USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 973 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 5 GLN : amide:sc= 0 X(o=-1.6,f=-1.6) USER MOD Set 1.2: A 81 THR OG1 : rot -110:sc= -1.59 USER MOD Single : A 2 LYS NZ :NH3+ -140:sc= -0.334 (180deg=-1.46!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -11.1! C(o=-11!,f=-26!) USER MOD Single : A 15 ASN : amide:sc= -0.586 X(o=-0.59,f=-0.37) USER MOD Single : A 16 ASN :FLIP amide:sc= -2! C(o=-2.5!,f=-2!) USER MOD Single : A 21 THR OG1 : rot -4:sc= 1.91 USER MOD Single : A 31 ASN : amide:sc= -1.77 K(o=-1.8,f=-2.5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -107:sc= -2.29 (180deg=-5.07!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0248 USER MOD Single : A 63 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.73) USER MOD Single : A 64 HIS : no HE2:sc= -19.5! C(o=-19!,f=-26!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -145:sc= -0.215! (180deg=-0.939!) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.477 USER MOD Single : A 79 HIS : no HE2:sc= 0.408 K(o=0.41,f=-5.8!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN :FLIP amide:sc= 0.477 F(o=-0.94,f=0.48) USER MOD Single : A 105 MET CE :methyl -159:sc= -0.0358 (180deg=-0.839) USER MOD Single : A 106 SER OG : rot 101:sc= 0.575 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 ASN : amide:sc= -4.88! C(o=-4.9!,f=-4.5!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 135:sc= 0.861 (180deg=0.152) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.843 -6.024 -3.256 1.00 0.00 N ATOM 21 CA LYS A 2 -20.750 -5.162 -3.689 1.00 0.00 C ATOM 22 C LYS A 2 -19.423 -5.625 -3.097 1.00 0.00 C ATOM 23 O LYS A 2 -19.305 -5.817 -1.887 1.00 0.00 O ATOM 24 CB LYS A 2 -21.024 -3.712 -3.283 1.00 0.00 C ATOM 25 CG LYS A 2 -20.375 -2.691 -4.202 1.00 0.00 C ATOM 26 CD LYS A 2 -21.322 -2.253 -5.309 1.00 0.00 C ATOM 27 CE LYS A 2 -22.394 -1.311 -4.785 1.00 0.00 C ATOM 28 NZ LYS A 2 -23.681 -2.017 -4.535 1.00 0.00 N ATOM 0 HA LYS A 2 -20.683 -5.222 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -22.101 -3.544 -3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.664 -3.554 -2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -20.067 -1.822 -3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -19.473 -3.117 -4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -20.756 -1.759 -6.099 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.793 -3.129 -5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -22.049 -0.847 -3.861 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -22.554 -0.508 -5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -24.472 -1.415 -4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -23.698 -2.908 -5.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -23.773 -2.222 -3.520 1.00 0.00 H new ATOM 42 N LYS A 3 -18.427 -5.802 -3.958 1.00 0.00 N ATOM 43 CA LYS A 3 -17.107 -6.243 -3.523 1.00 0.00 C ATOM 44 C LYS A 3 -16.010 -5.499 -4.277 1.00 0.00 C ATOM 45 O LYS A 3 -15.994 -5.473 -5.507 1.00 0.00 O ATOM 46 CB LYS A 3 -16.954 -7.750 -3.733 1.00 0.00 C ATOM 47 CG LYS A 3 -17.450 -8.228 -5.088 1.00 0.00 C ATOM 48 CD LYS A 3 -16.500 -9.245 -5.703 1.00 0.00 C ATOM 49 CE LYS A 3 -15.593 -8.604 -6.740 1.00 0.00 C ATOM 50 NZ LYS A 3 -14.351 -9.396 -6.956 1.00 0.00 N ATOM 0 H LYS A 3 -18.509 -5.647 -4.963 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.009 -6.020 -2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.903 -8.019 -3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.500 -8.275 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.439 -8.673 -4.978 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.556 -7.376 -5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.894 -9.699 -4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.074 -10.047 -6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.131 -8.508 -7.683 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.330 -7.596 -6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.759 -8.926 -7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.824 -9.467 -6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.601 -10.350 -7.287 1.00 0.00 H new ATOM 64 N LEU A 4 -15.096 -4.894 -3.527 1.00 0.00 N ATOM 65 CA LEU A 4 -13.993 -4.147 -4.119 1.00 0.00 C ATOM 66 C LEU A 4 -12.663 -4.570 -3.503 1.00 0.00 C ATOM 67 O LEU A 4 -12.558 -4.746 -2.292 1.00 0.00 O ATOM 68 CB LEU A 4 -14.213 -2.647 -3.925 1.00 0.00 C ATOM 69 CG LEU A 4 -14.143 -2.166 -2.472 1.00 0.00 C ATOM 70 CD1 LEU A 4 -13.029 -1.147 -2.300 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.478 -1.576 -2.039 1.00 0.00 C ATOM 0 H LEU A 4 -15.097 -4.906 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.960 -4.365 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.466 -2.107 -4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.188 -2.382 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.924 -3.024 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.995 -0.817 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.075 -1.602 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.217 -0.290 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.409 -1.240 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.727 -0.730 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.256 -2.335 -2.123 1.00 0.00 H new ATOM 83 N GLN A 5 -11.651 -4.745 -4.346 1.00 0.00 N ATOM 84 CA GLN A 5 -10.334 -5.164 -3.881 1.00 0.00 C ATOM 85 C GLN A 5 -9.345 -4.004 -3.834 1.00 0.00 C ATOM 86 O GLN A 5 -9.463 -3.032 -4.579 1.00 0.00 O ATOM 87 CB GLN A 5 -9.781 -6.263 -4.784 1.00 0.00 C ATOM 88 CG GLN A 5 -10.784 -7.364 -5.060 1.00 0.00 C ATOM 89 CD GLN A 5 -10.160 -8.571 -5.731 1.00 0.00 C ATOM 90 OE1 GLN A 5 -10.093 -8.649 -6.958 1.00 0.00 O ATOM 91 NE2 GLN A 5 -9.701 -9.523 -4.927 1.00 0.00 N ATOM 0 H GLN A 5 -11.717 -4.603 -5.354 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.458 -5.542 -2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.464 -5.823 -5.729 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.894 -6.695 -4.320 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.245 -7.673 -4.122 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.581 -6.973 -5.693 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.777 -9.417 -3.915 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.272 -10.360 -5.321 1.00 0.00 H new ATOM 100 N ILE A 6 -8.363 -4.137 -2.951 1.00 0.00 N ATOM 101 CA ILE A 6 -7.319 -3.135 -2.780 1.00 0.00 C ATOM 102 C ILE A 6 -6.002 -3.817 -2.421 1.00 0.00 C ATOM 103 O ILE A 6 -5.933 -4.571 -1.452 1.00 0.00 O ATOM 104 CB ILE A 6 -7.670 -2.102 -1.679 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.964 -2.484 -0.945 1.00 0.00 C ATOM 106 CG2 ILE A 6 -7.786 -0.712 -2.283 1.00 0.00 C ATOM 107 CD1 ILE A 6 -10.228 -2.136 -1.703 1.00 0.00 C ATOM 0 H ILE A 6 -8.268 -4.943 -2.333 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.228 -2.601 -3.726 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.864 -2.101 -0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.955 -3.556 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.983 -1.982 0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.033 0.005 -1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.838 -0.435 -2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.571 -0.708 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.097 -2.437 -1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.263 -1.061 -1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.235 -2.659 -2.659 1.00 0.00 H new ATOM 119 N ALA A 7 -4.955 -3.555 -3.200 1.00 0.00 N ATOM 120 CA ALA A 7 -3.654 -4.162 -2.934 1.00 0.00 C ATOM 121 C ALA A 7 -2.584 -3.098 -2.793 1.00 0.00 C ATOM 122 O ALA A 7 -2.409 -2.276 -3.684 1.00 0.00 O ATOM 123 CB ALA A 7 -3.281 -5.136 -4.040 1.00 0.00 C ATOM 0 H ALA A 7 -4.980 -2.935 -4.010 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.723 -4.711 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.308 -5.578 -3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.032 -5.924 -4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.235 -4.606 -4.991 1.00 0.00 H new ATOM 129 N VAL A 8 -1.866 -3.117 -1.678 1.00 0.00 N ATOM 130 CA VAL A 8 -0.817 -2.134 -1.447 1.00 0.00 C ATOM 131 C VAL A 8 0.558 -2.780 -1.371 1.00 0.00 C ATOM 132 O VAL A 8 0.690 -3.985 -1.158 1.00 0.00 O ATOM 133 CB VAL A 8 -1.072 -1.299 -0.165 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.502 -1.470 0.327 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.079 -1.657 0.937 1.00 0.00 C ATOM 0 H VAL A 8 -1.989 -3.795 -0.926 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.840 -1.463 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.925 -0.251 -0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.651 -0.873 1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.195 -1.140 -0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.686 -2.520 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.285 -1.054 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.178 -2.713 1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.935 -1.459 0.591 1.00 0.00 H new ATOM 145 N GLY A 9 1.576 -1.950 -1.535 1.00 0.00 N ATOM 146 CA GLY A 9 2.943 -2.413 -1.474 1.00 0.00 C ATOM 147 C GLY A 9 3.852 -1.362 -0.878 1.00 0.00 C ATOM 148 O GLY A 9 4.085 -0.318 -1.487 1.00 0.00 O ATOM 0 H GLY A 9 1.475 -0.950 -1.712 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.995 -3.323 -0.876 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.288 -2.669 -2.476 1.00 0.00 H new ATOM 152 N ILE A 10 4.365 -1.628 0.314 1.00 0.00 N ATOM 153 CA ILE A 10 5.251 -0.679 0.983 1.00 0.00 C ATOM 154 C ILE A 10 6.594 -0.628 0.269 1.00 0.00 C ATOM 155 O ILE A 10 7.417 -1.527 0.424 1.00 0.00 O ATOM 156 CB ILE A 10 5.477 -1.014 2.482 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.743 -2.296 2.898 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.031 0.151 3.353 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.900 -2.635 4.365 1.00 0.00 C ATOM 0 H ILE A 10 4.187 -2.485 0.837 1.00 0.00 H new ATOM 0 HA ILE A 10 4.759 0.293 0.938 1.00 0.00 H new ATOM 0 HB ILE A 10 6.544 -1.184 2.624 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.683 -2.188 2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.114 -3.128 2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.194 -0.096 4.402 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.607 1.040 3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.971 0.345 3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.355 -3.553 4.587 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.956 -2.776 4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.502 -1.821 4.971 1.00 0.00 H new ATOM 171 N ILE A 11 6.802 0.420 -0.528 1.00 0.00 N ATOM 172 CA ILE A 11 8.042 0.568 -1.288 1.00 0.00 C ATOM 173 C ILE A 11 9.219 0.902 -0.383 1.00 0.00 C ATOM 174 O ILE A 11 9.208 1.904 0.331 1.00 0.00 O ATOM 175 CB ILE A 11 7.935 1.650 -2.380 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.508 1.724 -2.937 1.00 0.00 C ATOM 177 CG2 ILE A 11 8.929 1.357 -3.496 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.419 2.415 -4.279 1.00 0.00 C ATOM 0 H ILE A 11 6.131 1.176 -0.664 1.00 0.00 H new ATOM 0 HA ILE A 11 8.212 -0.397 -1.766 1.00 0.00 H new ATOM 0 HB ILE A 11 8.173 2.617 -1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.110 0.713 -3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.875 2.251 -2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.849 2.125 -4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.941 1.354 -3.090 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.710 0.382 -3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.381 2.431 -4.612 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.786 3.437 -4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.025 1.876 -5.007 1.00 0.00 H new ATOM 190 N ARG A 12 10.231 0.043 -0.423 1.00 0.00 N ATOM 191 CA ARG A 12 11.430 0.218 0.390 1.00 0.00 C ATOM 192 C ARG A 12 12.499 1.009 -0.350 1.00 0.00 C ATOM 193 O ARG A 12 12.809 0.725 -1.512 1.00 0.00 O ATOM 194 CB ARG A 12 11.996 -1.141 0.801 1.00 0.00 C ATOM 195 CG ARG A 12 11.717 -1.496 2.249 1.00 0.00 C ATOM 196 CD ARG A 12 13.002 -1.653 3.047 1.00 0.00 C ATOM 197 NE ARG A 12 12.877 -2.666 4.092 1.00 0.00 N ATOM 198 CZ ARG A 12 13.914 -3.269 4.668 1.00 0.00 C ATOM 199 NH1 ARG A 12 15.154 -2.965 4.306 1.00 0.00 N ATOM 200 NH2 ARG A 12 13.711 -4.179 5.611 1.00 0.00 N ATOM 0 H ARG A 12 10.245 -0.788 -1.014 1.00 0.00 H new ATOM 0 HA ARG A 12 11.142 0.779 1.279 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.573 -1.912 0.157 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.073 -1.143 0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.100 -0.720 2.702 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.146 -2.423 2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.816 -1.925 2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.267 -0.697 3.499 1.00 0.00 H new ATOM 0 HE ARG A 12 11.940 -2.926 4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.317 -2.265 3.582 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.944 -3.431 4.752 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.760 -4.416 5.894 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.505 -4.642 6.053 1.00 0.00 H new ATOM 214 N ASN A 13 13.063 1.993 0.348 1.00 0.00 N ATOM 215 CA ASN A 13 14.114 2.844 -0.209 1.00 0.00 C ATOM 216 C ASN A 13 15.500 2.253 0.036 1.00 0.00 C ATOM 217 O ASN A 13 15.637 1.126 0.511 1.00 0.00 O ATOM 218 CB ASN A 13 14.052 4.256 0.386 1.00 0.00 C ATOM 219 CG ASN A 13 13.682 4.258 1.852 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.367 3.650 2.672 1.00 0.00 O ATOM 221 ND2 ASN A 13 12.586 4.933 2.182 1.00 0.00 N ATOM 0 H ASN A 13 12.807 2.222 1.308 1.00 0.00 H new ATOM 0 HA ASN A 13 13.942 2.900 -1.284 1.00 0.00 H new ATOM 0 HB2 ASN A 13 15.020 4.741 0.259 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.324 4.848 -0.169 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.279 4.963 3.154 1.00 0.00 H new ATOM 0 HD22 ASN A 13 12.052 5.421 1.463 1.00 0.00 H new ATOM 228 N GLU A 14 16.520 3.029 -0.313 1.00 0.00 N ATOM 229 CA GLU A 14 17.911 2.617 -0.165 1.00 0.00 C ATOM 230 C GLU A 14 18.424 2.770 1.274 1.00 0.00 C ATOM 231 O GLU A 14 19.621 2.627 1.522 1.00 0.00 O ATOM 232 CB GLU A 14 18.775 3.458 -1.106 1.00 0.00 C ATOM 233 CG GLU A 14 20.260 3.141 -1.033 1.00 0.00 C ATOM 234 CD GLU A 14 20.957 3.298 -2.370 1.00 0.00 C ATOM 235 OE1 GLU A 14 21.126 4.452 -2.819 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.333 2.269 -2.969 1.00 0.00 O ATOM 0 H GLU A 14 16.406 3.963 -0.707 1.00 0.00 H new ATOM 0 HA GLU A 14 17.973 1.558 -0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.432 3.307 -2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.627 4.512 -0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.732 3.798 -0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.392 2.120 -0.676 1.00 0.00 H new ATOM 243 N ASN A 15 17.536 3.066 2.219 1.00 0.00 N ATOM 244 CA ASN A 15 17.950 3.237 3.611 1.00 0.00 C ATOM 245 C ASN A 15 17.049 2.460 4.567 1.00 0.00 C ATOM 246 O ASN A 15 16.599 2.995 5.581 1.00 0.00 O ATOM 247 CB ASN A 15 17.947 4.721 3.982 1.00 0.00 C ATOM 248 CG ASN A 15 18.564 4.978 5.343 1.00 0.00 C ATOM 249 OD1 ASN A 15 17.961 5.623 6.200 