USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 SER OG : rot -115:sc= 0.0301 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0.0308 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0858 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 29:sc= 0.926 USER MOD Single : A 44 ASN : amide:sc= -6.67! C(o=-6.7!,f=-12!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -137:sc= -0.171 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= -0.0263 (180deg=-0.239) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc=-0.00644 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.545 K(o=-0.54,f=-1.9!) USER MOD Single : A 69 TYR OH : rot 158:sc= -0.192 USER MOD Single : A 73 SER OG : rot -37:sc= 0.208 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0172 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -165:sc= -0.0125 (180deg=-0.2) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 133:sc= -0.224 (180deg=-1.28) USER MOD Single : A 91 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-3.6!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -3.28! C(o=-6!,f=-3.3!) USER MOD Single : A 105 GLN : amide:sc= -0.634 K(o=-0.63,f=-4.1!) USER MOD Single : A 108 MET CE :methyl -164:sc= -0.0932 (180deg=-0.888) USER MOD Single : A 110 HIS :FLIP no HD1:sc= -1.1 F(o=-2,f=-1.1) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 160:sc= -0.0146 (180deg=-0.233) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN :FLIP amide:sc= -0.263 F(o=-1.3,f=-0.26) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 30 -11.442 25.690 2.543 1.00 0.00 N ATOM 2 CA GLY A 30 -11.496 26.645 3.634 1.00 0.00 C ATOM 3 C GLY A 30 -10.162 26.799 4.336 1.00 0.00 C ATOM 4 O GLY A 30 -10.047 26.529 5.532 1.00 0.00 O ATOM 0 HA2 GLY A 30 -11.815 27.614 3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.248 26.326 4.355 1.00 0.00 H new ATOM 8 N SER A 31 -9.149 27.231 3.592 1.00 0.00 N ATOM 9 CA SER A 31 -7.814 27.415 4.149 1.00 0.00 C ATOM 10 C SER A 31 -7.090 28.565 3.454 1.00 0.00 C ATOM 11 O SER A 31 -7.506 29.024 2.391 1.00 0.00 O ATOM 12 CB SER A 31 -7.000 26.127 4.013 1.00 0.00 C ATOM 13 OG SER A 31 -5.750 26.243 4.670 1.00 0.00 O ATOM 0 H SER A 31 -9.227 27.460 2.601 1.00 0.00 H new ATOM 0 HA SER A 31 -7.918 27.660 5.206 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.560 25.293 4.435 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.841 25.903 2.958 1.00 0.00 H new ATOM 0 HG SER A 31 -5.249 25.407 4.570 1.00 0.00 H new ATOM 19 N SER A 32 -6.002 29.024 4.065 1.00 0.00 N ATOM 20 CA SER A 32 -5.220 30.123 3.508 1.00 0.00 C ATOM 21 C SER A 32 -4.388 29.650 2.320 1.00 0.00 C ATOM 22 O SER A 32 -3.381 28.963 2.487 1.00 0.00 O ATOM 23 CB SER A 32 -4.307 30.720 4.580 1.00 0.00 C ATOM 24 OG SER A 32 -4.027 32.083 4.310 1.00 0.00 O ATOM 0 H SER A 32 -5.642 28.653 4.944 1.00 0.00 H new ATOM 0 HA SER A 32 -5.912 30.891 3.161 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.781 30.630 5.557 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.375 30.156 4.624 1.00 0.00 H new ATOM 0 HG SER A 32 -3.443 32.442 5.010 1.00 0.00 H new ATOM 30 N GLY A 33 -4.817 30.024 1.119 1.00 0.00 N ATOM 31 CA GLY A 33 -4.102 29.629 -0.081 1.00 0.00 C ATOM 32 C GLY A 33 -4.544 28.276 -0.602 1.00 0.00 C ATOM 33 O GLY A 33 -5.395 27.621 -0.001 1.00 0.00 O ATOM 0 H GLY A 33 -5.647 30.594 0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.256 30.381 -0.855 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.033 29.602 0.129 1.00 0.00 H new ATOM 37 N SER A 34 -3.966 27.858 -1.723 1.00 0.00 N ATOM 38 CA SER A 34 -4.310 26.576 -2.328 1.00 0.00 C ATOM 39 C SER A 34 -3.284 25.509 -1.959 1.00 0.00 C ATOM 40 O SER A 34 -2.141 25.546 -2.415 1.00 0.00 O ATOM 41 CB SER A 34 -4.396 26.713 -3.849 1.00 0.00 C ATOM 42 OG SER A 34 -5.178 25.674 -4.411 1.00 0.00 O ATOM 0 H SER A 34 -3.258 28.388 -2.231 1.00 0.00 H new ATOM 0 HA SER A 34 -5.282 26.269 -1.943 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.830 27.679 -4.106 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.394 26.690 -4.277 1.00 0.00 H new ATOM 0 HG SER A 34 -5.219 25.785 -5.384 1.00 0.00 H new ATOM 48 N SER A 35 -3.701 24.558 -1.130 1.00 0.00 N ATOM 49 CA SER A 35 -2.819 23.481 -0.696 1.00 0.00 C ATOM 50 C SER A 35 -2.770 22.366 -1.736 1.00 0.00 C ATOM 51 O SER A 35 -3.706 22.186 -2.514 1.00 0.00 O ATOM 52 CB SER A 35 -3.287 22.920 0.649 1.00 0.00 C ATOM 53 OG SER A 35 -3.395 23.946 1.620 1.00 0.00 O ATOM 0 H SER A 35 -4.644 24.511 -0.745 1.00 0.00 H new ATOM 0 HA SER A 35 -1.816 23.891 -0.581 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.252 22.429 0.526 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.585 22.161 0.994 1.00 0.00 H new ATOM 0 HG SER A 35 -3.697 23.562 2.469 1.00 0.00 H new ATOM 59 N GLY A 36 -1.670 21.619 -1.743 1.00 0.00 N ATOM 60 CA GLY A 36 -1.517 20.531 -2.690 1.00 0.00 C ATOM 61 C GLY A 36 -0.878 19.306 -2.069 1.00 0.00 C ATOM 62 O GLY A 36 -0.067 18.630 -2.703 1.00 0.00 O ATOM 0 H GLY A 36 -0.882 21.749 -1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.494 20.263 -3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.909 20.868 -3.530 1.00 0.00 H new ATOM 66 N SER A 37 -1.242 19.018 -0.823 1.00 0.00 N ATOM 67 CA SER A 37 -0.693 17.868 -0.113 1.00 0.00 C ATOM 68 C SER A 37 -1.356 16.575 -0.578 1.00 0.00 C ATOM 69 O SER A 37 -2.493 16.280 -0.212 1.00 0.00 O ATOM 70 CB SER A 37 -0.882 18.037 1.396 1.00 0.00 C ATOM 71 OG SER A 37 -2.257 18.090 1.735 1.00 0.00 O ATOM 0 H SER A 37 -1.914 19.565 -0.285 1.00 0.00 H new ATOM 0 HA SER A 37 0.373 17.810 -0.335 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.407 17.208 1.920 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.387 18.950 1.728 1.00 0.00 H new ATOM 0 HG SER A 37 -2.775 17.577 1.080 1.00 0.00 H new ATOM 77 N GLY A 38 -0.636 15.807 -1.390 1.00 0.00 N ATOM 78 CA GLY A 38 -1.169 14.555 -1.894 1.00 0.00 C ATOM 79 C GLY A 38 -0.846 13.382 -0.990 1.00 0.00 C ATOM 80 O GLY A 38 -0.408 12.331 -1.459 1.00 0.00 O ATOM 0 H GLY A 38 0.307 16.030 -1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.250 14.641 -2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.765 14.366 -2.888 1.00 0.00 H new ATOM 84 N ARG A 39 -1.060 13.561 0.309 1.00 0.00 N ATOM 85 CA ARG A 39 -0.785 12.510 1.281 1.00 0.00 C ATOM 86 C ARG A 39 -1.909 11.478 1.299 1.00 0.00 C ATOM 87 O ARG A 39 -3.087 11.826 1.193 1.00 0.00 O ATOM 88 CB ARG A 39 -0.607 13.110 2.677 1.00 0.00 C ATOM 89 CG ARG A 39 0.172 12.217 3.629 1.00 0.00 C ATOM 90 CD ARG A 39 0.925 13.034 4.668 1.00 0.00 C ATOM 91 NE ARG A 39 2.059 12.300 5.223 1.00 0.00 N ATOM 92 CZ ARG A 39 2.654 12.623 6.367 1.00 0.00 C ATOM 93 NH1 ARG A 39 2.224 13.659 7.072 1.00 0.00 N ATOM 94 NH2 ARG A 39 3.681 11.907 6.806 1.00 0.00 N ATOM 0 H ARG A 39 -1.423 14.424 0.713 1.00 0.00 H new ATOM 0 HA ARG A 39 0.138 12.011 0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.094 14.068 2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.589 13.313 3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.512 11.532 4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.877 11.607 3.063 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.279 13.960 4.214 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.245 13.313 5.473 1.00 0.00 H new ATOM 0 HE ARG A 39 2.414 11.496 4.705 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.434 14.211 6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.683 13.904 7.949 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.014 11.109 6.266 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.137 12.155 7.684 1.00 0.00 H new ATOM 108 N LEU A 40 -1.539 10.210 1.432 1.00 0.00 N ATOM 109 CA LEU A 40 -2.516 9.127 1.463 1.00 0.00 C ATOM 110 C LEU A 40 -2.069 8.016 2.408 1.00 0.00 C ATOM 111 O LEU A 40 -0.890 7.661 2.452 1.00 0.00 O ATOM 112 CB LEU A 40 -2.726 8.562 0.057 1.00 0.00 C ATOM 113 CG LEU A 40 -3.283 9.536 -0.981 1.00 0.00 C ATOM 114 CD1 LEU A 40 -3.036 9.015 -2.389 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.769 9.769 -0.750 1.00 0.00 C ATOM 0 H LEU A 40 -0.569 9.906 1.520 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.459 9.533 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.771 8.182 -0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.403 7.710 0.127 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.765 10.489 -0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.439 9.722 -3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.964 8.900 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.527 8.050 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.149 10.465 -1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.303 8.822 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.921 10.187 0.245 1.00 0.00 H new ATOM 127 N PHE A 41 -3.017 7.469 3.162 1.00 0.00 N ATOM 128 CA PHE A 41 -2.721 6.398 4.105 1.00 0.00 C ATOM 129 C PHE A 41 -2.774 5.037 3.417 1.00 0.00 C ATOM 130 O PHE A 41 -3.724 4.729 2.697 1.00 0.00 O ATOM 131 CB PHE A 41 -3.709 6.430 5.273 1.00 0.00 C ATOM 132 CG PHE A 41 -3.489 5.333 6.275 1.00 0.00 C ATOM 133 CD1 PHE A 41 -2.252 5.161 6.874 1.00 0.00 C ATOM 134 CD2 PHE A 41 -4.520 4.473 6.617 1.00 0.00 C ATOM 135 CE1 PHE A 41 -2.046 4.152 7.796 1.00 0.00 C ATOM 136 CE2 PHE A 41 -4.321 3.462 7.538 1.00 0.00 C ATOM 137 CZ PHE A 41 -3.082 3.301 8.128 1.00 0.00 C ATOM 0 H PHE A 41 -3.997 7.750 3.138 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.712 6.553 4.487 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.631 7.393 5.778 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.724 6.356 4.882 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.438 5.823 6.618 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.490 4.594 6.159 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.077 4.029 8.256 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.133 2.798 7.796 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.924 2.511 8.847 1.00 0.00 H new ATOM 147 N VAL A 42 -1.745 4.226 3.643 1.00 0.00 N ATOM 148 CA VAL A 42 -1.674 2.897 3.046 1.00 0.00 C ATOM 149 C VAL A 42 -1.359 1.839 4.097 1.00 0.00 C ATOM 150 O VAL A 42 -0.427 1.991 4.886 1.00 0.00 O ATOM 151 CB VAL A 42 -0.607 2.837 1.936 1.00 0.00 C ATOM 152 CG1 VAL A 42 -0.722 1.537 1.155 1.00 0.00 C ATOM 153 CG2 VAL A 42 -0.733 4.038 1.011 1.00 0.00 C ATOM 0 H VAL A 42 -0.950 4.466 4.235 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.652 2.692 2.611 1.00 0.00 H new ATOM 0 HB VAL A 42 0.379 2.867 2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.039 1.512 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.578 0.693 1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.710 1.473 0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.028 3.980 0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.722 4.042 0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.596 4.955 1.584 1.00 0.00 H new ATOM 163 N ARG A 43 -2.142 0.765 4.100 1.00 0.00 N ATOM 164 CA ARG A 43 -1.947 -0.320 5.055 1.00 0.00 C ATOM 165 C ARG A 43 -1.983 -1.674 4.353 1.00 0.00 C ATOM 166 O ARG A 43 -2.395 -1.775 3.199 1.00 0.00 O ATOM 167 CB ARG A 43 -3.020 -0.268 6.144 1.00 0.00 C ATOM 168 CG ARG A 43 -4.379 -0.772 5.684 1.00 0.00 C ATOM 169 CD ARG A 43 -4.559 -2.250 5.996 1.00 0.00 C ATOM 170 NE ARG A 43 -5.178 -2.461 7.302 1.00 0.00 N ATOM 171 CZ ARG A 43 -5.617 -3.642 7.725 1.00 0.00 C ATOM 172 NH1 ARG A 43 -5.505 -4.711 6.949 1.00 0.00 N ATOM 