4.229 -1.800 1.00 0.00 C ATOM 579 C LEU A 36 -9.013 -4.405 -0.286 1.00 0.00 C ATOM 580 O LEU A 36 -9.770 -3.728 0.410 1.00 0.00 O ATOM 581 CB LEU A 36 -8.059 -3.059 -2.170 1.00 0.00 C ATOM 582 CG LEU A 36 -6.654 -3.114 -1.564 1.00 0.00 C ATOM 583 CD1 LEU A 36 -5.767 -4.059 -2.360 1.00 0.00 C ATOM 584 CD2 LEU A 36 -6.043 -1.721 -1.509 1.00 0.00 C ATOM 0 H LEU A 36 -10.879 -3.359 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.570 -5.141 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.968 -3.019 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.537 -2.132 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.731 -3.494 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.772 -4.086 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.198 -5.060 -2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.695 -3.709 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.045 -1.779 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.978 -1.312 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.668 -1.073 -0.895 1.00 0.00 H new ATOM 596 N LYS A 37 -8.187 -5.315 0.213 1.00 0.00 N ATOM 597 CA LYS A 37 -8.111 -5.586 1.641 1.00 0.00 C ATOM 598 C LYS A 37 -6.670 -5.513 2.108 1.00 0.00 C ATOM 599 O LYS A 37 -5.816 -6.272 1.656 1.00 0.00 O ATOM 600 CB LYS A 37 -8.700 -6.960 1.962 1.00 0.00 C ATOM 601 CG LYS A 37 -9.399 -7.023 3.310 1.00 0.00 C ATOM 602 CD LYS A 37 -8.402 -7.158 4.449 1.00 0.00 C ATOM 603 CE LYS A 37 -8.153 -8.616 4.802 1.00 0.00 C ATOM 604 NZ LYS A 37 -9.425 -9.359 5.024 1.00 0.00 N ATOM 0 H LYS A 37 -7.557 -5.881 -0.355 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.694 -4.831 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.410 -7.233 1.181 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.902 -7.702 1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.997 -6.123 3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.087 -7.868 3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.461 -6.685 4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.776 -6.629 5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.589 -9.093 4.000 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.538 -8.672 5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.297 -10.043 5.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.179 -8.689 5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.688 -9.865 4.154 1.00 0.00 H new ATOM 618 N LEU A 38 -6.413 -4.588 3.014 1.00 0.00 N ATOM 619 CA LEU A 38 -5.082 -4.393 3.557 1.00 0.00 C ATOM 620 C LEU A 38 -5.028 -4.966 4.971 1.00 0.00 C ATOM 621 O LEU A 38 -5.947 -4.768 5.759 1.00 0.00 O ATOM 622 CB LEU A 38 -4.751 -2.889 3.540 1.00 0.00 C ATOM 623 CG LEU A 38 -3.260 -2.509 3.392 1.00 0.00 C ATOM 624 CD1 LEU A 38 -2.490 -3.549 2.584 1.00 0.00 C ATOM 625 CD2 LEU A 38 -3.113 -1.138 2.736 1.00 0.00 C ATOM 0 H LEU A 38 -7.117 -3.954 3.392 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.338 -4.914 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.303 -2.428 2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.125 -2.448 4.464 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.837 -2.474 4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.446 -3.246 2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.549 -4.515 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.924 -3.629 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.055 -0.891 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.571 -1.157 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.608 -0.386 3.350 1.00 0.00 H new ATOM 637 N THR A 39 -3.977 -5.714 5.283 1.00 0.00 N ATOM 638 CA THR A 39 -3.863 -6.332 6.602 1.00 0.00 C ATOM 639 C THR A 39 -2.570 -5.931 7.302 1.00 0.00 C ATOM 640 O THR A 39 -1.622 -5.470 6.667 1.00 0.00 O ATOM 641 CB THR A 39 -3.947 -7.855 6.481 1.00 0.00 C ATOM 642 OG1 THR A 39 -5.172 -8.243 5.885 1.00 0.00 O ATOM 643 CG2 THR A 39 -3.839 -8.571 7.811 1.00 0.00 C ATOM 0 H THR A 39 -3.200 -5.907 4.651 1.00 0.00 H new ATOM 0 HA THR A 39 -4.694 -5.973 7.209 1.00 0.00 H new ATOM 0 HB THR A 39 -3.096 -8.141 5.863 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.060 -8.297 4.913 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.906 -9.647 7.651 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.883 -8.332 8.276 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.650 -8.250 8.464 1.00 0.00 H new ATOM 651 N ILE A 40 -2.548 -6.109 8.619 1.00 0.00 N ATOM 652 CA ILE A 40 -1.383 -5.768 9.424 1.00 0.00 C ATOM 653 C ILE A 40 -1.121 -6.832 10.486 1.00 0.00 C ATOM 654 O ILE A 40 -2.054 -7.435 11.016 1.00 0.00 O ATOM 655 CB ILE A 40 -1.566 -4.403 10.113 1.00 0.00 C ATOM 656 CG1 ILE A 40 -1.973 -3.342 9.088 1.00 0.00 C ATOM 657 CG2 ILE A 40 -0.289 -3.991 10.831 1.00 0.00 C ATOM 658 CD1 ILE A 40 -2.402 -2.033 9.712 1.00 0.00 C ATOM 0 H ILE A 40 -3.329 -6.490 9.153 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.529 -5.717 8.749 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.360 -4.492 10.854 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.135 -3.157 8.416 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.790 -3.730 8.480 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.438 -3.024 11.312 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.039 -4.737 11.586 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.526 -3.917 10.111 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.676 -1.328 8.927 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.260 -2.204 10.362 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.579 -1.622 10.297 1.00 0.00 H new ATOM 670 N THR A 41 0.152 -7.057 10.794 1.00 0.00 N ATOM 671 CA THR A 41 0.532 -8.049 11.794 1.00 0.00 C ATOM 672 C THR A 41 1.628 -7.511 12.708 1.00 0.00 C ATOM 673 O THR A 41 2.281 -6.516 12.392 1.00 0.00 O ATOM 674 CB THR A 41 1.005 -9.335 11.116 1.00 0.00 C ATOM 675 OG1 THR A 41 0.192 -9.639 9.996 1.00 0.00 O ATOM 676 CG2 THR A 41 0.989 -10.537 12.035 1.00 0.00 C ATOM 0 H THR A 41 0.937 -6.567 10.366 1.00 0.00 H new ATOM 0 HA THR A 41 -0.347 -8.268 12.400 1.00 0.00 H new ATOM 0 HB THR A 41 2.035 -9.142 10.816 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.329 -8.963 9.299 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.336 -11.416 11.491 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.646 -10.354 12.885 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.027 -10.709 12.392 1.00 0.00 H new ATOM 684 N GLN A 42 1.822 -8.174 13.845 1.00 0.00 N ATOM 685 CA GLN A 42 2.838 -7.760 14.807 1.00 0.00 C ATOM 686 C GLN A 42 3.871 -8.863 15.022 1.00 0.00 C ATOM 687 O GLN A 42 3.527 -9.991 15.374 1.00 0.00 O ATOM 688 CB GLN A 42 2.186 -7.389 16.140 1.00 0.00 C ATOM 689 CG GLN A 42 1.526 -8.564 16.844 1.00 0.00 C ATOM 690 CD GLN A 42 0.616 -8.129 17.976 1.00 0.00 C ATOM 691 OE1 GLN A 42 -0.327 -7.245 17.671 1.00 0.00 O flip ATOM 692 NE2 GLN A 42 0.758 -8.582 19.112 1.00 0.00 N flip ATOM 0 H GLN A 42 1.290 -8.999 14.122 1.00 0.00 H new ATOM 0 HA GLN A 42 3.348 -6.886 14.403 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.942 -6.961 16.798 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.439 -6.614 15.966 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.949 -9.139 16.120 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.297 -9.227 17.237 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.496 -9.260 19.302 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.137 -8.280 19.863 1.00 0.00 H new ATOM 701 N GLU A 43 5.139 -8.524 14.813 1.00 0.00 N ATOM 702 CA GLU A 43 6.228 -9.479 14.986 1.00 0.00 C ATOM 703 C GLU A 43 7.551 -8.751 15.195 1.00 0.00 C ATOM 704 O GLU A 43 8.240 -8.409 14.235 1.00 0.00 O ATOM 705 CB GLU A 43 6.332 -10.399 13.770 1.00 0.00 C ATOM 706 CG GLU A 43 5.510 -11.671 13.895 1.00 0.00 C ATOM 707 CD GLU A 43 5.836 -12.456 15.150 1.00 0.00 C ATOM 708 OE1 GLU A 43 6.854 -13.179 15.150 1.00 0.00 O ATOM 709 OE2 GLU A 43 5.073 -12.348 16.133 1.00 0.00 O ATOM 0 H GLU A 43 5.438 -7.593 14.523 1.00 0.00 H new ATOM 0 HA GLU A 43 6.013 -10.081 15.869 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.008 -9.853 12.884 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.377 -10.666 13.616 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.450 -11.416 13.896 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.686 -12.300 13.022 1.00 0.00 H new ATOM 716 N GLY A 44 7.898 -8.513 16.454 1.00 0.00 N ATOM 717 CA GLY A 44 9.136 -7.819 16.757 1.00 0.00 C ATOM 718 C GLY A 44 9.168 -6.428 16.151 1.00 0.00 C ATOM 719 O GLY A 44 8.156 -5.728 16.150 1.00 0.00 O ATOM 0 H GLY A 44 7.347 -8.787 17.268 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.257 -7.747 17.838 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.979 -8.399 16.380 1.00 0.00 H new ATOM 723 N ASN A 45 10.321 -6.026 15.621 1.00 0.00 N ATOM 724 CA ASN A 45 10.444 -4.709 15.000 1.00 0.00 C ATOM 725 C ASN A 45 9.941 -4.740 13.562 1.00 0.00 C ATOM 726 O ASN A 45 10.060 -3.754 12.835 1.00 0.00 O ATOM 727 CB ASN A 45 11.892 -4.200 15.020 1.00 0.00 C ATOM 728 CG ASN A 45 12.919 -5.296 15.250 1.00 0.00 C ATOM 729 OD1 ASN A 45 13.603 -5.317 16.273 1.00 0.00 O ATOM 730 ND2 ASN A 45 13.030 -6.212 14.295 1.00 0.00 N ATOM 0 H ASN A 45 11.174 -6.585 15.608 1.00 0.00 H new ATOM 0 HA ASN A 45 9.831 -4.025 15.586 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.107 -3.705 14.073 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.993 -3.449 15.803 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.703 -6.972 14.393 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.442 -6.155 13.463 1.00 0.00 H new ATOM 737 N LYS A 46 9.384 -5.875 13.151 1.00 0.00 N ATOM 738 CA LYS A 46 8.877 -6.012 11.793 1.00 0.00 C ATOM 739 C LYS A 46 7.396 -6.381 11.783 1.00 0.00 C ATOM 740 O LYS A 46 6.917 -7.117 12.644 1.00 0.00 O ATOM 741 CB LYS A 46 9.710 -7.040 11.012 1.00 0.00 C ATOM 742 CG LYS A 46 9.123 -8.446 10.983 1.00 0.00 C ATOM 743 CD LYS A 46 8.297 -8.685 9.732 1.00 0.00 C ATOM 744 CE LYS A 46 9.165 -8.686 8.482 1.00 0.00 C ATOM 745 NZ LYS A 46 9.893 -9.974 8.313 1.00 0.00 N ATOM 0 H LYS A 46 9.274 -6.705 13.734 1.00 0.00 H new ATOM 0 HA LYS A 46 8.972 -5.045 11.298 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.827 -6.689 9.987 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.707 -7.086 11.449 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.929 -9.178 11.032 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.500 -8.598 11.865 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.776 -9.639 9.815 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.534 -7.912 9.646 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.541 -8.504 7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.883 -7.868 8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.221 -10.061 7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.711 -9.997 8.