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.776 4.473 5.548 1.00 0.00 N ATOM 0 H ASN A 15 16.538 3.191 2.052 1.00 0.00 H new ATOM 0 HA ASN A 15 18.961 2.840 3.707 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.495 5.283 3.226 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.922 5.092 3.975 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.242 4.614 6.444 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.240 3.944 4.809 1.00 0.00 H new ATOM 257 N ASN A 16 16.786 1.196 4.240 1.00 0.00 N ATOM 258 CA ASN A 16 15.937 0.338 5.069 1.00 0.00 C ATOM 259 C ASN A 16 14.671 1.068 5.518 1.00 0.00 C ATOM 260 O ASN A 16 14.073 0.733 6.540 1.00 0.00 O ATOM 261 CB ASN A 16 16.714 -0.169 6.289 1.00 0.00 C ATOM 262 CG ASN A 16 17.078 0.943 7.254 1.00 0.00 C ATOM 263 OD1 ASN A 16 18.360 1.286 7.305 1.00 0.00 O flip ATOM 264 ND2 ASN A 16 16.218 1.488 7.946 1.00 0.00 N flip ATOM 0 H ASN A 16 17.150 0.740 3.403 1.00 0.00 H new ATOM 0 HA ASN A 16 15.636 -0.514 4.460 1.00 0.00 H new ATOM 0 HB2 ASN A 16 16.116 -0.916 6.811 1.00 0.00 H new ATOM 0 HB3 ASN A 16 17.624 -0.666 5.954 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.244 1.193 7.875 1.00 0.00 H new ATOM 0 HD22 ASN A 16 16.479 2.234 8.590 1.00 0.00 H new ATOM 271 N GLU A 17 14.261 2.056 4.731 1.00 0.00 N ATOM 272 CA GLU A 17 13.063 2.826 5.020 1.00 0.00 C ATOM 273 C GLU A 17 12.052 2.611 3.901 1.00 0.00 C ATOM 274 O GLU A 17 12.409 2.144 2.823 1.00 0.00 O ATOM 275 CB GLU A 17 13.395 4.313 5.189 1.00 0.00 C ATOM 276 CG GLU A 17 14.141 4.628 6.476 1.00 0.00 C ATOM 277 CD GLU A 17 13.841 6.019 7.000 1.00 0.00 C ATOM 278 OE1 GLU A 17 13.187 6.800 6.277 1.00 0.00 O ATOM 279 OE2 GLU A 17 14.264 6.330 8.135 1.00 0.00 O ATOM 0 H GLU A 17 14.747 2.342 3.881 1.00 0.00 H new ATOM 0 HA GLU A 17 12.632 2.484 5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.996 4.641 4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.469 4.888 5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.874 3.893 7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.213 4.533 6.303 1.00 0.00 H new ATOM 286 N ILE A 18 10.790 2.909 4.164 1.00 0.00 N ATOM 287 CA ILE A 18 9.748 2.700 3.166 1.00 0.00 C ATOM 288 C ILE A 18 9.057 4.011 2.785 1.00 0.00 C ATOM 289 O ILE A 18 8.723 4.826 3.645 1.00 0.00 O ATOM 290 CB ILE A 18 8.722 1.663 3.684 1.00 0.00 C ATOM 291 CG1 ILE A 18 8.647 0.457 2.744 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.343 2.278 3.880 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.791 -0.870 3.458 1.00 0.00 C ATOM 0 H ILE A 18 10.462 3.293 5.050 1.00 0.00 H new ATOM 0 HA ILE A 18 10.217 2.312 2.262 1.00 0.00 H new ATOM 0 HB ILE A 18 9.069 1.323 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.694 0.476 2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.430 0.543 1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.653 1.516 4.244 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.406 3.088 4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.981 2.670 2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.729 -1.682 2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.756 -0.908 3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.992 -0.977 4.192 1.00 0.00 H new ATOM 305 N PHE A 19 8.851 4.200 1.484 1.00 0.00 N ATOM 306 CA PHE A 19 8.206 5.401 0.966 1.00 0.00 C ATOM 307 C PHE A 19 6.684 5.254 0.978 1.00 0.00 C ATOM 308 O PHE A 19 6.117 4.485 0.202 1.00 0.00 O ATOM 309 CB PHE A 19 8.722 5.687 -0.455 1.00 0.00 C ATOM 310 CG PHE A 19 7.721 6.318 -1.389 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.869 5.530 -2.147 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.645 7.695 -1.519 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.959 6.104 -3.015 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.737 8.275 -2.384 1.00 0.00 C ATOM 315 CZ PHE A 19 5.893 7.478 -3.134 1.00 0.00 C ATOM 0 H PHE A 19 9.124 3.530 0.765 1.00 0.00 H new ATOM 0 HA PHE A 19 8.456 6.244 1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.590 6.342 -0.383 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.064 4.750 -0.895 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.917 4.455 -2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.303 8.323 -0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.300 5.478 -3.599 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.687 9.350 -2.474 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.183 7.929 -3.812 1.00 0.00 H new ATOM 325 N ILE A 20 6.031 5.999 1.863 1.00 0.00 N ATOM 326 CA ILE A 20 4.583 5.964 1.980 1.00 0.00 C ATOM 327 C ILE A 20 4.001 7.346 1.702 1.00 0.00 C ATOM 328 O ILE A 20 4.562 8.359 2.119 1.00 0.00 O ATOM 329 CB ILE A 20 4.137 5.500 3.383 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.318 5.484 4.359 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.492 4.125 3.311 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.909 5.256 5.799 1.00 0.00 C ATOM 0 H ILE A 20 6.488 6.638 2.513 1.00 0.00 H new ATOM 0 HA ILE A 20 4.213 5.249 1.246 1.00 0.00 H new ATOM 0 HB ILE A 20 3.400 6.212 3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.016 4.702 4.060 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.851 6.432 4.287 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.184 3.815 4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.620 4.166 2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.209 3.407 2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.795 5.257 6.433 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.235 6.052 6.116 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.402 4.295 5.885 1.00 0.00 H new ATOM 344 N THR A 21 2.878 7.388 0.994 1.00 0.00 N ATOM 345 CA THR A 21 2.238 8.656 0.664 1.00 0.00 C ATOM 346 C THR A 21 1.558 9.265 1.886 1.00 0.00 C ATOM 347 O THR A 21 0.561 8.739 2.380 1.00 0.00 O ATOM 348 CB THR A 21 1.213 8.459 -0.454 1.00 0.00 C ATOM 349 OG1 THR A 21 0.043 7.833 0.042 1.00 0.00 O ATOM 350 CG2 THR A 21 1.731 7.623 -1.604 1.00 0.00 C ATOM 0 H THR A 21 2.394 6.563 0.639 1.00 0.00 H new ATOM 0 HA THR A 21 3.014 9.342 0.324 1.00 0.00 H new ATOM 0 HB THR A 21 0.997 9.461 -0.826 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.172 7.598 0.985 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.953 7.523 -2.361 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.604 8.108 -2.042 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.010 6.635 -1.239 1.00 0.00 H new ATOM 358 N ARG A 22 2.100 10.380 2.366 1.00 0.00 N ATOM 359 CA ARG A 22 1.540 11.061 3.527 1.00 0.00 C ATOM 360 C ARG A 22 0.500 12.090 3.100 1.00 0.00 C ATOM 361 O ARG A 22 0.803 13.276 2.971 1.00 0.00 O ATOM 362 CB ARG A 22 2.649 11.743 4.331 1.00 0.00 C ATOM 363 CG ARG A 22 2.273 12.015 5.778 1.00 0.00 C ATOM 364 CD ARG A 22 1.954 13.484 6.007 1.00 0.00 C ATOM 365 NE ARG A 22 1.279 13.706 7.285 1.00 0.00 N ATOM 366 CZ ARG A 22 1.908 13.747 8.457 1.00 0.00 C ATOM 367 NH1 ARG A 22 3.223 13.580 8.519 1.00 0.00 N ATOM 368 NH2 ARG A 22 1.219 13.954 9.571 1.00 0.00 N ATOM 0 H ARG A 22 2.925 10.830 1.969 1.00 0.00 H new ATOM 0 HA ARG A 22 1.053 10.315 4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.541 11.117 4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.909 12.685 3.849 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.410 11.408 6.050 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.093 11.714 6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.877 14.064 5.979 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.324 13.849 5.196 1.00 0.00 H new ATOM 0 HE ARG A 22 0.267 13.837 7.278 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.757 13.419 7.665 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.699 13.613 9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.208 14.082 9.529 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.700 13.986 10.470 1.00 0.00 H new ATOM 493 N ASN A 31 -3.614 12.852 9.039 1.00 0.00 N ATOM 494 CA ASN A 31 -3.409 11.575 9.711 1.00 0.00 C ATOM 495 C ASN A 31 -3.895 10.406 8.851 1.00 0.00 C ATOM 496 O ASN A 31 -4.333 9.382 9.375 1.00 0.00 O ATOM 497 CB ASN A 31 -4.135 11.575 11.058 1.00 0.00 C ATOM 498 CG ASN A 31 -3.179 11.656 12.234 1.00 0.00 C ATOM 499 OD1 ASN A 31 -3.385 11.009 13.261 1.00 0.00 O ATOM 500 ND2 ASN A 31 -2.129 12.455 12.091 1.00 0.00 N ATOM 0 HA ASN A 31 -2.339 11.446 9.875 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.824 12.419 11.096 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.735 10.669 11.144 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.454 12.551 12.850 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.997 12.973 11.222 1.00 0.00 H new ATOM 507 N LYS A 32 -3.812 10.560 7.532 1.00 0.00 N ATOM 508 CA LYS A 32 -4.239 9.512 6.610 1.00 0.00 C ATOM 509 C LYS A 32 -3.063 8.952 5.821 1.00 0.00 C ATOM 510 O LYS A 32 -3.230 8.447 4.711 1.00 0.00 O ATOM 511 CB LYS A 32 -5.314 10.031 5.657 1.00 0.00 C ATOM 512 CG LYS A 32 -6.705 9.506 5.970 1.00 0.00 C ATOM 513 CD LYS A 32 -7.599 9.528 4.741 1.00 0.00 C ATOM 514 CE LYS A 32 -9.029 9.148 5.086 1.00 0.00 C ATOM 515 NZ LYS A 32 -9.832 8.842 3.869 1.00 0.00 N ATOM 0 H LYS A 32 -3.453 11.400 7.078 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.662 8.704 7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.328 11.120 5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.050 9.752 4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.633 8.487 6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.154 10.110 6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.583 10.523 4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.208 8.838 3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.025 8.280 5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.499 9.964 5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.801 8.587 4.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.858 9.678 3.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.398 8.047 3.358 1.00 0.00 H new ATOM 529 N LEU A 33 -1.880 9.046 6.408 1.00 0.00 N ATOM 530 CA LEU A 33 -0.656 8.552 5.784 1.00 0.00 C ATOM 531 C LEU A 33 -0.884 7.175 5.156 1.00 0.00 C ATOM 532 O LEU A 33 -0.798 6.156 5.836 1.00 0.00 O ATOM 533 CB LEU A 33 0.447 8.477 6.842 1.00 0.00 C ATOM 534 CG LEU A 33 1.886 8.543 6.322 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.855 8.042 7.380 1.00 0.00 C ATOM 536 CD2 LEU A 33 2.041 7.743 5.038 1.00 0.00 C ATOM 0 H LEU A 33 -1.738 9.465 7.327 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.357 9.236 4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.300 9.293 7.549 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.326 7.548 7.399 1.00 0.00 H new ATOM 0 HG LEU A 33 2.118 9.585 6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.873 8.095 6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.772 8.662 8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.616 7.009 7.632 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.072 7.807 4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.786 6.700 5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.376 8.147 4.275 1.00 0.00 H new ATOM 548 N GLU A 34 -1.194 7.154 3.862 1.00 0.00 N ATOM 549 CA GLU A 34 -1.456 5.896 3.166 1.00 0.00 C ATOM 550 C GLU A 34 -0.343 5.540 2.188 1.00 0.00 C ATOM 551 O GLU A 34 0.571 6.328 1.948 1.00 0.00 O ATOM 552 CB GLU A 34 -2.793 5.971 2.426 1.00 0.00 C ATOM 553 CG GLU A 34 -3.501 4.631 2.311 1.00 0.00 C ATOM 554 CD GLU A 34 -4.999 4.778 2.131 1.00 0.00 C ATOM 555 OE1 GLU A 34 -5.418 5.467 1.177 1.00 0.00 O ATOM 556 OE2 GLU A 34 -5.754 4.203 2.943 1.00 0.00 O ATOM 0 H GLU A 34 -1.270 7.987 3.278 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.498 5.110 3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.446 6.674 2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.623 6.370 1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.090 4.078 1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.302 4.041 3.206 1.00 0.00 H new ATOM 563 N PHE A 35 -0.429 4.334 1.632 1.00 0.00 N ATOM 564 CA PHE A 35 0.566 3.846 0.683 1.00 0.00 C ATOM 565 C PHE A 35 -0.061 3.530 -0.677 1.00 0.00 C ATOM 566 O PHE A 35 -1.277 3.382 -0.796 1.00 0.00 O ATOM 567 CB PHE A 35 1.263 2.593 1.233 1.00 0.00 C ATOM 568 CG PHE A 35 0.496 1.893 2.323 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.750 1.343 2.070 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.022 1.790 3.601 1.00 0.00 C ATOM 571 CE1 PHE A 35 -1.457 0.703 3.070 1.00 0.00 C ATOM 572 CE2 PHE A 35 0.321 1.151 4.605 1.00 0.00 C ATOM 573 CZ PHE A 35 -0.920 0.606 4.339 1.00 0.00 C ATOM 0 H PHE A 35 -1.183 3.674 1.824 1.00 0.00 H new ATOM 0 HA PHE A 35 1.301 4.639 0.545 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.430 1.894 0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.244 2.874 1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.174 1.415 1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.992 2.215 3.814 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.428 0.279 2.860 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.743 1.078 5.597 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.470 0.105 5.122 1.00 0.00 H new ATOM 583 N PRO A 36 0.781 3.403 -1.718 1.00 0.00 N ATOM 584 CA PRO A 36 0.341 3.079 -3.083 1.00 0.00 C ATOM 585 C PRO A 36 -0.356 1.724 -3.153 1.00 0.00 C ATOM 586 O PRO A 36 -0.302 0.942 -2.203 1.00 0.00 O ATOM 587 CB PRO A 36 1.639 3.052 -3.898 1.00 0.00 C ATOM 588 CG PRO A 36 2.721 2.859 -2.892 1.00 0.00 C ATOM 589 CD PRO A 36 2.247 3.544 -1.643 1.00 0.00 C ATOM 0 HA PRO A 36 -0.386 3.802 -3.453 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.630 2.243 -4.628 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.776 3.980 -4.453 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.903 1.799 -2.712 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.660 3.288 -3.241 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.652 3.073 -0.747 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.550 4.591 -1.618 1.00 0.00 H new ATOM 597 N GLY A 37 -1.012 1.446 -4.277 1.00 0.00 N ATOM 598 CA GLY A 37 -1.704 0.177 -4.425 1.00 0.00 C ATOM 599 C GLY A 37 -3.202 0.274 -4.232 1.00 0.00 C ATOM 600 O GLY A 37 -3.785 -0.372 -3.361 1.00 0.00 O ATOM 0 H GLY A 37 -1.077 2.070 -5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.500 -0.224 -5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.299 -0.534 -3.704 1.00 0.00 H new ATOM 604 N GLY A 38 -3.808 1.085 -5.067 1.00 0.00 N ATOM 605 CA GLY A 38 -5.242 1.291 -5.034 1.00 0.00 C ATOM 606 C GLY A 38 -5.868 1.164 -6.415 1.00 0.00 C ATOM 607 O GLY A 38 -5.530 1.933 -7.316 1.00 0.00 O ATOM 0 H GLY A 38 -3.325 1.621 -5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.697 0.564 -4.361 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.457 2.279 -4.628 1.00 0.00 H new ATOM 611 N LYS A 39 -6.777 0.191 -6.572 1.00 0.00 N ATOM 612 CA LYS A 39 -7.475 -0.062 -7.843 1.00 0.00 C ATOM 613 C LYS A 39 -7.060 -1.398 -8.459 1.00 0.00 C ATOM 614 O LYS A 39 -7.523 -1.753 -9.543 1.00 0.00 O ATOM 615 CB LYS A 39 -7.250 1.058 -8.863 1.00 0.00 C ATOM 616 CG LYS A 39 -8.096 0.907 -10.116 1.00 0.00 C ATOM 617 CD LYS A 39 -8.900 2.165 -10.407 1.00 0.00 C ATOM 618 CE LYS A 39 -10.332 2.037 -9.915 1.00 0.00 C ATOM 619 NZ LYS A 39 -10.536 2.727 -8.612 1.00 0.00 N ATOM 0 H LYS A 39 -7.050 -0.444 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.537 -0.097 -7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.474 2.017 -8.395 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.197 1.078 -9.144 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.451 0.683 -10.966 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.773 0.061 -9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.425 3.021 -9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.899 2.359 -11.480 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.010 2.457 -10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.587 0.982 -9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.525 2.616 -8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.908 2.310 -7.