173 NH2 ARG A 43 -6.168 -3.755 8.926 1.00 0.00 N ATOM 0 H ARG A 43 -2.917 0.623 3.452 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.967 -0.195 5.515 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.690 -0.863 6.996 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.122 0.760 6.493 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.166 -0.197 6.172 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.485 -0.610 4.611 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.175 -2.711 5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.589 -2.747 5.970 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.279 -1.658 7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.081 -4.628 6.025 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.843 -5.616 7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.255 -2.935 9.526 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.505 -4.662 9.249 1.00 0.00 H new ATOM 187 N ASN A 44 -1.549 -2.713 5.060 1.00 0.00 N ATOM 188 CA ASN A 44 -1.530 -4.061 4.505 1.00 0.00 C ATOM 189 C ASN A 44 -0.387 -4.224 3.509 1.00 0.00 C ATOM 190 O ASN A 44 -0.599 -4.616 2.361 1.00 0.00 O ATOM 191 CB ASN A 44 -2.864 -4.372 3.823 1.00 0.00 C ATOM 192 CG ASN A 44 -3.147 -5.861 3.759 1.00 0.00 C ATOM 193 OD1 ASN A 44 -3.127 -6.462 2.685 1.00 0.00 O ATOM 194 ND2 ASN A 44 -3.414 -6.462 4.913 1.00 0.00 N ATOM 0 H ASN A 44 -1.206 -2.647 6.018 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.376 -4.762 5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.670 -3.875 4.363 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.857 -3.962 2.813 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.613 -7.462 4.933 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.420 -5.923 5.779 1.00 0.00 H new ATOM 201 N LEU A 45 0.827 -3.920 3.955 1.00 0.00 N ATOM 202 CA LEU A 45 2.006 -4.033 3.103 1.00 0.00 C ATOM 203 C LEU A 45 2.699 -5.376 3.307 1.00 0.00 C ATOM 204 O LEU A 45 3.334 -5.609 4.336 1.00 0.00 O ATOM 205 CB LEU A 45 2.983 -2.893 3.397 1.00 0.00 C ATOM 206 CG LEU A 45 2.804 -1.624 2.563 1.00 0.00 C ATOM 207 CD1 LEU A 45 3.086 -1.906 1.095 1.00 0.00 C ATOM 208 CD2 LEU A 45 1.402 -1.062 2.741 1.00 0.00 C ATOM 0 H LEU A 45 1.021 -3.593 4.902 1.00 0.00 H new ATOM 0 HA LEU A 45 1.681 -3.967 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.894 -2.627 4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.997 -3.263 3.247 1.00 0.00 H new ATOM 0 HG LEU A 45 3.519 -0.879 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.954 -0.991 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.110 -2.261 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.396 -2.668 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.293 -0.159 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.670 -1.803 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.237 -0.821 3.791 1.00 0.00 H new ATOM 220 N SER A 46 2.573 -6.257 2.320 1.00 0.00 N ATOM 221 CA SER A 46 3.185 -7.579 2.391 1.00 0.00 C ATOM 222 C SER A 46 4.637 -7.480 2.849 1.00 0.00 C ATOM 223 O SER A 46 5.442 -6.766 2.250 1.00 0.00 O ATOM 224 CB SER A 46 3.114 -8.271 1.029 1.00 0.00 C ATOM 225 OG SER A 46 3.244 -9.676 1.164 1.00 0.00 O ATOM 0 H SER A 46 2.052 -6.079 1.461 1.00 0.00 H new ATOM 0 HA SER A 46 2.631 -8.171 3.120 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.166 -8.035 0.547 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.904 -7.890 0.382 1.00 0.00 H new ATOM 0 HG SER A 46 4.068 -9.972 0.725 1.00 0.00 H new ATOM 231 N TYR A 47 4.965 -8.202 3.915 1.00 0.00 N ATOM 232 CA TYR A 47 6.319 -8.195 4.456 1.00 0.00 C ATOM 233 C TYR A 47 7.339 -8.534 3.374 1.00 0.00 C ATOM 234 O TYR A 47 8.484 -8.081 3.418 1.00 0.00 O ATOM 235 CB TYR A 47 6.434 -9.192 5.611 1.00 0.00 C ATOM 236 CG TYR A 47 5.167 -9.324 6.425 1.00 0.00 C ATOM 237 CD1 TYR A 47 4.581 -8.214 7.020 1.00 0.00 C ATOM 238 CD2 TYR A 47 4.555 -10.560 6.599 1.00 0.00 C ATOM 239 CE1 TYR A 47 3.424 -8.330 7.766 1.00 0.00 C ATOM 240 CE2 TYR A 47 3.397 -10.685 7.342 1.00 0.00 C ATOM 241 CZ TYR A 47 2.836 -9.568 7.924 1.00 0.00 C ATOM 242 OH TYR A 47 1.682 -9.688 8.664 1.00 0.00 O ATOM 0 H TYR A 47 4.312 -8.799 4.421 1.00 0.00 H new ATOM 0 HA TYR A 47 6.530 -7.192 4.828 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.702 -10.170 5.211 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.247 -8.882 6.268 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.038 -7.243 6.897 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.992 -11.437 6.146 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.982 -7.457 8.223 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.934 -11.653 7.466 1.00 0.00 H new ATOM 0 HH TYR A 47 1.397 -10.626 8.676 1.00 0.00 H new ATOM 252 N THR A 48 6.916 -9.334 2.400 1.00 0.00 N ATOM 253 CA THR A 48 7.792 -9.734 1.305 1.00 0.00 C ATOM 254 C THR A 48 8.130 -8.548 0.410 1.00 0.00 C ATOM 255 O THR A 48 9.134 -8.562 -0.303 1.00 0.00 O ATOM 256 CB THR A 48 7.150 -10.843 0.450 1.00 0.00 C ATOM 257 OG1 THR A 48 6.086 -10.299 -0.339 1.00 0.00 O ATOM 258 CG2 THR A 48 6.615 -11.963 1.328 1.00 0.00 C ATOM 0 H THR A 48 5.972 -9.718 2.347 1.00 0.00 H new ATOM 0 HA THR A 48 8.708 -10.117 1.756 1.00 0.00 H new ATOM 0 HB THR A 48 7.917 -11.253 -0.207 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.684 -11.010 -0.881 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.167 -12.734 0.701 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.432 -12.395 1.905 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.862 -11.564 2.008 1.00 0.00 H new ATOM 266 N SER A 49 7.286 -7.522 0.451 1.00 0.00 N ATOM 267 CA SER A 49 7.495 -6.328 -0.361 1.00 0.00 C ATOM 268 C SER A 49 8.553 -5.425 0.264 1.00 0.00 C ATOM 269 O SER A 49 8.735 -5.413 1.482 1.00 0.00 O ATOM 270 CB SER A 49 6.182 -5.559 -0.521 1.00 0.00 C ATOM 271 OG SER A 49 5.289 -6.247 -1.380 1.00 0.00 O ATOM 0 H SER A 49 6.452 -7.493 1.037 1.00 0.00 H new ATOM 0 HA SER A 49 7.846 -6.643 -1.344 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.717 -5.419 0.455 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.385 -4.566 -0.922 1.00 0.00 H new ATOM 0 HG SER A 49 4.861 -5.608 -1.987 1.00 0.00 H new ATOM 277 N SER A 50 9.250 -4.669 -0.579 1.00 0.00 N ATOM 278 CA SER A 50 10.294 -3.765 -0.111 1.00 0.00 C ATOM 279 C SER A 50 9.884 -2.310 -0.316 1.00 0.00 C ATOM 280 O SER A 50 8.862 -2.024 -0.938 1.00 0.00 O ATOM 281 CB SER A 50 11.607 -4.045 -0.844 1.00 0.00 C ATOM 282 OG SER A 50 12.381 -5.010 -0.153 1.00 0.00 O ATOM 0 H SER A 50 9.110 -4.665 -1.589 1.00 0.00 H new ATOM 0 HA SER A 50 10.438 -3.937 0.956 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.396 -4.399 -1.853 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.176 -3.121 -0.943 1.00 0.00 H new ATOM 0 HG SER A 50 13.214 -5.173 -0.643 1.00 0.00 H new ATOM 288 N GLU A 51 10.690 -1.394 0.213 1.00 0.00 N ATOM 289 CA GLU A 51 10.411 0.032 0.088 1.00 0.00 C ATOM 290 C GLU A 51 10.562 0.492 -1.359 1.00 0.00 C ATOM 291 O GLU A 51 9.835 1.371 -1.820 1.00 0.00 O ATOM 292 CB GLU A 51 11.347 0.838 0.991 1.00 0.00 C ATOM 293 CG GLU A 51 11.035 2.325 1.019 1.00 0.00 C ATOM 294 CD GLU A 51 12.102 3.131 1.734 1.00 0.00 C ATOM 295 OE1 GLU A 51 13.250 3.160 1.244 1.00 0.00 O ATOM 296 OE2 GLU A 51 11.789 3.733 2.782 1.00 0.00 O ATOM 0 H GLU A 51 11.540 -1.614 0.732 1.00 0.00 H new ATOM 0 HA GLU A 51 9.380 0.203 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.288 0.444 2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.374 0.697 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.933 2.690 -0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.075 2.482 1.511 1.00 0.00 H new ATOM 303 N GLU A 52 11.511 -0.110 -2.069 1.00 0.00 N ATOM 304 CA GLU A 52 11.758 0.239 -3.463 1.00 0.00 C ATOM 305 C GLU A 52 10.512 0.003 -4.312 1.00 0.00 C ATOM 306 O GLU A 52 10.010 0.917 -4.966 1.00 0.00 O ATOM 307 CB GLU A 52 12.928 -0.577 -4.017 1.00 0.00 C ATOM 308 CG GLU A 52 13.160 -0.376 -5.505 1.00 0.00 C ATOM 309 CD GLU A 52 14.437 -1.033 -5.990 1.00 0.00 C ATOM 310 OE1 GLU A 52 14.480 -2.280 -6.043 1.00 0.00 O ATOM 311 OE2 GLU A 52 15.394 -0.300 -6.318 1.00 0.00 O ATOM 0 H GLU A 52 12.121 -0.841 -1.702 1.00 0.00 H new ATOM 0 HA GLU A 52 12.011 1.298 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.836 -0.308 -3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.745 -1.634 -3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.314 -0.782 -6.059 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.200 0.691 -5.722 1.00 0.00 H new ATOM 318 N ASP A 53 10.018 -1.230 -4.296 1.00 0.00 N ATOM 319 CA ASP A 53 8.830 -1.588 -5.064 1.00 0.00 C ATOM 320 C ASP A 53 7.729 -0.550 -4.876 1.00 0.00 C ATOM 321 O ASP A 53 7.197 -0.011 -5.848 1.00 0.00 O ATOM 322 CB ASP A 53 8.323 -2.969 -4.645 1.00 0.00 C ATOM 323 CG ASP A 53 8.582 -3.261 -3.180 1.00 0.00 C ATOM 324 OD1 ASP A 53 9.764 -3.275 -2.778 1.00 0.00 O ATOM 325 OD2 ASP A 53 7.602 -3.475 -2.435 1.00 0.00 O ATOM 0 H ASP A 53 10.421 -1.999 -3.760 1.00 0.00 H new ATOM 0 HA ASP A 53 9.103 -1.615 -6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.253 -3.035 -4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.807 -3.731 -5.256 1.00 0.00 H new ATOM 330 N LEU A 54 7.391 -0.274 -3.622 1.00 0.00 N ATOM 331 CA LEU A 54 6.351 0.700 -3.306 1.00 0.00 C ATOM 332 C LEU A 54 6.546 1.984 -4.107 1.00 0.00 C ATOM 333 O LEU A 54 5.641 2.431 -4.809 1.00 0.00 O ATOM 334 CB LEU A 54 6.356 1.014 -1.809 1.00 0.00 C ATOM 335 CG LEU A 54 5.706 -0.032 -0.902 1.00 0.00 C ATOM 336 CD1 LEU A 54 5.958 0.299 0.561 1.00 0.00 C ATOM 337 CD2 LEU A 54 4.213 -0.124 -1.180 1.00 0.00 C ATOM 0 H LEU A 54 7.821 -0.710 -2.807 1.00 0.00 H new ATOM 0 HA LEU A 54 5.388 0.267 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.389 1.151 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.847 1.965 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 54 6.156 -1.001 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.488 -0.456 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.031 0.314 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.536 1.277 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.767 -0.873 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.748 0.844 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.053 -0.409 -2.220 1.00 0.00 H new ATOM 349 N GLU A 55 7.735 2.569 -3.996 1.00 0.00 N ATOM 350 CA GLU A 55 8.048 3.801 -4.711 1.00 0.00 C ATOM 351 C GLU A 55 7.603 3.712 -6.168 1.00 0.00 C ATOM 352 O GLU A 55 6.874 4.574 -6.660 1.00 0.00 O ATOM 353 CB GLU A 55 9.550 4.089 -4.642 1.00 0.00 C ATOM 354 CG GLU A 55 10.033 4.470 -3.253 1.00 0.00 C ATOM 355 CD GLU A 55 11.477 4.934 -3.245 1.00 0.00 C ATOM 356 OE1 GLU A 55 12.378 4.070 -3.262 1.00 0.00 O ATOM 357 OE2 GLU A 55 11.705 6.161 -3.221 1.00 0.00 O ATOM 0 H GLU A 55 8.496 2.210 -3.419 1.00 0.00 H new ATOM 0 HA GLU A 55 7.506 4.617 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.096 3.208 -4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.789 4.896 -5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.398 5.262 -2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.927 3.613 -2.588 1.00 0.00 H new ATOM 364 N LYS A 56 8.047 2.665 -6.854 1.00 0.00 N ATOM 365 CA LYS A 56 7.695 2.461 -8.254 1.00 0.00 C ATOM 366 C LYS A 56 6.188 2.294 -8.418 1.00 0.00 C ATOM 367 O LYS A 56 5.552 3.019 -9.184 1.00 0.00 O ATOM 368 CB LYS A 56 8.419 1.232 -8.810 1.00 0.00 C ATOM 369 CG LYS A 