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.256 -10.765 8.537 1.00 0.00 H new ATOM 759 N PHE A 47 6.680 -5.851 10.799 1.00 0.00 N ATOM 760 CA PHE A 47 5.251 -6.103 10.659 1.00 0.00 C ATOM 761 C PHE A 47 4.969 -6.948 9.423 1.00 0.00 C ATOM 762 O PHE A 47 5.824 -7.096 8.557 1.00 0.00 O ATOM 763 CB PHE A 47 4.499 -4.778 10.540 1.00 0.00 C ATOM 764 CG PHE A 47 4.242 -4.082 11.853 1.00 0.00 C ATOM 765 CD1 PHE A 47 4.978 -4.398 12.987 1.00 0.00 C ATOM 766 CD2 PHE A 47 3.271 -3.098 11.948 1.00 0.00 C ATOM 767 CE1 PHE A 47 4.748 -3.749 14.184 1.00 0.00 C ATOM 768 CE2 PHE A 47 3.039 -2.444 13.144 1.00 0.00 C ATOM 769 CZ PHE A 47 3.778 -2.771 14.263 1.00 0.00 C ATOM 0 H PHE A 47 7.069 -5.240 10.081 1.00 0.00 H new ATOM 0 HA PHE A 47 4.913 -6.644 11.543 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.068 -4.109 9.894 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.544 -4.960 10.047 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.740 -5.161 12.932 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.688 -2.839 11.077 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.327 -4.007 15.058 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.280 -1.678 13.203 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.597 -2.262 15.198 1.00 0.00 H new ATOM 779 N THR A 48 3.758 -7.486 9.340 1.00 0.00 N ATOM 780 CA THR A 48 3.363 -8.301 8.196 1.00 0.00 C ATOM 781 C THR A 48 2.085 -7.753 7.567 1.00 0.00 C ATOM 782 O THR A 48 1.045 -7.682 8.222 1.00 0.00 O ATOM 783 CB THR A 48 3.152 -9.755 8.619 1.00 0.00 C ATOM 784 OG1 THR A 48 4.014 -10.096 9.691 1.00 0.00 O ATOM 785 CG2 THR A 48 3.396 -10.745 7.500 1.00 0.00 C ATOM 0 H THR A 48 3.034 -7.373 10.049 1.00 0.00 H new ATOM 0 HA THR A 48 4.165 -8.263 7.458 1.00 0.00 H new ATOM 0 HB THR A 48 2.106 -9.820 8.918 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.863 -11.029 9.948 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.229 -11.758 7.867 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.711 -10.540 6.677 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.424 -10.651 7.149 1.00 0.00 H new ATOM 793 N VAL A 49 2.163 -7.367 6.296 1.00 0.00 N ATOM 794 CA VAL A 49 0.999 -6.829 5.596 1.00 0.00 C ATOM 795 C VAL A 49 0.422 -7.856 4.630 1.00 0.00 C ATOM 796 O VAL A 49 1.095 -8.297 3.698 1.00 0.00 O ATOM 797 CB VAL A 49 1.312 -5.524 4.817 1.00 0.00 C ATOM 798 CG1 VAL A 49 0.493 -4.365 5.365 1.00 0.00 C ATOM 799 CG2 VAL A 49 2.796 -5.185 4.852 1.00 0.00 C ATOM 0 H VAL A 49 3.012 -7.416 5.733 1.00 0.00 H new ATOM 0 HA VAL A 49 0.269 -6.592 6.370 1.00 0.00 H new ATOM 0 HB VAL A 49 1.036 -5.693 3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.726 -3.459 4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.569 -4.590 5.265 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.734 -4.215 6.417 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.972 -4.265 4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.114 -5.050 5.886 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.366 -5.997 4.400 1.00 0.00 H new ATOM 809 N LYS A 50 -0.830 -8.232 4.863 1.00 0.00 N ATOM 810 CA LYS A 50 -1.508 -9.208 4.018 1.00 0.00 C ATOM 811 C LYS A 50 -2.571 -8.535 3.155 1.00 0.00 C ATOM 812 O LYS A 50 -3.517 -7.938 3.670 1.00 0.00 O ATOM 813 CB LYS A 50 -2.148 -10.300 4.880 1.00 0.00 C ATOM 814 CG LYS A 50 -1.387 -11.615 4.860 1.00 0.00 C ATOM 815 CD LYS A 50 -2.310 -12.797 5.107 1.00 0.00 C ATOM 816 CE LYS A 50 -2.678 -12.919 6.577 1.00 0.00 C ATOM 817 NZ LYS A 50 -4.017 -12.334 6.865 1.00 0.00 N ATOM 0 H LYS A 50 -1.397 -7.875 5.632 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.767 -9.661 3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.217 -9.945 5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.167 -10.474 4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.891 -11.735 3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.606 -11.596 5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.216 -12.683 4.512 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.824 -13.715 4.775 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.671 -13.970 6.867 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.924 -12.416 7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.126 -12.204 7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.104 -11.414 6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.758 -12.975 6.517 1.00 0.00 H new ATOM 831 N GLU A 51 -2.411 -8.635 1.840 1.00 0.00 N ATOM 832 CA GLU A 51 -3.360 -8.036 0.908 1.00 0.00 C ATOM 833 C GLU A 51 -4.209 -9.109 0.233 1.00 0.00 C ATOM 834 O GLU A 51 -3.690 -9.970 -0.474 1.00 0.00 O ATOM 835 CB GLU A 51 -2.619 -7.213 -0.148 1.00 0.00 C ATOM 836 CG GLU A 51 -2.323 -5.788 0.288 1.00 0.00 C ATOM 837 CD GLU A 51 -1.103 -5.210 -0.401 1.00 0.00 C ATOM 838 OE1 GLU A 51 -1.123 -5.090 -1.644 1.00 0.00 O ATOM 839 OE2 GLU A 51 -0.126 -4.876 0.303 1.00 0.00 O ATOM 0 H GLU A 51 -1.634 -9.124 1.396 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.021 -7.378 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.681 -7.711 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.214 -7.188 -1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.188 -5.160 0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.171 -5.766 1.367 1.00 0.00 H new ATOM 846 N SER A 52 -5.517 -9.057 0.457 1.00 0.00 N ATOM 847 CA SER A 52 -6.425 -10.034 -0.133 1.00 0.00 C ATOM 848 C SER A 52 -7.632 -9.354 -0.769 1.00 0.00 C ATOM 849 O SER A 52 -8.143 -8.362 -0.253 1.00 0.00 O ATOM 850 CB SER A 52 -6.890 -11.033 0.929 1.00 0.00 C ATOM 851 OG SER A 52 -7.011 -12.336 0.386 1.00 0.00 O ATOM 0 H SER A 52 -5.971 -8.353 1.039 1.00 0.00 H new ATOM 0 HA SER A 52 -5.882 -10.565 -0.915 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.181 -11.045 1.757 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.850 -10.715 1.336 1.00 0.00 H new ATOM 0 HG SER A 52 -7.308 -12.955 1.085 1.00 0.00 H new ATOM 857 N SER A 53 -8.086 -9.900 -1.892 1.00 0.00 N ATOM 858 CA SER A 53 -9.238 -9.351 -2.595 1.00 0.00 C ATOM 859 C SER A 53 -9.995 -10.451 -3.332 1.00 0.00 C ATOM 860 O SER A 53 -9.394 -11.414 -3.807 1.00 0.00 O ATOM 861 CB SER A 53 -8.793 -8.270 -3.580 1.00 0.00 C ATOM 862 OG SER A 53 -8.126 -7.213 -2.912 1.00 0.00 O ATOM 0 H SER A 53 -7.674 -10.722 -2.334 1.00 0.00 H new ATOM 0 HA SER A 53 -9.906 -8.905 -1.859 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.131 -8.706 -4.328 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.661 -7.878 -4.111 1.00 0.00 H new ATOM 0 HG SER A 53 -7.767 -6.584 -3.572 1.00 0.00 H new ATOM 868 N ALA A 54 -11.316 -10.296 -3.421 1.00 0.00 N ATOM 869 CA ALA A 54 -12.176 -11.268 -4.098 1.00 0.00 C ATOM 870 C ALA A 54 -11.716 -12.709 -3.848 1.00 0.00 C ATOM 871 O ALA A 54 -12.095 -13.323 -2.851 1.00 0.00 O ATOM 872 CB ALA A 54 -12.239 -10.967 -5.590 1.00 0.00 C ATOM 0 H ALA A 54 -11.818 -9.499 -3.029 1.00 0.00 H new ATOM 0 HA ALA A 54 -13.178 -11.175 -3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.882 -11.697 -6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -12.644 -9.966 -5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.237 -11.022 -6.015 1.00 0.00 H new ATOM 878 N PHE A 55 -10.899 -13.242 -4.756 1.00 0.00 N ATOM 879 CA PHE A 55 -10.395 -14.606 -4.624 1.00 0.00 C ATOM 880 C PHE A 55 -8.866 -14.636 -4.627 1.00 0.00 C ATOM 881 O PHE A 55 -8.255 -15.542 -4.062 1.00 0.00 O ATOM 882 CB PHE A 55 -10.936 -15.481 -5.756 1.00 0.00 C ATOM 883 CG PHE A 55 -12.163 -16.260 -5.378 1.00 0.00 C ATOM 884 CD1 PHE A 55 -12.063 -17.400 -4.597 1.00 0.00 C ATOM 885 CD2 PHE A 55 -13.417 -15.852 -5.803 1.00 0.00 C ATOM 886 CE1 PHE A 55 -13.191 -18.119 -4.248 1.00 0.00 C ATOM 887 CE2 PHE A 55 -14.548 -16.566 -5.457 1.00 0.00 C ATOM 888 CZ PHE A 55 -14.435 -17.701 -4.678 1.00 0.00 C ATOM 0 H PHE A 55 -10.573 -12.750 -5.588 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.741 -14.999 -3.668 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -11.166 -14.850 -6.614 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.157 -16.176 -6.071 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.093 -17.731 -4.257 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -13.511 -14.965 -6.412 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.099 -19.007 -3.640 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -15.519 -16.237 -5.795 1.00 0.00 H new ATOM 0 HZ PHE A 55 -15.318 -18.260 -4.406 1.00 0.00 H new ATOM 898 N ARG A 56 -8.254 -13.645 -5.271 1.00 0.00 N ATOM 899 CA ARG A 56 -6.799 -13.565 -5.349 1.00 0.00 C ATOM 900 C ARG A 56 -6.173 -13.534 -3.958 1.00 0.00 C ATOM 901 O ARG A 56 -6.875 -13.450 -2.951 1.00 0.00 O ATOM 902 CB ARG A 56 -6.378 -12.323 -6.137 1.00 0.00 C ATOM 903 CG ARG A 56 -6.250 -12.566 -7.632 1.00 0.00 C ATOM 904 CD ARG A 56 -4.850 -13.029 -8.003 1.00 0.00 C ATOM 905 NE ARG A 56 -4.557 -14.360 -7.479 1.00 0.00 N ATOM 906 CZ ARG A 56 -4.992 -15.489 -8.036 1.00 0.00 C ATOM 907 NH1 ARG A 56 -5.738 -15.451 -9.132 1.00 0.00 N ATOM 908 NH2 ARG A 56 -4.679 -16.658 -7.494 1.00 0.00 N ATOM 0 H ARG A 56 -8.744 -12.887 -5.746 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.442 -14.456 -5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.107 -11.531 -5.967 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.423 -11.965 -5.752 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.977 -13.316 -7.943 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.486 -11.649 -8.172 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.746 -13.036 -9.088 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.119 -12.318 -7.617 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.986 -14.429 -6.637 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.981 -14.554 -9.553 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.068 -16.319 -9.554 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.106 -16.692 -6.651 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.012 -17.523 -7.920 1.00 0.00 H new ATOM 922 N ASN A 57 -4.845 -13.603 -3.912 1.00 0.00 N ATOM 923 CA ASN A 57 -4.121 -13.583 -2.647 1.00 0.00 C ATOM 924 C ASN A 57 -2.834 -12.771 -2.768 1.00 0.00 C ATOM 925 O ASN A 57 -2.055 -12.959 -3.703 1.00 0.00 O ATOM 926 CB ASN A 57 -3.798 -15.009 -2.198 1.00 0.00 C ATOM 927 CG ASN A 57 -2.914 -15.741 -3.189 1.00 0.00 C ATOM 928 OD1 ASN A 57 -3.133 -15.676 -4.399 1.00 0.00 O ATOM 929 ND2 ASN A 57 -1.908 -16.443 -2.680 1.00 0.00 N ATOM 0 H ASN A 57 -4.250 -13.673 -4.737 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.758 -13.110 -1.900 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.303 -14.978 -1.227 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.727 -15.564 -2.065 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.280 -16.956 -3.298 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.764 -16.469 -1.671 1.00 0.00 H new ATOM 936 N ILE A 58 -2.619 -11.870 -1.816 1.00 0.00 N ATOM 937 CA ILE A 58 -1.428 -11.027 -1.811 1.00 0.00 C ATOM 938 C ILE A 58 -0.925 -10.804 -0.388 1.00 0.00 C ATOM 939 O ILE A 58 -1.696 -10.860 0.570 1.00 0.00 O ATOM 940 CB ILE A 58 -1.695 -9.659 -2.478 1.00 0.00 C ATOM 941 CG1 ILE A 58 -2.579 -9.825 -3.720 1.00 0.00 C ATOM 942 CG2 ILE A 58 -0.382 -8.985 -2.846 1.00 0.00 C ATOM 943 CD1 ILE A 58 -3.122 -8.518 -4.261 1.00 0.00 C ATOM 0 H ILE A 58 -3.255 -11.704 -1.036 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.665 -11.552 -2.387 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.223 -9.026 -1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.003 -10.320 -4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.414 -10.482 -3.476 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.586 -8.022 -3.315 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.213 -8.831 -1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.169 -9.618 -3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.738 -8.715 -5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.726 -8.031 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.293 -7.867 -4.538 1.00 0.00 H new ATOM 955 N GLU A 59 0.375 -10.561 -0.252 1.00 0.00 N ATOM 956 CA GLU A 59 0.975 -10.340 1.056 1.00 0.00 C ATOM 957 C GLU A 59 2.434 -9.916 0.918 1.00 0.00 C ATOM 958 O GLU A 59 3.043 -10.092 -0.138 1.00 0.00 O ATOM 959 CB GLU A 59 0.874 -11.612 1.901 1.00 0.00 C ATOM 960 CG GLU A 59 1.566 -11.508 3.249 1.00 0.00 C ATOM 961 CD GLU A 59 1.353 -12.736 4.113 1.00 0.00 C ATOM 962 OE1 GLU A 59 0.432 -13.523 3.809 1.00 0.00 O ATOM 963 OE2 GLU A 59 2.107 -12.910 5.093 1.00 0.00 O ATOM 0 H GLU A 59 1.031 -10.513 -1.032 1.00 0.00 H new ATOM 0 HA GLU A 59 0.430 -9.537 1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.178 -11.849 2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.307 -12.443 1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.635 -11.359 3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.195 -10.629 