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.318 3.738 -8.717 1.00 0.00 H new ATOM 633 N ILE A 40 -6.196 -2.145 -7.771 1.00 0.00 N ATOM 634 CA ILE A 40 -5.749 -3.444 -8.278 1.00 0.00 C ATOM 635 C ILE A 40 -6.940 -4.299 -8.680 1.00 0.00 C ATOM 636 O ILE A 40 -6.852 -5.152 -9.562 1.00 0.00 O ATOM 637 CB ILE A 40 -4.893 -4.210 -7.247 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.774 -4.913 -6.199 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.910 -3.256 -6.584 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.338 -6.328 -5.885 1.00 0.00 C ATOM 0 H ILE A 40 -5.795 -1.878 -6.872 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.127 -3.244 -9.151 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.333 -4.986 -7.769 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.766 -4.328 -5.280 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.804 -4.931 -6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.308 -3.801 -5.857 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.258 -2.821 -7.342 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.459 -2.462 -6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.006 -6.758 -5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.373 -6.930 -6.793 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.320 -6.317 -5.496 1.00 0.00 H new ATOM 652 N GLU A 41 -8.050 -4.052 -8.002 1.00 0.00 N ATOM 653 CA GLU A 41 -9.289 -4.774 -8.240 1.00 0.00 C ATOM 654 C GLU A 41 -9.561 -4.912 -9.731 1.00 0.00 C ATOM 655 O GLU A 41 -9.293 -5.960 -10.314 1.00 0.00 O ATOM 656 CB GLU A 41 -10.454 -4.066 -7.542 1.00 0.00 C ATOM 657 CG GLU A 41 -10.351 -2.544 -7.541 1.00 0.00 C ATOM 658 CD GLU A 41 -11.567 -1.871 -8.149 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.533 -1.606 -7.405 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.551 -1.610 -9.371 1.00 0.00 O ATOM 0 H GLU A 41 -8.117 -3.344 -7.270 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.189 -5.776 -7.824 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.385 -4.356 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.512 -4.416 -6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.222 -2.194 -6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.461 -2.244 -8.095 1.00 0.00 H new ATOM 667 N MET A 42 -10.080 -3.844 -10.338 1.00 0.00 N ATOM 668 CA MET A 42 -10.383 -3.829 -11.771 1.00 0.00 C ATOM 669 C MET A 42 -10.895 -5.189 -12.253 1.00 0.00 C ATOM 670 O MET A 42 -12.101 -5.427 -12.306 1.00 0.00 O ATOM 671 CB MET A 42 -9.139 -3.417 -12.566 1.00 0.00 C ATOM 672 CG MET A 42 -9.220 -2.011 -13.132 1.00 0.00 C ATOM 673 SD MET A 42 -7.598 -1.315 -13.501 1.00 0.00 S ATOM 674 CE MET A 42 -7.137 -2.274 -14.941 1.00 0.00 C ATOM 0 H MET A 42 -10.301 -2.972 -9.856 1.00 0.00 H new ATOM 0 HA MET A 42 -11.175 -3.100 -11.939 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.264 -3.490 -11.920 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.991 -4.122 -13.384 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.821 -2.024 -14.041 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.734 -1.366 -12.419 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.363 -2.991 -14.668 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.010 -2.808 -15.317 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.758 -1.608 -15.716 1.00 0.00 H new ATOM 684 N GLY A 43 -9.966 -6.075 -12.598 1.00 0.00 N ATOM 685 CA GLY A 43 -10.330 -7.396 -13.063 1.00 0.00 C ATOM 686 C GLY A 43 -9.143 -8.330 -13.128 1.00 0.00 C ATOM 687 O GLY A 43 -9.101 -9.240 -13.956 1.00 0.00 O ATOM 0 H GLY A 43 -8.962 -5.898 -12.562 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.085 -7.817 -12.399 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.783 -7.319 -14.051 1.00 0.00 H new ATOM 691 N GLU A 44 -8.176 -8.097 -12.257 1.00 0.00 N ATOM 692 CA GLU A 44 -6.971 -8.919 -12.219 1.00 0.00 C ATOM 693 C GLU A 44 -7.074 -9.997 -11.146 1.00 0.00 C ATOM 694 O GLU A 44 -8.090 -10.110 -10.460 1.00 0.00 O ATOM 695 CB GLU A 44 -5.743 -8.045 -11.966 1.00 0.00 C ATOM 696 CG GLU A 44 -5.194 -7.390 -13.222 1.00 0.00 C ATOM 697 CD GLU A 44 -6.013 -6.193 -13.662 1.00 0.00 C ATOM 698 OE1 GLU A 44 -6.708 -5.604 -12.807 1.00 0.00 O ATOM 699 OE2 GLU A 44 -5.959 -5.843 -14.859 1.00 0.00 O ATOM 0 H GLU A 44 -8.198 -7.347 -11.566 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.868 -9.410 -13.187 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.002 -7.269 -11.245 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.961 -8.654 -11.512 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.166 -7.076 -13.043 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.168 -8.123 -14.028 1.00 0.00 H new ATOM 706 N THR A 45 -6.011 -10.784 -11.003 1.00 0.00 N ATOM 707 CA THR A 45 -5.977 -11.849 -10.012 1.00 0.00 C ATOM 708 C THR A 45 -4.993 -11.497 -8.902 1.00 0.00 C ATOM 709 O THR A 45 -4.103 -10.674 -9.097 1.00 0.00 O ATOM 710 CB THR A 45 -5.576 -13.175 -10.669 1.00 0.00 C ATOM 711 OG1 THR A 45 -5.411 -13.014 -12.068 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.585 -14.282 -10.454 1.00 0.00 C ATOM 0 H THR A 45 -5.162 -10.702 -11.563 1.00 0.00 H new ATOM 0 HA THR A 45 -6.973 -11.959 -9.582 1.00 0.00 H new ATOM 0 HB THR A 45 -4.640 -13.460 -10.189 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.154 -13.871 -12.468 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.238 -15.191 -10.945 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.699 -14.468 -9.386 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.546 -13.986 -10.876 1.00 0.00 H new ATOM 720 N PRO A 46 -5.126 -12.120 -7.721 1.00 0.00 N ATOM 721 CA PRO A 46 -4.236 -11.868 -6.588 1.00 0.00 C ATOM 722 C PRO A 46 -2.767 -11.805 -7.002 1.00 0.00 C ATOM 723 O PRO A 46 -1.948 -11.186 -6.322 1.00 0.00 O ATOM 724 CB PRO A 46 -4.486 -13.068 -5.655 1.00 0.00 C ATOM 725 CG PRO A 46 -5.403 -13.984 -6.401 1.00 0.00 C ATOM 726 CD PRO A 46 -6.137 -13.123 -7.382 1.00 0.00 C ATOM 0 HA PRO A 46 -4.438 -10.904 -6.122 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.551 -13.570 -5.405 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.935 -12.745 -4.716 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.842 -14.767 -6.912 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.096 -14.480 -5.722 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.462 -13.687 -8.256 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.028 -12.673 -6.944 1.00 0.00 H new ATOM 734 N GLU A 47 -2.437 -12.454 -8.115 1.00 0.00 N ATOM 735 CA GLU A 47 -1.066 -12.476 -8.611 1.00 0.00 C ATOM 736 C GLU A 47 -0.768 -11.288 -9.528 1.00 0.00 C ATOM 737 O GLU A 47 0.117 -10.484 -9.241 1.00 0.00 O ATOM 738 CB GLU A 47 -0.798 -13.785 -9.357 1.00 0.00 C ATOM 739 CG GLU A 47 0.572 -14.378 -9.071 1.00 0.00 C ATOM 740 CD GLU A 47 0.509 -15.567 -8.132 1.00 0.00 C ATOM 741 OE1 GLU A 47 -0.502 -15.701 -7.411 1.00 0.00 O ATOM 742 OE2 GLU A 47 1.470 -16.364 -8.118 1.00 0.00 O ATOM 0 H GLU A 47 -3.101 -12.972 -8.690 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.406 -12.402 -7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.563 -14.512 -9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.892 -13.609 -10.429 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.034 -14.685 -10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.212 -13.610 -8.637 1.00 0.00 H new ATOM 749 N GLN A 48 -1.494 -11.191 -10.642 1.00 0.00 N ATOM 750 CA GLN A 48 -1.277 -10.108 -11.601 1.00 0.00 C ATOM 751 C GLN A 48 -1.954 -8.808 -11.171 1.00 0.00 C ATOM 752 O GLN A 48 -1.778 -7.774 -11.811 1.00 0.00 O ATOM 753 CB GLN A 48 -1.775 -10.521 -12.988 1.00 0.00 C ATOM 754 CG GLN A 48 -3.264 -10.823 -13.037 1.00 0.00 C ATOM 755 CD GLN A 48 -3.717 -11.298 -14.403 1.00 0.00 C ATOM 756 OE1 GLN A 48 -4.513 -10.637 -15.071 1.00 0.00 O ATOM 757 NE2 GLN A 48 -3.212 -12.451 -14.826 1.00 0.00 N ATOM 0 H GLN A 48 -2.233 -11.845 -10.901 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.204 -9.922 -11.637 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.551 -9.724 -13.697 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.223 -11.402 -13.315 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.501 -11.585 -12.294 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.822 -9.927 -12.764 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.555 -12.966 -14.240 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.481 -12.822 -15.737 1.00 0.00 H new ATOM 766 N ALA A 49 -2.727 -8.858 -10.092 1.00 0.00 N ATOM 767 CA ALA A 49 -3.418 -7.671 -9.605 1.00 0.00 C ATOM 768 C ALA A 49 -2.423 -6.599 -9.182 1.00 0.00 C ATOM 769 O ALA A 49 -2.476 -5.466 -9.662 1.00 0.00 O ATOM 770 CB ALA A 49 -4.340 -8.026 -8.451 1.00 0.00 C ATOM 0 H ALA A 49 -2.890 -9.701 -9.542 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.022 -7.272 -10.420 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.847 -7.127 -8.101 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.080 -8.753 -8.787 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.755 -8.453 -7.636 1.00 0.00 H new ATOM 776 N VAL A 50 -1.513 -6.960 -8.284 1.00 0.00 N ATOM 777 CA VAL A 50 -0.508 -6.020 -7.807 1.00 0.00 C ATOM 778 C VAL A 50 0.612 -5.858 -8.828 1.00 0.00 C ATOM 779 O VAL A 50 1.048 -4.746 -9.108 1.00 0.00 O ATOM 780 CB VAL A 50 0.100 -6.454 -6.451 1.00 0.00 C ATOM 781 CG1 VAL A 50 -0.962 -7.064 -5.549 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.257 -7.427 -6.652 1.00 0.00 C ATOM 0 H VAL A 50 -1.451 -7.892 -7.874 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.017 -5.067 -7.666 1.00 0.00 H new ATOM 0 HB VAL A 50 0.491 -5.561 -5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.509 -7.361 -4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.746 -6.330 -5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.393 -7.939 -6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.664 -7.714 -5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.899 -8.315 -7.173 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.036 -6.948 -7.245 1.00 0.00 H new ATOM 792 N VAL A 51 1.083 -6.977 -9.369 1.00 0.00 N ATOM 793 CA VAL A 51 2.162 -6.958 -10.346 1.00 0.00 C ATOM 794 C VAL A 51 1.808 -6.082 -11.536 1.00 0.00 C ATOM 795 O VAL A 51 2.646 -5.331 -12.038 1.00 0.00 O ATOM 796 CB VAL A 51 2.497 -8.379 -10.845 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.703 -8.351 -11.773 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.742 -9.314 -9.670 1.00 0.00 C ATOM 0 H VAL A 51 0.733 -7.909 -9.146 1.00 0.00 H new ATOM 0 HA VAL A 51 3.036 -6.545 -9.843 1.00 0.00 H new ATOM 0 HB VAL A 51 1.643 -8.756 -11.408 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.923 -9.363 -12.114 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.486 -7.717 -12.633 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.565 -7.953 -11.238 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.977 -10.311 -10.042 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.577 -8.942 -9.077 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.848 -9.360 -9.049 1.00 0.00 H new ATOM 808 N ARG A 52 0.566 -6.178 -11.989 1.00 0.00 N ATOM 809 CA ARG A 52 0.119 -5.388 -13.123 1.00 0.00 C ATOM 810 C ARG A 52 -0.182 -3.952 -12.704 1.00 0.00 C ATOM 811 O ARG A 52 0.242 -3.003 -13.363 1.00 0.00 O ATOM 812 CB ARG A 52 -1.117 -6.017 -13.768 1.00 0.00 C ATOM 813 CG ARG A 52 -1.503 -5.378 -15.092 1.00 0.00 C ATOM 814 CD ARG A 52 -2.238 -4.064 -14.884 1.00 0.00 C ATOM 815 NE ARG A 52 -3.322 -3.884 -15.847 1.00 0.00 N ATOM 816 CZ ARG A 52 -3.999 -2.747 -15.999 1.00 0.00 C ATOM 817 NH1 ARG A 52 -3.706 -1.688 -15.254 1.00 0.00 N ATOM 818 NH2 ARG A 52 -4.970 -2.670 -16.898 1.00 0.00 N ATOM 0 H ARG A 52 -0.145 -6.792 -11.590 1.00 0.00 H new ATOM 0 HA ARG A 52 0.926 -5.372 -13.856 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.933 -7.080 -13.927 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.957 -5.939 -13.078 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.607 -5.204 -15.688 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.134 -6.063 -15.658 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.643 -4.031 -13.872 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.534 -3.237 -14.972 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.575 -4.676 -16.438 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.959 -1.743 -14.561 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.227 -0.820 -15.374 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.198 -3.481 -17.473 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.489 -1.800 -17.015 1.00 0.00 H new ATOM 832 N GLU A 53 -0.913 -3.803 -11.607 1.00 0.00 N ATOM 833 CA GLU A 53 -1.268 -2.485 -11.102 1.00 0.00 C ATOM 834 C GLU A 53 -0.043 -1.760 -10.556 1.00 0.00 C ATOM 835 O GLU A 53 -0.033 -0.534 -10.457 1.00 0.00 O ATOM 836 CB GLU A 53 -2.336 -2.601 -10.013 1.00 0.00 C ATOM 837 CG GLU A 53 -3.100 -1.309 -9.777 1.00 0.00 C ATOM 838 CD GLU A 53 -4.397 -1.242 -10.561 1.00 0.00 C ATOM 839 OE1 GLU A 53 -4.805 -2.278 -11.129 1.00 0.00 O ATOM 840 OE2 GLU A 53 -5.008 -0.153 -10.605 1.00 0.00 O ATOM 0 H GLU A 53 -1.271 -4.579 -11.050 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.669 -1.904 -11.932 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.041 -3.386 -10.288 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.862 -2.910 -9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.318 -1.210 -8.714 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.470 -0.464 -10.053 1.00 0.00 H new ATOM 847 N LEU A 54 0.993 -2.521 -10.204 1.00 0.00 N ATOM 848 CA LEU A 54 2.219 -1.938 -9.672 1.00 0.00 C ATOM 849 C LEU A 54 2.768 -0.907 -10.638 1.00 0.00 C ATOM 850 O LEU A 54 3.155 0.185 -10.238 1.00 0.00 O ATOM 851 CB LEU A 54 3.266 -3.021 -9.406 1.00 0.00 C ATOM 852 CG LEU A 54 3.658 -3.203 -7.937 1.00 0.00 C ATOM 853 CD1 LEU A 54 2.441 -3.099 -7.026 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.354 -4.538 -7.750 1.00 0.00 C ATOM 0 H LEU A 54 1.006 -3.538 -10.278 1.00 0.00 H new ATOM 0 HA LEU A 54 1.984 -1.450 -8.726 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.887 -3.970 -9.785 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.163 -2.785 -9.978 1.00 0.00 H new ATOM 0 HG LEU A 54 4.346 -2.403 -7.662 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.750 -3.232 -5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.981 -2.118 -7.144 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.720 -3.872 -7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.630 -4.661 -6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.681 -5.343 -8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.251 -4.570 -8.368 1.00 0.00 H new ATOM 866 N GLN A 55 2.775 -1.249 -11.919 1.00 0.00 N ATOM 867 CA GLN A 55 3.249 -0.324 -12.935 1.00 0.00 C ATOM 868 C GLN A 55 2.389 0.934 -12.897 1.00 0.00 C ATOM 869 O GLN A 55 2.871 2.046 -13.113 1.00 0.00 O ATOM 870 CB GLN A 55 3.188 -0.973 -14.321 1.00 0.00 C ATOM 871 CG GLN A 55 4.551 -1.142 -14.973 1.00 0.00 C ATOM 872 CD GLN A 55 4.574 -2.266 -15.990 1.00 0.00 C ATOM 873 OE1 GLN A 55 4.123 -2.101 -17.124 1.00 0.00 O ATOM 874 NE2 GLN A 55 5.101 -3.417 -15.589 1.00 0.00 N ATOM 0 H GLN A 55 2.461 -2.152 -12.276 1.00 0.00 H new ATOM 0 HA GLN A 55 4.288 -0.062 -12.733 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.712 -1.950 -14.235 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.557 -0.366 -14.970 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.835 -0.209 -15.461 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.297 -1.338 -14.203 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.463 -3.509 -14.640 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.144 -4.209 -16.230 1.00 0.00 H new ATOM 883 N GLU A 56 1.105 0.734 -12.601 1.00 0.00 N ATOM 884 CA GLU A 56 0.151 1.830 -12.508 1.00 0.00 C ATOM 885 C GLU A 56 0.294 2.581 -11.190 1.00 0.00 C ATOM 886 O GLU A 56 -0.058 3.755 -11.099 1.00 0.00 O ATOM 887 CB GLU A 56 -1.275 1.298 -12.633 1.00 0.00 C ATOM 888 CG GLU A 56 -2.222 2.247 -13.350 1.00 0.00 C ATOM 889 CD GLU A 56 -3.539 2.424 -12.615 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.540 2.348 -11.368 1.00 0.00 O ATOM 891 OE2 GLU A 56 -4.569 2.637 -13.288 1.00 0.00 O ATOM 0 H GLU A 56 0.703 -0.186 -12.421 1.00 0.00 H new ATOM 0 HA GLU A 56 0.361 2.521 -13.325 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.253 0.348 -13.168 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.666 1.094 -11.636 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.740 3.218 -13.463 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.418 1.869 -14.353 1.00 0.00 H new ATOM 898 N GLU A 57 0.783 1.893 -10.158 1.00 0.00 N ATOM 899 CA GLU A 57 0.933 2.510 -8.843 1.00 0.00 C ATOM 900 C GLU A 57 2.398 2.773 -8.491 1.00 0.00 C ATOM 901 O GLU A 57 2.706 3.214 -7.384 1.00 0.00 O ATOM 902 CB GLU A 57 0.295 1.621 -7.773 1.00 0.00 C ATOM 903 CG GLU A 57 -1.132 2.014 -7.425 1.00 0.00 C ATOM 904 CD GLU A 57 -2.049 2.023 -8.630 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.850 2.873 -9.523 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.970 1.183 -8.678 1.00 0.00 O ATOM 0 H GLU A 57 1.079 0.918 -10.207 1.00 0.00 H new ATOM 0 HA GLU A 57 0.425 3.474 -8.876 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.304 0.587 -8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.904 1.660 -6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.524 1.320 -6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.130 3.004 -6.968 1.00 0.00 H new ATOM 913 N VAL A 58 3.295 2.518 -9.437 1.00 0.00 N ATOM 914 CA VAL A 58 4.717 2.744 -9.225 1.00 0.00 C ATOM 915 C VAL A 58 5.317 3.446 -10.428 1.00 0.00 C ATOM 916 O VAL A 58 6.087 4.396 -10.294 1.00 0.00 O ATOM 917 CB VAL A 58 5.478 1.425 -8.986 1.00 0.00 C ATOM 918 CG1 VAL A 58 6.909 1.699 -8.554 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.766 0.575 -7.950 1.00 0.00 C ATOM 0 H VAL A 58 3.060 2.154 -10.360 1.00 0.00 H new ATOM 0 HA VAL A 58 4.817 3.366 -8.335 1.00 0.00 H new ATOM 0 HB VAL A 58 5.503 0.874 -9.926 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.427 0.754 -8.391 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.422 2.265 -9.332 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.906 2.275 -7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.320 -0.351 -7.796 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.706 1.122 -7.009 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.760 0.343 -8.299 1.00 0.00 H new ATOM 929 N GLY A 59 4.942 2.970 -11.613 1.00 0.00 N ATOM 930 CA GLY A 59 5.427 3.550 -12.847 1.00 0.00 C ATOM 931 C GLY A 59 6.899 3.303 -13.095 1.00 0.00 C ATOM 932 O GLY A 59 7.311 3.017 -14.219 1.00 0.00 O ATOM 0 H GLY A 59 4.304 2.184 -11.737 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.854 3.143 -13.680 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.245 4.625 -12.830 1.00 0.00 H new ATOM 936 N ILE A 60 7.683 3.417 -12.046 1.00 0.00 N ATOM 937 CA ILE A 60 9.119 3.214 -12.131 1.00 0.00 C ATOM 938 C ILE A 60 9.459 1.732 -12.182 1.00 0.00 C ATOM 939 O ILE A 60 8.572 0.879 -12.206 1.00 0.00 O ATOM 940 CB ILE A 60 9.882 3.848 -10.942 1.00 0.00 C ATOM 941 CG1 ILE A 60 8.988 4.057 -9.718 1.00 0.00 C ATOM 942 CG2 ILE A 60 10.525 5.161 -11.358 1.00 0.00 C ATOM 943 CD1 ILE A 60 9.747 3.970 -8.410 1.00 0.00 C ATOM 0 H ILE A 60 7.348 3.652 -11.112 1.00 0.00 H new ATOM 0 HA ILE A 60 9.435 3.707 -13.051 1.00 0.00 H new ATOM 0 HB ILE A 60 10.662 3.143 -10.654 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.507 5.033 -9.788 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.195 3.309 -9.722 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.056 5.591 -10.509 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.227 4.980 -12.172 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.753 5.854 -11.692 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.059 4.127 -7.579 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.206 2.985 -8.321 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.523 4.735 -8.388 1.00 0.00 H new ATOM 955 N THR A 61 10.753 1.440 -12.198 1.00 0.00 N ATOM 956 CA THR A 61 11.237 0.081 -12.244 1.00 0.00 C ATOM 957 C THR A 61 11.959 -0.256 -10.946 1.00 0.00 C ATOM 958 O THR A 61 13.163 -0.030 -10.823 1.00 0.00 O ATOM 959 CB THR A 61 12.196 -0.041 -13.412 1.00 0.00 C ATOM 960 OG1 THR A 61 12.877 1.184 -13.626 1.00 0.00 O ATOM 961 CG2 THR A 61 11.516 -0.417 -14.707 1.00 0.00 C ATOM 0 H THR A 61 11.491 2.144 -12.179 1.00 0.00 H new ATOM 0 HA THR A 61 10.403 -0.611 -12.367 1.00 0.00 H new ATOM 0 HB THR A 61 12.887 -0.839 -13.139 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.493 1.088 -14.382 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.259 -0.487 -15.501 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.018 -1.379 -14.590 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.780 0.344 -14.966 1.00 0.00 H new ATOM 969 N PRO A 62 11.228 -0.751 -9.937 1.00 0.00 N ATOM 970 CA PRO A 62 11.777 -1.058 -8.637 1.00 0.00 C ATOM 971 C PRO A 62 11.840 -2.543 -8.318 1.00 0.00 C ATOM 972 O PRO A 62 10.933 -3.295 -8.675 1.00 0.00 O ATOM 973 CB PRO A 62 10.700 -0.420 -7.774 1.00 0.00 C ATOM 974 CG PRO A 62 9.426 -0.804 -8.463 1.00 0.00 C ATOM 975 CD PRO A 62 9.777 -0.989 -9.926 1.00 0.00 C ATOM 0 HA PRO A 62 12.806 -0.719 -8.516 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.732 -0.794 -6.751 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.817 0.662 -7.721 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.017 -1.722 -8.042 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.668 -0.031 -8.339 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.527 -1.989 -10.280 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.245 -0.283 -10.564 1.00 0.00 H new ATOM 983 N GLN A 63 12.864 -2.953 -7.574 1.00 0.00 N ATOM 984 CA GLN A 63 12.940 -4.337 -7.148 1.00 0.00 C ATOM 985 C GLN A 63 11.911 -4.475 -6.047 1.00 0.00 C ATOM 986 O GLN A 63 12.218 -4.380 -4.859 1.00 0.00 O ATOM 987 CB GLN A 63 14.339 -4.687 -6.641 1.00 0.00 C ATOM 988 CG GLN A 63 15.450 -4.202 -7.555 1.00 0.00 C ATOM 989 CD GLN A 63 16.826 -4.369 -6.942 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.661 -3.465 -7.006 1.00 0.00 O ATOM 991 NE2 GLN A 63 17.071 -5.528 -6.342 1.00 0.00 N ATOM 0 H GLN A 63 13.633 -2.359 -7.262 1.00 0.00 H new ATOM 0 HA GLN A 63 12.743 -5.021 -7.973 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.478 -4.253 -5.651 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.417 -5.768 -6.529 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.407 -4.751 -8.496 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.287 -3.151 -7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.350 -6.249 -6.312 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.980 -5.697 -5.911 1.00 0.00 H new ATOM 1000 N HIS A 64 10.670 -4.616 -6.478 1.00 0.00 N ATOM 1001 CA HIS A 64 9.535 -4.673 -5.577 1.00 0.00 C ATOM 1002 C HIS A 64 8.755 -5.969 -5.742 1.00 0.00 C ATOM 1003 O HIS A 64 8.438 -6.381 -6.858 1.00 0.00 O ATOM 1004 CB HIS A 64 8.660 -3.452 -5.883 1.00 0.00 C ATOM 1005 CG HIS A 64 7.217 -3.564 -5.479 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.765 -4.402 -4.483 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.121 -2.930 -5.957 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.454 -4.282 -4.370 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.038 -3.393 -5.251 1.00 0.00 N ATOM 0 H HIS A 64 10.422 -4.694 -7.464 1.00 0.00 H new ATOM 0 HA HIS A 64 9.871 -4.655 -4.540 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.091 -2.585 -5.383 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.704 -3.257 -6.954 1.00 0.00 H new ATOM 0 HD1 HIS A 64 7.351 -5.019 -3.921 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.102 -2.195 -6.748 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.829 -4.821 -3.674 1.00 0.00 H new ATOM 1018 N PHE A 65 8.459 -6.612 -4.619 1.00 0.00 N ATOM 1019 CA PHE A 65 7.730 -7.865 -4.629 1.00 0.00 C ATOM 1020 C PHE A 65 7.448 -8.332 -3.192 1.00 0.00 C ATOM 1021 O PHE A 65 7.079 -7.530 -2.337 1.00 0.00 O ATOM 1022 CB PHE A 65 8.559 -8.899 -5.391 1.00 0.00 C ATOM 1023 CG PHE A 65 7.747 -9.932 -6.125 1.00 0.00 C ATOM 1024 CD1 PHE A 65 6.501 -10.323 -5.659 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.236 -10.511 -7.284 1.00 0.00 C ATOM 1026 CE1 PHE A 65 5.759 -11.272 -6.337 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.498 -11.461 -7.966 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.259 -11.842 -7.492 1.00 0.00 C ATOM 0 H PHE A 65 8.716 -6.281 -3.689 1.00 0.00 H new ATOM 0 HA PHE A 65 6.768 -7.736 -5.124 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.195 -8.379 -6.107 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.219 -9.407 -4.688 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.106 -9.881 -4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.205 -10.217 -7.660 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.789 -11.568 -5.964 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.891 -11.905 -8.869 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.681 -12.584 -8.023 1.00 0.00 H new ATOM 1038 N SER A 66 7.634 -9.625 -2.942 1.00 0.00 N ATOM 1039 CA SER A 66 7.426 -10.218 -1.626 1.00 0.00 C ATOM 1040 C SER A 66 6.061 -9.874 -1.048 1.00 0.00 C ATOM 1041 O SER A 66 5.323 -9.057 -1.598 1.00 0.00 O ATOM 1042 CB SER A 66 8.528 -9.769 -0.667 1.00 0.00 C ATOM 1043 OG SER A 66 8.855 -10.797 0.252 1.00 0.00 O ATOM 0 H SER A 66 7.935 -10.294 -3.651 1.00 0.00 H new ATOM 0 HA SER A 66 7.465 -11.300 -1.749 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.416 -9.488 -1.234 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.203 -8.882 -0.124 1.00 0.00 H new ATOM 0 HG SER A 66 9.563 -10.485 0.853 1.00 0.00 H new ATOM 1049 N LEU A 67 5.737 -10.510 0.071 1.00 0.00 N ATOM 1050 CA LEU A 67 4.469 -10.284 0.744 1.00 0.00 C ATOM 1051 C LEU A 67 4.677 -10.177 2.250 1.00 0.00 C ATOM 1052 O LEU A 67 5.096 -11.136 2.898 1.00 0.00 O ATOM 1053 CB LEU A 67 3.490 -11.416 0.425 1.00 0.00 C ATOM 1054 CG LEU A 67 2.174 -11.376 1.207 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.014 -11.814 0.326 1.00 0.00 C ATOM 1056 CD2 LEU A 67 2.266 -12.252 2.447 1.00 0.00 C ATOM 0 H LEU A 67 6.341 -11.190 0.532 1.00 0.00 H new ATOM 0 HA LEU A 67 4.049 -9.345 0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.262 -11.389 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.983 -12.368 0.622 1.00 0.00 H new ATOM 0 HG LEU A 67 1.993 -10.349 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.088 -11.779 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.935 -11.145 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.186 -12.832 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.322 -12.212 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.471 -13.281 2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.070 -11.892 3.088 1.00 0.00 H new ATOM 1068 N PHE A 68 4.385 -9.005 2.801 1.00 0.00 N ATOM 1069 CA PHE A 68 4.544 -8.778 4.231 1.00 0.00 C ATOM 1070 C PHE A 68 3.395 -9.435 4.995 1.00 0.00 C ATOM 1071 O PHE A 68 3.615 -10.269 5.874 1.00 0.00 O ATOM 1072 CB PHE A 68 4.607 -7.268 4.515 1.00 0.00 C ATOM 1073 CG PHE A 68 3.780 -6.810 5.686 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.271 -6.905 6.977 1.00 0.00 C ATOM 1075 CD2 PHE A 68 2.516 -6.279 5.490 1.00 0.00 C ATOM 1076 CE1 PHE A 68 3.515 -6.481 8.053 1.00 0.00 C ATOM 1077 CE2 PHE A 68 1.756 -5.850 6.562 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.255 -5.951 7.844 1.00 0.00 C ATOM 0 H PHE A 68 4.038 -8.199 2.280 1.00 0.00 H new ATOM 0 HA PHE A 68 5.477 -9.229 4.569 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.646 -6.989 4.691 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.279 -6.731 3.625 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.256 -7.315 7.145 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.120 -6.199 4.489 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.908 -6.563 9.056 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.772 -5.436 6.396 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.663 -5.617 8.683 1.00 0.00 H new ATOM 1088 N GLU A 69 2.174 -9.060 4.639 1.00 0.00 N ATOM 1089 CA GLU A 69 0.983 -9.615 5.269 1.00 0.00 C ATOM 1090 C GLU A 69 -0.266 -9.162 4.521 1.00 0.00 C ATOM 1091 O GLU A 69 -0.429 -7.981 4.236 1.00 0.00 O ATOM 1092 CB GLU A 69 0.905 -9.187 6.736 1.00 0.00 C ATOM 1093 CG GLU A 69 1.424 -10.238 7.704 1.00 0.00 C ATOM 1094 CD GLU A 69 0.585 -10.338 8.963 1.00 0.00 C ATOM 1095 OE1 GLU A 69 0.480 -9.325 9.687 1.00 0.00 O ATOM 1096 OE2 GLU A 69 0.034 -11.427 9.225 1.00 0.00 O ATOM 0 H GLU A 69 1.981 -8.370 3.913 1.00 0.00 H new ATOM 0 HA GLU A 69 1.043 -10.703 5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.477 -8.269 6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.131 -8.956 6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.442 -11.207 7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.452 -10.000 7.975 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.146 -10.100 4.207 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.373 -9.773 3.492 1.00 0.00 C ATOM 1105 C LYS A 70 -3.593 -10.279 4.256 1.00 0.00 C ATOM 1106 O LYS A 70 -3.630 -11.430 4.690 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.349 -10.379 2.086 1.00 0.00 C ATOM 1108 CG LYS A 70 -1.916 -11.837 2.053 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.070 -12.771 2.382 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.107 -13.965 1.441 1.00 0.00 C ATOM 1111 NZ LYS A 70 -4.059 -13.755 0.315 1.00 0.00 N ATOM 0 H LYS A 70 -1.036 -11.088 4.434 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.439 -8.688 3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.343 -10.295 1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.674 -9.795 1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.522 -12.078 1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.106 -11.993 2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.975 -13.120 3.410 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.011 -12.225 2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.108 -14.145 1.043 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.394 -14.857 1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.508 -14.660 0.