56 9.882 1.482 -9.133 1.00 0.00 C ATOM 370 CD LYS A 56 10.710 1.654 -7.871 1.00 0.00 C ATOM 371 CE LYS A 56 12.153 2.009 -8.195 1.00 0.00 C ATOM 372 NZ LYS A 56 12.786 0.997 -9.086 1.00 0.00 N ATOM 0 H LYS A 56 8.652 1.943 -6.463 1.00 0.00 H new ATOM 0 HA LYS A 56 8.008 3.343 -8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.349 0.421 -8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.908 0.898 -9.713 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.274 0.649 -9.716 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.971 2.374 -9.752 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.272 2.436 -7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.683 0.733 -7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.188 2.987 -8.674 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.724 2.087 -7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.808 1.179 -9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.627 0.045 -8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.366 1.059 -10.035 1.00 0.00 H new ATOM 386 N LEU A 57 5.622 1.335 -7.692 1.00 0.00 N ATOM 387 CA LEU A 57 4.188 1.074 -7.756 1.00 0.00 C ATOM 388 C LEU A 57 3.400 2.378 -7.833 1.00 0.00 C ATOM 389 O LEU A 57 2.767 2.673 -8.847 1.00 0.00 O ATOM 390 CB LEU A 57 3.742 0.267 -6.535 1.00 0.00 C ATOM 391 CG LEU A 57 2.234 0.189 -6.296 1.00 0.00 C ATOM 392 CD1 LEU A 57 1.576 -0.713 -7.329 1.00 0.00 C ATOM 393 CD2 LEU A 57 1.942 -0.309 -4.888 1.00 0.00 C ATOM 0 H LEU A 57 6.134 0.726 -7.053 1.00 0.00 H new ATOM 0 HA LEU A 57 3.989 0.497 -8.659 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.127 -0.748 -6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.208 0.699 -5.649 1.00 0.00 H new ATOM 0 HG LEU A 57 1.817 1.191 -6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.503 -0.757 -7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.756 -0.314 -8.327 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.997 -1.716 -7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.864 -0.358 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.373 -1.302 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.380 0.376 -4.162 1.00 0.00 H new ATOM 405 N PHE A 58 3.444 3.155 -6.756 1.00 0.00 N ATOM 406 CA PHE A 58 2.735 4.428 -6.702 1.00 0.00 C ATOM 407 C PHE A 58 3.319 5.418 -7.706 1.00 0.00 C ATOM 408 O PHE A 58 2.586 6.063 -8.455 1.00 0.00 O ATOM 409 CB PHE A 58 2.804 5.015 -5.291 1.00 0.00 C ATOM 410 CG PHE A 58 2.171 4.141 -4.247 1.00 0.00 C ATOM 411 CD1 PHE A 58 0.793 4.005 -4.180 1.00 0.00 C ATOM 412 CD2 PHE A 58 2.952 3.454 -3.332 1.00 0.00 C ATOM 413 CE1 PHE A 58 0.208 3.202 -3.220 1.00 0.00 C ATOM 414 CE2 PHE A 58 2.373 2.649 -2.369 1.00 0.00 C ATOM 415 CZ PHE A 58 0.999 2.522 -2.314 1.00 0.00 C ATOM 0 H PHE A 58 3.963 2.925 -5.909 1.00 0.00 H new ATOM 0 HA PHE A 58 1.692 4.246 -6.962 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.848 5.185 -5.027 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.312 5.988 -5.286 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.170 4.533 -4.886 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.027 3.549 -3.372 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.867 3.106 -3.178 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.994 2.120 -1.661 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.544 1.892 -1.564 1.00 0.00 H new ATOM 425 N SER A 59 4.643 5.533 -7.714 1.00 0.00 N ATOM 426 CA SER A 59 5.325 6.447 -8.622 1.00 0.00 C ATOM 427 C SER A 59 4.609 6.513 -9.967 1.00 0.00 C ATOM 428 O SER A 59 4.459 7.586 -10.551 1.00 0.00 O ATOM 429 CB SER A 59 6.777 6.009 -8.825 1.00 0.00 C ATOM 430 OG SER A 59 7.327 6.591 -9.994 1.00 0.00 O ATOM 0 H SER A 59 5.265 5.005 -7.102 1.00 0.00 H new ATOM 0 HA SER A 59 5.312 7.441 -8.175 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.371 6.297 -7.958 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.825 4.923 -8.899 1.00 0.00 H new ATOM 0 HG SER A 59 8.256 6.297 -10.100 1.00 0.00 H new ATOM 436 N ALA A 60 4.168 5.357 -10.453 1.00 0.00 N ATOM 437 CA ALA A 60 3.466 5.282 -11.727 1.00 0.00 C ATOM 438 C ALA A 60 2.361 6.330 -11.808 1.00 0.00 C ATOM 439 O ALA A 60 2.276 7.084 -12.777 1.00 0.00 O ATOM 440 CB ALA A 60 2.890 3.889 -11.932 1.00 0.00 C ATOM 0 H ALA A 60 4.285 4.460 -9.983 1.00 0.00 H new ATOM 0 HA ALA A 60 4.184 5.487 -12.521 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.368 3.848 -12.888 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.698 3.157 -11.928 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.191 3.662 -11.127 1.00 0.00 H new ATOM 446 N TYR A 61 1.516 6.371 -10.784 1.00 0.00 N ATOM 447 CA TYR A 61 0.413 7.325 -10.740 1.00 0.00 C ATOM 448 C TYR A 61 0.931 8.759 -10.797 1.00 0.00 C ATOM 449 O TYR A 61 0.393 9.597 -11.519 1.00 0.00 O ATOM 450 CB TYR A 61 -0.415 7.120 -9.471 1.00 0.00 C ATOM 451 CG TYR A 61 -1.212 5.835 -9.468 1.00 0.00 C ATOM 452 CD1 TYR A 61 -2.479 5.779 -10.036 1.00 0.00 C ATOM 453 CD2 TYR A 61 -0.698 4.678 -8.897 1.00 0.00 C ATOM 454 CE1 TYR A 61 -3.211 4.607 -10.035 1.00 0.00 C ATOM 455 CE2 TYR A 61 -1.422 3.501 -8.893 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.678 3.471 -9.463 1.00 0.00 C ATOM 457 OH TYR A 61 -3.403 2.301 -9.460 1.00 0.00 O ATOM 0 H TYR A 61 1.573 5.755 -9.973 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.220 7.152 -11.611 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.251 7.127 -8.608 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.098 7.961 -9.353 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.899 6.667 -10.486 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.284 4.699 -8.448 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.195 4.581 -10.480 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.007 2.610 -8.446 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.884 1.596 -9.020 1.00 0.00 H new ATOM 467 N GLY A 62 1.982 9.033 -10.030 1.00 0.00 N ATOM 468 CA GLY A 62 2.556 10.365 -10.007 1.00 0.00 C ATOM 469 C GLY A 62 3.893 10.408 -9.293 1.00 0.00 C ATOM 470 O GLY A 62 4.324 9.433 -8.678 1.00 0.00 O ATOM 0 H GLY A 62 2.446 8.356 -9.424 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.682 10.721 -11.030 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.863 11.048 -9.515 1.00 0.00 H new ATOM 474 N PRO A 63 4.573 11.562 -9.372 1.00 0.00 N ATOM 475 CA PRO A 63 5.879 11.755 -8.735 1.00 0.00 C ATOM 476 C PRO A 63 5.781 11.804 -7.214 1.00 0.00 C ATOM 477 O PRO A 63 5.223 12.744 -6.647 1.00 0.00 O ATOM 478 CB PRO A 63 6.345 13.106 -9.284 1.00 0.00 C ATOM 479 CG PRO A 63 5.089 13.824 -9.639 1.00 0.00 C ATOM 480 CD PRO A 63 4.120 12.766 -10.089 1.00 0.00 C ATOM 0 HA PRO A 63 6.562 10.933 -8.949 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.920 13.658 -8.541 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.988 12.979 -10.155 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.698 14.373 -8.782 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.266 14.553 -10.430 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.093 13.025 -9.831 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.151 12.626 -11.170 1.00 0.00 H new ATOM 488 N LEU A 64 6.326 10.786 -6.558 1.00 0.00 N ATOM 489 CA LEU A 64 6.301 10.712 -5.101 1.00 0.00 C ATOM 490 C LEU A 64 7.180 11.796 -4.486 1.00 0.00 C ATOM 491 O LEU A 64 8.342 11.954 -4.861 1.00 0.00 O ATOM 492 CB LEU A 64 6.767 9.333 -4.632 1.00 0.00 C ATOM 493 CG LEU A 64 6.015 8.136 -5.213 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.670 6.833 -4.783 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.554 8.166 -4.787 1.00 0.00 C ATOM 0 H LEU A 64 6.791 10.000 -7.012 1.00 0.00 H new ATOM 0 HA LEU A 64 5.275 10.872 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.824 9.226 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.686 9.295 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 64 6.058 8.198 -6.300 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.120 5.992 -5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.700 6.809 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.660 6.762 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.034 7.306 -5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.491 8.129 -3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.089 9.084 -5.146 1.00 0.00 H new ATOM 507 N SER A 65 6.618 12.539 -3.537 1.00 0.00 N ATOM 508 CA SER A 65 7.351 13.609 -2.871 1.00 0.00 C ATOM 509 C SER A 65 8.119 13.073 -1.666 1.00 0.00 C ATOM 510 O SER A 65 9.221 13.532 -1.366 1.00 0.00 O ATOM 511 CB SER A 65 6.390 14.714 -2.426 1.00 0.00 C ATOM 512 OG SER A 65 7.013 15.591 -1.504 1.00 0.00 O ATOM 0 H SER A 65 5.658 12.419 -3.213 1.00 0.00 H new ATOM 0 HA SER A 65 8.066 14.023 -3.582 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.050 15.277 -3.295 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.506 14.269 -1.969 1.00 0.00 H new ATOM 0 HG SER A 65 6.379 16.289 -1.236 1.00 0.00 H new ATOM 518 N GLU A 66 7.529 12.099 -0.981 1.00 0.00 N ATOM 519 CA GLU A 66 8.157 11.501 0.191 1.00 0.00 C ATOM 520 C GLU A 66 7.528 10.149 0.515 1.00 0.00 C ATOM 521 O GLU A 66 6.341 9.928 0.268 1.00 0.00 O ATOM 522 CB GLU A 66 8.033 12.435 1.396 1.00 0.00 C ATOM 523 CG GLU A 66 8.292 11.749 2.727 1.00 0.00 C ATOM 524 CD GLU A 66 8.849 12.696 3.772 1.00 0.00 C ATOM 525 OE1 GLU A 66 10.050 13.029 3.693 1.00 0.00 O ATOM 526 OE2 GLU A 66 8.083 13.104 4.670 1.00 0.00 O ATOM 0 H GLU A 66 6.617 11.707 -1.217 1.00 0.00 H new ATOM 0 HA GLU A 66 9.213 11.347 -0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.736 13.260 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.033 12.868 1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.362 11.314 3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.991 10.926 2.578 1.00 0.00 H new ATOM 533 N LEU A 67 8.331 9.247 1.068 1.00 0.00 N ATOM 534 CA LEU A 67 7.855 7.915 1.426 1.00 0.00 C ATOM 535 C LEU A 67 8.251 7.561 2.856 1.00 0.00 C ATOM 536 O LEU A 67 9.331 7.927 3.320 1.00 0.00 O ATOM 537 CB LEU A 67 8.415 6.873 0.456 1.00 0.00 C ATOM 538 CG LEU A 67 7.775 5.486 0.517 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.423 5.491 -0.180 1.00 0.00 C ATOM 540 CD2 LEU A 67 8.695 4.446 -0.105 1.00 0.00 C ATOM 0 H LEU A 67 9.315 9.413 1.278 1.00 0.00 H new ATOM 0 HA LEU A 67 6.767 7.915 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.308 7.256 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.483 6.767 0.645 1.00 0.00 H new ATOM 0 HG LEU A 67 7.620 5.224 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.982 4.495 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.763 6.207 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.553 5.775 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.223 3.465 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.883 4.703 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.639 4.424 0.439 1.00 0.00 H new ATOM 552 N HIS A 68 7.371 6.845 3.549 1.00 0.00 N ATOM 553 CA HIS A 68 7.631 6.438 4.925 1.00 0.00 C ATOM 554 C HIS A 68 7.390 4.943 5.105 1.00 0.00 C ATOM 555 O HIS A 68 6.248 4.498 5.226 1.00 0.00 O ATOM 556 CB HIS A 68 6.745 7.229 5.888 1.00 0.00 C ATOM 557 CG HIS A 68 7.184 7.139 7.317 1.00 0.00 C ATOM 558 ND1 HIS A 68 7.784 6.018 7.851 1.00 0.00 N ATOM 559 CD2 HIS A 68 7.109 8.040 8.325 1.00 0.00 C ATOM 560 CE1 HIS A 68 8.058 6.232 9.125 1.00 0.00 C ATOM 561 NE2 HIS A 68 7.658 7.452 9.438 1.00 0.00 N ATOM 0 H HIS A 68 6.472 6.535 3.180 