3.776 1.00 0.00 H new ATOM 970 N VAL A 60 2.993 -9.356 1.988 1.00 0.00 N ATOM 971 CA VAL A 60 4.380 -8.911 1.972 1.00 0.00 C ATOM 972 C VAL A 60 4.847 -8.463 3.357 1.00 0.00 C ATOM 973 O VAL A 60 4.609 -7.330 3.764 1.00 0.00 O ATOM 974 CB VAL A 60 4.581 -7.756 0.967 1.00 0.00 C ATOM 975 CG1 VAL A 60 3.676 -6.576 1.302 1.00 0.00 C ATOM 976 CG2 VAL A 60 6.039 -7.323 0.928 1.00 0.00 C ATOM 0 H VAL A 60 2.508 -9.201 2.872 1.00 0.00 H new ATOM 0 HA VAL A 60 4.981 -9.766 1.663 1.00 0.00 H new ATOM 0 HB VAL A 60 4.306 -8.120 -0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.838 -5.777 0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.634 -6.894 1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.908 -6.212 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.158 -6.508 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.345 -6.985 1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.661 -8.165 0.624 1.00 0.00 H new ATOM 986 N VAL A 61 5.530 -9.350 4.073 1.00 0.00 N ATOM 987 CA VAL A 61 6.038 -9.014 5.399 1.00 0.00 C ATOM 988 C VAL A 61 7.000 -7.829 5.296 1.00 0.00 C ATOM 989 O VAL A 61 7.573 -7.590 4.233 1.00 0.00 O ATOM 990 CB VAL A 61 6.740 -10.226 6.055 1.00 0.00 C ATOM 991 CG1 VAL A 61 8.180 -10.351 5.583 1.00 0.00 C ATOM 992 CG2 VAL A 61 6.674 -10.130 7.572 1.00 0.00 C ATOM 0 H VAL A 61 5.743 -10.298 3.762 1.00 0.00 H new ATOM 0 HA VAL A 61 5.195 -8.739 6.033 1.00 0.00 H new ATOM 0 HB VAL A 61 6.210 -11.127 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 61 8.646 -11.212 6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.198 -10.483 4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.729 -9.447 5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.174 -10.992 8.013 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.169 -9.216 7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.632 -10.112 7.890 1.00 0.00 H new ATOM 1002 N PHE A 62 7.168 -7.073 6.380 1.00 0.00 N ATOM 1003 CA PHE A 62 8.053 -5.914 6.339 1.00 0.00 C ATOM 1004 C PHE A 62 8.622 -5.572 7.707 1.00 0.00 C ATOM 1005 O PHE A 62 8.140 -6.045 8.733 1.00 0.00 O ATOM 1006 CB PHE A 62 7.301 -4.713 5.776 1.00 0.00 C ATOM 1007 CG PHE A 62 7.241 -4.703 4.278 1.00 0.00 C ATOM 1008 CD1 PHE A 62 8.404 -4.756 3.529 1.00 0.00 C ATOM 1009 CD2 PHE A 62 6.025 -4.629 3.620 1.00 0.00 C ATOM 1010 CE1 PHE A 62 8.356 -4.738 2.150 1.00 0.00 C ATOM 1011 CE2 PHE A 62 5.971 -4.607 2.240 1.00 0.00 C ATOM 1012 CZ PHE A 62 7.137 -4.661 1.505 1.00 0.00 C ATOM 0 H PHE A 62 6.713 -7.238 7.278 1.00 0.00 H new ATOM 0 HA PHE A 62 8.893 -6.167 5.692 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.286 -4.709 6.174 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.782 -3.797 6.120 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.359 -4.812 4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.110 -4.588 4.192 1.00 0.00 H new ATOM 0 HE1 PHE A 62 9.270 -4.784 1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.017 -4.548 1.737 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.097 -4.643 0.426 1.00 0.00 H new ATOM 1022 N GLU A 63 9.660 -4.742 7.702 1.00 0.00 N ATOM 1023 CA GLU A 63 10.317 -4.322 8.931 1.00 0.00 C ATOM 1024 C GLU A 63 10.419 -2.804 9.005 1.00 0.00 C ATOM 1025 O GLU A 63 10.467 -2.123 7.980 1.00 0.00 O ATOM 1026 CB GLU A 63 11.708 -4.945 9.016 1.00 0.00 C ATOM 1027 CG GLU A 63 12.387 -4.741 10.361 1.00 0.00 C ATOM 1028 CD GLU A 63 13.793 -5.307 10.396 1.00 0.00 C ATOM 1029 OE1 GLU A 63 13.949 -6.525 10.169 1.00 0.00 O ATOM 1030 OE2 GLU A 63 14.739 -4.531 10.650 1.00 0.00 O ATOM 0 H GLU A 63 10.065 -4.346 6.854 1.00 0.00 H new ATOM 0 HA GLU A 63 9.717 -4.664 9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.631 -6.014 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.336 -4.519 8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.422 -3.675 10.588 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.790 -5.213 11.141 1.00 0.00 H new ATOM 1037 N LEU A 64 10.454 -2.281 10.225 1.00 0.00 N ATOM 1038 CA LEU A 64 10.553 -0.844 10.436 1.00 0.00 C ATOM 1039 C LEU A 64 11.985 -0.369 10.205 1.00 0.00 C ATOM 1040 O LEU A 64 12.868 -0.613 11.028 1.00 0.00 O ATOM 1041 CB LEU A 64 10.101 -0.499 11.856 1.00 0.00 C ATOM 1042 CG LEU A 64 8.696 -0.985 12.230 1.00 0.00 C ATOM 1043 CD1 LEU A 64 8.266 -0.407 13.569 1.00 0.00 C ATOM 1044 CD2 LEU A 64 7.693 -0.618 11.147 1.00 0.00 C ATOM 0 H LEU A 64 10.415 -2.832 11.083 1.00 0.00 H new ATOM 0 HA LEU A 64 9.904 -0.336 9.723 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.815 -0.925 12.561 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.138 0.583 11.979 1.00 0.00 H new ATOM 0 HG LEU A 64 8.726 -2.071 12.317 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.266 -0.765 13.815 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.965 -0.723 14.343 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.258 0.681 13.510 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.703 -0.972 11.433 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.670 0.465 11.025 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.987 -1.083 10.206 1.00 0.00 H new ATOM 1056 N GLY A 65 12.215 0.295 9.074 1.00 0.00 N ATOM 1057 CA GLY A 65 13.547 0.770 8.756 1.00 0.00 C ATOM 1058 C GLY A 65 14.239 -0.122 7.750 1.00 0.00 C ATOM 1059 O GLY A 65 15.467 -0.146 7.665 1.00 0.00 O ATOM 0 H GLY A 65 11.504 0.511 8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 65 13.486 1.784 8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.142 0.819 9.668 1.00 0.00 H new ATOM 1063 N VAL A 66 13.441 -0.855 6.984 1.00 0.00 N ATOM 1064 CA VAL A 66 13.964 -1.755 5.971 1.00 0.00 C ATOM 1065 C VAL A 66 13.265 -1.522 4.642 1.00 0.00 C ATOM 1066 O VAL A 66 12.058 -1.283 4.588 1.00 0.00 O ATOM 1067 CB VAL A 66 13.815 -3.224 6.402 1.00 0.00 C ATOM 1068 CG1 VAL A 66 14.411 -4.157 5.358 1.00 0.00 C ATOM 1069 CG2 VAL A 66 14.476 -3.431 7.755 1.00 0.00 C ATOM 0 H VAL A 66 12.423 -0.841 7.048 1.00 0.00 H new ATOM 0 HA VAL A 66 15.027 -1.544 5.852 1.00 0.00 H new ATOM 0 HB VAL A 66 12.755 -3.460 6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.294 -5.190 5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.896 -4.016 4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.471 -3.934 5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.368 -4.473 8.057 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.535 -3.181 7.685 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.000 -2.788 8.495 1.00 0.00 H new ATOM 1079 N THR A 67 14.048 -1.563 3.578 1.00 0.00 N ATOM 1080 CA THR A 67 13.545 -1.329 2.235 1.00 0.00 C ATOM 1081 C THR A 67 12.307 -2.171 1.918 1.00 0.00 C ATOM 1082 O THR A 67 12.180 -3.315 2.353 1.00 0.00 O ATOM 1083 CB THR A 67 14.660 -1.602 1.222 1.00 0.00 C ATOM 1084 OG1 THR A 67 15.536 -0.492 1.138 1.00 0.00 O ATOM 1085 CG2 THR A 67 14.164 -1.898 -0.180 1.00 0.00 C ATOM 0 H THR A 67 15.048 -1.759 3.620 1.00 0.00 H new ATOM 0 HA THR A 67 13.234 -0.286 2.170 1.00 0.00 H new ATOM 0 HB THR A 67 15.167 -2.492 1.596 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.020 0.317 0.940 1.00 0.00 H new ATOM 0 HG21 THR A 67 15.015 -2.080 -0.836 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.525 -2.781 -0.161 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.595 -1.046 -0.552 1.00 0.00 H new ATOM 1093 N PHE A 68 11.413 -1.580 1.129 1.00 0.00 N ATOM 1094 CA PHE A 68 10.185 -2.234 0.699 1.00 0.00 C ATOM 1095 C PHE A 68 10.485 -3.114 -0.508 1.00 0.00 C ATOM 1096 O PHE A 68 11.506 -2.933 -1.173 1.00 0.00 O ATOM 1097 CB PHE A 68 9.125 -1.176 0.340 1.00 0.00 C ATOM 1098 CG PHE A 68 7.844 -1.253 1.139 1.00 0.00 C ATOM 1099 CD1 PHE A 68 7.820 -1.823 2.402 1.00 0.00 C ATOM 1100 CD2 PHE A 68 6.654 -0.755 0.617 1.00 0.00 C ATOM 1101 CE1 PHE A 68 6.643 -1.894 3.123 1.00 0.00 C ATOM 1102 CE2 PHE A 68 5.478 -0.829 1.336 1.00 0.00 C ATOM 1103 CZ PHE A 68 5.473 -1.400 2.589 1.00 0.00 C ATOM 0 H PHE A 68 11.522 -0.631 0.770 1.00 0.00 H new ATOM 0 HA PHE A 68 9.795 -2.853 1.507 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.561 -0.187 0.477 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.881 -1.273 -0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.731 -2.216 2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.651 -0.304 -0.364 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.640 -2.338 4.108 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.562 -0.439 0.916 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.553 -1.460 3.152 1.00 0.00 H new ATOM 1113 N ASN A 69 9.610 -4.068 -0.787 1.00 0.00 N ATOM 1114 CA ASN A 69 9.817 -4.970 -1.913 1.00 0.00 C ATOM 1115 C ASN A 69 8.508 -5.307 -2.618 1.00 0.00 C ATOM 1116 O ASN A 69 7.476 -5.515 -1.980 1.00 0.00 O ATOM 1117 CB ASN A 69 10.496 -6.256 -1.440 1.00 0.00 C ATOM 1118 CG ASN A 69 11.889 -6.008 -0.896 1.00 0.00 C ATOM 1119 OD1 ASN A 69 12.732 -5.410 -1.566 1.00 0.00 O ATOM 1120 ND2 ASN A 69 12.139 -6.469 0.324 1.00 0.00 N ATOM 0 H ASN A 69 8.756 -4.238 -0.255 1.00 0.00 H new ATOM 0 HA ASN A 69 10.460 -4.458 -2.629 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.885 -6.723 -0.668 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.553 -6.960 -2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.060 -6.333 0.742 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.410 -6.959 0.843 1.00 0.00 H new ATOM 1127 N TYR A 70 8.572 -5.370 -3.943 1.00 0.00 N ATOM 1128 CA TYR A 70 7.411 -5.695 -4.760 1.00 0.00 C ATOM 1129 C TYR A 70 7.832 -5.916 -6.208 1.00 0.00 C ATOM 1130 O TYR A 70 7.166 -5.465 -7.140 1.00 0.00 O ATOM 1131 CB TYR A 70 6.364 -4.582 -4.675 1.00 0.00 C ATOM 1132 CG TYR A 70 4.960 -5.096 -4.450 1.00 0.00 C ATOM 1133 CD1 TYR A 70 4.264 -5.740 -5.465 1.00 0.00 C ATOM 1134 CD2 TYR A 70 4.332 -4.941 -3.220 1.00 0.00 C ATOM 1135 CE1 TYR A 70 2.983 -6.215 -5.262 1.00 0.00 C ATOM 1136 CE2 TYR A 70 3.050 -5.413 -3.010 1.00 0.00 C ATOM 1137 CZ TYR A 70 2.380 -6.048 -4.033 1.00 0.00 C ATOM 1138 OH TYR A 70 1.104 -6.520 -3.827 1.00 0.00 O ATOM 0 H TYR A 70 9.424 -5.198 -4.477 1.00 0.00 H new ATOM 0 HA TYR A 70 6.967 -6.615 -4.379 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.630 -3.904 -3.864 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.387 -4.000 -5.596 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.732 -5.872 -6.429 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.854 -4.444 -2.416 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.456 -6.715 -6.062 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.576 -5.285 -2.048 1.00 0.00 H new ATOM 0 HH TYR A 70 0.827 -6.323 -2.908 1.00 0.00 H new ATOM 1148 N ASN A 71 8.953 -6.613 -6.384 1.00 0.00 N ATOM 1149 CA ASN A 71 9.486 -6.899 -7.711 1.00 0.00 C ATOM 1150 C ASN A 71 8.426 -7.520 -8.615 1.00 0.00 C ATOM 1151 O ASN A 71 7.460 -8.117 -8.140 1.00 0.00 O ATOM 1152 CB ASN A 71 10.691 -7.835 -7.605 1.00 0.00 C ATOM 1153 CG ASN A 71 11.711 -7.353 -6.592 1.00 0.00 C ATOM 1154 OD1 ASN A 71 11.506 -6.342 -5.921 1.00 0.00 O ATOM 1155 ND2 ASN A 71 12.818 -8.077 -6.476 1.00 0.00 N ATOM 0 H ASN A 71 9.511 -6.991 -5.619 1.00 0.00 H new ATOM 0 HA ASN A 71 9.799 -5.954 -8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.350 -8.832 -7.326 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.167 -7.922 -8.582 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.540 -7.802 -5.810 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.946 -8.908 -7.053 1.00 0.00 H new ATOM 1162 N LEU A 72 8.620 -7.374 -9.921 1.00 0.00 N ATOM 1163 CA LEU A 72 7.689 -7.918 -10.903 1.00 0.00 C ATOM 1164 C LEU A 72 8.164 -7.610 -12.319 1.00 0.00 C ATOM 1165 O LEU A 72 7.730 -6.635 -12.932 1.00 0.00 O ATOM 1166 CB LEU A 72 6.286 -7.345 -10.682 1.00 0.00 C ATOM 1167 CG LEU A 72 5.299 -8.295 -10.000 1.00 0.00 C ATOM 1168 CD1 LEU A 72 4.379 -7.528 -9.063 1.00 0.00 C ATOM 1169 CD2 LEU A 72 4.490 -9.057 -11.039 1.00 0.00 C ATOM 0 H