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.790 -13.072 0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.545 -13.386 -0.510 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.591 -9.416 4.416 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.809 -9.788 5.127 1.00 0.00 C ATOM 1127 C LEU A 71 -7.039 -9.559 4.254 1.00 0.00 C ATOM 1128 O LEU A 71 -6.957 -8.932 3.198 1.00 0.00 O ATOM 1129 CB LEU A 71 -5.923 -9.014 6.451 1.00 0.00 C ATOM 1130 CG LEU A 71 -6.501 -7.593 6.366 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -5.885 -6.821 5.211 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -8.016 -7.638 6.235 1.00 0.00 C ATOM 0 H LEU A 71 -4.581 -8.458 4.065 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.756 -10.852 5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.544 -9.595 7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.930 -8.953 6.897 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.251 -7.071 7.290 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.312 -5.819 5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.807 -6.751 5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.094 -7.339 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.406 -6.622 6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.287 -8.184 5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.442 -8.141 7.104 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.176 -10.082 4.697 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.420 -9.944 3.955 1.00 0.00 C ATOM 1146 C GLU A 72 -10.590 -9.688 4.904 1.00 0.00 C ATOM 1147 O GLU A 72 -10.850 -10.473 5.813 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.670 -11.206 3.120 1.00 0.00 C ATOM 1149 CG GLU A 72 -11.132 -11.440 2.772 1.00 0.00 C ATOM 1150 CD GLU A 72 -11.314 -12.480 1.683 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -10.769 -12.283 0.578 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -12.002 -13.491 1.936 1.00 0.00 O ATOM 0 H GLU A 72 -8.261 -10.606 5.568 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.336 -9.088 3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.094 -11.138 2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.295 -12.071 3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.668 -11.758 3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.580 -10.500 2.450 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.295 -8.585 4.674 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.443 -8.223 5.497 1.00 0.00 C ATOM 1161 C TYR A 73 -13.551 -7.639 4.630 1.00 0.00 C ATOM 1162 O TYR A 73 -13.282 -7.011 3.606 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.034 -7.224 6.582 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.606 -5.876 6.045 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.526 -5.761 5.180 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.283 -4.718 6.405 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.131 -4.531 4.690 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -11.896 -3.484 5.919 1.00 0.00 C ATOM 1169 CZ TYR A 73 -10.820 -3.396 5.061 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.429 -2.169 4.575 1.00 0.00 O ATOM 0 H TYR A 73 -11.091 -7.926 3.923 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.817 -9.124 5.983 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.871 -7.083 7.266 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.216 -7.649 7.163 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.985 -6.648 4.885 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.126 -4.783 7.076 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.287 -4.459 4.020 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.433 -2.593 6.209 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.019 -1.473 4.932 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.797 -7.854 5.037 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.936 -7.348 4.278 1.00 0.00 C ATOM 1182 C GLU A 74 -16.796 -6.413 5.119 1.00 0.00 C ATOM 1183 O GLU A 74 -17.215 -6.754 6.225 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.788 -8.504 3.751 1.00 0.00 C ATOM 1185 CG GLU A 74 -17.103 -9.560 4.797 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.517 -10.883 4.184 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -16.622 -11.654 3.776 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -18.734 -11.150 4.113 1.00 0.00 O ATOM 0 H GLU A 74 -15.044 -8.371 5.881 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.541 -6.782 3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.723 -8.104 3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.268 -8.976 2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.227 -9.714 5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.902 -9.198 5.444 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.061 -5.235 4.570 1.00 0.00 N ATOM 1196 CA PHE A 75 -17.879 -4.234 5.237 1.00 0.00 C ATOM 1197 C PHE A 75 -19.356 -4.474 4.935 1.00 0.00 C ATOM 1198 O PHE A 75 -19.690 -5.190 3.993 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.467 -2.832 4.784 1.00 0.00 C ATOM 1200 CG PHE A 75 -16.711 -2.060 5.827 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -15.517 -2.546 6.337 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -17.192 -0.848 6.297 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -14.818 -1.838 7.296 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -16.497 -0.136 7.257 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.308 -0.632 7.757 1.00 0.00 C ATOM 0 H PHE A 75 -16.716 -4.948 3.654 1.00 0.00 H new ATOM 0 HA PHE A 75 -17.725 -4.314 6.313 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -16.851 -2.915 3.888 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.360 -2.272 4.506 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -15.129 -3.489 5.981 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -18.120 -0.455 5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -13.889 -2.228 7.685 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -16.883 0.807 7.616 1.00 0.00 H new ATOM 0 HZ PHE A 75 -14.763 -0.078 8.507 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.261 -3.879 5.733 1.00 0.00 N ATOM 1216 CA PRO A 76 -21.707 -4.026 5.548 1.00 0.00 C ATOM 1217 C PRO A 76 -22.137 -3.755 4.111 1.00 0.00 C ATOM 1218 O PRO A 76 -22.598 -2.662 3.782 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.313 -2.980 6.499 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.167 -2.140 6.961 1.00 0.00 C ATOM 1221 CD PRO A 76 -19.948 -3.011 6.867 1.00 0.00 C ATOM 0 HA PRO A 76 -22.037 -5.043 5.758 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.062 -2.374 5.988 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -22.812 -3.459 7.342 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.060 -1.251 6.339 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -21.323 -1.797 7.984 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.045 -2.426 6.692 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -19.786 -3.582 7.781 1.00 0.00 H new ATOM 1229 N ASP A 77 -21.973 -4.769 3.265 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.330 -4.691 1.844 1.00 0.00 C ATOM 1231 C ASP A 77 -21.164 -4.175 1.000 1.00 0.00 C ATOM 1232 O ASP A 77 -21.339 -3.837 -0.171 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.562 -3.803 1.629 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.398 -4.251 0.447 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -25.036 -5.321 0.542 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -24.415 -3.533 -0.575 1.00 0.00 O ATOM 0 H ASP A 77 -21.588 -5.672 3.543 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.568 -5.704 1.520 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.176 -3.814 2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.241 -2.773 1.474 1.00 0.00 H new ATOM 1241 N ARG A 78 -19.974 -4.120 1.595 1.00 0.00 N ATOM 1242 CA ARG A 78 -18.787 -3.653 0.887 1.00 0.00 C ATOM 1243 C ARG A 78 -17.583 -4.539 1.197 1.00 0.00 C ATOM 1244 O ARG A 78 -16.883 -4.323 2.186 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.479 -2.203 1.266 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.496 -1.523 0.327 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.565 -0.010 0.447 1.00 0.00 C ATOM 1248 NE ARG A 78 -16.297 0.626 0.095 1.00 0.00 N ATOM 1249 CZ ARG A 78 -15.254 0.706 0.918 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -15.322 0.192 2.140 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.138 1.302 0.519 1.00 0.00 N ATOM 0 H ARG A 78 -19.808 -4.393 2.564 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.989 -3.707 -0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.409 -1.634 1.279 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.077 -2.179 2.279 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.484 -1.861 0.551 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -17.710 -1.817 -0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.354 0.370 -0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -17.835 0.261 1.468 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.206 1.032 -0.836 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.177 -0.268 2.453 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.519 0.257 2.766 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.079 1.699 -0.419 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.339 1.363 1.150 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.343 -5.534 0.349 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.221 -6.445 0.540 1.00 0.00 C ATOM 1267 C HIS A 79 -14.912 -5.789 0.119 1.00 0.00 C ATOM 1268 O HIS A 79 -14.667 -5.578 -1.068 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.441 -7.734 -0.256 1.00 0.00 C ATOM 1270 CG HIS A 79 -17.757 -8.392 0.019 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -18.918 -8.060 -0.647 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -18.094 -9.368 0.895 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -19.912 -8.803 -0.193 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -19.438 -9.605 0.742 1.00 0.00 N ATOM 0 H HIS A 79 -17.910 -5.729 -0.476 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.159 -6.689 1.601 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -16.372 -7.510 -1.320 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -15.639 -8.435 -0.025 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -18.997 -7.351 -1.376 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -17.430 -9.867 1.585 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -20.937 -8.761 -0.530 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.075 -5.461 1.099 1.00 0.00 N ATOM 1284 CA ILE A 80 -12.798 -4.825 0.828 1.00 0.00 C ATOM 1285 C ILE A 80 -11.633 -5.768 1.128 1.00 0.00 C ATOM 1286 O ILE A 80 -11.380 -6.110 2.283 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.643 -3.530 1.655 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.211 -3.010 1.570 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.034 -3.774 3.104 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -11.097 -1.510 1.731 1.00 0.00 C ATOM 0 H ILE A 80 -14.262 -5.627 2.088 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.779 -4.575 -0.233 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.310 -2.774 1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.611 -3.496 2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.787 -3.296 0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.919 -2.851 3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.073 -4.101 3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.391 -4.545 3.529 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.050 -1.215 1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.668 -1.015 0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.490 -1.218 2.705 1.00 0.00 H new ATOM 1302 N THR A 81 -10.923 -6.173 0.080 1.00 0.00 N ATOM 1303 CA THR A 81 -9.779 -7.064 0.225 1.00 0.00 C ATOM 1304 C THR A 81 -8.486 -6.256 0.260 1.00 0.00 C ATOM 1305 O THR A 81 -8.162 -5.552 -0.695 1.00 0.00 O ATOM 1306 CB THR A 81 -9.744 -8.058 -0.938 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.616 -7.649 -1.976 1.00 0.00 O ATOM 1308 CG2 THR A 81 -10.139 -9.463 -0.538 1.00 0.00 C ATOM 0 H THR A 81 -11.121 -5.897 -0.882 1.00 0.00 H new ATOM 0 HA THR A 81 -9.875 -7.614 1.161 1.00 0.00 H new ATOM 0 HB THR A 81 -8.707 -8.069 -1.274 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.381 -8.260 -2.020 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.093 -10.116 -1.409 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.454 -9.830 0.227 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.155 -9.457 -0.143 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.750 -6.349 1.365 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.503 -5.604 1.504 1.00 0.00 C ATOM 1318 C LEU A 82 -5.288 -6.526 1.518 1.00 0.00 C ATOM 1319 O LEU A 82 -5.101 -7.310 2.447 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.528 -4.772 2.786 1.00 0.00 C ATOM 1321 CG LEU A 82 -7.247 -3.427 2.674 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -7.438 -2.813 4.052 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.472 -2.483 1.768 1.00 0.00 C ATOM 0 H LEU A 82 -7.993 -6.927 2.169 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.417 -4.947 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.006 -5.358 3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.501 -4.592 3.104 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.230 -3.594 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.951 -1.856 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.034 -3.484 4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.465 -2.658 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.998 -1.531 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.476 -2.319 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.385 -2.922 0.774 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.454 -6.412 0.486 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.246 -7.222 0.392 1.00 0.00 C ATOM 1337 C TRP A 83 -2.014 -6.337 0.451 1.00 0.00 C ATOM 1338 O TRP A 83 -1.841 -5.435 -0.368 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.230 -8.037 -0.904 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.355 -9.013 -0.993 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.640 -8.795 -0.608 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.304 -10.355 -1.488 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.399 -9.913 -0.833 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.602 -10.888 -1.374 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.290 -11.159 -2.017 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.912 -12.187 -1.770 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.599 -12.447 -2.409 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.899 -12.950 -2.284 1.00 0.00 C ATOM 0 H TRP A 83 -4.594 -5.769 -0.293 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.238 -7.911 1.236 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.278 -7.357 -1.755 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.284 -8.574 -0.978 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.010 -7.873 -0.185 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.395 -10.005 -0.631 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.284 -10.780 -2.