1.00 0.00 H new ATOM 0 HA HIS A 68 8.677 6.648 5.149 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.737 8.276 5.584 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.720 6.866 5.808 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.695 9.036 8.265 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.529 5.530 9.797 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.743 7.886 10.357 1.00 0.00 H new ATOM 570 N TYR A 69 8.471 4.172 5.119 1.00 0.00 N ATOM 571 CA TYR A 69 8.377 2.726 5.281 1.00 0.00 C ATOM 572 C TYR A 69 9.043 2.278 6.578 1.00 0.00 C ATOM 573 O TYR A 69 10.248 2.034 6.636 1.00 0.00 O ATOM 574 CB TYR A 69 9.024 2.015 4.090 1.00 0.00 C ATOM 575 CG TYR A 69 8.462 0.636 3.829 1.00 0.00 C ATOM 576 CD1 TYR A 69 7.090 0.419 3.798 1.00 0.00 C ATOM 577 CD2 TYR A 69 9.303 -0.449 3.615 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.572 -0.840 3.561 1.00 0.00 C ATOM 579 CE2 TYR A 69 8.793 -1.710 3.375 1.00 0.00 C ATOM 580 CZ TYR A 69 7.427 -1.901 3.349 1.00 0.00 C ATOM 581 OH TYR A 69 6.916 -3.156 3.112 1.00 0.00 O ATOM 0 H TYR A 69 9.423 4.524 5.020 1.00 0.00 H new ATOM 0 HA TYR A 69 7.321 2.459 5.325 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.892 2.627 3.197 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.097 1.934 4.265 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.417 1.248 3.962 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.373 -0.304 3.637 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.503 -0.992 3.542 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.460 -2.543 3.208 1.00 0.00 H new ATOM 0 HH TYR A 69 7.588 -3.701 2.652 1.00 0.00 H new ATOM 591 N PRO A 70 8.239 2.165 7.646 1.00 0.00 N ATOM 592 CA PRO A 70 8.726 1.745 8.963 1.00 0.00 C ATOM 593 C PRO A 70 9.130 0.274 8.989 1.00 0.00 C ATOM 594 O PRO A 70 8.440 -0.579 8.431 1.00 0.00 O ATOM 595 CB PRO A 70 7.524 1.985 9.880 1.00 0.00 C ATOM 596 CG PRO A 70 6.340 1.904 8.980 1.00 0.00 C ATOM 597 CD PRO A 70 6.792 2.439 7.650 1.00 0.00 C ATOM 0 HA PRO A 70 9.621 2.292 9.260 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.473 1.236 10.670 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.585 2.958 10.367 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.990 0.876 8.888 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.510 2.490 9.374 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.286 1.940 6.823 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.585 3.505 7.554 1.00 0.00 H new ATOM 605 N ILE A 71 10.251 -0.015 9.641 1.00 0.00 N ATOM 606 CA ILE A 71 10.745 -1.382 9.741 1.00 0.00 C ATOM 607 C ILE A 71 11.278 -1.674 11.140 1.00 0.00 C ATOM 608 O ILE A 71 12.090 -0.919 11.676 1.00 0.00 O ATOM 609 CB ILE A 71 11.859 -1.655 8.713 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.420 -1.198 7.320 1.00 0.00 C ATOM 611 CG2 ILE A 71 12.219 -3.134 8.702 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.349 -2.073 6.706 1.00 0.00 C ATOM 0 H ILE A 71 10.834 0.680 10.108 1.00 0.00 H new ATOM 0 HA ILE A 71 9.900 -2.038 9.532 1.00 0.00 H new ATOM 0 HB ILE A 71 12.745 -1.088 8.999 1.00 0.00 H new ATOM 0 HG12 ILE A 71 11.050 -0.175 7.382 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.288 -1.184 6.661 1.00 0.00 H new ATOM 0 HG21 ILE A 71 13.008 -3.311 7.971 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.568 -3.431 9.691 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.339 -3.721 8.437 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.087 -1.690 5.720 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.722 -3.093 6.611 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.465 -2.068 7.344 1.00 0.00 H new ATOM 624 N ASP A 72 10.818 -2.774 11.725 1.00 0.00 N ATOM 625 CA ASP A 72 11.250 -3.167 13.061 1.00 0.00 C ATOM 626 C ASP A 72 12.754 -3.421 13.093 1.00 0.00 C ATOM 627 O ASP A 72 13.275 -4.219 12.315 1.00 0.00 O ATOM 628 CB ASP A 72 10.499 -4.420 13.515 1.00 0.00 C ATOM 629 CG ASP A 72 9.152 -4.097 14.131 1.00 0.00 C ATOM 630 OD1 ASP A 72 9.094 -3.187 14.985 1.00 0.00 O ATOM 631 OD2 ASP A 72 8.157 -4.754 13.761 1.00 0.00 O ATOM 0 H ASP A 72 10.146 -3.410 11.295 1.00 0.00 H new ATOM 0 HA ASP A 72 11.023 -2.349 13.745 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.355 -5.083 12.662 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.106 -4.961 14.240 1.00 0.00 H new ATOM 636 N SER A 73 13.446 -2.735 13.997 1.00 0.00 N ATOM 637 CA SER A 73 14.891 -2.882 14.127 1.00 0.00 C ATOM 638 C SER A 73 15.247 -4.237 14.732 1.00 0.00 C ATOM 639 O SER A 73 16.422 -4.568 14.895 1.00 0.00 O ATOM 640 CB SER A 73 15.463 -1.758 14.993 1.00 0.00 C ATOM 641 OG SER A 73 16.873 -1.686 14.868 1.00 0.00 O ATOM 0 H SER A 73 13.029 -2.072 14.650 1.00 0.00 H new ATOM 0 HA SER A 73 15.329 -2.822 13.131 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.020 -0.807 14.699 1.00 0.00 H new ATOM 0 HB3 SER A 73 15.195 -1.926 16.036 1.00 0.00 H new ATOM 0 HG SER A 73 17.241 -2.591 14.784 1.00 0.00 H new ATOM 647 N LEU A 74 14.223 -5.017 15.063 1.00 0.00 N ATOM 648 CA LEU A 74 14.426 -6.337 15.650 1.00 0.00 C ATOM 649 C LEU A 74 14.219 -7.433 14.610 1.00 0.00 C ATOM 650 O LEU A 74 15.098 -8.265 14.384 1.00 0.00 O ATOM 651 CB LEU A 74 13.470 -6.546 16.826 1.00 0.00 C ATOM 652 CG LEU A 74 13.639 -5.589 18.007 1.00 0.00 C ATOM 653 CD1 LEU A 74 12.502 -5.762 19.001 1.00 0.00 C ATOM 654 CD2 LEU A 74 14.983 -5.812 18.686 1.00 0.00 C ATOM 0 H LEU A 74 13.245 -4.758 14.935 1.00 0.00 H new ATOM 0 HA LEU A 74 15.453 -6.394 16.010 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.448 -6.459 16.457 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.592 -7.566 17.190 1.00 0.00 H new ATOM 0 HG LEU A 74 13.611 -4.567 17.629 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.639 -5.073 19.834 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.553 -5.551 18.508 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.498 -6.786 19.374 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.086 -5.123 19.524 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.041 -6.838 19.051 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.786 -5.636 17.970 1.00 0.00 H new ATOM 666 N THR A 75 13.049 -7.428 13.978 1.00 0.00 N ATOM 667 CA THR A 75 12.726 -8.421 12.961 1.00 0.00 C ATOM 668 C THR A 75 13.126 -7.936 11.572 1.00 0.00 C ATOM 669 O THR A 75 12.993 -8.662 10.587 1.00 0.00 O ATOM 670 CB THR A 75 11.223 -8.757 12.962 1.00 0.00 C ATOM 671 OG1 THR A 75 10.495 -7.748 12.252 1.00 0.00 O ATOM 672 CG2 THR A 75 10.693 -8.866 14.384 1.00 0.00 C ATOM 0 H THR A 75 12.310 -6.747 14.153 1.00 0.00 H new ATOM 0 HA THR A 75 13.292 -9.320 13.206 1.00 0.00 H new ATOM 0 HB THR A 75 11.088 -9.719 12.467 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.540 -7.970 12.256 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.630 -9.104 14.359 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.229 -9.654 14.913 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.840 -7.918 14.901 1.00 0.00 H new ATOM 680 N LYS A 76 13.617 -6.703 11.500 1.00 0.00 N ATOM 681 CA LYS A 76 14.039 -6.121 10.231 1.00 0.00 C ATOM 682 C LYS A 76 12.944 -6.258 9.179 1.00 0.00 C ATOM 683 O LYS A 76 13.226 -6.436 7.994 1.00 0.00 O ATOM 684 CB LYS A 76 15.322 -6.795 9.739 1.00 0.00 C ATOM 685 CG LYS A 76 16.465 -6.730 10.737 1.00 0.00 C ATOM 686 CD LYS A 76 17.187 -5.394 10.672 1.00 0.00 C ATOM 687 CE LYS A 76 18.614 -5.507 11.186 1.00 0.00 C ATOM 688 NZ LYS A 76 19.558 -5.929 10.113 1.00 0.00 N ATOM 0 H LYS A 76 13.732 -6.088 12.305 1.00 0.00 H new ATOM 0 HA LYS A 76 14.232 -5.060 10.392 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.109 -7.839 9.511 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.636 -6.323 8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.079 -6.887 11.744 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.171 -7.536 10.536 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.197 -5.034 9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.644 -4.656 11.262 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.931 -4.546 11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.649 -6.226 12.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.520 -5.994 10.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.270 -6.857 9.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.543 -5.230 9.343 1.00 0.00 H new ATOM 702 N LYS A 77 11.693 -6.172 9.618 1.00 0.00 N ATOM 703 CA LYS A 77 10.555 -6.283 8.714 1.00 0.00 C ATOM 704 C LYS A 77 9.484 -5.252 9.057 1.00 0.00 C ATOM 705 O LYS A 77 9.333 -4.839 10.207 1.00 0.00 O ATOM 706 CB LYS A 77 9.960 -7.692 8.780 1.00 0.00 C ATOM 707 CG LYS A 77 10.793 -8.738 8.060 1.00 0.00 C ATOM 708 CD LYS A 77 9.931 -9.873 7.534 1.00 0.00 C ATOM 709 CE LYS A 77 9.394 -10.736 8.666 1.00 0.00 C ATOM 710 NZ LYS A 77 10.477 -11.502 9.341 1.00 0.00 N ATOM 0 H LYS A 77 11.442 -6.026 10.596 1.00 0.00 H new ATOM 0 HA LYS A 77 10.908 -6.091 7.701 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.851 -7.983 9.825 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.960 -7.676 8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.327 -8.272 7.232 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.545 -9.137 8.741 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.099 -9.464 6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.516 -10.489 6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.887 -10.104 9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.650 -11.429 8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.058 -12.256 9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.102 -11.924 8.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.028 -10.862 9.948 1.00 0.00 H new ATOM 724 N PRO A 78 8.723 -4.827 8.039 1.00 0.00 N ATOM 725 CA PRO A 78 7.652 -3.840 8.209 1.00 0.00 C ATOM 726 C PRO A 78 6.467 -4.399 8.989 1.00 0.00 C ATOM 727 O PRO A 78 6.307 -5.614 9.110 1.00 0.00 O ATOM 728 CB PRO A 78 7.239 -3.513 6.772 1.00 0.00 C ATOM 729 CG PRO A 78 7.614 -4.722 5.986 1.00 0.00 C ATOM 730 CD PRO A 78 8.848 -5.276 6.642 1.00 0.00 C ATOM 0 HA PRO A 78 7.984 -2.973 8.779 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.170 -3.312 6.703 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.754 -2.626 6.404 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.808 -5.455 5.989 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.807 -4.466 4.944 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.887 -6.363 6.571 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.757 -4.894 6.177 1.00 0.00 H new ATOM 738 N LYS A 79 5.638 -3.505 9.518 1.00 0.00 N ATOM 739 CA LYS A 79 4.466 -3.909 10.286 1.00 0.00 C ATOM 740 C LYS A 79 3.254 -4.084 9.377 1.00 0.00 C ATOM 741 O LYS A 79 2.187 -4.504 9.823 1.00 0.00 O ATOM 742 CB LYS A 79 4.160 -2.872 11.369 1.00 0.00 C ATOM 743 CG LYS A 79 5.267 -2.720 12.398 1.00 0.00 C ATOM 744 CD LYS A 79 6.272 -1.659 11.982 1.00 0.00 C ATOM 745 CE LYS A 79 7.477 -1.638 12.911 1.00 0.00 C ATOM 746 NZ LYS A 79 8.283 -0.397 12.745 1.00 0.00 N ATOM 0 H LYS A 79 5.756 -2.496 9.429 1.00 0.00 H new ATOM 0 HA LYS A 79 4.684 -4.867 10.759 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.981 -1.907 10.895 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.238 -3.153 11.879 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.835 -2.455 13.363 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.777 -3.674 12.529 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.602 -1.849 10.961 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.792 -0.680 11.985 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.140 -1.717 13.945 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.104 -2.507 12.