LEU A 72 9.417 -6.882 -10.325 1.00 0.00 H new ATOM 0 HA LEU A 72 7.651 -9.000 -10.777 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.370 -6.440 -10.081 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.875 -7.049 -11.647 1.00 0.00 H new ATOM 0 HG LEU A 72 5.866 -9.015 -9.409 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.684 -8.221 -8.588 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.973 -7.028 -8.298 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.819 -6.785 -9.631 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.793 -9.728 -10.537 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.934 -8.351 -11.656 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.163 -9.638 -11.669 1.00 0.00 H new ATOM 1181 N ALA A 73 9.063 -8.447 -12.831 1.00 0.00 N ATOM 1182 CA ALA A 73 9.604 -8.266 -14.174 1.00 0.00 C ATOM 1183 C ALA A 73 8.493 -8.064 -15.201 1.00 0.00 C ATOM 1184 O ALA A 73 8.699 -7.430 -16.235 1.00 0.00 O ATOM 1185 CB ALA A 73 10.467 -9.459 -14.558 1.00 0.00 C ATOM 0 H ALA A 73 9.432 -9.258 -12.335 1.00 0.00 H new ATOM 0 HA ALA A 73 10.220 -7.367 -14.168 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.865 -9.312 -15.562 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.291 -9.554 -13.851 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.864 -10.367 -14.536 1.00 0.00 H new ATOM 1191 N ASP A 74 7.316 -8.608 -14.909 1.00 0.00 N ATOM 1192 CA ASP A 74 6.175 -8.485 -15.809 1.00 0.00 C ATOM 1193 C ASP A 74 5.024 -7.740 -15.139 1.00 0.00 C ATOM 1194 O ASP A 74 3.860 -7.943 -15.484 1.00 0.00 O ATOM 1195 CB ASP A 74 5.706 -9.869 -16.261 1.00 0.00 C ATOM 1196 CG ASP A 74 6.623 -10.479 -17.304 1.00 0.00 C ATOM 1197 OD1 ASP A 74 7.857 -10.402 -17.126 1.00 0.00 O ATOM 1198 OD2 ASP A 74 6.108 -11.032 -18.297 1.00 0.00 O ATOM 0 H ASP A 74 7.128 -9.137 -14.058 1.00 0.00 H new ATOM 0 HA ASP A 74 6.494 -7.912 -16.680 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.652 -10.531 -15.397 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.698 -9.793 -16.668 1.00 0.00 H new ATOM 1203 N GLY A 75 5.354 -6.877 -14.182 1.00 0.00 N ATOM 1204 CA GLY A 75 4.332 -6.120 -13.488 1.00 0.00 C ATOM 1205 C GLY A 75 4.700 -4.659 -13.331 1.00 0.00 C ATOM 1206 O GLY A 75 4.187 -3.802 -14.051 1.00 0.00 O ATOM 0 H GLY A 75 6.309 -6.690 -13.877 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.392 -6.198 -14.035 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.166 -6.557 -12.504 1.00 0.00 H new ATOM 1210 N THR A 76 5.583 -4.370 -12.380 1.00 0.00 N ATOM 1211 CA THR A 76 6.006 -3.002 -12.126 1.00 0.00 C ATOM 1212 C THR A 76 7.315 -2.955 -11.342 1.00 0.00 C ATOM 1213 O THR A 76 8.214 -2.177 -11.664 1.00 0.00 O ATOM 1214 CB THR A 76 4.912 -2.273 -11.354 1.00 0.00 C ATOM 1215 OG1 THR A 76 5.181 -0.884 -11.281 1.00 0.00 O ATOM 1216 CG2 THR A 76 4.738 -2.789 -9.942 1.00 0.00 C ATOM 0 H THR A 76 6.018 -5.066 -11.774 1.00 0.00 H new ATOM 0 HA THR A 76 6.177 -2.512 -13.085 1.00 0.00 H new ATOM 0 HB THR A 76 3.993 -2.460 -11.909 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.858 -0.445 -12.096 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.945 -2.230 -9.445 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.473 -3.846 -9.971 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.670 -2.663 -9.391 1.00 0.00 H new ATOM 1224 N GLU A 77 7.411 -3.783 -10.305 1.00 0.00 N ATOM 1225 CA GLU A 77 8.605 -3.826 -9.465 1.00 0.00 C ATOM 1226 C GLU A 77 8.768 -2.516 -8.702 1.00 0.00 C ATOM 1227 O GLU A 77 9.072 -1.478 -9.290 1.00 0.00 O ATOM 1228 CB GLU A 77 9.851 -4.098 -10.313 1.00 0.00 C ATOM 1229 CG GLU A 77 11.111 -4.317 -9.490 1.00 0.00 C ATOM 1230 CD GLU A 77 11.783 -5.643 -9.792 1.00 0.00 C ATOM 1231 OE1 GLU A 77 11.570 -6.178 -10.900 1.00 0.00 O ATOM 1232 OE2 GLU A 77 12.523 -6.145 -8.919 1.00 0.00 O ATOM 0 H GLU A 77 6.676 -4.433 -10.026 1.00 0.00 H new ATOM 0 HA GLU A 77 8.487 -4.638 -8.747 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.674 -4.977 -10.932 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.010 -3.258 -10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.813 -3.506 -9.684 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.860 -4.274 -8.430 1.00 0.00 H new ATOM 1239 N LEU A 78 8.553 -2.566 -7.390 1.00 0.00 N ATOM 1240 CA LEU A 78 8.666 -1.381 -6.553 1.00 0.00 C ATOM 1241 C LEU A 78 9.433 -1.694 -5.266 1.00 0.00 C ATOM 1242 O LEU A 78 9.072 -2.610 -4.525 1.00 0.00 O ATOM 1243 CB LEU A 78 7.266 -0.844 -6.227 1.00 0.00 C ATOM 1244 CG LEU A 78 6.740 0.237 -7.184 1.00 0.00 C ATOM 1245 CD1 LEU A 78 5.415 -0.183 -7.792 1.00 0.00 C ATOM 1246 CD2 LEU A 78 6.575 1.573 -6.483 1.00 0.00 C ATOM 0 H LEU A 78 8.300 -3.416 -6.886 1.00 0.00 H new ATOM 0 HA LEU A 78 9.223 -0.619 -7.098 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.565 -1.679 -6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.277 -0.437 -5.216 1.00 0.00 H new ATOM 0 HG LEU A 78 7.480 0.353 -7.976 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.061 0.597 -8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.548 -1.111 -8.348 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.683 -0.337 -6.999 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.201 2.312 -7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.867 1.468 -5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.538 1.900 -6.092 1.00 0.00 H new ATOM 1258 N ARG A 79 10.497 -0.931 -5.012 1.00 0.00 N ATOM 1259 CA ARG A 79 11.324 -1.120 -3.817 1.00 0.00 C ATOM 1260 C ARG A 79 11.604 0.214 -3.119 1.00 0.00 C ATOM 1261 O ARG A 79 12.178 1.119 -3.715 1.00 0.00 O ATOM 1262 CB ARG A 79 12.649 -1.776 -4.203 1.00 0.00 C ATOM 1263 CG ARG A 79 12.487 -3.029 -5.048 1.00 0.00 C ATOM 1264 CD ARG A 79 13.558 -4.059 -4.728 1.00 0.00 C ATOM 1265 NE ARG A 79 14.017 -4.761 -5.925 1.00 0.00 N ATOM 1266 CZ ARG A 79 14.883 -4.250 -6.797 1.00 0.00 C ATOM 1267 NH1 ARG A 79 15.386 -3.036 -6.610 1.00 0.00 N ATOM 1268 NH2 ARG A 79 15.248 -4.955 -7.859 1.00 0.00 N ATOM 0 H ARG A 79 10.808 -0.173 -5.620 1.00 0.00 H new ATOM 0 HA ARG A 79 10.777 -1.763 -3.127 1.00 0.00 H new ATOM 0 HB2 ARG A 79 13.255 -1.055 -4.751 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.197 -2.029 -3.295 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.502 -3.461 -4.874 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.538 -2.766 -6.105 1.00 0.00 H new ATOM 0 HD2 ARG A 79 14.404 -3.566 -4.250 1.00 0.00 H new ATOM 0 HD3 ARG A 79 13.164 -4.781 -4.013 1.00 0.00 H new ATOM 0 HE ARG A 79 13.652 -5.697 -6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 79 15.109 -2.489 -5.795 1.00 0.00 H new ATOM 0 HH12 ARG A 79 16.049 -2.650 -7.282 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.865 -5.889 -8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 79 15.912 -4.564 -8.527 1.00 0.00 H new ATOM 1282 N GLY A 80 11.209 0.329 -1.852 1.00 0.00 N ATOM 1283 CA GLY A 80 11.443 1.565 -1.110 1.00 0.00 C ATOM 1284 C GLY A 80 11.813 1.307 0.338 1.00 0.00 C ATOM 1285 O GLY A 80 12.886 0.778 0.614 1.00 0.00 O ATOM 0 H GLY A 80 10.734 -0.405 -1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.242 2.129 -1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.547 2.184 -1.149 1.00 0.00 H new ATOM 1289 N THR A 81 10.918 1.662 1.263 1.00 0.00 N ATOM 1290 CA THR A 81 11.151 1.439 2.693 1.00 0.00 C ATOM 1291 C THR A 81 9.839 1.422 3.471 1.00 0.00 C ATOM 1292 O THR A 81 8.768 1.663 2.914 1.00 0.00 O ATOM 1293 CB THR A 81 12.079 2.500 3.284 1.00 0.00 C ATOM 1294 OG1 THR A 81 11.722 3.793 2.830 1.00 0.00 O ATOM 1295 CG2 THR A 81 13.536 2.278 2.945 1.00 0.00 C ATOM 0 H THR A 81 10.025 2.105 1.048 1.00 0.00 H new ATOM 0 HA THR A 81 11.631 0.465 2.785 1.00 0.00 H new ATOM 0 HB THR A 81 11.958 2.416 4.364 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.328 4.456 3.222 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.139 3.067 3.396 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.856 1.311 3.332 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.665 2.297 1.863 1.00 0.00 H new ATOM 1303 N TRP A 82 9.936 1.136 4.765 1.00 0.00 N ATOM 1304 CA TRP A 82 8.767 1.085 5.639 1.00 0.00 C ATOM 1305 C TRP A 82 9.178 1.331 7.088 1.00 0.00 C ATOM 1306 O TRP A 82 10.080 0.673 7.604 1.00 0.00 O ATOM 1307 CB TRP A 82 8.084 -0.277 5.521 1.00 0.00 C ATOM 1308 CG TRP A 82 6.623 -0.241 5.844 1.00 0.00 C ATOM 1309 CD1 TRP A 82 5.622 0.243 5.055 1.00 0.00 C ATOM 1310 CD2 TRP A 82 5.998 -0.708 7.044 1.00 0.00 C ATOM 1311 NE1 TRP A 82 4.412 0.112 5.692 1.00 0.00 N ATOM 1312 CE2 TRP A 82 4.617 -0.469 6.915 1.00 0.00 C ATOM 1313 CE3 TRP A 82 6.473 -1.303 8.215 1.00 0.00 C ATOM 1314 CZ2 TRP A 82 3.708 -0.805 7.914 1.00 0.00 C ATOM 1315 CZ3 TRP A 82 5.569 -1.636 9.206 1.00 0.00 C ATOM 1316 CH2 TRP A 82 4.200 -1.385 9.050 1.00 0.00 C ATOM 0 H TRP A 82 10.818 0.934 5.235 1.00 0.00 H new ATOM 0 HA TRP A 82 8.069 1.864 5.332 1.00 0.00 H new ATOM 0 HB2 TRP A 82 8.215 -0.654 4.507 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.579 -0.982 6.189 1.00 0.00 H new ATOM 0 HD1 TRP A 82 5.760 0.668 4.072 1.00 0.00 H new ATOM 0 HE1 TRP A 82 3.509 0.400 5.316 1.00 0.00 H new ATOM 0 HE3 TRP A 82 7.527 -1.499 8.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 2.652 -0.614 7.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.924 -2.097 10.116 1.00 0.00 H new ATOM 0 HH2 TRP A 82 3.519 -1.655 9.843 1.00 0.00 H new ATOM 1327 N SER A 83 8.516 2.280 7.740 1.00 0.00 N ATOM 1328 CA SER A 83 8.823 2.605 9.129 1.00 0.00 C ATOM 1329 C SER A 83 7.569 3.029 9.883 1.00 0.00 C ATOM 1330 O SER A 83 6.650 3.600 9.301 1.00 0.00 O ATOM 1331 CB SER A 83 9.868 3.720 9.194 1.00 0.00 C ATOM 1332 OG SER A 83 10.851 3.443 10.175 1.00 0.00 O ATOM 0 H SER A 83 7.765 2.837 7.331 1.00 0.00 H new ATOM 0 HA SER A 83 9.223 1.709 9.603 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.344 3.833 8.220 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.379 4.667 9.422 1.00 0.00 H new ATOM 0 HG SER A 83 11.508 4.170 10.195 1.00 0.00 H new ATOM 1338 N LEU A 84 7.540 2.753 11.182 1.00 0.00 N ATOM 1339 CA LEU A 84 6.398 3.114 12.011 1.00 0.00 C ATOM 1340 C LEU A 84 6.721 4.328 12.876 1.00 0.00 C ATOM 1341 O LEU A 84 7.783 4.397 13.495 1.00 0.00 O ATOM 1342 CB LEU A 84 5.980 1.934 12.889 1.00 0.00 C ATOM 1343 CG LEU A 84 4.498 1.556 12.802 1.00 0.00 C ATOM 1344 CD1 LEU A 84 4.336 0.144 12.257 1.00 0.00 C ATOM 1345 CD2 LEU A 84 3.832 1.683 14.164 1.00 0.00 C ATOM 0 H LEU A 84 8.293 2.281 11.682 1.00 0.00 H new ATOM 0 HA LEU A 84 5.568 3.371 11.353 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.578 1.065 12.613 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.219 2.169 13.926 1.00 0.00 H new ATOM 0 HG LEU A 84 4.009 2.247 12.115 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.276 -0.106 12.203 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.774 0.086 11.260 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.842 -0.561 12.917 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.780 1.410 14.081 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.325 1.018 14.873 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.914 2.712 14.514 1.00 0.00 H new ATOM 1357 N GLU A 85 5.801 5.284 12.907 1.00 0.00 N ATOM 1358 CA GLU A 85 5.987 6.500 13.690 1.00 0.00 C ATOM 1359 C GLU A 85 4.831 6.707 14.664 1.00 0.00 C ATOM 1360 O GLU A 85 3.800 7.277 14.307 1.00 0.00 O ATOM 1361 CB GLU A 85 6.110 7.709 12.761 1.00 0.00 C ATOM 1362 CG GLU A 85 7.535 7.988 12.310 1.00 0.00 C ATOM 1363 CD GLU A 85 7.888 9.461 12.367 1.00 0.00 C ATOM 1364 OE1 GLU A 85 7.583 10.183 11.395 1.00 0.00 O ATOM 1365 OE2 GLU A 85 8.469 9.893 13.385 1.00 0.00 O ATOM 0 H GLU A 85 4.918 5.241 12.399 1.00 0.00 H new ATOM 0 HA GLU A 85 6.906 6.395 14.267 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.485 7.547 11.883 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.720 8.590 13.271 