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.914 -12.577 -1.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.824 -13.077 -2.819 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.107 -13.962 -2.600 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.160 -6.606 1.424 1.00 0.00 N ATOM 1360 CA PHE A 84 0.068 -5.833 1.592 1.00 0.00 C ATOM 1361 C PHE A 84 1.288 -6.640 1.146 1.00 0.00 C ATOM 1362 O PHE A 84 1.538 -7.736 1.646 1.00 0.00 O ATOM 1363 CB PHE A 84 0.246 -5.375 3.049 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.633 -4.219 3.460 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -1.706 -3.818 2.676 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.383 -3.534 4.643 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.508 -2.760 3.062 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.184 -2.477 5.030 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.248 -2.090 4.239 1.00 0.00 C ATOM 0 H PHE A 84 -1.290 -7.350 2.109 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.017 -4.948 0.961 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.044 -6.219 3.708 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.288 -5.094 3.202 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.917 -4.339 1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.447 -3.831 5.267 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.339 -2.458 2.441 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.978 -1.953 5.952 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.875 -1.264 4.542 1.00 0.00 H new ATOM 1379 N TRP A 85 2.043 -6.085 0.199 1.00 0.00 N ATOM 1380 CA TRP A 85 3.239 -6.741 -0.325 1.00 0.00 C ATOM 1381 C TRP A 85 4.500 -6.077 0.223 1.00 0.00 C ATOM 1382 O TRP A 85 4.496 -4.883 0.520 1.00 0.00 O ATOM 1383 CB TRP A 85 3.222 -6.718 -1.854 1.00 0.00 C ATOM 1384 CG TRP A 85 2.017 -7.405 -2.424 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.718 -7.000 -2.314 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.995 -8.623 -3.177 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.109 -7.891 -2.952 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.650 -8.895 -3.492 1.00 0.00 C ATOM 1389 CE3 TRP A 85 2.980 -9.509 -3.617 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.268 -10.016 -4.225 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.600 -10.622 -4.345 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.255 -10.866 -4.643 1.00 0.00 C ATOM 0 H TRP A 85 1.846 -5.177 -0.223 1.00 0.00 H new ATOM 0 HA TRP A 85 3.243 -7.781 0.002 1.00 0.00 H new ATOM 0 HB2 TRP A 85 3.244 -5.684 -2.199 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.124 -7.200 -2.232 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.389 -6.109 -1.800 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.124 -7.817 -3.014 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.021 -9.328 -3.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.770 -10.207 -4.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.354 -11.314 -4.689 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.991 -11.743 -5.215 1.00 0.00 H new ATOM 1403 N LEU A 86 5.573 -6.856 0.388 1.00 0.00 N ATOM 1404 CA LEU A 86 6.813 -6.313 0.940 1.00 0.00 C ATOM 1405 C LEU A 86 7.830 -5.967 -0.147 1.00 0.00 C ATOM 1406 O LEU A 86 8.502 -6.835 -0.700 1.00 0.00 O ATOM 1407 CB LEU A 86 7.414 -7.294 1.949 1.00 0.00 C ATOM 1408 CG LEU A 86 8.775 -6.896 2.534 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.899 -7.260 1.579 1.00 0.00 C ATOM 1410 CD2 LEU A 86 8.809 -5.408 2.859 1.00 0.00 C ATOM 0 H LEU A 86 5.607 -7.848 0.151 1.00 0.00 H new ATOM 0 HA LEU A 86 6.564 -5.382 1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.709 -7.419 2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.517 -8.266 1.466 1.00 0.00 H new ATOM 0 HG LEU A 86 8.920 -7.451 3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.855 -6.969 2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.893 -8.336 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.757 -6.737 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.783 -5.148 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.636 -4.833 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.032 -5.177 3.588 1.00 0.00 H new ATOM 1422 N VAL A 87 7.940 -4.674 -0.418 1.00 0.00 N ATOM 1423 CA VAL A 87 8.867 -4.139 -1.412 1.00 0.00 C ATOM 1424 C VAL A 87 10.249 -3.984 -0.830 1.00 0.00 C ATOM 1425 O VAL A 87 10.392 -3.696 0.358 1.00 0.00 O ATOM 1426 CB VAL A 87 8.412 -2.773 -1.901 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.250 -2.307 -3.079 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.935 -2.818 -2.250 1.00 0.00 C ATOM 0 H VAL A 87 7.384 -3.958 0.049 1.00 0.00 H new ATOM 0 HA VAL A 87 8.886 -4.846 -2.241 1.00 0.00 H new ATOM 0 HB VAL A 87 8.555 -2.046 -1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.902 -1.328 -3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.295 -2.239 -2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.154 -3.020 -3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.614 -1.837 -2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.769 -3.556 -3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.360 -3.094 -1.366 1.00 0.00 H new ATOM 1438 N GLU A 88 11.271 -4.194 -1.646 1.00 0.00 N ATOM 1439 CA GLU A 88 12.627 -4.081 -1.134 1.00 0.00 C ATOM 1440 C GLU A 88 13.427 -2.917 -1.736 1.00 0.00 C ATOM 1441 O GLU A 88 14.368 -2.435 -1.105 1.00 0.00 O ATOM 1442 CB GLU A 88 13.379 -5.398 -1.343 1.00 0.00 C ATOM 1443 CG GLU A 88 14.837 -5.351 -0.909 1.00 0.00 C ATOM 1444 CD GLU A 88 14.996 -5.262 0.596 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.016 -4.895 1.277 1.00 0.00 O ATOM 1446 OE2 GLU A 88 16.102 -5.562 1.094 1.00 0.00 O ATOM 0 H GLU A 88 11.193 -4.436 -2.634 1.00 0.00 H new ATOM 0 HA GLU A 88 12.531 -3.864 -0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.871 -6.187 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.333 -5.668 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.349 -6.242 -1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.323 -4.493 -1.373 1.00 0.00 H new ATOM 1453 N ARG A 89 13.088 -2.470 -2.942 1.00 0.00 N ATOM 1454 CA ARG A 89 13.837 -1.378 -3.561 1.00 0.00 C ATOM 1455 C ARG A 89 13.052 -0.738 -4.701 1.00 0.00 C ATOM 1456 O ARG A 89 12.138 -1.346 -5.253 1.00 0.00 O ATOM 1457 CB ARG A 89 15.193 -1.909 -4.057 1.00 0.00 C ATOM 1458 CG ARG A 89 15.826 -1.110 -5.191 1.00 0.00 C ATOM 1459 CD ARG A 89 16.476 0.167 -4.686 1.00 0.00 C ATOM 1460 NE ARG A 89 17.932 0.122 -4.798 1.00 0.00 N ATOM 1461 CZ ARG A 89 18.713 1.199 -4.762 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.182 2.407 -4.616 1.00 0.00 N ATOM 1463 NH2 ARG A 89 20.028 1.069 -4.872 1.00 0.00 N ATOM 0 H ARG A 89 12.317 -2.836 -3.501 1.00 0.00 H new ATOM 0 HA ARG A 89 14.005 -0.602 -2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.887 -1.929 -3.217 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.063 -2.939 -4.388 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.573 -1.723 -5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.065 -0.863 -5.931 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.095 1.016 -5.253 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.197 0.328 -3.645 1.00 0.00 H new ATOM 0 HE ARG A 89 18.376 -0.789 -4.910 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.171 2.513 -4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.785 3.229 -4.589 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.441 0.143 -4.984 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.626 1.895 -4.844 1.00 0.00 H new ATOM 1477 N TRP A 90 13.432 0.489 -5.059 1.00 0.00 N ATOM 1478 CA TRP A 90 12.778 1.198 -6.148 1.00 0.00 C ATOM 1479 C TRP A 90 13.720 2.211 -6.798 1.00 0.00 C ATOM 1480 O TRP A 90 14.276 3.077 -6.124 1.00 0.00 O ATOM 1481 CB TRP A 90 11.485 1.868 -5.655 1.00 0.00 C ATOM 1482 CG TRP A 90 11.657 3.256 -5.120 1.00 0.00 C ATOM 1483 CD1 TRP A 90 11.922 4.386 -5.839 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.548 3.663 -3.754 1.00 0.00 C ATOM 1485 NE1 TRP A 90 11.988 5.470 -5.001 1.00 0.00 N ATOM 1486 CE2 TRP A 90 11.760 5.053 -3.717 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.293 2.986 -2.559 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 11.721 5.778 -2.532 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.255 3.707 -1.382 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.465 5.091 -1.376 1.00 0.00 C ATOM 0 H TRP A 90 14.187 1.007 -4.610 1.00 0.00 H new ATOM 0 HA TRP A 90 12.510 0.471 -6.914 1.00 0.00 H new ATOM 0 HB2 TRP A 90 10.772 1.898 -6.479 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.045 1.246 -4.875 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.059 4.421 -6.910 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.176 6.431 -5.288 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.129 1.919 -2.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 11.887 6.845 -2.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.060 3.195 -0.451 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.424 5.628 -0.440 1.00 0.00 H new ATOM 1501 N GLU A 91 13.901 2.086 -8.114 1.00 0.00 N ATOM 1502 CA GLU A 91 14.781 2.986 -8.852 1.00 0.00 C ATOM 1503 C GLU A 91 14.139 4.358 -9.028 1.00 0.00 C ATOM 1504 O GLU A 91 12.922 4.473 -9.161 1.00 0.00 O ATOM 1505 CB GLU A 91 15.121 2.390 -10.220 1.00 0.00 C ATOM 1506 CG GLU A 91 16.030 1.174 -10.144 1.00 0.00 C ATOM 1507 CD GLU A 91 16.876 1.000 -11.389 1.00 0.00 C ATOM 1508 OE1 GLU A 91 16.461 1.487 -12.462 1.00 0.00 O ATOM 1509 OE2 GLU A 91 17.955 0.377 -11.292 1.00 0.00 O ATOM 0 H GLU A 91 13.451 1.372 -8.687 1.00 0.00 H new ATOM 0 HA GLU A 91 15.698 3.108 -8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.197 2.111 -10.726 1.00 0.00 H new ATOM 0 HB3 GLU A 91 15.601 3.154 -10.831 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.683 1.267 -9.276 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.424 0.281 -9.993 1.00 0.00 H new ATOM 1516 N GLY A 92 14.971 5.396 -9.028 1.00 0.00 N ATOM 1517 CA GLY A 92 14.469 6.749 -9.190 1.00 0.00 C ATOM 1518 C GLY A 92 13.433 7.114 -8.145 1.00 0.00 C ATOM 1519 O GLY A 92 13.645 6.903 -6.951 1.00 0.00 O ATOM 0 H GLY A 92 15.983 5.324 -8.919 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.301 7.451 -9.132 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.031 6.854 -10.183 1.00 0.00 H new ATOM 1523 N GLU A 93 12.308 7.660 -8.596 1.00 0.00 N ATOM 1524 CA GLU A 93 11.234 8.053 -7.691 1.00 0.00 C ATOM 1525 C GLU A 93 9.939 7.324 -8.041 1.00 0.00 C ATOM 1526 O GLU A 93 9.654 7.082 -9.214 1.00 0.00 O ATOM 1527 CB GLU A 93 11.014 9.565 -7.752 1.00 0.00 C ATOM 1528 CG GLU A 93 12.298 10.372 -7.643 1.00 0.00 C ATOM 1529 CD GLU A 93 12.044 11.866 -7.583 1.00 0.00 C ATOM 1530 OE1 GLU A 93 11.276 12.372 -8.427 1.00 0.00 O ATOM 1531 OE2 GLU A 93 12.614 12.529 -6.691 1.00 0.00 O ATOM 0 H GLU A 93 12.117 7.840 -9.582 1.00 0.00 H new ATOM 0 HA GLU A 93 11.525 7.777 -6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.517 9.814 -8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.341 9.859 -6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.842 10.063 -6.750 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.936 10.150 -8.498 1.00 0.00 H new ATOM 1538 N PRO A 94 9.125 6.970 -7.029 1.00 0.00 N ATOM 1539 CA PRO A 94 7.855 6.280 -7.236 1.00 0.00 C ATOM 1540 C PRO A 94 6.780 7.231 -7.730 1.00 0.00 C ATOM 1541 O PRO A 94 6.555 8.285 -7.133 1.00 0.00 O ATOM 1542 CB PRO A 94 7.495 5.736 -5.840 1.00 0.00 C ATOM 1543 CG PRO A 94 8.657 6.069 -4.958 1.00 0.00 C ATOM 1544 CD PRO A 94 9.355 7.226 -5.607 1.00 0.00 C ATOM 0 HA PRO A 94 7.930 5.499 -7.992 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.578 6.193 -5.467 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.325 4.660 -5.872 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.322 6.330 -3.954 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.328 5.216 -4.859 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.936 8.182 -5.293 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.417 7.248 -5.364 1.00 0.00 H new ATOM 1552 N TRP A 95 6.112 6.865 -8.815 1.00 0.00 N ATOM 1553 CA TRP A 95 5.064 7.712 -9.358 1.00 0.00 C ATOM 1554 C TRP A 95 3.830 6.910 -9.730 1.00 0.00 C ATOM 1555 O TRP A 95 2.734 7.173 -9.235 1.00 0.00 O ATOM 1556 CB TRP A 95 5.563 8.493 -10.578 1.00 0.00 C ATOM 1557 CG TRP A 95 6.233 7.661 -11.643 1.00 0.00 C ATOM 1558 CD1 TRP A 95 7.565 7.391 -11.748 1.00 0.00 C ATOM 1559 CD2 TRP A 95 5.607 7.014 -12.764 1.00 0.00 C ATOM 1560 NE1 TRP A 95 7.814 6.636 -12.874 1.00 0.00 N ATOM 1561 CE2 TRP A 95 6.629 6.395 -13.513 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.287 6.901 -13.209 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.370 5.684 -14.683 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.032 6.190 -14.367 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.069 5.594 -15.095 1.00 0.00 C ATOM 0 H TRP A 95 6.275 5.999 -9.329 1.00 0.00 H new ATOM 0 HA TRP A 95 4.789 8.418 -8.574 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.717 9.015 -11.026 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.265 9.255 -10.239 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.318 7.722 -11.048 1.00 0.00 H new ATOM 0 HE1 TRP A 95 8.731 6.311 -13.180 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.480 7.361 -12.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.168 5.221 -15.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.015 6.093 -14.716 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.837 5.052 -16.000 1.00 0.00 H new ATOM 1576 N GLY A 96 4.015 5.936 -10.609 1.00 0.00 N ATOM 1577 CA GLY A 96 2.906 5.103 -11.050 1.00 0.00 C ATOM 1578 C GLY A 96 1.652 5.901 -11.363 1.00 0.00 C ATOM 1579 O GLY A 96 1.487 6.407 -12.473 1.00 0.00 O ATOM 0 H GLY A 96 4.915 5.704 -11.028 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.207 4.547 -11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.680 4.370 -10.276 1.00 0.00 H new ATOM 1583 N LYS A 97 0.765 6.008 -10.378 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.483 6.743 -10.544 1.00 0.00 C ATOM 1585 C LYS A 97 -1.282 6.766 -9.243 1.00 0.00 C ATOM 1586 O LYS A 97 -2.513 6.774 -9.260 1.00 0.00 O ATOM 1587 CB LYS A 97 -1.321 6.123 -11.663 1.00 0.00 C ATOM 1588 CG LYS A 97 -2.042 7.148 -12.524 1.00 0.00 C ATOM 1589 CD LYS A 97 -3.507 7.274 -12.134 1.00 0.00 C ATOM 1590 CE LYS A 97 -4.331 7.877 -13.260 1.00 0.00 C ATOM 1591 NZ LYS A 97 -5.749 8.090 -12.857 1.00 0.00 N ATOM 0 H LYS A 97 0.889 5.593 -9.454 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.236 7.770 -10.813 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.673 5.519 -12.298 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.056 5.449 -11.224 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.553 8.117 -12.423 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.967 6.861 -13.573 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.903 6.291 -11.878 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.596 7.896 -11.243 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.892 8.828 -13.562 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.295 7.220 -14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.278 8.502 -13.