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.095 -0.421 13.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.626 -0.334 11.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.692 0.432 12.959 1.00 0.00 H new ATOM 760 N GLY A 80 3.426 -3.760 8.099 1.00 0.00 N ATOM 761 CA GLY A 80 2.338 -3.889 7.148 1.00 0.00 C ATOM 762 C GLY A 80 1.583 -2.590 6.950 1.00 0.00 C ATOM 763 O GLY A 80 0.359 -2.589 6.815 1.00 0.00 O ATOM 0 H GLY A 80 4.300 -3.410 7.706 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.735 -4.224 6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.647 -4.658 7.493 1.00 0.00 H new ATOM 767 N PHE A 81 2.313 -1.480 6.934 1.00 0.00 N ATOM 768 CA PHE A 81 1.704 -0.167 6.754 1.00 0.00 C ATOM 769 C PHE A 81 2.750 0.867 6.348 1.00 0.00 C ATOM 770 O PHE A 81 3.931 0.729 6.666 1.00 0.00 O ATOM 771 CB PHE A 81 1.006 0.276 8.042 1.00 0.00 C ATOM 772 CG PHE A 81 1.924 0.956 9.018 1.00 0.00 C ATOM 773 CD1 PHE A 81 2.166 2.317 8.928 1.00 0.00 C ATOM 774 CD2 PHE A 81 2.545 0.233 10.024 1.00 0.00 C ATOM 775 CE1 PHE A 81 3.009 2.946 9.824 1.00 0.00 C ATOM 776 CE2 PHE A 81 3.389 0.857 10.923 1.00 0.00 C ATOM 777 CZ PHE A 81 3.622 2.215 10.823 1.00 0.00 C ATOM 0 H PHE A 81 3.327 -1.463 7.043 1.00 0.00 H new ATOM 0 HA PHE A 81 0.965 -0.243 5.956 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.191 0.954 7.789 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.559 -0.595 8.522 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.690 2.893 8.148 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.368 -0.829 10.106 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.188 4.008 9.743 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.866 0.283 11.704 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.282 2.704 11.524 1.00 0.00 H new ATOM 787 N ALA A 82 2.307 1.902 5.642 1.00 0.00 N ATOM 788 CA ALA A 82 3.203 2.960 5.193 1.00 0.00 C ATOM 789 C ALA A 82 2.424 4.213 4.808 1.00 0.00 C ATOM 790 O ALA A 82 1.202 4.177 4.668 1.00 0.00 O ATOM 791 CB ALA A 82 4.044 2.477 4.020 1.00 0.00 C ATOM 0 H ALA A 82 1.333 2.030 5.369 1.00 0.00 H new ATOM 0 HA ALA A 82 3.866 3.216 6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.709 3.277 3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.637 1.616 4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.390 2.192 3.196 1.00 0.00 H new ATOM 797 N PHE A 83 3.140 5.320 4.638 1.00 0.00 N ATOM 798 CA PHE A 83 2.515 6.585 4.271 1.00 0.00 C ATOM 799 C PHE A 83 3.146 7.156 3.004 1.00 0.00 C ATOM 800 O PHE A 83 4.337 7.469 2.978 1.00 0.00 O ATOM 801 CB PHE A 83 2.641 7.592 5.416 1.00 0.00 C ATOM 802 CG PHE A 83 1.621 7.397 6.501 1.00 0.00 C ATOM 803 CD1 PHE A 83 1.789 6.409 7.458 1.00 0.00 C ATOM 804 CD2 PHE A 83 0.494 8.201 6.564 1.00 0.00 C ATOM 805 CE1 PHE A 83 0.852 6.227 8.457 1.00 0.00 C ATOM 806 CE2 PHE A 83 -0.447 8.023 7.561 1.00 0.00 C ATOM 807 CZ PHE A 83 -0.267 7.035 8.509 1.00 0.00 C ATOM 0 H PHE A 83 4.153 5.366 4.749 1.00 0.00 H new ATOM 0 HA PHE A 83 1.459 6.397 4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.639 7.515 5.848 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.544 8.601 5.014 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.662 5.774 7.423 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.349 8.976 5.826 1.00 0.00 H new ATOM 0 HE1 PHE A 83 0.995 5.453 9.197 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.322 8.656 7.598 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.000 6.894 9.290 1.00 0.00 H new ATOM 817 N VAL A 84 2.340 7.289 1.956 1.00 0.00 N ATOM 818 CA VAL A 84 2.818 7.822 0.686 1.00 0.00 C ATOM 819 C VAL A 84 2.373 9.268 0.495 1.00 0.00 C ATOM 820 O VAL A 84 1.213 9.609 0.728 1.00 0.00 O ATOM 821 CB VAL A 84 2.315 6.980 -0.502 1.00 0.00 C ATOM 822 CG1 VAL A 84 2.896 7.499 -1.808 1.00 0.00 C ATOM 823 CG2 VAL A 84 2.663 5.513 -0.299 1.00 0.00 C ATOM 0 H VAL A 84 1.352 7.035 1.961 1.00 0.00 H new ATOM 0 HA VAL A 84 3.907 7.780 0.715 1.00 0.00 H new ATOM 0 HB VAL A 84 1.230 7.069 -0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.530 6.892 -2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.592 8.535 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.984 7.442 -1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.300 4.932 -1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.745 5.403 -0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.194 5.151 0.616 1.00 0.00 H new ATOM 833 N THR A 85 3.304 10.116 0.068 1.00 0.00 N ATOM 834 CA THR A 85 3.008 11.526 -0.154 1.00 0.00 C ATOM 835 C THR A 85 3.313 11.931 -1.592 1.00 0.00 C ATOM 836 O THR A 85 4.471 11.953 -2.009 1.00 0.00 O ATOM 837 CB THR A 85 3.813 12.426 0.802 1.00 0.00 C ATOM 838 OG1 THR A 85 3.437 12.160 2.158 1.00 0.00 O ATOM 839 CG2 THR A 85 3.581 13.896 0.486 1.00 0.00 C ATOM 0 H THR A 85 4.269 9.851 -0.131 1.00 0.00 H new ATOM 0 HA THR A 85 1.944 11.661 0.041 1.00 0.00 H new ATOM 0 HB THR A 85 4.872 12.205 0.668 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.954 12.735 2.760 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.160 14.512 1.174 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.895 14.102 -0.537 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.522 14.129 0.594 1.00 0.00 H new ATOM 847 N PHE A 86 2.267 12.253 -2.345 1.00 0.00 N ATOM 848 CA PHE A 86 2.423 12.658 -3.737 1.00 0.00 C ATOM 849 C PHE A 86 2.695 14.156 -3.841 1.00 0.00 C ATOM 850 O PHE A 86 2.083 14.959 -3.138 1.00 0.00 O ATOM 851 CB PHE A 86 1.169 12.299 -4.538 1.00 0.00 C ATOM 852 CG PHE A 86 1.168 10.887 -5.049 1.00 0.00 C ATOM 853 CD1 PHE A 86 0.654 9.857 -4.277 1.00 0.00 C ATOM 854 CD2 PHE A 86 1.681 10.589 -6.301 1.00 0.00 C ATOM 855 CE1 PHE A 86 0.651 8.556 -4.744 1.00 0.00 C ATOM 856 CE2 PHE A 86 1.680 9.290 -6.774 1.00 0.00 C ATOM 857 CZ PHE A 86 1.166 8.272 -5.994 1.00 0.00 C ATOM 0 H PHE A 86 1.302 12.241 -2.015 1.00 0.00 H new ATOM 0 HA PHE A 86 3.277 12.122 -4.152 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.291 12.450 -3.910 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.079 12.983 -5.382 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.251 10.074 -3.299 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.086 11.380 -6.914 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.247 7.763 -4.133 1.00 0.00 H new ATOM 0 HE2 PHE A 86 2.081 9.071 -7.753 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.167 7.256 -6.361 1.00 0.00 H new ATOM 867 N MET A 87 3.619 14.524 -4.723 1.00 0.00 N ATOM 868 CA MET A 87 3.972 15.925 -4.919 1.00 0.00 C ATOM 869 C MET A 87 2.726 16.772 -5.156 1.00 0.00 C ATOM 870 O MET A 87 2.549 17.820 -4.535 1.00 0.00 O ATOM 871 CB MET A 87 4.933 16.069 -6.101 1.00 0.00 C ATOM 872 CG MET A 87 5.909 17.225 -5.952 1.00 0.00 C ATOM 873 SD MET A 87 6.875 17.515 -7.446 1.00 0.00 S ATOM 874 CE MET A 87 7.982 16.107 -7.413 1.00 0.00 C ATOM 0 H MET A 87 4.136 13.872 -5.313 1.00 0.00 H new ATOM 0 HA MET A 87 4.464 16.280 -4.014 1.00 0.00 H new ATOM 0 HB2 MET A 87 5.495 15.142 -6.217 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.355 16.208 -7.014 1.00 0.00 H new ATOM 0 HG2 MET A 87 5.358 18.131 -5.699 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.584 17.020 -5.121 1.00 0.00 H new ATOM 0 HE1 MET A 87 8.009 15.643 -8.399 1.00 0.00 H new ATOM 0 HE2 MET A 87 8.984 16.438 -7.140 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.627 15.382 -6.680 1.00 0.00 H new ATOM 884 N PHE A 88 1.865 16.311 -6.057 1.00 0.00 N ATOM 885 CA PHE A 88 0.636 17.028 -6.376 1.00 0.00 C ATOM 886 C PHE A 88 -0.589 16.216 -5.966 1.00 0.00 C ATOM 887 O PHE A 88 -0.577 14.985 -5.962 1.00 0.00 O ATOM 888 CB PHE A 88 0.576 17.340 -7.873 1.00 0.00 C ATOM 889 CG PHE A 88 1.819 18.001 -8.397 1.00 0.00 C ATOM 890 CD1 PHE A 88 2.913 17.243 -8.782 1.00 0.00 C ATOM 891 CD2 PHE A 88 1.893 19.380 -8.505 1.00 0.00 C ATOM 892 CE1 PHE A 88 4.058 17.847 -9.265 1.00 0.00 C ATOM 893 CE2 PHE A 88 3.036 19.991 -8.988 1.00 0.00 C ATOM 894 CZ PHE A 88 4.120 19.223 -9.367 1.00 0.00 C ATOM 0 H PHE A 88 1.996 15.444 -6.579 1.00 0.00 H new ATOM 0 HA PHE A 88 0.635 17.963 -5.816 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.407 16.414 -8.423 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.280 17.987 -8.067 1.00 0.00 H new ATOM 0 HD1 PHE A 88 2.870 16.167 -8.704 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.049 19.985 -8.209 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.903 17.244 -9.562 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.081 21.067 -9.069 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.014 19.698 -9.742 1.00 0.00 H new ATOM 904 N PRO A 89 -1.674 16.920 -5.611 1.00 0.00 N ATOM 905 CA PRO A 89 -2.928 16.287 -5.192 1.00 0.00 C ATOM 906 C PRO A 89 -3.638 15.589 -6.347 1.00 0.00 C ATOM 907 O PRO A 89 -4.221 14.519 -6.172 1.00 0.00 O ATOM 908 CB PRO A 89 -3.765 17.461 -4.681 1.00 0.00 C ATOM 909 CG PRO A 89 -3.229 18.651 -5.399 1.00 0.00 C ATOM 910 CD PRO A 89 -1.760 18.390 -5.592 1.00 0.00 C ATOM 0 HA PRO A 89 -2.763 15.508 -4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.824 17.314 -4.894 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.670 17.574 -3.601 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.730 18.788 -6.357 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.391 19.561 -4.822 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.393 18.826 -6.521 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.166 18.817 -4.784 1.00 0.00 H new ATOM 918 N GLU A 90 -3.585 16.201 -7.525 1.00 0.00 N ATOM 919 CA GLU A 90 -4.225 15.637 -8.708 1.00 0.00 C ATOM 920 C GLU A 90 -3.861 14.164 -8.873 1.00 0.00 C ATOM 921 O GLU A 90 -4.730 13.318 -9.084 1.00 0.00 O ATOM 922 CB GLU A 90 -3.815 16.418 -9.958 1.00 0.00 C ATOM 923 CG GLU A 90 -2.350 16.256 -10.324 1.00 0.00 C ATOM 924 CD GLU A 90 -1.873 17.310 -11.305 1.00 0.00 C ATOM 925 OE1 GLU A 90 -1.688 18.471 -10.884 1.00 0.00 O ATOM 926 OE2 GLU A 90 -1.686 16.974 -12.493 1.00 0.00 O ATOM 0 H GLU A 90 -3.106 17.087 -7.686 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.304 15.715 -8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.429 16.091 -10.798 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.027 17.476 -9.801 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.745 16.308 -9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.194 15.267 -10.755 1.00 0.00 H new ATOM 933 N HIS A 91 -2.569 13.865 -8.776 1.00 0.00 N ATOM 934 CA HIS A 91 -2.089 12.495 -8.915 1.00 0.00 C ATOM 935 C HIS A 91 -2.496 11.652 -7.710 1.00 0.00 C ATOM 936 O HIS A 91 -3.052 10.565 -7.861 1.00 0.00 O ATOM 937 CB HIS A 91 -0.568 12.478 -9.073 1.00 0.00 C ATOM 938 CG HIS A 91 -0.059 13.469 -10.074 1.00 0.00 C ATOM 939 ND1 HIS A 91 1.013 14.301 -9.831 1.00 0.00 N ATOM 940 CD2 HIS A 91 -0.481 13.757 -11.328 1.00 0.00 C ATOM 941 CE1 HIS A 91 1.228 15.060 -10.892 1.00 0.00 C ATOM 942 NE2 HIS A 91 0.335 14.748 -11.814 1.00 0.00 N ATOM 0 H HIS A 91 -1.836 14.553 -8.602 1.00 0.00 H new ATOM 0 HA HIS A 91 -2.544 12.066 -9.808 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.108 12.682 -8.106 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.253 11.478 -9.371 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.306 