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.227 7.428 12.939 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.667 7.626 11.290 1.00 0.00 H new ATOM 1372 N GLY A 86 5.011 6.242 15.896 1.00 0.00 N ATOM 1373 CA GLY A 86 3.976 6.387 16.902 1.00 0.00 C ATOM 1374 C GLY A 86 2.726 5.604 16.559 1.00 0.00 C ATOM 1375 O GLY A 86 2.726 4.373 16.603 1.00 0.00 O ATOM 0 H GLY A 86 5.855 5.767 16.215 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.359 6.051 17.865 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.723 7.442 17.010 1.00 0.00 H new ATOM 1379 N ASN A 87 1.660 6.316 16.215 1.00 0.00 N ATOM 1380 CA ASN A 87 0.401 5.675 15.860 1.00 0.00 C ATOM 1381 C ASN A 87 0.194 5.674 14.347 1.00 0.00 C ATOM 1382 O ASN A 87 -0.931 5.540 13.866 1.00 0.00 O ATOM 1383 CB ASN A 87 -0.769 6.383 16.547 1.00 0.00 C ATOM 1384 CG ASN A 87 -0.832 7.859 16.206 1.00 0.00 C ATOM 1385 OD1 ASN A 87 0.055 8.631 16.571 1.00 0.00 O ATOM 1386 ND2 ASN A 87 -1.884 8.259 15.502 1.00 0.00 N ATOM 0 H ASN A 87 1.642 7.335 16.174 1.00 0.00 H new ATOM 0 HA ASN A 87 0.442 4.641 16.202 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -1.703 5.905 16.252 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.678 6.266 17.627 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.981 9.241 15.243 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.596 7.585 15.220 1.00 0.00 H new ATOM 1393 N LYS A 88 1.286 5.824 13.603 1.00 0.00 N ATOM 1394 CA LYS A 88 1.224 5.839 12.147 1.00 0.00 C ATOM 1395 C LYS A 88 2.346 4.995 11.551 1.00 0.00 C ATOM 1396 O LYS A 88 3.371 4.768 12.193 1.00 0.00 O ATOM 1397 CB LYS A 88 1.320 7.275 11.627 1.00 0.00 C ATOM 1398 CG LYS A 88 0.093 8.117 11.935 1.00 0.00 C ATOM 1399 CD LYS A 88 0.225 8.824 13.274 1.00 0.00 C ATOM 1400 CE LYS A 88 1.191 9.995 13.194 1.00 0.00 C ATOM 1401 NZ LYS A 88 0.544 11.212 12.631 1.00 0.00 N ATOM 0 H LYS A 88 2.225 5.937 13.986 1.00 0.00 H new ATOM 0 HA LYS A 88 0.268 5.413 11.842 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.197 7.753 12.064 1.00 0.00 H new ATOM 0 HB3 LYS A 88 1.473 7.252 10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.051 8.855 11.145 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.793 7.482 11.943 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.753 9.180 13.597 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.571 8.116 14.027 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.576 10.216 14.189 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.045 9.719 12.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.236 11.987 12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.199 11.009 11.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.256 11.491 13.235 1.00 0.00 H new ATOM 1415 N LEU A 89 2.147 4.532 10.321 1.00 0.00 N ATOM 1416 CA LEU A 89 3.150 3.715 9.646 1.00 0.00 C ATOM 1417 C LEU A 89 3.444 4.256 8.252 1.00 0.00 C ATOM 1418 O LEU A 89 2.543 4.396 7.426 1.00 0.00 O ATOM 1419 CB LEU A 89 2.684 2.259 9.559 1.00 0.00 C ATOM 1420 CG LEU A 89 1.378 2.037 8.794 1.00 0.00 C ATOM 1421 CD1 LEU A 89 1.657 1.785 7.319 1.00 0.00 C ATOM 1422 CD2 LEU A 89 0.600 0.877 9.399 1.00 0.00 C ATOM 0 H LEU A 89 1.305 4.707 9.773 1.00 0.00 H new ATOM 0 HA LEU A 89 4.069 3.756 10.231 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.469 1.671 9.084 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.564 1.872 10.571 1.00 0.00 H new ATOM 0 HG LEU A 89 0.772 2.939 8.876 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.716 1.629 6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.173 2.646 6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.283 0.899 7.213 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.327 0.732 8.844 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.201 -0.031 9.346 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.368 1.099 10.441 1.00 0.00 H new ATOM 1434 N ILE A 90 4.713 4.563 7.997 1.00 0.00 N ATOM 1435 CA ILE A 90 5.124 5.092 6.703 1.00 0.00 C ATOM 1436 C ILE A 90 5.751 4.015 5.829 1.00 0.00 C ATOM 1437 O ILE A 90 6.558 3.208 6.290 1.00 0.00 O ATOM 1438 CB ILE A 90 6.130 6.255 6.832 1.00 0.00 C ATOM 1439 CG1 ILE A 90 5.904 7.040 8.128 1.00 0.00 C ATOM 1440 CG2 ILE A 90 6.025 7.171 5.619 1.00 0.00 C ATOM 1441 CD1 ILE A 90 4.480 7.513 8.316 1.00 0.00 C ATOM 0 H ILE A 90 5.472 4.454 8.669 1.00 0.00 H new ATOM 0 HA ILE A 90 4.210 5.462 6.238 1.00 0.00 H new ATOM 0 HB ILE A 90 7.136 5.838 6.871 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.183 6.413 8.975 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.568 7.904 8.139 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.738 7.989 5.718 1.00 0.00 H new ATOM 0 HG22 ILE A 90 6.246 6.604 4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.015 7.576 5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.399 8.060 9.255 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.202 8.167 7.490 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.811 6.653 8.339 1.00 0.00 H new ATOM 1453 N GLY A 91 5.380 4.029 4.559 1.00 0.00 N ATOM 1454 CA GLY A 91 5.905 3.080 3.604 1.00 0.00 C ATOM 1455 C GLY A 91 6.258 3.759 2.300 1.00 0.00 C ATOM 1456 O GLY A 91 5.680 4.788 1.960 1.00 0.00 O ATOM 0 H GLY A 91 4.712 4.694 4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.790 2.596 4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.169 2.297 3.422 1.00 0.00 H new ATOM 1460 N LYS A 92 7.214 3.206 1.573 1.00 0.00 N ATOM 1461 CA LYS A 92 7.628 3.796 0.309 1.00 0.00 C ATOM 1462 C LYS A 92 8.186 2.741 -0.635 1.00 0.00 C ATOM 1463 O LYS A 92 8.630 1.677 -0.206 1.00 0.00 O ATOM 1464 CB LYS A 92 8.670 4.895 0.545 1.00 0.00 C ATOM 1465 CG LYS A 92 9.339 4.836 1.911 1.00 0.00 C ATOM 1466 CD LYS A 92 8.590 5.671 2.935 1.00 0.00 C ATOM 1467 CE LYS A 92 9.214 7.045 3.092 1.00 0.00 C ATOM 1468 NZ LYS A 92 10.308 7.048 4.102 1.00 0.00 N ATOM 0 H LYS A 92 7.715 2.356 1.832 1.00 0.00 H new ATOM 0 HA LYS A 92 6.747 4.238 -0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.437 4.825 -0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.190 5.867 0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.387 3.801 2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.366 5.193 1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.549 5.775 2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.591 5.157 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.607 7.377 2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.446 7.760 3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.707 8.005 4.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.929 6.756 5.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.053 6.385 3.809 1.00 0.00 H new ATOM 1482 N PHE A 93 8.163 3.053 -1.924 1.00 0.00 N ATOM 1483 CA PHE A 93 8.672 2.148 -2.946 1.00 0.00 C ATOM 1484 C PHE A 93 9.507 2.908 -3.970 1.00 0.00 C ATOM 1485 O PHE A 93 9.552 4.138 -3.971 1.00 0.00 O ATOM 1486 CB PHE A 93 7.542 1.448 -3.701 1.00 0.00 C ATOM 1487 CG PHE A 93 6.923 0.258 -3.012 1.00 0.00 C ATOM 1488 CD1 PHE A 93 7.652 -0.907 -2.835 1.00 0.00 C ATOM 1489 CD2 PHE A 93 5.601 0.288 -2.587 1.00 0.00 C ATOM 1490 CE1 PHE A 93 7.080 -2.019 -2.246 1.00 0.00 C ATOM 1491 CE2 PHE A 93 5.028 -0.822 -1.991 1.00 0.00 C ATOM 1492 CZ PHE A 93 5.767 -1.977 -1.823 1.00 0.00 C ATOM 0 H PHE A 93 7.795 3.932 -2.288 1.00 0.00 H new ATOM 0 HA PHE A 93 9.278 1.406 -2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.757 2.178 -3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.925 1.124 -4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.681 -0.947 -3.162 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.015 1.185 -2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.660 -2.921 -2.117 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.002 -0.785 -1.657 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.319 -2.845 -1.362 1.00 0.00 H new ATOM 1502 N LYS A 94 10.131 2.155 -4.864 1.00 0.00 N ATOM 1503 CA LYS A 94 10.933 2.724 -5.938 1.00 0.00 C ATOM 1504 C LYS A 94 10.864 1.831 -7.168 1.00 0.00 C ATOM 1505 O LYS A 94 11.022 0.614 -7.073 1.00 0.00 O ATOM 1506 CB LYS A 94 12.390 2.915 -5.521 1.00 0.00 C ATOM 1507 CG LYS A 94 13.099 3.989 -6.314 1.00 0.00 C ATOM 1508 CD LYS A 94 13.427 5.202 -5.462 1.00 0.00 C ATOM 1509 CE LYS A 94 14.909 5.515 -5.514 1.00 0.00 C ATOM 1510 NZ LYS A 94 15.379 6.205 -4.281 1.00 0.00 N ATOM 0 H LYS A 94 10.096 1.136 -4.866 1.00 0.00 H new ATOM 0 HA LYS A 94 10.521 3.706 -6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.428 3.169 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.923 1.972 -5.642 1.00 0.00 H new ATOM 0 HG2 LYS A 94 14.019 3.582 -6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.473 4.294 -7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.857 6.062 -5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 94 13.126 5.019 -4.431 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.470 4.590 -5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.117 6.142 -6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 16.398 6.400 -4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.863 7.101 -4.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.205 5.597 -3.455 1.00 0.00 H new ATOM 1524 N ARG A 95 10.622 2.438 -8.321 1.00 0.00 N ATOM 1525 CA ARG A 95 10.524 1.689 -9.568 1.00 0.00 C ATOM 1526 C ARG A 95 11.898 1.340 -10.112 1.00 0.00 C ATOM 1527 O ARG A 95 12.877 2.047 -9.872 1.00 0.00 O ATOM 1528 CB ARG A 95 9.741 2.477 -10.617 1.00 0.00 C ATOM 1529 CG ARG A 95 8.236 2.441 -10.408 1.00 0.00 C ATOM 1530 CD ARG A 95 7.494 2.271 -11.724 1.00 0.00 C ATOM 1531 NE ARG A 95 7.613 0.913 -12.248 1.00 0.00 N ATOM 1532 CZ ARG A 95 7.342 0.578 -13.508 1.00 0.00 C ATOM 1533 NH1 ARG A 95 6.935 1.498 -14.374 1.00 0.00 N ATOM 1534 NH2 ARG A 95 7.478 -0.681 -13.903 1.00 0.00 N ATOM 0 H ARG A 95 10.490 3.445 -8.420 1.00 0.00 H new ATOM 0 HA ARG A 95 9.992 0.763 -9.349 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.076 3.514 -10.605 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.972 2.079 -11.605 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.980 1.621 -9.737 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.913 3.362 -9.923 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.441 2.513 -11.580 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.887 2.977 -12.455 1.00 0.00 H new ATOM 0 HE ARG A 95 7.922 0.178 -11.612 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.828 2.468 -14.076 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.729 1.235 -15.338 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.790 -1.392 -13.242 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.270 -0.938 -14.868 1.00 0.00 H new ATOM 1548 N THR A 96 11.951 0.239 -10.847 1.00 0.00 N ATOM 1549 CA THR A 96 13.192 -0.237 -11.439 1.00 0.00 C ATOM 1550 C THR A 96 13.554 0.568 -12.688 1.00 0.00 C ATOM 1551 O THR A 96 14.720 0.635 -13.077 1.00 0.00 O ATOM 1552 CB THR A 96 13.057 -1.725 -11.769 1.00 0.00 C ATOM 1553 OG1 THR A 96 14.309 -2.379 -11.665 1.00 0.00 O ATOM 1554 CG2 THR A 96 12.506 -2.004 -13.154 1.00 0.00 C ATOM 0 H THR A 96 11.140 -0.346 -11.049 1.00 0.00 H new ATOM 0 HA THR A 96 14.001 -0.100 -10.721 1.00 0.00 H new ATOM 0 HB THR A 96 12.344 -2.107 -11.038 1.00 0.00 H new ATOM 0 HG1 THR A 96 14.200 -3.329 -11.878 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.441 -3.081 -13.310 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.513 -1.564 -13.246 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.167 -1.568 -13.903 1.00 0.00 H new ATOM 1562 N ASP A 97 12.547 1.175 -13.312 1.00 0.00 N ATOM 1563 CA ASP A 97 12.758 1.975 -14.516 1.00 0.00 C ATOM 1564 C ASP A 97 13.926 2.943 -14.335 1.00 0.00 C ATOM 1565 O ASP A 97 14.684 3.201 -15.269 1.00 0.00 O ATOM 1566 CB ASP A 97 11.483 2.750 -14.862 1.00 0.00 C ATOM 1567 CG ASP A 97 11.642 3.609 -16.101 1.00 0.00 C ATOM 1568 