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.176 7.179 -12.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.785 8.738 -12.044 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.574 6.780 -8.118 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.217 6.808 -6.808 1.00 0.00 C ATOM 1607 C GLU A 98 -1.863 8.169 -6.563 1.00 0.00 C ATOM 1608 O GLU A 98 -2.956 8.258 -6.004 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.194 6.501 -5.711 1.00 0.00 C ATOM 1610 CG GLU A 98 1.098 7.291 -5.841 1.00 0.00 C ATOM 1611 CD GLU A 98 1.953 7.224 -4.592 1.00 0.00 C ATOM 1612 OE1 GLU A 98 1.946 6.169 -3.923 1.00 0.00 O ATOM 1613 OE2 GLU A 98 2.631 8.226 -4.282 1.00 0.00 O ATOM 0 H GLU A 98 0.445 6.772 -8.087 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.995 6.045 -6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.642 6.712 -4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.038 5.436 -5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.669 6.909 -6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.862 8.332 -6.059 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.183 9.225 -7.001 1.00 0.00 N ATOM 1621 CA GLY A 99 -1.706 10.571 -6.839 1.00 0.00 C ATOM 1622 C GLY A 99 -1.472 11.144 -5.454 1.00 0.00 C ATOM 1623 O GLY A 99 -2.165 12.072 -5.039 1.00 0.00 O ATOM 0 H GLY A 99 -0.277 9.172 -7.466 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.242 11.225 -7.578 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.776 10.565 -7.046 1.00 0.00 H new ATOM 1627 N GLN A 100 -0.496 10.598 -4.734 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.188 11.078 -3.391 1.00 0.00 C ATOM 1629 C GLN A 100 1.315 11.116 -3.144 1.00 0.00 C ATOM 1630 O GLN A 100 1.910 10.134 -2.701 1.00 0.00 O ATOM 1631 CB GLN A 100 -0.870 10.197 -2.340 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.387 10.202 -2.431 1.00 0.00 C ATOM 1633 CD GLN A 100 -2.977 8.805 -2.461 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -3.208 8.236 -1.283 1.00 0.00 O flip ATOM 1635 NE2 GLN A 100 -3.223 8.246 -3.528 1.00 0.00 N flip ATOM 0 H GLN A 100 0.091 9.828 -5.055 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.570 12.095 -3.308 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.512 9.173 -2.449 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.573 10.535 -1.347 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.796 10.746 -1.580 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.691 10.740 -3.329 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.029 8.721 -4.409 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.621 7.307 -3.532 1.00 0.00 H new ATOM 1644 N PRO A 101 1.945 12.269 -3.421 1.00 0.00 N ATOM 1645 CA PRO A 101 3.386 12.459 -3.223 1.00 0.00 C ATOM 1646 C PRO A 101 3.876 11.893 -1.891 1.00 0.00 C ATOM 1647 O PRO A 101 3.229 12.064 -0.858 1.00 0.00 O ATOM 1648 CB PRO A 101 3.512 13.978 -3.232 1.00 0.00 C ATOM 1649 CG PRO A 101 2.455 14.425 -4.175 1.00 0.00 C ATOM 1650 CD PRO A 101 1.299 13.490 -3.950 1.00 0.00 C ATOM 0 HA PRO A 101 3.983 11.947 -3.977 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.361 14.396 -2.237 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.501 14.294 -3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.168 15.459 -3.982 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.803 14.378 -5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.580 13.903 -3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.758 13.290 -4.875 1.00 0.00 H new ATOM 1658 N GLY A 102 5.020 11.216 -1.923 1.00 0.00 N ATOM 1659 CA GLY A 102 5.574 10.636 -0.711 1.00 0.00 C ATOM 1660 C GLY A 102 7.061 10.903 -0.555 1.00 0.00 C ATOM 1661 O GLY A 102 7.686 11.504 -1.429 1.00 0.00 O ATOM 0 H GLY A 102 5.573 11.058 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.045 11.038 0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.402 9.560 -0.718 1.00 0.00 H new ATOM 1665 N GLU A 103 7.623 10.453 0.563 1.00 0.00 N ATOM 1666 CA GLU A 103 9.045 10.639 0.841 1.00 0.00 C ATOM 1667 C GLU A 103 9.605 9.436 1.595 1.00 0.00 C ATOM 1668 O GLU A 103 8.859 8.696 2.236 1.00 0.00 O ATOM 1669 CB GLU A 103 9.265 11.915 1.657 1.00 0.00 C ATOM 1670 CG GLU A 103 10.660 12.501 1.504 1.00 0.00 C ATOM 1671 CD GLU A 103 10.839 13.790 2.282 1.00 0.00 C ATOM 1672 OE1 GLU A 103 10.494 13.812 3.482 1.00 0.00 O ATOM 1673 OE2 GLU A 103 11.323 14.777 1.690 1.00 0.00 O ATOM 0 H GLU A 103 7.114 9.955 1.294 1.00 0.00 H new ATOM 0 HA GLU A 103 9.571 10.732 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.531 12.662 1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.084 11.699 2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.396 11.771 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.858 12.687 0.448 1.00 0.00 H new ATOM 1680 N TRP A 104 10.918 9.237 1.513 1.00 0.00 N ATOM 1681 CA TRP A 104 11.555 8.110 2.194 1.00 0.00 C ATOM 1682 C TRP A 104 11.366 8.223 3.705 1.00 0.00 C ATOM 1683 O TRP A 104 12.000 9.050 4.359 1.00 0.00 O ATOM 1684 CB TRP A 104 13.054 8.052 1.856 1.00 0.00 C ATOM 1685 CG TRP A 104 13.361 8.429 0.440 1.00 0.00 C ATOM 1686 CD1 TRP A 104 12.612 8.138 -0.661 1.00 0.00 C ATOM 1687 CD2 TRP A 104 14.496 9.166 -0.027 1.00 0.00 C ATOM 1688 NE1 TRP A 104 13.211 8.648 -1.788 1.00 0.00 N ATOM 1689 CE2 TRP A 104 14.369 9.284 -1.425 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.607 9.738 0.598 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 15.311 9.950 -2.204 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.541 10.399 -0.176 1.00 0.00 C ATOM 1693 CH2 TRP A 104 16.388 10.501 -1.564 1.00 0.00 C ATOM 0 H TRP A 104 11.557 9.834 0.988 1.00 0.00 H new ATOM 0 HA TRP A 104 11.082 7.191 1.848 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.596 8.719 2.527 1.00 0.00 H new ATOM 0 HB3 TRP A 104 13.422 7.043 2.043 1.00 0.00 H new ATOM 0 HD1 TRP A 104 11.683 7.587 -0.649 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.852 8.566 -2.739 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.733 9.665 1.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 15.196 10.029 -3.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.403 10.844 0.297 1.00 0.00 H new ATOM 0 HH2 TRP A 104 17.135 11.025 -2.141 1.00 0.00 H new ATOM 1704 N MET A 105 10.494 7.379 4.253 1.00 0.00 N ATOM 1705 CA MET A 105 10.226 7.378 5.689 1.00 0.00 C ATOM 1706 C MET A 105 10.562 6.022 6.298 1.00 0.00 C ATOM 1707 O MET A 105 10.408 4.986 5.652 1.00 0.00 O ATOM 1708 CB MET A 105 8.762 7.729 5.983 1.00 0.00 C ATOM 1709 CG MET A 105 8.008 8.310 4.796 1.00 0.00 C ATOM 1710 SD MET A 105 6.356 8.883 5.236 1.00 0.00 S ATOM 1711 CE MET A 105 6.429 10.585 4.681 1.00 0.00 C ATOM 0 H MET A 105 9.962 6.688 3.725 1.00 0.00 H new ATOM 0 HA MET A 105 10.861 8.140 6.141 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.246 6.831 6.322 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.730 8.444 6.805 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.578 9.141 4.380 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.930 7.554 4.015 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.665 11.168 5.195 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.413 10.998 4.904 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.254 10.625 3.606 1.00 0.00 H new ATOM 1721 N SER A 106 11.012 6.034 7.547 1.00 0.00 N ATOM 1722 CA SER A 106 11.362 4.801 8.242 1.00 0.00 C ATOM 1723 C SER A 106 10.109 4.033 8.646 1.00 0.00 C ATOM 1724 O SER A 106 9.322 4.499 9.471 1.00 0.00 O ATOM 1725 CB SER A 106 12.210 5.109 9.478 1.00 0.00 C ATOM 1726 OG SER A 106 13.398 4.337 9.487 1.00 0.00 O ATOM 0 H SER A 106 11.143 6.882 8.098 1.00 0.00 H new ATOM 0 HA SER A 106 11.943 4.180 7.560 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.462 6.169 9.495 1.00 0.00 H new ATOM 0 HB3 SER A 106 11.632 4.904 10.379 1.00 0.00 H new ATOM 0 HG SER A 106 14.149 4.889 9.184 1.00 0.00 H new ATOM 1732 N LEU A 107 9.928 2.854 8.060 1.00 0.00 N ATOM 1733 CA LEU A 107 8.766 2.023 8.365 1.00 0.00 C ATOM 1734 C LEU A 107 8.963 1.254 9.669 1.00 0.00 C ATOM 1735 O LEU A 107 7.998 0.785 10.273 1.00 0.00 O ATOM 1736 CB LEU A 107 8.490 1.048 7.220 1.00 0.00 C ATOM 1737 CG LEU A 107 7.331 0.077 7.460 1.00 0.00 C ATOM 1738 CD1 LEU A 107 5.999 0.806 7.375 1.00 0.00 C ATOM 1739 CD2 LEU A 107 7.379 -1.068 6.460 1.00 0.00 C ATOM 0 H LEU A 107 10.567 2.453 7.374 1.00 0.00 H new ATOM 0 HA LEU A 107 7.907 2.684 8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.282 1.622 6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.394 0.470 7.029 1.00 0.00 H new ATOM 0 HG LEU A 107 7.432 -0.339 8.463 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.186 0.100 7.548 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.965 1.591 8.130 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.890 1.250 6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 107 6.548 -1.748 6.646 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.304 -0.671 5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 107 8.320 -1.607 6.569 1.00 0.00 H new ATOM 1751 N VAL A 108 10.216 1.129 10.102 1.00 0.00 N ATOM 1752 CA VAL A 108 10.533 0.417 11.335 1.00 0.00 C ATOM 1753 C VAL A 108 9.676 0.906 12.501 1.00 0.00 C ATOM 1754 O VAL A 108 9.474 0.185 13.478 1.00 0.00 O ATOM 1755 CB VAL A 108 12.019 0.575 11.707 1.00 0.00 C ATOM 1756 CG1 VAL A 108 12.376 -0.320 12.885 1.00 0.00 C ATOM 1757 CG2 VAL A 108 12.905 0.270 10.509 1.00 0.00 C ATOM 0 H VAL A 108 11.027 1.512 9.616 1.00 0.00 H new ATOM 0 HA VAL A 108 10.317 -0.635 11.151 1.00 0.00 H new ATOM 0 HB VAL A 108 12.191 1.610 12.003 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.430 -0.193 13.132 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.766 -0.048 13.747 1.00 0.00 H new ATOM 0 HG13 VAL A 108 12.188 -1.361 12.621 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.951 0.387 10.791 1.00 0.00 H new ATOM 0 HG22 VAL A 108 12.730 -0.754 10.179 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.669 0.958 9.697 1.00 0.00 H new ATOM 1767 N GLY A 109 9.173 2.133 12.393 1.00 0.00 N ATOM 1768 CA GLY A 109 8.346 2.689 13.445 1.00 0.00 C ATOM 1769 C GLY A 109 7.079 3.328 12.910 1.00 0.00 C ATOM 1770 O GLY A 109 6.736 4.449 13.282 1.00 0.00 O ATOM 0 H GLY A 109 9.324 2.750 11.595 1.00 0.00 H new ATOM 0 HA2 GLY A 109 8.082 1.901 14.150 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.919 3.433 13.998 1.00 0.00 H new ATOM 1774 N LEU A 110 6.382 2.608 12.037 1.00 0.00 N ATOM 1775 CA LEU A 110 5.142 3.109 11.452 1.00 0.00 C ATOM 1776 C LEU A 110 4.093 3.330 12.535 1.00 0.00 C ATOM 1777 O LEU A 110 4.099 2.651 13.562 1.00 0.00 O ATOM 1778 CB LEU A 110 4.611 2.130 10.404 1.00 0.00 C ATOM 1779 CG LEU A 110 3.334 2.575 9.692 1.00 0.00 C ATOM 1780 CD1 LEU A 110 3.335 2.099 8.248 1.00 0.00 C ATOM 1781 CD2 LEU A 110 2.105 2.056 10.425 1.00 0.00 C ATOM 0 H LEU A 110 6.653 1.678 11.719 1.00 0.00 H new ATOM 0 HA LEU A 110 5.354 4.062 10.967 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.387 1.965 9.657 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.424 1.171 10.887 1.00 0.00 H new ATOM 0 HG LEU A 110 3.301 3.664 9.695 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.418 2.425 7.757 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.195 2.519 7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.392 1.011 8.224 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.205 2.383 9.904 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.132 0.967 10.454 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.096 2.446 11.443 1.00 0.00 H new ATOM 1793 N ASN A 111 3.203 4.293 12.314 1.00 0.00 N ATOM 1794 CA ASN A 111 2.168 4.604 13.291 1.00 0.00 C ATOM 1795 C ASN A 111 0.768 4.494 12.700 1.00 0.00 C ATOM 1796 O ASN A 111 0.498 4.988 11.606 1.00 0.00 O ATOM 1797 CB ASN A 111 2.387 6.010 13.847 1.00 0.00 C ATOM 1798 CG ASN A 111 2.701 6.006 15.330 1.00 0.00 C ATOM 1799 OD1 ASN A 111 1.805 5.880 16.166 1.00 0.00 O ATOM 1800 ND2 ASN A 111 3.978 6.145 15.665 1.00 0.00 N ATOM 0 H ASN A 111 3.178 4.868 11.472 1.00 0.00 H new ATOM 0 HA ASN A 111 2.243 3.870 14.094 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.205 6.487 13.307 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.495 6.610 13.670 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.250 6.150 16.648 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.688 6.246 14.939 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.127 3.859 13.454 1.00 0.00 N ATOM 1808 CA ALA A 112 -1.511 3.702 13.032 1.00 0.00 C ATOM 1809 C ALA A 112 -2.252 5.040 13.115 1.00 0.00 C ATOM 1810 O ALA A 112 -3.341 5.197 12.566 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.215 2.650 13.879 1.00 0.00 C ATOM 0 H ALA A 112 0.085 3.445 14.362 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.517 3.367 11.995 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.248 2.548 13.548 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.703 1.694 13.771 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.198 2.954 14.925 1.00 0.00 H new ATOM 1817 N ASP A 113 -1.658 6.001 13.824 1.00 0.00 N ATOM 1818 CA ASP A 113 -2.261 7.320 13.985 1.00 0.00 C ATOM 1819 C ASP A 113 -2.046 8.191 12.744 1.00 0.00 C ATOM 1820 O ASP A 113 -2.987 8.798 12.232 1.00 0.00 O ATOM 1821 CB ASP A 113 -1.681 8.017 15.219 1.00 0.00 C ATOM 1822 CG ASP A 113 -2.701 8.166 16.332 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -3.177 7.130 16.843 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -3.023 9.318 16.692 1.00 0.00 O ATOM 0 H ASP A 113 -0.760 5.888 14.295 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.334 7.182 14.117 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.827 7.448 15.586 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.310 9.002 14.936 1.00 0.00 H new ATOM 1829 N ASP A 114 -0.801 8.257 12.273 1.00 0.00 N ATOM 1830 CA ASP A 114 -0.465 9.068 11.099 1.00 0.00 C ATOM 1831 C ASP A 114 -1.107 8.505 9.836 1.00 0.00 C ATOM 1832 O ASP A 114 -1.480 9.253 8.935 1.00 0.00 O ATOM 1833 CB ASP A 114 1.057 9.175 10.898 1.00 0.00 C ATOM 1834 CG ASP A 114 1.865 8.321 11.858 1.00 0.00 C ATOM 1835 OD1 ASP A 114 1.959 8.691 13.047 1.00 0.00 O ATOM 1836 OD2 ASP A 114 2.405 7.284 11.418 1.00 0.00 O ATOM 0 H ASP A 114 -0.010 7.761 12.683 1.00 0.00 H new ATOM 0 HA ASP A 114 -0.861 10.066 11.284 1.00 0.00 H new ATOM 0 HB2 ASP A 114 1.300 8.885 9.876 1.00 0.00 H new ATOM 0 HB3 ASP A 114 1.357 10.217 11.013 1.00 0.00 H new ATOM 1841 N PHE A 115 -1.226 7.187 9.774 1.00 0.00 N ATOM 1842 CA PHE A 115 -1.821 6.526 8.619 1.00 0.00 C ATOM 1843 C PHE A 115 -3.348 6.485 8.757 1.00 0.00 C ATOM 1844 O PHE A 115 -3.888 6.862 9.797 1.00 0.00 O ATOM 1845 CB PHE A 115 -1.235 5.108 8.480 1.00 0.00 C ATOM 1846 CG PHE A 115 -2.151 4.016 8.944 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -2.790 4.121 10.159 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -2.372 2.895 8.167 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -3.639 3.132 10.602 