13.293 -11.849 1.00 0.00 H new ATOM 0 HE1 HIS A 91 2.002 15.807 -10.988 1.00 0.00 H new ATOM 0 HE2 HIS A 91 0.263 15.175 -12.738 1.00 0.00 H new ATOM 951 N ALA A 92 -2.215 12.161 -6.515 1.00 0.00 N ATOM 952 CA ALA A 92 -2.553 11.456 -5.285 1.00 0.00 C ATOM 953 C ALA A 92 -3.999 10.971 -5.310 1.00 0.00 C ATOM 954 O ALA A 92 -4.326 9.934 -4.734 1.00 0.00 O ATOM 955 CB ALA A 92 -2.317 12.354 -4.080 1.00 0.00 C ATOM 0 H ALA A 92 -1.754 13.060 -6.373 1.00 0.00 H new ATOM 0 HA ALA A 92 -1.905 10.583 -5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.574 11.814 -3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.268 12.647 -4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.940 13.244 -4.162 1.00 0.00 H new ATOM 961 N VAL A 93 -4.861 11.729 -5.981 1.00 0.00 N ATOM 962 CA VAL A 93 -6.272 11.376 -6.081 1.00 0.00 C ATOM 963 C VAL A 93 -6.479 10.207 -7.038 1.00 0.00 C ATOM 964 O VAL A 93 -7.235 9.279 -6.748 1.00 0.00 O ATOM 965 CB VAL A 93 -7.117 12.572 -6.558 1.00 0.00 C ATOM 966 CG1 VAL A 93 -8.562 12.150 -6.778 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.034 13.715 -5.558 1.00 0.00 C ATOM 0 H VAL A 93 -4.607 12.591 -6.463 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.598 11.086 -5.082 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.716 12.922 -7.509 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.144 13.008 -7.115 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.601 11.366 -7.534 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.978 11.774 -5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.637 14.552 -5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.409 13.380 -4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.997 14.033 -5.455 1.00 0.00 H new ATOM 977 N LYS A 94 -5.803 10.258 -8.181 1.00 0.00 N ATOM 978 CA LYS A 94 -5.910 9.203 -9.182 1.00 0.00 C ATOM 979 C LYS A 94 -5.516 7.853 -8.593 1.00 0.00 C ATOM 980 O LYS A 94 -6.157 6.837 -8.862 1.00 0.00 O ATOM 981 CB LYS A 94 -5.025 9.524 -10.387 1.00 0.00 C ATOM 982 CG LYS A 94 -4.970 8.408 -11.416 1.00 0.00 C ATOM 983 CD LYS A 94 -3.707 8.488 -12.258 1.00 0.00 C ATOM 984 CE LYS A 94 -3.695 7.424 -13.346 1.00 0.00 C ATOM 985 NZ LYS A 94 -2.815 7.805 -14.485 1.00 0.00 N ATOM 0 H LYS A 94 -5.175 11.020 -8.437 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.949 9.148 -9.507 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.393 10.431 -10.866 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.014 9.736 -10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.011 7.443 -10.910 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.845 8.466 -12.064 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.633 9.476 -12.713 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.833 8.366 -11.618 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.355 6.478 -12.925 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.710 7.264 -13.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.834 7.054 -15.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.154 8.695 -14.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.841 7.932 -14.144 1.00 0.00 H new ATOM 999 N ALA A 95 -4.459 7.849 -7.788 1.00 0.00 N ATOM 1000 CA ALA A 95 -3.982 6.623 -7.159 1.00 0.00 C ATOM 1001 C ALA A 95 -4.999 6.089 -6.156 1.00 0.00 C ATOM 1002 O ALA A 95 -5.265 4.888 -6.106 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.643 6.866 -6.477 1.00 0.00 C ATOM 0 H ALA A 95 -3.916 8.681 -7.556 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.850 5.872 -7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.299 5.942 -6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.912 7.194 -7.216 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.758 7.636 -5.714 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.565 6.989 -5.359 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.551 6.607 -4.355 1.00 0.00 C ATOM 1011 C TYR A 96 -7.818 6.068 -5.013 1.00 0.00 C ATOM 1012 O TYR A 96 -8.591 5.340 -4.391 1.00 0.00 O ATOM 1013 CB TYR A 96 -6.894 7.804 -3.466 1.00 0.00 C ATOM 1014 CG TYR A 96 -8.248 7.696 -2.802 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -8.471 6.782 -1.780 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -9.305 8.507 -3.197 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.707 6.679 -1.170 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -10.543 8.413 -2.593 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.739 7.497 -1.580 1.00 0.00 C ATOM 1020 OH TYR A 96 -11.972 7.399 -0.976 1.00 0.00 O ATOM 0 H TYR A 96 -5.358 7.987 -5.389 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.119 5.818 -3.740 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -6.128 7.906 -2.697 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.865 8.713 -4.067 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.665 6.141 -1.456 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.155 9.224 -3.991 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.864 5.962 -0.377 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.353 9.053 -2.912 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.587 8.046 -1.381 1.00 0.00 H new ATOM 1030 N ALA A 97 -8.021 6.430 -6.275 1.00 0.00 N ATOM 1031 CA ALA A 97 -9.191 5.981 -7.019 1.00 0.00 C ATOM 1032 C ALA A 97 -8.973 4.586 -7.596 1.00 0.00 C ATOM 1033 O ALA A 97 -9.915 3.806 -7.730 1.00 0.00 O ATOM 1034 CB ALA A 97 -9.521 6.968 -8.129 1.00 0.00 C ATOM 0 H ALA A 97 -7.391 7.033 -6.804 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.033 5.932 -6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.397 6.620 -8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.729 7.946 -7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.674 7.045 -8.811 1.00 0.00 H new ATOM 1040 N GLU A 98 -7.725 4.280 -7.937 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.385 2.979 -8.501 1.00 0.00 C ATOM 1042 C GLU A 98 -6.835 2.047 -7.426 1.00 0.00 C ATOM 1043 O GLU A 98 -7.390 0.976 -7.174 1.00 0.00 O ATOM 1044 CB GLU A 98 -6.360 3.139 -9.626 1.00 0.00 C ATOM 1045 CG GLU A 98 -6.924 3.794 -10.875 1.00 0.00 C ATOM 1046 CD GLU A 98 -7.573 2.797 -11.815 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -6.927 1.778 -12.138 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -8.727 3.036 -12.228 1.00 0.00 O ATOM 0 H GLU A 98 -6.933 4.915 -7.833 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.295 2.539 -8.908 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.522 3.733 -9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.964 2.158 -9.888 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.658 4.546 -10.586 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.124 4.315 -11.400 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.741 2.460 -6.794 1.00 0.00 N ATOM 1056 CA VAL A 99 -5.116 1.663 -5.746 1.00 0.00 C ATOM 1057 C VAL A 99 -6.149 1.174 -4.738 1.00 0.00 C ATOM 1058 O VAL A 99 -6.396 -0.027 -4.620 1.00 0.00 O ATOM 1059 CB VAL A 99 -4.031 2.465 -5.003 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.414 1.628 -3.893 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -2.964 2.945 -5.976 1.00 0.00 C ATOM 0 H VAL A 99 -5.269 3.343 -6.990 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.654 0.805 -6.234 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.497 3.340 -4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.650 2.211 -3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.188 1.339 -3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.961 0.733 -4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.205 3.510 -5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.500 2.086 -6.460 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.421 3.584 -6.732 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.751 2.110 -4.013 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.760 1.775 -3.015 1.00 0.00 C ATOM 1073 C ASP A 100 -8.588 0.573 -3.462 1.00 0.00 C ATOM 1074 O ASP A 100 -9.579 0.721 -4.175 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.675 2.973 -2.760 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.649 2.727 -1.625 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -9.244 2.109 -0.619 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -10.817 3.154 -1.743 1.00 0.00 O ATOM 0 H ASP A 100 -6.558 3.108 -4.098 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.247 1.517 -2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.067 3.848 -2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.231 3.201 -3.669 1.00 0.00 H new ATOM 1083 N GLY A 101 -8.171 -0.616 -3.038 1.00 0.00 N ATOM 1084 CA GLY A 101 -8.885 -1.826 -3.406 1.00 0.00 C ATOM 1085 C GLY A 101 -8.045 -2.759 -4.255 1.00 0.00 C ATOM 1086 O GLY A 101 -8.559 -3.721 -4.824 1.00 0.00 O ATOM 0 H GLY A 101 -7.353 -0.764 -2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.200 -2.347 -2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.790 -1.559 -3.952 1.00 0.00 H new ATOM 1090 N GLN A 102 -6.749 -2.473 -4.341 1.00 0.00 N ATOM 1091 CA GLN A 102 -5.838 -3.294 -5.129 1.00 0.00 C ATOM 1092 C GLN A 102 -5.157 -4.343 -4.257 1.00 0.00 C ATOM 1093 O GLN A 102 -5.186 -4.259 -3.029 1.00 0.00 O ATOM 1094 CB GLN A 102 -4.784 -2.416 -5.807 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.727 -1.886 -4.851 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.384 -1.679 -5.522 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -2.160 -0.478 -6.042 1.00 0.00 O flip ATOM 1098 NE2 GLN A 102 -1.556 -2.590 -5.574 1.00 0.00 N flip ATOM 0 H GLN A 102 -6.308 -1.680 -3.875 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.421 -3.807 -5.894 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.295 -2.991 -6.593 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.280 -1.574 -6.290 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.067 -0.941 -4.428 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.611 -2.583 -4.021 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.770 -3.498 -5.161 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.657 -2.436 -6.030 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.545 -5.333 -4.899 1.00 0.00 N ATOM 1108 CA VAL A 103 -3.856 -6.399 -4.182 1.00 0.00 C ATOM 1109 C VAL A 103 -2.369 -6.416 -4.517 1.00 0.00 C ATOM 1110 O VAL A 103 -1.984 -6.347 -5.684 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.460 -7.778 -4.509 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.773 -8.868 -3.702 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -5.960 -7.777 -4.252 1.00 0.00 C ATOM 0 H VAL A 103 -4.512 -5.419 -5.915 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.984 -6.197 -3.118 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.296 -7.985 -5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.214 -9.834 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.710 -8.883 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.902 -8.669 -2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.370 -8.759 -4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.149 -7.547 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.436 -7.024 -4.880 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.537 -6.508 -3.485 1.00 0.00 N ATOM 1124 CA PHE A 104 -0.090 -6.533 -3.669 1.00 0.00 C ATOM 1125 C PHE A 104 0.535 -7.697 -2.906 1.00 0.00 C ATOM 1126 O PHE A 104 0.556 -7.705 -1.676 1.00 0.00 O ATOM 1127 CB PHE A 104 0.527 -5.212 -3.204 1.00 