OD1 ASP A 97 12.045 4.783 -15.962 1.00 0.00 O ATOM 1569 OD2 ASP A 97 11.363 3.108 -17.211 1.00 0.00 O ATOM 0 H ASP A 97 11.576 1.128 -13.003 1.00 0.00 H new ATOM 0 HA ASP A 97 13.001 1.298 -15.335 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.665 2.046 -15.015 1.00 0.00 H new ATOM 0 HB3 ASP A 97 11.206 3.383 -14.019 1.00 0.00 H new ATOM 1574 N ASN A 98 14.062 3.472 -13.124 1.00 0.00 N ATOM 1575 CA ASN A 98 15.134 4.409 -12.808 1.00 0.00 C ATOM 1576 C ASN A 98 15.030 4.870 -11.359 1.00 0.00 C ATOM 1577 O ASN A 98 15.249 6.041 -11.049 1.00 0.00 O ATOM 1578 CB ASN A 98 15.081 5.618 -13.746 1.00 0.00 C ATOM 1579 CG ASN A 98 16.462 6.098 -14.149 1.00 0.00 C ATOM 1580 OD1 ASN A 98 16.925 7.144 -13.695 1.00 0.00 O ATOM 1581 ND2 ASN A 98 17.127 5.333 -15.008 1.00 0.00 N ATOM 0 H ASN A 98 13.440 3.267 -12.342 1.00 0.00 H new ATOM 0 HA ASN A 98 16.087 3.898 -12.946 1.00 0.00 H new ATOM 0 HB2 ASN A 98 14.515 5.356 -14.640 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.545 6.431 -13.256 1.00 0.00 H new ATOM 0 HD21 ASN A 98 18.060 5.605 -15.317 1.00 0.00 H new ATOM 0 HD22 ASN A 98 16.704 4.474 -15.359 1.00 0.00 H new ATOM 1588 N GLY A 99 14.686 3.938 -10.475 1.00 0.00 N ATOM 1589 CA GLY A 99 14.546 4.255 -9.067 1.00 0.00 C ATOM 1590 C GLY A 99 13.688 5.481 -8.829 1.00 0.00 C ATOM 1591 O GLY A 99 14.172 6.502 -8.341 1.00 0.00 O ATOM 0 H GLY A 99 14.501 2.963 -10.712 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.107 3.403 -8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.533 4.417 -8.635 1.00 0.00 H new ATOM 1595 N ASN A 100 12.408 5.376 -9.167 1.00 0.00 N ATOM 1596 CA ASN A 100 11.478 6.482 -8.977 1.00 0.00 C ATOM 1597 C ASN A 100 10.958 6.492 -7.541 1.00 0.00 C ATOM 1598 O ASN A 100 10.615 5.453 -6.989 1.00 0.00 O ATOM 1599 CB ASN A 100 10.320 6.383 -9.968 1.00 0.00 C ATOM 1600 CG ASN A 100 10.711 6.837 -11.361 1.00 0.00 C ATOM 1601 OD1 ASN A 100 11.063 7.998 -11.572 1.00 0.00 O ATOM 1602 ND2 ASN A 100 10.651 5.921 -12.320 1.00 0.00 N ATOM 0 H ASN A 100 11.991 4.538 -9.573 1.00 0.00 H new ATOM 0 HA ASN A 100 12.005 7.418 -9.161 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.968 5.352 -10.010 1.00 0.00 H new ATOM 0 HB3 ASN A 100 9.487 6.989 -9.611 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.902 6.168 -13.277 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.354 4.971 -12.100 1.00 0.00 H new ATOM 1609 N GLU A 101 10.925 7.672 -6.941 1.00 0.00 N ATOM 1610 CA GLU A 101 10.479 7.829 -5.564 1.00 0.00 C ATOM 1611 C GLU A 101 8.985 7.596 -5.419 1.00 0.00 C ATOM 1612 O GLU A 101 8.182 8.075 -6.220 1.00 0.00 O ATOM 1613 CB GLU A 101 10.842 9.221 -5.050 1.00 0.00 C ATOM 1614 CG GLU A 101 12.318 9.542 -5.185 1.00 0.00 C ATOM 1615 CD GLU A 101 12.627 11.002 -4.921 1.00 0.00 C ATOM 1616 OE1 GLU A 101 12.731 11.382 -3.736 1.00 0.00 O ATOM 1617 OE2 GLU A 101 12.764 11.766 -5.900 1.00 0.00 O ATOM 0 H GLU A 101 11.205 8.543 -7.391 1.00 0.00 H new ATOM 0 HA GLU A 101 10.990 7.074 -4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.263 9.965 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.554 9.301 -4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.885 8.924 -4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.652 9.280 -6.189 1.00 0.00 H new ATOM 1624 N LEU A 102 8.632 6.856 -4.379 1.00 0.00 N ATOM 1625 CA LEU A 102 7.244 6.538 -4.087 1.00 0.00 C ATOM 1626 C LEU A 102 7.017 6.547 -2.576 1.00 0.00 C ATOM 1627 O LEU A 102 7.544 5.699 -1.856 1.00 0.00 O ATOM 1628 CB LEU A 102 6.904 5.176 -4.686 1.00 0.00 C ATOM 1629 CG LEU A 102 5.408 4.875 -4.841 1.00 0.00 C ATOM 1630 CD1 LEU A 102 5.098 4.369 -6.242 1.00 0.00 C ATOM 1631 CD2 LEU A 102 4.960 3.865 -3.796 1.00 0.00 C ATOM 0 H LEU A 102 9.298 6.460 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 102 6.589 7.288 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.375 5.103 -5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.349 4.402 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 102 4.856 5.802 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.031 4.163 -6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.380 5.127 -6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.660 3.455 -6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 102 3.896 3.662 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.523 2.940 -3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.139 4.269 -2.799 1.00 0.00 H new ATOM 1643 N ASN A 103 6.257 7.530 -2.098 1.00 0.00 N ATOM 1644 CA ASN A 103 5.994 7.670 -0.670 1.00 0.00 C ATOM 1645 C ASN A 103 4.590 7.214 -0.295 1.00 0.00 C ATOM 1646 O ASN A 103 3.652 7.314 -1.086 1.00 0.00 O ATOM 1647 CB ASN A 103 6.184 9.126 -0.239 1.00 0.00 C ATOM 1648 CG ASN A 103 7.414 9.762 -0.858 1.00 0.00 C ATOM 1649 OD1 ASN A 103 7.402 10.158 -2.024 1.00 0.00 O ATOM 1650 ND2 ASN A 103 8.484 9.863 -0.079 1.00 0.00 N ATOM 0 H ASN A 103 5.813 8.241 -2.680 1.00 0.00 H new ATOM 0 HA ASN A 103 6.706 7.029 -0.150 1.00 0.00 H new ATOM 0 HB2 ASN A 103 5.302 9.702 -0.519 1.00 0.00 H new ATOM 0 HB3 ASN A 103 6.263 9.172 0.847 1.00 0.00 H new ATOM 0 HD21 ASN A 103 9.341 10.282 -0.441 1.00 0.00 H new ATOM 0 HD22 ASN A 103 8.450 9.522 0.882 1.00 0.00 H new ATOM 1657 N THR A 104 4.462 6.732 0.935 1.00 0.00 N ATOM 1658 CA THR A 104 3.183 6.272 1.464 1.00 0.00 C ATOM 1659 C THR A 104 3.095 6.562 2.958 1.00 0.00 C ATOM 1660 O THR A 104 3.881 6.040 3.747 1.00 0.00 O ATOM 1661 CB THR A 104 2.981 4.773 1.200 1.00 0.00 C ATOM 1662 OG1 THR A 104 3.472 3.995 2.279 1.00 0.00 O ATOM 1663 CG2 THR A 104 3.656 4.282 -0.065 1.00 0.00 C ATOM 0 H THR A 104 5.238 6.649 1.592 1.00 0.00 H new ATOM 0 HA THR A 104 2.390 6.815 0.950 1.00 0.00 H new ATOM 0 HB THR A 104 1.904 4.652 1.085 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.331 3.044 2.087 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.470 3.215 -0.186 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.255 4.820 -0.924 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.730 4.458 0.004 1.00 0.00 H new ATOM 1671 N VAL A 105 2.138 7.402 3.338 1.00 0.00 N ATOM 1672 CA VAL A 105 1.955 7.766 4.737 1.00 0.00 C ATOM 1673 C VAL A 105 0.573 7.366 5.239 1.00 0.00 C ATOM 1674 O VAL A 105 -0.445 7.745 4.659 1.00 0.00 O ATOM 1675 CB VAL A 105 2.144 9.280 4.949 1.00 0.00 C ATOM 1676 CG1 VAL A 105 2.136 9.619 6.431 1.00 0.00 C ATOM 1677 CG2 VAL A 105 3.432 9.754 4.293 1.00 0.00 C ATOM 0 H VAL A 105 1.478 7.843 2.697 1.00 0.00 H new ATOM 0 HA VAL A 105 2.712 7.225 5.304 1.00 0.00 H new ATOM 0 HB VAL A 105 1.310 9.800 4.478 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.271 10.693 6.559 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.184 9.318 6.868 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.948 9.089 6.930 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.549 10.826 4.453 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.279 9.227 4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.392 9.549 3.223 1.00 0.00 H new ATOM 1687 N ARG A 106 0.545 6.601 6.325 1.00 0.00 N ATOM 1688 CA ARG A 106 -0.712 6.154 6.912 1.00 0.00 C ATOM 1689 C ARG A 106 -0.986 6.888 8.219 1.00 0.00 C ATOM 1690 O ARG A 106 -0.242 6.746 9.190 1.00 0.00 O ATOM 1691 CB ARG A 106 -0.674 4.645 7.160 1.00 0.00 C ATOM 1692 CG ARG A 106 -0.675 3.817 5.886 1.00 0.00 C ATOM 1693 CD ARG A 106 -1.071 2.375 6.158 1.00 0.00 C ATOM 1694 NE ARG A 106 -0.392 1.442 5.262 1.00 0.00 N ATOM 1695 CZ ARG A 106 -0.693 0.149 5.173 1.00 0.00 C ATOM 1696 NH1 ARG A 106 -1.659 -0.369 5.922 1.00 0.00 N ATOM 1697 NH2 ARG A 106 -0.026 -0.630 4.332 1.00 0.00 N ATOM 0 H ARG A 106 1.378 6.278 6.816 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.516 6.379 6.211 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.217 4.403 7.739 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.535 4.364 7.767 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.366 4.256 5.167 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.316 3.844 5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.834 2.123 7.191 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.150 2.268 6.043 1.00 0.00 H new ATOM 0 HE ARG A 106 0.356 1.803 4.670 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.176 0.225 6.571 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.885 -1.361 5.849 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.717 -0.238 3.754 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.256 -1.621 4.263 1.00 0.00 H new ATOM 1711 N GLU A 107 -2.057 7.674 8.236 1.00 0.00 N ATOM 1712 CA GLU A 107 -2.431 8.434 9.424 1.00 0.00 C ATOM 1713 C GLU A 107 -3.759 7.941 9.986 1.00 0.00 C ATOM 1714 O GLU A 107 -4.665 7.580 9.235 1.00 0.00 O ATOM 1715 CB GLU A 107 -2.527 9.926 9.097 1.00 0.00 C ATOM 1716 CG GLU A 107 -1.447 10.415 8.144 1.00 0.00 C ATOM 1717 CD GLU A 107 -0.710 11.631 8.669 1.00 0.00 C ATOM 1718 OE1 GLU A 107 -1.349 12.694 8.818 1.00 0.00 O ATOM 1719 OE2 GLU A 107 0.506 11.521 8.933 1.00 0.00 O ATOM 0 H GLU A 107 -2.682 7.802 7.440 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.657 8.285 10.177 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -3.504 10.131 8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -2.466 10.496 10.024 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.733 9.611 7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.899 10.657 7.182 1.00 0.00 H new ATOM 1726 N ILE A 108 -3.872 7.931 11.309 1.00 0.00 N ATOM 1727 CA ILE A 108 -5.094 7.485 11.963 1.00 0.00 C ATOM 1728 C ILE A 108 -6.063 8.644 12.148 1.00 0.00 C ATOM 1729 O ILE A 108 -5.984 9.382 13.130 1.00 0.00 O ATOM 1730 CB ILE A 108 -4.805 6.850 13.338 1.00 0.00 C ATOM 1731 CG1 ILE A 108 -3.683 5.812 13.226 1.00 0.00 C ATOM 1732 CG2 ILE A 108 -6.070 6.222 13.910 1.00 0.00 C ATOM 1733 CD1 ILE A 108 -4.114 4.508 12.587 1.00 0.00 C ATOM 0 H ILE A 108 -3.134 8.226 11.948 1.00 0.00 H new ATOM 0 HA ILE A 108 -5.542 6.732 11.315 1.00 0.00 H new ATOM 0 HB ILE A 108 -4.475 7.634 14.020 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.865 6.237 12.644 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.292 5.605 14.222 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -5.849 5.778 14.881 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -6.836 6.989 14.027 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.431 5.449 13.232 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -3.265 3.826 12.544 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -4.911 4.058 13.180 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -4.477 4.700 11.577 1.00 0.00 H new ATOM 1745 N ILE A 109 -6.977 8.798 11.199 1.00 0.00 N ATOM 1746 CA ILE A 109 -7.962 9.864 11.256 1.00 0.00 C ATOM 1747 C ILE A 109 -9.170 9.430 12.069 1.00 0.00 C ATOM 1748 O ILE A 109 -10.304 9.403 11.585 1.00 0.00 O ATOM 1749 CB ILE A 109 -8.403 10.284 9.843 1.00 0.00 C ATOM 1750 CG1 ILE A 109 -9.070 11.658 9.877 1.00 0.00 C ATOM 1751 CG2 ILE A 109 -9.336 9.237 9.255 1.00 0.00 C ATOM 1752 CD1 ILE A 109 -8.240 12.714 10.575 1.00 0.00 C ATOM 0 H ILE A 109 -7.055 8.195 10.380 1.00 0.00 H new ATOM 0 HA ILE A 109 -7.498 10.722 11.742 1.00 0.00 H new ATOM 0 HB ILE A 109 -7.523 10.356 9.204 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.271 11.981 8.856 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -10.033 11.573 10.380 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.643 9.543 8.255 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.819 8.279 9.198 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.217 9.137 9.890 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.774 13.664 10.562 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.061 12.413 11.607 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -7.286 12.827 10.059 1.00 0.00 H new ATOM 1764 N GLY A 110 -8.916 9.076 13.305 1.00 0.00 N ATOM 1765 CA GLY A 110 -9.979 8.632 14.160 1.00 0.00 C ATOM 1766 C GLY A 110 -10.255 7.160 13.989 1.00 0.00 C ATOM 1767 O GLY A 110 -9.340 6.337 14.027 1.00 0.00 O ATOM 0 H GLY A 110 -7.991 9.088 13.734 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.719 8.835 15.199 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -10.883 9.200 13.941 1.00 0.00 H new ATOM 1771 N ASP A 111 -11.516 6.830 13.783 1.00 0.00 N ATOM 1772 CA ASP A 111 -11.915 5.445 13.584 1.00 0.00 C ATOM 1773 C ASP A 111 -11.548 4.970 12.177 1.00 0.00 C ATOM 1774 O ASP A 111 -11.732 3.799 11.844 1.00 0.00 O ATOM 1775 CB ASP A 111 -13.418 5.286 13.814 1.00 0.00 C ATOM 1776 CG ASP A 111 -13.798 3.869 14.199 1.00 0.00 C ATOM 1777 OD1 ASP A 111 -13.513 2.944 13.410 1.00 0.00 O ATOM 1778 OD2 ASP A 111 -14.379 3.686 15.289 1.00 0.00 O ATOM 0 H ASP A 111 -12.284 7.501 13.749 1.00 0.00 H new ATOM 0 HA ASP A 111 -11.379 4.831 14.307 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.737 5.971 14.600 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.953 5.569 12.908 1.00 0.00 H new ATOM 1783 N GLU A 112 -11.033 5.883 11.349 1.00 0.00 N ATOM 1784 CA GLU A 112 -10.651 5.543 9.984 1.00 0.00 C ATOM 1785 C GLU A 112 -9.199 5.909 9.713 1.00 0.00 C ATOM 1786 O GLU A 112 -8.536 6.529 10.544 1.00 0.00 O ATOM 1787 CB GLU A 112 -11.554 6.271 8.990 1.00 0.00 C ATOM 1788 CG GLU A 112 -13.030 6.019 9.224 1.00 0.00 C ATOM 1789 CD GLU A 112 -13.909 6.686 8.184 1.00 0.00 C ATOM 1790 OE1 GLU A 112 -13.488 6.762 7.011 1.00 0.00 O ATOM 1791 OE2 GLU A 112 -15.020 7.131 8.543 1.00 0.00 O ATOM 0 H GLU A 112 -10.873 6.858 11.602 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.765 4.466 9.862 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.361 7.342 9.052 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.295 5.958 7.978 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -13.217 4.945 9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.304 6.384 10.214 1.00 0.00 H new ATOM 1798 N LEU A 113 -8.715 5.527 8.538 1.00 0.00 N ATOM 1799 CA LEU A 113 -7.342 5.828 8.146 1.00 0.00 C ATOM 1800 C LEU A 113 -7.306 6.649 6.864 1.00 0.00 C ATOM 1801 O LEU A 113 -7.925 6.286 5.864 1.00 0.00 O ATOM 1802 CB LEU A 113 -6.529 4.546 7.951 1.00 0.00 C ATOM 1803 CG LEU A 113 -5.019 4.714 8.134 1.00 0.00 C ATOM 1804 CD1 LEU A 113 -4.597 4.277 9.526 1.00 0.00 C ATOM 1805 CD2 LEU A 113 -4.260 3.935 7.069 1.00 0.00 C ATOM 0 H LEU A 113 -9.250 5.009 7.841 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.897 6.410 8.953 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.886 3.795 8.656 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.719 4.160 6.950 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.775 5.770 8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.520 4.404 9.636 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.112 4.885 10.270 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.855 3.228 9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -3.188 4.067 7.216 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.509 2.877 7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.539 4.303 6.081 1.00 0.00 H new ATOM 1817 N VAL A 114 -6.555 7.740 6.892 1.00 0.00 N ATOM 1818 CA VAL A 114 -6.411 8.595 5.721 1.00 0.00 C ATOM 1819 C VAL A 114 -5.038 8.378 5.101 1.00 0.00 C ATOM 1820 O VAL A 114 -4.020 8.782 5.662 1.00 0.00 O ATOM 1821 CB VAL A 114 -6.589 10.086 6.076 1.00 0.00 C ATOM 1822 CG1 VAL A 114 -5.588 10.511 7.142 1.00 0.00 C ATOM 1823 CG2 VAL A 114 -6.458 10.954 4.833 1.00 0.00 C ATOM 0 H VAL A 114 -6.036 8.055 7.712 1.00 0.00 H new ATOM 0 HA VAL A 114 -7.192 8.326 5.010 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.592 10.222 6.481 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -5.732 11.566 7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.740 9.915 8.042 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -4.575 10.357 6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -6.587 12.002 5.105 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -5.471 10.812 4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -7.222 10.671 4.109 1.00 0.00 H new ATOM 1833 N GLN A 115 -5.014 7.708 3.957 1.00 0.00 N ATOM 1834 CA GLN A 115 -3.763 7.403 3.278 1.00 0.00 C ATOM 1835 C GLN A 115 -3.428 8.427 2.201 1.00 0.00 C ATOM 1836 O GLN A 115 -4.302 8.888 1.468 1.00 0.00 O ATOM 1837 CB GLN A 115 -3.831 6.003 2.667 1.00 0.00 C ATOM 1838 CG GLN A 115 -2.857 5.022 3.295 1.00 0.00 C ATOM 1839 CD GLN A 115 -1.414 5.325 2.940 1.00 0.00 C ATOM 1840 OE1 GLN A 115 -1.066 6.461 2.622 1.00 0.00 O ATOM 1841 NE2 GLN A 115 -0.566 4.304 2.992 1.00 0.00 N ATOM 0 H GLN A 115 -5.848 7.365 3.480 1.00 0.00 H new ATOM 0 HA GLN A 115 -2.968 7.442 4.022 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -4.844 5.617 2.775 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -3.628 6.071 1.598 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.973 5.044 4.379 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -3.103 4.012 2.968 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -0.899 3.378 3.261 1.00 0.00 H new ATOM 0 HE22 GLN A 115 0.418 4.446 2.763 1.00 0.00 H new ATOM 1850 N THR A 116 -2.145 8.761 2.112 1.00 0.00 N ATOM 1851 CA THR A 116 -1.649 9.713 1.125 1.00 0.00 C ATOM 1852 C THR A 116 -0.339 9.207 0.534 1.00 0.00 C ATOM 1853 O THR A 116 0.689 9.180 1.211 1.00 0.00 O ATOM 1854 CB THR A 116 -1.445 11.088 1.762 1.00 0.00 C ATOM 1855 OG1 THR A 116 -2.194 11.203 2.959 1.00 0.00 O ATOM 1856 CG2 THR A 116 -1.847 12.232 0.857 1.00 0.00 C ATOM 0 H THR A 116 -1.421 8.380 2.721 1.00 0.00 H new ATOM 0 HA THR A 116 -2.387 9.810 0.328 1.00 0.00 H new ATOM 0 HB THR A 116 -0.375 11.159 1.958 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.049 12.089 3.352 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.677 13.179 1.370 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.251 12.201 -0.055 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.903 12.141 0.603 1.00 0.00 H new ATOM 1864 N TYR A 117 -0.382 8.801 -0.729 1.00 0.00 N ATOM 1865 CA TYR A 117 0.798 8.291 -1.406 1.00 0.00 C ATOM 1866 C TYR A 117 1.270 9.284 -2.457 1.00 0.00 C ATOM 1867 O TYR A 117 0.494 10.121 -2.913 1.00 0.00 O ATOM 1868 CB TYR A 117 0.488 6.955 -2.088 1.00 0.00 C ATOM 1869 CG TYR A 117 -0.324 5.980 -1.259 1.00 0.00 C ATOM 1870 CD1 TYR A 117 -1.696 6.141 -1.088 1.00 0.00 C ATOM 1871 CD2 TYR A 117 0.282 4.879 -0.669 1.00 0.00 C ATOM 1872 CE1 TYR A 117 -2.432 5.237 -0.349 1.00 0.00 C ATOM 1873 CE2 TYR A 117 -0.450 3.969 0.068 1.00 0.00 C ATOM 1874 CZ TYR A 117 -1.806 4.153 0.225 1.00 0.00 C ATOM 1875 OH TYR A 117 -2.539 3.247 0.955 1.00 0.00 O ATOM 0 H TYR A 117 -1.224 8.816 -1.304 1.00 0.00 H new ATOM 0 HA TYR A 117 1.580 8.145 -0.661 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -0.050 7.155 -3.015 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.429 6.478 -2.362 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -2.192 6.987 -1.541 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.345 4.732 -0.789 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -3.495 5.379 -0.221 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.038 3.118 0.519 1.00 0.00 H new ATOM 0 HH TYR A 117 -2.450 2.357 0.555 1.00 0.00 H new ATOM 1885 N VAL A 118 2.531 9.172 -2.862 1.00 0.00 N ATOM 1886 CA VAL A 118 3.077 10.045 -3.886 1.00 0.00 C ATOM 1887 C VAL A 118 4.196 9.346 -4.659 1.00 0.00 C ATOM 1888 O VAL A 118 5.013 8.637 -4.075 1.00 0.00 O ATOM 1889 CB VAL A 118 3.607 11.369 -3.303 1.00 0.00 C ATOM 1890 CG1 VAL A 118 4.809 11.129 -2.400 1.00 0.00 C ATOM 1891 CG2 VAL A 118 3.960 12.328 -4.431 1.00 0.00 C ATOM 0 H VAL A 118 3.190 8.485 -2.495 1.00 0.00 H new ATOM 0 HA VAL A 118 2.256 10.278 -4.564 1.00 0.00 H new ATOM 0 HB VAL A 118 2.822 11.817 -2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.162 12.081 -2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.520 10.477 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.607 10.657 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 118 4.334 13.262 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.728 11.881 -5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.071 12.529 -5.029 1.00 0.00 H new ATOM 1901 N TYR A 119 4.227 9.549 -5.973 1.00 0.00 N ATOM 1902 CA TYR A 119 5.246 8.938 -6.820 1.00 0.00 C ATOM 1903 C TYR A 119 5.454 9.761 -8.090 1.00 0.00 C ATOM 1904 O TYR A 119 4.555 9.876 -8.921 1.00 0.00 O ATOM 1905 CB TYR A 119 4.855 7.494 -7.150 1.00 0.00 C ATOM 1906 CG TYR A 119 5.655 6.867 -8.267 1.00 0.00 C ATOM 1907 CD1 TYR A 119 6.863 6.242 -8.011 1.00 0.00 C ATOM 1908 CD2 TYR A 119 5.192 6.889 -9.572 1.00 0.00 C ATOM 1909 CE1 TYR A 119 7.592 5.655 -9.024 1.00 0.00 C ATOM 1910 CE2 TYR A 119 5.914 6.303 -10.595 1.00 0.00 C ATOM 1911 CZ TYR A 119 7.114 5.687 -10.315 1.00 0.00 C ATOM 1912 OH TYR A 119 7.838 5.104 -11.330 1.00 0.00 O ATOM 0 H TYR A 119 3.557 10.133 -6.475 1.00 0.00 H new ATOM 0 HA TYR A 119 6.193 8.921 -6.280 1.00 0.00 H new ATOM 0 HB2 TYR A 119 4.970 6.886 -6.253 1.00 0.00 H new ATOM 0 HB3 TYR A 119 3.799 7.470 -7.419 1.00 0.00 H new ATOM 0 HD1 TYR A 119 7.242 6.213 -7.000 1.00 0.00 H new ATOM 0 HD2 TYR A 119 4.252 7.372 -9.794 1.00 0.00 H new ATOM 0 HE1 TYR A 119 8.533 5.173 -8.806 1.00 0.00 H new ATOM 0 HE2 TYR A 119 5.540 6.328 -11.608 1.00 0.00 H new ATOM 0 HH TYR A 119 7.360 5.215 -12.178 1.00 0.00 H new ATOM 1922 N GLU A 120 6.654 10.337 -8.217 1.00 0.00 N ATOM 1923 CA GLU A 120 7.025 11.173 -9.365 1.00 0.00 C ATOM 1924 C GLU A 120 5.814 11.824 -10.023 1.00 0.00 C ATOM 1925 O GLU A 120 5.222 11.265 -10.945 1.00 0.00 O ATOM 1926 CB GLU A 120 7.785 10.347 -10.399 1.00 0.00 C ATOM 1927 CG GLU A 120 8.632 9.252 -9.785 1.00 0.00 C ATOM 1928 CD GLU A 120 9.564 9.767 -8.705 1.00 0.00 C ATOM 1929 OE1 GLU A 120 9.104 9.943 -7.557 1.00 0.00 O ATOM 1930 OE2 GLU A 120 10.754 9.996 -9.007 1.00 0.00 O ATOM 0 H GLU A 120 7.397 10.237 -7.526 1.00 0.00 H new ATOM 0 HA GLU A 120 7.665 11.969 -8.984 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.072 9.900 -11.092 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.425 11.008 -10.983 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.980 8.488 -9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.220 8.772 -10.567 1.00 0.00 H new ATOM 1937 N GLY A 121 5.456 13.012 -9.550 1.00 0.00 N ATOM 1938 CA GLY A 121 4.325 13.720 -10.115 1.00 0.00 C ATOM 1939 C GLY A 121 2.983 13.121 -9.744 1.00 0.00 C ATOM 1940 O GLY A 121 1.938 13.683 -10.072 1.00 0.00 O ATOM 0 H GLY A 121 5.928 13.496 -8.787 1.00 0.00 H new ATOM 0 HA2 GLY A 121 4.354 14.757 -9.782 1.00 0.00 H new ATOM 0 HA3 GLY A 121 4.420 13.731 -11.201 1.00 0.00 H new ATOM 1944 N VAL A 122 3.002 11.975 -9.080 1.00 0.00 N ATOM 1945 CA VAL A 122 1.774 11.303 -8.692 1.00 0.00 C ATOM 1946 C VAL A 122 1.529 11.402 -7.196 1.00 0.00 C ATOM 1947 O VAL A 122 2.460 11.347 -6.400 1.00 0.00 O ATOM 1948 CB VAL A 122 1.821 9.820 -9.095 1.00 0.00 C ATOM 1949 CG1 VAL A 122 0.463 9.166 -8.951 1.00 0.00 C ATOM 1950 CG2 VAL A 122 2.326 9.678 -10.514 1.00 0.00 C ATOM 0 H VAL A 122 3.855 11.492 -8.799 1.00 0.00 H new ATOM 0 HA VAL A 122 0.957 11.802 -9.213 1.00 0.00 H new ATOM 0 HB VAL A 122 2.510 9.311 -8.421 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.531 8.118 -9.244 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.135 9.232 -7.914 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.256 9.676 -9.592 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.354 8.623 -10.786 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.659 10.210 -11.192 1.00 0.00 H new ATOM 0 HG23 VAL A 122 3.329 10.098 -10.587 1.00 0.00 H new ATOM 1960 N GLU A 123 0.265 11.534 -6.824 1.00 0.00 N ATOM 1961 CA GLU A 123 -0.118 11.619 -5.430 1.00 0.00 C ATOM 1962 C GLU A 123 -1.558 11.161 -5.265 1.00 0.00 C ATOM 1963 O GLU A 123 -2.483 11.787 -5.781 1.00 0.00 O ATOM 1964 CB GLU A 123 0.056 13.041 -4.905 1.00 0.00 C ATOM 1965 CG GLU A 123 