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.220 1.898 8.602 1.00 0.00 C ATOM 1851 CZ PHE A 115 -3.854 2.018 9.822 1.00 0.00 C ATOM 0 H PHE A 115 -0.918 6.552 10.511 1.00 0.00 H new ATOM 0 HA PHE A 115 -1.585 7.089 7.716 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.980 4.933 7.435 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.306 5.054 9.048 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.623 4.993 10.774 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -1.877 2.799 7.212 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.134 3.230 11.557 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.388 1.025 7.989 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.518 1.239 10.165 1.00 0.00 H new ATOM 1861 N PRO A 116 -4.067 6.017 7.719 1.00 0.00 N ATOM 1862 CA PRO A 116 -5.530 5.928 7.763 1.00 0.00 C ATOM 1863 C PRO A 116 -6.003 4.820 8.707 1.00 0.00 C ATOM 1864 O PRO A 116 -5.558 3.679 8.599 1.00 0.00 O ATOM 1865 CB PRO A 116 -5.909 5.601 6.317 1.00 0.00 C ATOM 1866 CG PRO A 116 -4.711 4.918 5.756 1.00 0.00 C ATOM 1867 CD PRO A 116 -3.519 5.533 6.438 1.00 0.00 C ATOM 0 HA PRO A 116 -5.990 6.843 8.137 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.788 4.958 6.274 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.148 6.505 5.756 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.753 3.844 5.940 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.655 5.055 4.676 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.724 4.803 6.592 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.096 6.347 5.849 1.00 0.00 H new ATOM 1875 N PRO A 117 -6.907 5.140 9.652 1.00 0.00 N ATOM 1876 CA PRO A 117 -7.423 4.160 10.619 1.00 0.00 C ATOM 1877 C PRO A 117 -8.215 3.029 9.966 1.00 0.00 C ATOM 1878 O PRO A 117 -8.479 2.004 10.593 1.00 0.00 O ATOM 1879 CB PRO A 117 -8.336 4.992 11.527 1.00 0.00 C ATOM 1880 CG PRO A 117 -8.688 6.194 10.720 1.00 0.00 C ATOM 1881 CD PRO A 117 -7.491 6.477 9.860 1.00 0.00 C ATOM 0 HA PRO A 117 -6.609 3.660 11.145 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -9.227 4.432 11.811 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.827 5.271 12.450 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -9.572 6.010 10.110 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -8.916 7.044 11.364 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -7.773 6.945 8.917 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -6.790 7.151 10.353 1.00 0.00 H new ATOM 1889 N ALA A 118 -8.599 3.221 8.709 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.366 2.215 7.982 1.00 0.00 C ATOM 1891 C ALA A 118 -8.517 1.000 7.619 1.00 0.00 C ATOM 1892 O ALA A 118 -9.038 -0.010 7.145 1.00 0.00 O ATOM 1893 CB ALA A 118 -9.979 2.824 6.730 1.00 0.00 C ATOM 0 H ALA A 118 -8.392 4.063 8.172 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.162 1.871 8.642 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -10.549 2.063 6.197 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -10.641 3.643 7.011 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.187 3.203 6.084 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.210 1.106 7.822 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.296 0.020 7.495 1.00 0.00 C ATOM 1901 C ASN A 119 -5.500 -0.426 8.724 1.00 0.00 C ATOM 1902 O ASN A 119 -4.342 -0.827 8.611 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.347 0.489 6.391 1.00 0.00 C ATOM 1904 CG ASN A 119 -5.743 -0.022 5.019 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -4.892 -0.385 4.208 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.043 -0.043 4.746 1.00 0.00 N ATOM 0 H ASN A 119 -6.759 1.934 8.212 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.874 -0.837 7.151 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.325 1.579 6.375 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.336 0.153 6.621 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -7.368 -0.369 3.836 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.716 0.267 5.447 1.00 0.00 H new ATOM 1913 N GLU A 120 -6.124 -0.339 9.897 1.00 0.00 N ATOM 1914 CA GLU A 120 -5.464 -0.715 11.147 1.00 0.00 C ATOM 1915 C GLU A 120 -5.371 -2.233 11.337 1.00 0.00 C ATOM 1916 O GLU A 120 -4.364 -2.725 11.827 1.00 0.00 O ATOM 1917 CB GLU A 120 -6.180 -0.077 12.340 1.00 0.00 C ATOM 1918 CG GLU A 120 -5.311 0.900 13.115 1.00 0.00 C ATOM 1919 CD GLU A 120 -5.406 0.704 14.615 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -6.452 1.062 15.197 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -4.435 0.190 15.209 1.00 0.00 O ATOM 0 H GLU A 120 -7.084 -0.012 10.009 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.443 -0.338 11.089 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.070 0.443 11.984 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.519 -0.864 13.014 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.273 0.784 12.802 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.607 1.919 12.866 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.411 -3.001 10.968 1.00 0.00 N ATOM 1929 CA PRO A 121 -6.395 -4.461 11.131 1.00 0.00 C ATOM 1930 C PRO A 121 -5.081 -5.098 10.682 1.00 0.00 C ATOM 1931 O PRO A 121 -4.577 -6.019 11.325 1.00 0.00 O ATOM 1932 CB PRO A 121 -7.547 -4.915 10.240 1.00 0.00 C ATOM 1933 CG PRO A 121 -8.510 -3.779 10.272 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.679 -2.526 10.381 1.00 0.00 C ATOM 0 HA PRO A 121 -6.494 -4.756 12.176 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -7.207 -5.119 9.225 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -8.002 -5.832 10.615 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.123 -3.763 9.371 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.191 -3.869 11.118 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -7.521 -2.063 9.407 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.159 -1.780 11.014 1.00 0.00 H new ATOM 1942 N VAL A 122 -4.532 -4.603 9.580 1.00 0.00 N ATOM 1943 CA VAL A 122 -3.277 -5.121 9.049 1.00 0.00 C ATOM 1944 C VAL A 122 -2.091 -4.595 9.846 1.00 0.00 C ATOM 1945 O VAL A 122 -1.234 -5.360 10.286 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.084 -4.740 7.567 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.096 -5.683 6.898 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.413 -4.741 6.827 1.00 0.00 C ATOM 0 H VAL A 122 -4.937 -3.842 9.035 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.326 -6.207 9.133 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.677 -3.729 7.527 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.972 -5.399 5.853 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.134 -5.623 7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.473 -6.704 6.954 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.249 -4.469 5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.857 -5.735 6.877 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.087 -4.019 7.288 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.050 -3.279 10.021 1.00 0.00 N ATOM 1959 CA ILE A 123 -0.972 -2.637 10.757 1.00 0.00 C ATOM 1960 C ILE A 123 -0.975 -3.052 12.221 1.00 0.00 C ATOM 1961 O ILE A 123 0.073 -3.135 12.848 1.00 0.00 O ATOM 1962 CB ILE A 123 -1.068 -1.102 10.664 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -0.987 -0.660 9.201 1.00 0.00 C ATOM 1964 CG2 ILE A 123 0.029 -0.445 11.492 1.00 0.00 C ATOM 1965 CD1 ILE A 123 0.422 -0.371 8.728 1.00 0.00 C ATOM 0 H ILE A 123 -2.755 -2.635 9.661 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.039 -2.964 10.298 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.029 -0.784 11.069 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.419 -1.438 8.572 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.596 0.234 9.067 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.056 0.639 11.413 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.075 -0.742 12.535 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.004 -0.761 11.120 1.00 0.00 H new ATOM 0 HD11 ILE A 123 0.399 -0.064 7.682 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.852 0.428 9.332 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.031 -1.269 8.829 1.00 0.00 H new ATOM 1977 N ALA A 124 -2.154 -3.314 12.764 1.00 0.00 N ATOM 1978 CA ALA A 124 -2.274 -3.722 14.157 1.00 0.00 C ATOM 1979 C ALA A 124 -1.399 -4.937 14.434 1.00 0.00 C ATOM 1980 O ALA A 124 -0.910 -5.126 15.547 1.00 0.00 O ATOM 1981 CB ALA A 124 -3.725 -4.021 14.500 1.00 0.00 C ATOM 0 H ALA A 124 -3.040 -3.252 12.263 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.933 -2.901 14.788 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.797 -4.324 15.544 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.328 -3.128 14.339 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.091 -4.826 13.862 1.00 0.00 H new ATOM 1987 N LYS A 125 -1.206 -5.757 13.406 1.00 0.00 N ATOM 1988 CA LYS A 125 -0.387 -6.958 13.533 1.00 0.00 C ATOM 1989 C LYS A 125 1.107 -6.621 13.533 1.00 0.00 C ATOM 1990 O LYS A 125 1.855 -7.086 14.394 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.701 -7.935 12.397 1.00 0.00 C ATOM 1992 CG LYS A 125 -1.687 -9.025 12.787 1.00 0.00 C ATOM 1993 CD LYS A 125 -3.124 -8.561 12.623 1.00 0.00 C ATOM 1994 CE LYS A 125 -4.048 -9.250 13.614 1.00 0.00 C ATOM 1995 NZ LYS A 125 -5.448 -8.756 13.504 1.00 0.00 N ATOM 0 H LYS A 125 -1.604 -5.613 12.478 1.00 0.00 H new ATOM 0 HA LYS A 125 -0.628 -7.424 14.488 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.104 -7.378 11.551 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.226 -8.399 12.061 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.516 -9.908 12.172 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.515 -9.319 13.822 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -3.177 -7.481 12.764 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.460 -8.767 11.607 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -4.028 -10.326 13.441 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -3.683 -9.083 14.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -6.046 -9.251 14.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -5.471 -7.734 13.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -5.806 -8.938 12.545 1.00 0.00 H new ATOM 2009 N LEU A 126 1.535 -5.823 12.558 1.00 0.00 N ATOM 2010 CA LEU A 126 2.941 -5.437 12.440 1.00 0.00 C ATOM 2011 C LEU A 126 3.309 -4.338 13.433 1.00 0.00 C ATOM 2012 O LEU A 126 4.446 -4.264 13.898 1.00 0.00 O ATOM 2013 CB LEU A 126 3.239 -4.965 11.016 1.00 0.00 C ATOM 2014 CG LEU A 126 4.725 -4.875 10.657 1.00 0.00 C ATOM 2015 CD1 LEU A 126 5.380 -3.705 11.375 1.00 0.00 C ATOM 2016 CD2 LEU A 126 5.436 -6.177 10.994 1.00 0.00 C ATOM 0 H LEU A 126 0.929 -5.430 11.837 1.00 0.00 H new ATOM 0 HA LEU A 126 3.544 -6.315 12.669 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.753 -5.644 10.316 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.787 -3.983 10.874 1.00 0.00 H new ATOM 0 HG LEU A 126 4.809 -4.707 9.583 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.435 -3.658 11.107 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.889 -2.777 11.081 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.285 -3.840 12.452 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.491 -6.094 10.732 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.342 -6.377 12.061 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.985 -6.994 10.431 1.00 0.00 H new ATOM 2028 N LYS A 127 2.344 -3.483 13.747 1.00 0.00 N ATOM 2029 CA LYS A 127 2.562 -2.381 14.678 1.00 0.00 C ATOM 2030 C LYS A 127 3.119 -2.885 15.997 1.00 0.00 C ATOM 2031 O LYS A 127 4.044 -2.300 16.560 1.00 0.00 O ATOM 2032 CB LYS A 127 1.254 -1.648 14.928 1.00 0.00 C ATOM 2033 CG LYS A 127 1.418 -0.351 15.699 1.00 0.00 C ATOM 2034 CD LYS A 127 0.266 0.605 15.436 1.00 0.00 C ATOM 2035 CE LYS A 127 -0.762 0.562 16.555 1.00 0.00 C ATOM 2036 NZ LYS A 127 -1.897 -0.345 16.230 1.00 0.00 N ATOM 0 H LYS A 127 1.398 -3.531 13.369 1.00 0.00 H new ATOM 0 HA LYS A 127 3.286 -1.699 14.233 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.779 -1.433 13.970 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.580 -2.304 15.478 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.477 -0.566 16.766 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.358 0.124 15.417 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.651 1.620 15.333 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.213 0.348 14.491 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -0.283 0.229 17.476 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.141 1.567 16.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -2.115 -0.938 17.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -2.733 0.221 15.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -1.637 -0.953 15.427 1.00 0.00 H new ATOM 2050 N ARG A 128 2.562 -3.990 16.474 1.00 0.00 N ATOM 2051 CA ARG A 128 3.018 -4.593 17.714 1.00 0.00 C ATOM 2052 C ARG A 128 4.405 -5.199 17.518 1.00 0.00 C ATOM 2053 O ARG A 128 5.046 -5.633 18.475 1.00 0.00 O ATOM 2054 CB ARG A 128 2.029 -5.664 18.179 1.00 0.00 C ATOM 2055 CG ARG A 128 2.495 -6.440 19.401 1.00 0.00 C ATOM 2056 CD ARG A 128 1.404 -7.361 19.925 1.00 0.00 C ATOM 2057 NE ARG A 128 0.131 -6.664 20.091 1.00 0.00 N ATOM 2058 CZ ARG A 128 -1.044 -7.280 20.190 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -1.114 -8.604 20.140 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -2.154 -6.569 20.339 1.00 0.00 N ATOM 0 H ARG A 128 1.794 -4.485 16.020 1.00 0.00 H new ATOM 0 HA ARG A 128 3.076 -3.821 18.482 1.00 0.00 H new ATOM 0 HB2 ARG A 128 1.073 -5.190 18.404 1.00 0.00 H new ATOM 0 HB3 ARG A 128 1.854 -6.363 17.361 1.00 0.00 H new ATOM 0 HG2 ARG A 128 3.377 -7.027 19.146 1.00 0.00 H new ATOM 0 HG3 ARG A 128 2.792 -5.743 20.185 1.00 0.00 H new ATOM 0 HD2 ARG A 128 1.273 -8.196 19.236 1.00 0.00 H new ATOM 0 HD3 ARG A 128 1.714 -7.782 20.881 1.00 0.00 H new ATOM 0 HE ARG A 128 0.144 -5.645 20.134 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -0.264 -9.156 20.025 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -2.018 -9.070 20.217 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -2.106 -5.551 20.378 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -3.055 -7.040 20.415 1.00 0.00 H new ATOM 2074 N LEU A 129 4.862 -5.220 16.264 1.00 0.00 N ATOM 2075 CA LEU A 129 6.173 -5.766 15.932 1.00 0.00 C ATOM 2076 C LEU A 129 6.369 -7.148 16.551 1.00 0.00 C ATOM 2077 O LEU A 129 5.770 -8.128 16.109 1.00 0.00 O ATOM 2078 CB LEU A 129 7.273 -4.818 16.409 1.00 0.00 C ATOM 2079 CG LEU A 129 7.088 -3.352 16.004 1.00 0.00 C ATOM 2080 CD1 LEU A 129 6.696 -2.509 17.208 1.00 0.00 C ATOM 2081 CD2 LEU A 129 8.356 -2.807 15.363 1.00 0.00 C ATOM 0 H LEU A 129 4.340 -4.864 15.463 1.00 0.00 H new ATOM 0 HA LEU A 129 6.231 -5.869 14.848 1.00 0.00 H new ATOM 0 HB2 LEU A 129 7.333 -4.874 17.496 1.00 0.00 H new ATOM 0 HB3 LEU A 129 8.228 -5.169 16.019 1.00 0.00 H new ATOM 0 HG LEU A 129 6.283 -3.301 15.271 1.00 0.00 H new ATOM 0 HD11 LEU A 129 6.569 -1.471 16.900 1.00 0.00 H new ATOM 0 HD12 LEU A 129 5.759 -2.881 17.623 1.00 0.00 H new ATOM 0 HD13 LEU A 129 7.478 -2.570 17.965 1.00 0.00 H new ATOM 0 HD21 LEU A 129 8.203 -1.765 15.083 1.00 0.00 H new ATOM 0 HD22 LEU A 129 9.181 -2.875 16.073 1.00 0.00 H new ATOM 0 HD23 LEU A 129 8.594 -3.391 14.474 1.00 0.00 H new