0.00 C ATOM 1128 CG PHE A 104 1.811 -4.871 -3.905 1.00 0.00 C ATOM 1129 CD1 PHE A 104 1.879 -4.863 -5.289 1.00 0.00 C ATOM 1130 CD2 PHE A 104 2.950 -4.559 -3.180 1.00 0.00 C ATOM 1131 CE1 PHE A 104 3.058 -4.549 -5.937 1.00 0.00 C ATOM 1132 CE2 PHE A 104 4.132 -4.244 -3.823 1.00 0.00 C ATOM 1133 CZ PHE A 104 4.187 -4.240 -5.203 1.00 0.00 C ATOM 0 H PHE A 104 -1.840 -6.566 -2.513 1.00 0.00 H new ATOM 0 HA PHE A 104 0.114 -6.667 -4.731 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.191 -4.408 -3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.711 -5.264 -2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.000 -5.105 -5.868 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.914 -4.562 -2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.097 -4.545 -7.016 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.012 -4.001 -3.247 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.110 -3.996 -5.707 1.00 0.00 H new ATOM 1143 N GLN A 105 1.043 -8.677 -3.646 1.00 0.00 N ATOM 1144 CA GLN A 105 1.668 -9.846 -3.039 1.00 0.00 C ATOM 1145 C GLN A 105 0.677 -10.595 -2.154 1.00 0.00 C ATOM 1146 O GLN A 105 1.025 -11.057 -1.068 1.00 0.00 O ATOM 1147 CB GLN A 105 2.890 -9.430 -2.219 1.00 0.00 C ATOM 1148 CG GLN A 105 3.932 -8.669 -3.023 1.00 0.00 C ATOM 1149 CD GLN A 105 4.678 -9.557 -3.999 1.00 0.00 C ATOM 1150 OE1 GLN A 105 4.247 -10.670 -4.298 1.00 0.00 O ATOM 1151 NE2 GLN A 105 5.806 -9.067 -4.501 1.00 0.00 N ATOM 0 H GLN A 105 1.034 -8.685 -4.666 1.00 0.00 H new ATOM 0 HA GLN A 105 1.988 -10.513 -3.840 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.563 -8.810 -1.384 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.351 -10.321 -1.793 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.445 -7.862 -3.571 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.645 -8.206 -2.341 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.126 -8.139 -4.225 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.352 -9.619 -5.162 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.561 -10.712 -2.626 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.583 -11.405 -1.864 1.00 0.00 C ATOM 1162 C GLY A 106 -1.997 -10.642 -0.621 1.00 0.00 C ATOM 1163 O GLY A 106 -2.429 -11.238 0.365 1.00 0.00 O ATOM 0 H GLY A 106 -0.874 -10.339 -3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.457 -11.566 -2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.213 -12.389 -1.576 1.00 0.00 H new ATOM 1167 N ARG A 107 -1.862 -9.321 -0.667 1.00 0.00 N ATOM 1168 CA ARG A 107 -2.222 -8.477 0.465 1.00 0.00 C ATOM 1169 C ARG A 107 -3.114 -7.321 0.020 1.00 0.00 C ATOM 1170 O ARG A 107 -2.671 -6.421 -0.692 1.00 0.00 O ATOM 1171 CB ARG A 107 -0.964 -7.931 1.143 1.00 0.00 C ATOM 1172 CG ARG A 107 -0.422 -8.835 2.239 1.00 0.00 C ATOM 1173 CD ARG A 107 -1.229 -8.701 3.521 1.00 0.00 C ATOM 1174 NE ARG A 107 -1.146 -9.901 4.348 1.00 0.00 N ATOM 1175 CZ ARG A 107 -1.525 -9.945 5.621 1.00 0.00 C ATOM 1176 NH1 ARG A 107 -2.010 -8.860 6.208 1.00 0.00 N ATOM 1177 NH2 ARG A 107 -1.418 -11.075 6.307 1.00 0.00 N ATOM 0 H ARG A 107 -1.506 -8.812 -1.476 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.775 -9.088 1.178 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.190 -7.783 0.390 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.186 -6.952 1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.443 -9.871 1.901 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.620 -8.585 2.436 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.867 -7.844 4.089 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.272 -8.503 3.274 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.777 -10.753 3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.093 -7.990 5.683 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -2.300 -8.895 7.185 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -1.045 -11.911 5.858 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.709 -11.108 7.284 1.00 0.00 H new ATOM 1191 N MET A 108 -4.373 -7.355 0.444 1.00 0.00 N ATOM 1192 CA MET A 108 -5.327 -6.311 0.090 1.00 0.00 C ATOM 1193 C MET A 108 -4.873 -4.956 0.623 1.00 0.00 C ATOM 1194 O MET A 108 -4.628 -4.799 1.820 1.00 0.00 O ATOM 1195 CB MET A 108 -6.714 -6.649 0.639 1.00 0.00 C ATOM 1196 CG MET A 108 -7.560 -7.478 -0.315 1.00 0.00 C ATOM 1197 SD MET A 108 -7.760 -6.694 -1.926 1.00 0.00 S ATOM 1198 CE MET A 108 -8.533 -5.148 -1.457 1.00 0.00 C ATOM 0 H MET A 108 -4.756 -8.094 1.033 1.00 0.00 H new ATOM 0 HA MET A 108 -5.379 -6.255 -0.997 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.602 -7.192 1.578 1.00 0.00 H new ATOM 0 HB3 MET A 108 -7.241 -5.723 0.868 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.099 -8.457 -0.446 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.542 -7.645 0.128 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.975 -4.681 -2.337 1.00 0.00 H new ATOM 0 HE2 MET A 108 -9.311 -5.340 -0.718 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.784 -4.482 -1.030 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.761 -3.980 -0.271 1.00 0.00 N ATOM 1209 CA LEU A 109 -4.336 -2.637 0.110 1.00 0.00 C ATOM 1210 C LEU A 109 -5.539 -1.720 0.307 1.00 0.00 C ATOM 1211 O LEU A 109 -6.344 -1.530 -0.606 1.00 0.00 O ATOM 1212 CB LEU A 109 -3.405 -2.055 -0.954 1.00 0.00 C ATOM 1213 CG LEU A 109 -2.179 -2.898 -1.308 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -1.383 -2.240 -2.424 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -1.305 -3.109 -0.080 1.00 0.00 C ATOM 0 H LEU A 109 -4.959 -4.093 -1.265 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.798 -2.707 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.983 -1.891 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.063 -1.078 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.520 -3.872 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.515 -2.854 -2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.011 -2.141 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.052 -1.253 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.437 -3.711 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.973 -2.143 0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.878 -3.624 0.690 1.00 0.00 H new ATOM 1227 N HIS A 110 -5.654 -1.152 1.503 1.00 0.00 N ATOM 1228 CA HIS A 110 -6.757 -0.252 1.819 1.00 0.00 C ATOM 1229 C HIS A 110 -6.270 1.190 1.917 1.00 0.00 C ATOM 1230 O HIS A 110 -5.722 1.603 2.939 1.00 0.00 O ATOM 1231 CB HIS A 110 -7.424 -0.669 3.131 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.901 -2.088 3.136 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -7.436 -3.181 2.486 1.00 0.00 N flip ATOM 1234 CD2 HIS A 110 -8.985 -2.515 3.873 1.00 0.00 C flip ATOM 1235 CE1 HIS A 110 -8.238 -4.237 2.840 1.00 0.00 C flip ATOM 1236 NE2 HIS A 110 -9.165 -3.809 3.678 1.00 0.00 N flip ATOM 0 H HIS A 110 -4.997 -1.299 2.269 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.488 -0.316 1.013 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.717 -0.529 3.949 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -8.270 -0.009 3.325 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.592 -1.889 4.510 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -8.129 -5.253 2.490 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -9.896 -4.380 4.102 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.474 1.953 0.848 1.00 0.00 N ATOM 1246 CA VAL A 111 -6.057 3.350 0.814 1.00 0.00 C ATOM 1247 C VAL A 111 -7.164 4.267 1.319 1.00 0.00 C ATOM 1248 O VAL A 111 -8.286 4.244 0.810 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.657 3.781 -0.609 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -4.983 5.145 -0.584 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.749 2.740 -1.246 1.00 0.00 C ATOM 0 H VAL A 111 -6.926 1.627 -0.006 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.191 3.438 1.469 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.561 3.860 -1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.707 5.433 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.671 5.883 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.088 5.097 0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.476 3.061 -2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.847 2.627 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.272 1.785 -1.300 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.844 5.075 2.324 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.812 6.002 2.899 1.00 0.00 C ATOM 1263 C LEU A 112 -7.384 7.448 2.669 1.00 0.00 C ATOM 1264 O LEU A 112 -6.199 7.781 2.686 1.00 0.00 O ATOM 1265 CB LEU A 112 -7.972 5.738 4.397 1.00 0.00 C ATOM 1266 CG LEU A 112 -8.908 4.591 4.780 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -10.319 4.863 4.282 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -8.390 3.272 4.225 1.00 0.00 C ATOM 0 H LEU A 112 -5.921 5.107 2.758 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.770 5.843 2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.987 5.532 4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.336 6.650 4.870 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.936 4.519 5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.970 4.036 4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.691 5.786 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.309 4.963 3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.068 2.467 4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.331 3.333 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.399 3.070 4.631 1.00 0.00 H new ATOM 1280 N PRO A 113 -8.371 8.330 2.451 1.00 0.00 N ATOM 1281 CA PRO A 113 -8.122 9.755 2.216 1.00 0.00 C ATOM 1282 C PRO A 113 -7.626 10.471 3.468 1.00 0.00 C ATOM 1283 O PRO A 113 -8.227 10.360 4.537 1.00 0.00 O ATOM 1284 CB PRO A 113 -9.494 10.292 1.801 1.00 0.00 C ATOM 1285 CG PRO A 113 -10.471 9.352 2.419 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.806 8.003 2.417 1.00 0.00 C ATOM 0 HA PRO A 113 -7.344 9.915 1.470 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -9.645 11.311 2.158 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.599 10.315 0.716 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.722 9.662 3.433 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -11.402 9.329 1.853 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -10.103 7.407 3.280 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -10.066 7.428 1.528 1.00 0.00 H new ATOM 1294 N SER A 114 -6.527 11.206 3.328 1.00 0.00 N ATOM 1295 CA SER A 114 -5.950 11.937 4.450 1.00 0.00 C ATOM 1296 C SER A 114 -5.652 13.382 4.060 1.00 0.00 C ATOM 1297 O SER A 114 -5.295 13.669 2.917 1.00 0.00 O ATOM 1298 CB SER A 114 -4.668 11.252 4.927 1.00 0.00 C ATOM 1299 OG SER A 114 -4.011 12.029 5.914 1.00 0.00 O ATOM 0 H SER A 114 -6.019 11.311 2.450 1.00 0.00 H new ATOM 0 HA SER A 114 -6.676 11.940 5.263 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.907 10.269 5.333 1.00 0.00 H new ATOM 0 HB3 SER A 114 -4.000 11.094 4.080 1.00 0.00 H new ATOM 0 HG SER A 114 -3.196 11.569 6.204 1.00 0.00 H new ATOM 1305 N THR A 115 -5.803 14.290 5.020 1.00 0.00 N ATOM 1306 CA THR A 115 -5.552 15.706 4.778 1.00 0.00 C ATOM 1307 C THR A 115 -4.875 16.356 5.979 1.00 0.00 C ATOM 1308 O THR A 115 -4.861 15.795 7.075 1.00 0.00 O ATOM 1309 CB THR A 115 -6.857 16.462 4.467 1.00 0.00 C ATOM 1310 OG1 THR A 115 -7.818 16.229 5.503 1.00 0.00 O ATOM 1311 CG2 THR A 