0.517 13.084 -3.461 1.00 0.00 C ATOM 1966 CD GLU A 123 1.380 14.293 -3.156 1.00 0.00 C ATOM 1967 OE1 GLU A 123 1.115 15.371 -3.727 1.00 0.00 O ATOM 1968 OE2 GLU A 123 2.321 14.161 -2.345 1.00 0.00 O ATOM 0 H GLU A 123 -0.517 11.585 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 123 0.532 10.966 -4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.779 13.567 -5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -0.890 13.575 -4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.354 13.091 -2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.078 12.177 -3.236 1.00 0.00 H new ATOM 1975 N ALA A 124 -1.740 10.049 -4.566 1.00 0.00 N ATOM 1976 CA ALA A 124 -3.066 9.493 -4.362 1.00 0.00 C ATOM 1977 C ALA A 124 -3.420 9.405 -2.886 1.00 0.00 C ATOM 1978 O ALA A 124 -2.581 9.080 -2.053 1.00 0.00 O ATOM 1979 CB ALA A 124 -3.159 8.117 -5.014 1.00 0.00 C ATOM 0 H ALA A 124 -0.986 9.516 -4.132 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.786 10.164 -4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.156 7.706 -4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -2.968 8.207 -6.083 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.419 7.452 -4.568 1.00 0.00 H new ATOM 1985 N LYS A 125 -4.680 9.678 -2.577 1.00 0.00 N ATOM 1986 CA LYS A 125 -5.163 9.611 -1.207 1.00 0.00 C ATOM 1987 C LYS A 125 -6.078 8.402 -1.069 1.00 0.00 C ATOM 1988 O LYS A 125 -6.501 7.832 -2.075 1.00 0.00 O ATOM 1989 CB LYS A 125 -5.906 10.895 -0.829 1.00 0.00 C ATOM 1990 CG LYS A 125 -5.151 11.762 0.167 1.00 0.00 C ATOM 1991 CD LYS A 125 -4.889 13.154 -0.387 1.00 0.00 C ATOM 1992 CE LYS A 125 -4.049 13.101 -1.652 1.00 0.00 C ATOM 1993 NZ LYS A 125 -3.246 14.341 -1.838 1.00 0.00 N ATOM 0 H LYS A 125 -5.388 9.949 -3.260 1.00 0.00 H new ATOM 0 HA LYS A 125 -4.316 9.509 -0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -6.096 11.475 -1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -6.877 10.633 -0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -5.725 11.840 1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -4.203 11.286 0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -5.838 13.647 -0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -4.379 13.756 0.365 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -3.382 12.240 -1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -4.700 12.957 -2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -2.687 14.265 -2.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -3.883 15.160 -1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -2.606 14.465 -1.028 1.00 0.00 H new ATOM 2007 N ARG A 126 -6.369 7.987 0.157 1.00 0.00 N ATOM 2008 CA ARG A 126 -7.215 6.817 0.346 1.00 0.00 C ATOM 2009 C ARG A 126 -7.853 6.765 1.734 1.00 0.00 C ATOM 2010 O ARG A 126 -7.161 6.772 2.751 1.00 0.00 O ATOM 2011 CB ARG A 126 -6.383 5.551 0.101 1.00 0.00 C ATOM 2012 CG ARG A 126 -7.110 4.255 0.431 1.00 0.00 C ATOM 2013 CD ARG A 126 -6.793 3.776 1.839 1.00 0.00 C ATOM 2014 NE ARG A 126 -5.450 3.207 1.940 1.00 0.00 N ATOM 2015 CZ ARG A 126 -5.098 2.286 2.837 1.00 0.00 C ATOM 2016 NH1 ARG A 126 -5.991 1.805 3.693 1.00 0.00 N ATOM 2017 NH2 ARG A 126 -3.852 1.837 2.873 1.00 0.00 N ATOM 0 H ARG A 126 -6.041 8.430 1.015 1.00 0.00 H new ATOM 0 HA ARG A 126 -8.033 6.881 -0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -6.077 5.527 -0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -5.473 5.606 0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -8.185 4.405 0.331 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -6.827 3.486 -0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -6.885 4.610 2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -7.526 3.028 2.140 1.00 0.00 H new ATOM 0 HE ARG A 126 -4.740 3.534 1.285 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -6.954 2.140 3.667 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -5.714 1.100 4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.161 2.196 2.214 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.584 1.132 3.560 1.00 0.00 H new ATOM 2031 N ILE A 127 -9.182 6.669 1.756 1.00 0.00 N ATOM 2032 CA ILE A 127 -9.924 6.561 3.005 1.00 0.00 C ATOM 2033 C ILE A 127 -9.972 5.101 3.421 1.00 0.00 C ATOM 2034 O ILE A 127 -9.957 4.210 2.568 1.00 0.00 O ATOM 2035 CB ILE A 127 -11.370 7.083 2.890 1.00 0.00 C ATOM 2036 CG1 ILE A 127 -11.444 8.302 1.967 1.00 0.00 C ATOM 2037 CG2 ILE A 127 -11.914 7.417 4.271 1.00 0.00 C ATOM 2038 CD1 ILE A 127 -10.755 9.527 2.512 1.00 0.00 C ATOM 0 H ILE A 127 -9.765 6.664 0.919 1.00 0.00 H new ATOM 0 HA ILE A 127 -9.408 7.176 3.743 1.00 0.00 H new ATOM 0 HB ILE A 127 -11.986 6.299 2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -10.999 8.045 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -12.491 8.540 1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -12.936 7.785 4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -11.905 6.521 4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -11.292 8.184 4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -10.852 10.346 1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -11.215 9.812 3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -9.699 9.309 2.673 1.00 0.00 H new ATOM 2050 N PHE A 128 -10.002 4.844 4.719 1.00 0.00 N ATOM 2051 CA PHE A 128 -10.013 3.472 5.197 1.00 0.00 C ATOM 2052 C PHE A 128 -11.110 3.203 6.225 1.00 0.00 C ATOM 2053 O PHE A 128 -11.538 4.093 6.958 1.00 0.00 O ATOM 2054 CB PHE A 128 -8.655 3.144 5.808 1.00 0.00 C ATOM 2055 CG PHE A 128 -8.655 1.879 6.605 1.00 0.00 C ATOM 2056 CD1 PHE A 128 -8.688 0.652 5.973 1.00 0.00 C ATOM 2057 CD2 PHE A 128 -8.645 1.918 7.988 1.00 0.00 C ATOM 2058 CE1 PHE A 128 -8.712 -0.506 6.698 1.00 0.00 C ATOM 2059 CE2 PHE A 128 -8.661 0.748 8.723 1.00 0.00 C ATOM 2060 CZ PHE A 128 -8.696 -0.466 8.075 1.00 0.00 C ATOM 0 H PHE A 128 -10.019 5.555 5.450 1.00 0.00 H new ATOM 0 HA PHE A 128 -10.221 2.834 4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.916 3.063 5.011 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.344 3.969 6.449 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -8.695 0.607 4.894 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -8.625 2.870 8.497 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -8.744 -1.458 6.189 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -8.646 0.786 9.802 1.00 0.00 H new ATOM 0 HZ PHE A 128 -8.711 -1.384 8.644 1.00 0.00 H new ATOM 2070 N LYS A 129 -11.518 1.939 6.283 1.00 0.00 N ATOM 2071 CA LYS A 129 -12.523 1.474 7.229 1.00 0.00 C ATOM 2072 C LYS A 129 -12.156 0.071 7.695 1.00 0.00 C ATOM 2073 O LYS A 129 -11.412 -0.636 7.016 1.00 0.00 O ATOM 2074 CB LYS A 129 -13.916 1.470 6.599 1.00 0.00 C ATOM 2075 CG LYS A 129 -14.317 2.805 5.996 1.00 0.00 C ATOM 2076 CD LYS A 129 -14.720 3.802 7.070 1.00 0.00 C ATOM 2077 CE LYS A 129 -15.717 4.820 6.539 1.00 0.00 C ATOM 2078 NZ LYS A 129 -15.160 5.602 5.401 1.00 0.00 N ATOM 0 H LYS A 129 -11.158 1.206 5.672 1.00 0.00 H new ATOM 0 HA LYS A 129 -12.545 2.155 8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -13.952 0.705 5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -14.647 1.189 7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -13.486 3.208 5.417 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -15.146 2.659 5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -15.156 3.271 7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -13.834 4.318 7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -16.623 4.307 6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -16.003 5.500 7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -15.914 6.174 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -14.405 6.228 5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -14.771 4.951 4.690 1.00 0.00 H new ATOM 2092 N LYS A 130 -12.664 -0.333 8.848 1.00 0.00 N ATOM 2093 CA LYS A 130 -12.360 -1.658 9.377 1.00 0.00 C ATOM 2094 C LYS A 130 -13.561 -2.589 9.285 1.00 0.00 C ATOM 2095 O LYS A 130 -14.710 -2.149 9.325 1.00 0.00 O ATOM 2096 CB LYS A 130 -11.880 -1.564 10.825 1.00 0.00 C ATOM 2097 CG LYS A 130 -12.775 -0.716 11.713 1.00 0.00 C ATOM 2098 CD LYS A 130 -12.214 -0.599 13.122 1.00 0.00 C ATOM 2099 CE LYS A 130 -12.920 -1.541 14.083 1.00 0.00 C ATOM 2100 NZ LYS A 130 -14.401 -1.409 14.003 1.00 0.00 N ATOM 0 H LYS A 130 -13.283 0.229 9.433 1.00 0.00 H new ATOM 0 HA LYS A 130 -11.562 -2.077 8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -11.816 -2.569 11.243 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -10.872 -1.149 10.838 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -12.882 0.278 11.279 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -13.772 -1.156 11.753 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -11.147 -0.823 13.110 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -12.320 0.427 13.473 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -12.635 -2.569 13.859 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -12.592 -1.334 15.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -14.812 -1.530 14.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -14.646 -0.467 13.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -14.781 -2.138 13.365 1.00 0.00 H new ATOM 2114 N ASP A 131 -13.281 -3.881 9.160 1.00 0.00 N ATOM 2115 CA ASP A 131 -14.327 -4.890 9.060 1.00 0.00 C ATOM 2116 C ASP A 131 -15.106 -4.999 10.368 1.00 0.00 C ATOM 2117 O ASP A 131 -14.479 -5.300 11.405 1.00 0.35 O ATOM 2118 CB ASP A 131 -13.716 -6.245 8.700 1.00 0.00 C ATOM 2119 CG ASP A 131 -14.669 -7.116 7.905 1.00 0.00 C ATOM 2120 OD1 ASP A 131 -14.664 -7.018 6.660 1.00 0.00 O ATOM 2121 OD2 ASP A 131 -15.419 -7.897 8.528 1.00 0.00 O ATOM 2122 OXT ASP A 131 -16.335 -4.782 10.343 1.00 0.35 O ATOM 0 H ASP A 131 -12.333 -4.255 9.125 1.00 0.00 H new ATOM 0 HA ASP A 131 -15.019 -4.588 8.274 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.805 -6.088 8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.429 -6.765 9.614 1.00 0.00 H new TER 2127 ASP A 131 HETATM 2128 O3 KTR A 201 1.327 4.427 -3.270 1.00 20.00 O HETATM 2129 C4 KTR A 201 -0.661 0.846 -4.754 1.00 20.00 C HETATM 2130 C5 KTR A 201 0.245 1.088 -3.814 1.00 20.00 C HETATM 2131 C6 KTR A 201 2.048 0.220 -2.652 1.00 20.00 C HETATM 2132 N1 KTR A 201 0.966 -0.038 -3.630 1.00 20.00 N HETATM 2133 C7 KTR A 201 1.638 1.411 -1.879 1.00 20.00 C HETATM 2134 C8 KTR A 201 0.761 2.158 -2.856 1.00 20.00 C HETATM 2135 C9 KTR A 201 1.541 3.241 -3.603 1.00 20.00 C HETATM 2136 C10 KTR A 201 1.120 -3.047 -5.960 1.00 20.00 C HETATM 2137 C11 KTR A 201 1.547 -2.292 -7.048 1.00 20.00 C HETATM 2138 C12 KTR A 201 1.649 -2.864 -8.309 1.00 20.00 C HETATM 2139 C13 KTR A 201 1.322 -4.202 -8.491 1.00 20.00 C HETATM 2140 C14 KTR A 201 0.894 -4.964 -7.411 1.00 20.00 C HETATM 2141 C15 KTR A 201 0.795 -4.386 -6.152 1.00 20.00 C HETATM 2142 O1 KTR A 201 1.328 -3.042 -3.569 1.00 20.00 O HETATM 2143 C1 KTR A 201 1.007 -2.410 -4.574 1.00 20.00 C HETATM 2144 C2 KTR A 201 0.488 -0.976 -4.455 1.00 20.00 C HETATM 2145 C3 KTR A 201 -0.510 -0.456 -5.156 1.00 20.00 C HETATM 2146 O2 KTR A 201 2.335 2.859 -4.490 1.00 20.00 O HETATM 0 H9 KTR A 201 1.985 -2.264 -9.155 1.00 20.00 H new HETATM 0 H8 KTR A 201 1.804 -1.242 -6.909 1.00 20.00 H new HETATM 0 H7 KTR A 201 -0.049 2.683 -2.350 1.00 20.00 H new HETATM 0 H6 KTR A 201 1.095 1.139 -0.974 1.00 20.00 H new HETATM 0 H5 KTR A 201 2.496 2.007 -1.568 1.00 20.00 H new HETATM 0 H4 KTR A 201 2.191 -0.638 -1.996 1.00 20.00 H new HETATM 0 H3 KTR A 201 2.997 0.394 -3.160 1.00 20.00 H new HETATM 0 H2 KTR A 201 -1.394 1.556 -5.138 1.00 20.00 H new HETATM 0 H13 KTR A 201 -1.102 -0.970 -5.913 1.00 20.00 H new HETATM 0 H12 KTR A 201 0.460 -4.987 -5.307 1.00 20.00 H new HETATM 0 H11 KTR A 201 0.636 -6.014 -7.552 1.00 20.00 H new HETATM 0 H10 KTR A 201 1.401 -4.653 -9.480 1.00 20.00 H new HETATM 0 H1 KTR A 201 1.755 5.030 -3.913 1.00 20.00 H new