115 -7.432 16.023 3.129 1.00 0.00 C ATOM 0 H THR A 115 -6.098 14.070 5.971 1.00 0.00 H new ATOM 0 HA THR A 115 -4.891 15.768 3.914 1.00 0.00 H new ATOM 0 HB THR A 115 -6.629 17.527 4.415 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.644 16.715 5.298 1.00 0.00 H new ATOM 0 HG21 THR A 115 -8.353 16.571 2.932 1.00 0.00 H new ATOM 0 HG22 THR A 115 -6.711 16.229 2.338 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.644 14.954 3.157 1.00 0.00 H new ATOM 1319 N ILE A 116 -4.317 17.543 5.766 1.00 0.00 N ATOM 1320 CA ILE A 116 -3.639 18.270 6.833 1.00 0.00 C ATOM 1321 C ILE A 116 -4.619 18.677 7.928 1.00 0.00 C ATOM 1322 O ILE A 116 -5.582 19.401 7.678 1.00 0.00 O ATOM 1323 CB ILE A 116 -2.935 19.530 6.296 1.00 0.00 C ATOM 1324 CG1 ILE A 116 -2.030 19.171 5.116 1.00 0.00 C ATOM 1325 CG2 ILE A 116 -2.134 20.201 7.401 1.00 0.00 C ATOM 1326 CD1 ILE A 116 -1.001 18.112 5.444 1.00 0.00 C ATOM 0 H ILE A 116 -4.321 18.022 4.865 1.00 0.00 H new ATOM 0 HA ILE A 116 -2.891 17.595 7.250 1.00 0.00 H new ATOM 0 HB ILE A 116 -3.693 20.231 5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -2.647 18.822 4.288 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -1.518 20.071 4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -1.642 21.090 7.006 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -2.803 20.487 8.213 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.382 19.508 7.778 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -0.395 17.908 4.561 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.359 18.466 6.251 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -1.506 17.198 5.757 1.00 0.00 H new ATOM 1338 N LYS A 117 -4.365 18.207 9.145 1.00 0.00 N ATOM 1339 CA LYS A 117 -5.222 18.523 10.282 1.00 0.00 C ATOM 1340 C LYS A 117 -4.989 19.954 10.757 1.00 0.00 C ATOM 1341 O LYS A 117 -3.904 20.294 11.230 1.00 0.00 O ATOM 1342 CB LYS A 117 -4.962 17.545 11.430 1.00 0.00 C ATOM 1343 CG LYS A 117 -6.067 17.524 12.472 1.00 0.00 C ATOM 1344 CD LYS A 117 -5.975 16.293 13.358 1.00 0.00 C ATOM 1345 CE LYS A 117 -5.028 16.516 14.527 1.00 0.00 C ATOM 1346 NZ LYS A 117 -5.596 17.463 15.527 1.00 0.00 N ATOM 0 H LYS A 117 -3.572 17.606 9.369 1.00 0.00 H new ATOM 0 HA LYS A 117 -6.259 18.429 9.961 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.840 16.542 11.021 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.022 17.808 11.915 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -6.005 18.422 13.087 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -7.037 17.544 11.975 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -6.966 16.040 13.735 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -5.632 15.443 12.768 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -4.816 15.562 15.010 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -4.079 16.904 14.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -5.111 17.338 16.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -5.463 18.440 15.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -6.612 17.274 15.647 1.00 0.00 H new ATOM 1360 N LYS A 118 -6.015 20.789 10.630 1.00 0.00 N ATOM 1361 CA LYS A 118 -5.924 22.183 11.049 1.00 0.00 C ATOM 1362 C LYS A 118 -7.290 22.859 10.991 1.00 0.00 C ATOM 1363 O LYS A 118 -8.006 22.745 9.996 1.00 0.00 O ATOM 1364 CB LYS A 118 -4.930 22.939 10.164 1.00 0.00 C ATOM 1365 CG LYS A 118 -4.263 24.111 10.863 1.00 0.00 C ATOM 1366 CD LYS A 118 -5.085 25.382 10.728 1.00 0.00 C ATOM 1367 CE LYS A 118 -4.652 26.435 11.736 1.00 0.00 C ATOM 1368 NZ LYS A 118 -5.276 27.758 11.459 1.00 0.00 N ATOM 0 H LYS A 118 -6.920 20.524 10.240 1.00 0.00 H new ATOM 0 HA LYS A 118 -5.572 22.204 12.080 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -4.162 22.246 9.821 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -5.449 23.303 9.278 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -4.125 23.876 11.918 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.271 24.271 10.440 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -4.980 25.779 9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -6.140 25.151 10.872 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.923 26.109 12.740 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.567 26.534 11.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -4.956 28.448 12.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.998 28.081 10.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -6.311 27.670 11.505 1.00 0.00 H new ATOM 1382 N GLU A 119 -7.643 23.562 12.062 1.00 0.00 N ATOM 1383 CA GLU A 119 -8.924 24.256 12.130 1.00 0.00 C ATOM 1384 C GLU A 119 -8.937 25.262 13.278 1.00 0.00 C ATOM 1385 O GLU A 119 -8.466 24.971 14.377 1.00 0.00 O ATOM 1386 CB GLU A 119 -10.065 23.252 12.304 1.00 0.00 C ATOM 1387 CG GLU A 119 -11.420 23.790 11.873 1.00 0.00 C ATOM 1388 CD GLU A 119 -12.567 22.900 12.313 1.00 0.00 C ATOM 1389 OE1 GLU A 119 -12.391 21.664 12.316 1.00 0.00 O ATOM 1390 OE2 GLU A 119 -13.640 23.440 12.654 1.00 0.00 O ATOM 0 H GLU A 119 -7.061 23.666 12.893 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.066 24.797 11.194 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.839 22.355 11.727 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -10.118 22.953 13.351 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -11.559 24.788 12.288 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.439 23.891 10.788 1.00 0.00 H new ATOM 1397 N ALA A 120 -9.480 26.446 13.014 1.00 0.00 N ATOM 1398 CA ALA A 120 -9.556 27.494 14.024 1.00 0.00 C ATOM 1399 C ALA A 120 -10.706 28.452 13.735 1.00 0.00 C ATOM 1400 O ALA A 120 -10.957 28.807 12.583 1.00 0.00 O ATOM 1401 CB ALA A 120 -8.239 28.252 14.098 1.00 0.00 C ATOM 0 H ALA A 120 -9.874 26.703 12.109 1.00 0.00 H new ATOM 0 HA ALA A 120 -9.745 27.023 14.988 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -8.310 29.032 14.856 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -7.437 27.563 14.361 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -8.025 28.706 13.130 1.00 0.00 H new ATOM 1407 N SER A 121 -11.403 28.868 14.788 1.00 0.00 N ATOM 1408 CA SER A 121 -12.530 29.783 14.646 1.00 0.00 C ATOM 1409 C SER A 121 -12.053 31.232 14.620 1.00 0.00 C ATOM 1410 O SER A 121 -11.850 31.848 15.666 1.00 0.00 O ATOM 1411 CB SER A 121 -13.524 29.582 15.791 1.00 0.00 C ATOM 1412 OG SER A 121 -14.677 30.385 15.612 1.00 0.00 O ATOM 0 H SER A 121 -11.207 28.586 15.748 1.00 0.00 H new ATOM 0 HA SER A 121 -13.027 29.565 13.701 1.00 0.00 H new ATOM 0 HB2 SER A 121 -13.813 28.532 15.846 1.00 0.00 H new ATOM 0 HB3 SER A 121 -13.047 29.831 16.739 1.00 0.00 H new ATOM 0 HG SER A 121 -15.297 30.237 16.356 1.00 0.00 H new ATOM 1418 N GLN A 122 -11.877 31.769 13.417 1.00 0.00 N ATOM 1419 CA GLN A 122 -11.424 33.145 13.254 1.00 0.00 C ATOM 1420 C GLN A 122 -12.335 33.909 12.299 1.00 0.00 C ATOM 1421 O GLN A 122 -12.243 33.754 11.081 1.00 0.00 O ATOM 1422 CB GLN A 122 -9.984 33.172 12.736 1.00 0.00 C ATOM 1423 CG GLN A 122 -9.691 32.103 11.697 1.00 0.00 C ATOM 1424 CD GLN A 122 -8.208 31.828 11.544 1.00 0.00 C ATOM 1425 OE1 GLN A 122 -7.831 30.557 11.617 1.00 0.00 O flip ATOM 1426 NE2 GLN A 122 -7.410 32.748 11.363 1.00 0.00 N flip ATOM 0 H GLN A 122 -12.041 31.272 12.541 1.00 0.00 H new ATOM 0 HA GLN A 122 -11.461 33.631 14.229 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -9.780 34.152 12.304 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -9.302 33.046 13.577 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -10.201 31.181 11.977 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.100 32.414 10.736 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -7.744 33.710 11.314 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -6.415 32.548 11.263 1.00 0.00 H new ATOM 1435 N SER A 123 -13.214 34.733 12.859 1.00 0.00 N ATOM 1436 CA SER A 123 -14.145 35.518 12.057 1.00 0.00 C ATOM 1437 C SER A 123 -14.054 36.999 12.413 1.00 0.00 C ATOM 1438 O SER A 123 -13.758 37.358 13.552 1.00 0.00 O ATOM 1439 CB SER A 123 -15.576 35.019 12.265 1.00 0.00 C ATOM 1440 OG SER A 123 -15.963 35.129 13.624 1.00 0.00 O ATOM 0 H SER A 123 -13.301 34.875 13.865 1.00 0.00 H new ATOM 0 HA SER A 123 -13.874 35.397 11.008 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.259 35.595 11.641 1.00 0.00 H new ATOM 0 HB3 SER A 123 -15.652 33.980 11.945 1.00 0.00 H new ATOM 0 HG SER A 123 -16.882 34.805 13.730 1.00 0.00 H new ATOM 1446 N GLY A 124 -14.311 37.855 11.429 1.00 0.00 N ATOM 1447 CA GLY A 124 -14.253 39.287 11.656 1.00 0.00 C ATOM 1448 C GLY A 124 -13.796 40.051 10.430 1.00 0.00 C ATOM 1449 O GLY A 124 -13.033 39.545 9.605 1.00 0.00 O ATOM 0 H GLY A 124 -14.559 37.582 10.478 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -15.238 39.644 11.956 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -13.573 39.493 12.483 1.00 0.00 H new ATOM 1453 N PRO A 125 -14.268 41.299 10.295 1.00 0.00 N ATOM 1454 CA PRO A 125 -13.917 42.160 9.162 1.00 0.00 C ATOM 1455 C PRO A 125 -12.461 42.611 9.206 1.00 0.00 C ATOM 1456 O PRO A 125 -11.772 42.421 10.208 1.00 0.00 O ATOM 1457 CB PRO A 125 -14.854 43.360 9.325 1.00 0.00 C ATOM 1458 CG PRO A 125 -15.171 43.398 10.780 1.00 0.00 C ATOM 1459 CD PRO A 125 -15.180 41.966 11.239 1.00 0.00 C ATOM 0 HA PRO A 125 -14.026 41.643 8.208 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -14.375 44.283 9.000 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -15.757 43.242 8.726 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.428 43.978 11.326 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -16.137 43.871 10.957 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -14.833 41.872 12.268 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -16.182 41.538 11.200 1.00 0.00 H new ATOM 1467 N SER A 126 -11.999 43.210 8.113 1.00 0.00 N ATOM 1468 CA SER A 126 -10.623 43.685 8.025 1.00 0.00 C ATOM 1469 C SER A 126 -10.583 45.188 7.765 1.00 0.00 C ATOM 1470 O SER A 126 -9.837 45.922 8.413 1.00 0.00 O ATOM 1471 CB SER A 126 -9.874 42.944 6.917 1.00 0.00 C ATOM 1472 OG SER A 126 -9.519 41.635 7.328 1.00 0.00 O ATOM 0 H SER A 126 -12.557 43.378 7.276 1.00 0.00 H new ATOM 0 HA SER A 126 -10.135 43.485 8.979 1.00 0.00 H new ATOM 0 HB2 SER A 126 -10.498 42.892 6.025 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.976 43.500 6.646 1.00 0.00 H new ATOM 0 HG SER A 126 -9.043 41.182 6.601 1.00 0.00 H new ATOM 1478 N SER A 127 -11.391 45.638 6.811 1.00 0.00 N ATOM 1479 CA SER A 127 -11.446 47.053 6.460 1.00 0.00 C ATOM 1480 C SER A 127 -12.884 47.562 6.483 1.00 0.00 C ATOM 1481 O SER A 127 -13.658 47.313 5.559 1.00 0.00 O ATOM 1482 CB SER A 127 -10.834 47.281 5.077 1.00 0.00 C ATOM 1483 OG SER A 127 -9.439 47.513 5.169 1.00 0.00 O ATOM 0 H SER A 127 -12.017 45.044 6.267 1.00 0.00 H new ATOM 0 HA SER A 127 -10.870 47.609 7.200 1.00 0.00 H new ATOM 0 HB2 SER A 127 -11.021 46.412 4.446 1.00 0.00 H new ATOM 0 HB3 SER A 127 -11.317 48.133 4.598 1.00 0.00 H new ATOM 0 HG SER A 127 -9.071 47.654 4.272 1.00 0.00 H new ATOM 1489 N GLY A 128 -13.235 48.279 7.547 1.00 0.00 N ATOM 1490 CA GLY A 128 -14.579 48.813 7.671 1.00 0.00 C ATOM 1491 C GLY A 128 -14.586 50.286 8.028 1.00 0.00 C ATOM 1492 O GLY A 128 -13.571 50.833 8.458 1.00 0.00 O ATOM 0 H GLY A 128 -12.613 48.499 8.325 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -15.113 48.667 6.732 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -15.120 48.254 8.435 1.00 0.00 H new TER 1496 GLY A 128