USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1029 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 45 LYS NZ :NH3+ -144:sc= -2.47! (180deg=-2.76!) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0.598! USER MOD Set 2.1: A 64 ASN :FLIP amide:sc= -0.387 F(o=-6.3,f=-4.3) USER MOD Set 2.2: A 96 GLN :FLIP amide:sc= -3.91! C(o=-9.5!,f=-4.3!) USER MOD Set 3.1: A 60 TYR OH : rot -15:sc= -3.1! USER MOD Set 3.2: A 71 SER OG : rot 180:sc= -0.872 USER MOD Set 4.1: A 59 HIS : no HD1:sc= -9.42! C(o=-18!,f=-26!) USER MOD Set 4.2: A 92 HIS : no HD1:sc= -8.68! C(o=-18!,f=-22!) USER MOD Set 5.1: A 48 GLN : amide:sc= -13.5! C(o=-14!,f=-18!) USER MOD Set 5.2: A 51 ASN : amide:sc= -0.733 K(o=-14,f=-23!) USER MOD Single : A 1 GLU N :NH3+ -174:sc=-0.00494 (180deg=-0.166) USER MOD Single : A 2 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-2.6!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -146:sc= -0.43 (180deg=-1.75!) USER MOD Single : A 15 GLN : amide:sc= -0.203 K(o=-0.2,f=-1.8) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : A 30 ASN : amide:sc=-0.00788 X(o=-0.0079,f=0.2) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 159:sc= -0.812! USER MOD Single : A 41 TYR OH : rot 165:sc= -0.824 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.673 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 55 GLN : amide:sc= -0.0658 X(o=-0.066,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.154 USER MOD Single : A 66 CYS SG : rot 180:sc= -3.39 USER MOD Single : A 67 SER OG : rot 180:sc= 0.09 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0241 F(o=-1.2!,f=-0.024) USER MOD Single : A 78 THR OG1 : rot 66:sc= -1.37! USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 91 GLN : amide:sc= -1.26! C(o=-1.3!,f=-7.8!) USER MOD Single : A 100 SER OG : rot -52:sc= -0.556 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 161:sc= -2.14! (180deg=-2.69!) USER MOD Single : A 115 LYS NZ :NH3+ 150:sc= -0.292 (180deg=-1.36!) USER MOD Single : A 120 SER OG : rot 180:sc= 0.267 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 HIS : no HD1:sc= -0.0516 X(o=-0.052,f=-0.023) USER MOD Single : A 128 ASN : amide:sc= -0.23! C(o=-0.23!,f=-9!) USER MOD Single : A 133 GLN :FLIP amide:sc= -0.0176 F(o=-0.68,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 99.062 -2.982 14.248 1.00 0.00 N ATOM 2 CA GLU A 1 100.043 -2.909 15.369 1.00 0.00 C ATOM 3 C GLU A 1 101.397 -3.444 14.899 1.00 0.00 C ATOM 4 O GLU A 1 102.434 -3.079 15.417 1.00 0.00 O ATOM 5 CB GLU A 1 99.540 -3.754 16.541 1.00 0.00 C ATOM 6 CG GLU A 1 100.146 -3.233 17.845 1.00 0.00 C ATOM 7 CD GLU A 1 99.541 -3.990 19.028 1.00 0.00 C ATOM 8 OE1 GLU A 1 100.122 -4.986 19.426 1.00 0.00 O ATOM 9 OE2 GLU A 1 98.508 -3.562 19.516 1.00 0.00 O ATOM 0 H1 GLU A 1 98.172 -2.526 14.535 1.00 0.00 H new ATOM 0 H2 GLU A 1 99.449 -2.493 13.416 1.00 0.00 H new ATOM 0 H3 GLU A 1 98.880 -3.978 14.011 1.00 0.00 H new ATOM 0 HA GLU A 1 100.154 -1.873 15.688 1.00 0.00 H new ATOM 0 HB2 GLU A 1 98.452 -3.713 16.592 1.00 0.00 H new ATOM 0 HB3 GLU A 1 99.813 -4.799 16.393 1.00 0.00 H new ATOM 0 HG2 GLU A 1 101.228 -3.362 17.832 1.00 0.00 H new ATOM 0 HG3 GLU A 1 99.954 -2.165 17.946 1.00 0.00 H new ATOM 18 N HIS A 2 101.397 -4.305 13.919 1.00 0.00 N ATOM 19 CA HIS A 2 102.684 -4.863 13.415 1.00 0.00 C ATOM 20 C HIS A 2 102.404 -5.774 12.214 1.00 0.00 C ATOM 21 O HIS A 2 101.394 -6.446 12.164 1.00 0.00 O ATOM 22 CB HIS A 2 103.356 -5.671 14.533 1.00 0.00 C ATOM 23 CG HIS A 2 104.817 -5.319 14.609 1.00 0.00 C ATOM 24 ND1 HIS A 2 105.810 -6.182 14.169 1.00 0.00 N ATOM 25 CD2 HIS A 2 105.469 -4.201 15.072 1.00 0.00 C ATOM 26 CE1 HIS A 2 106.995 -5.577 14.375 1.00 0.00 C ATOM 27 NE2 HIS A 2 106.840 -4.370 14.922 1.00 0.00 N ATOM 0 H HIS A 2 100.561 -4.647 13.445 1.00 0.00 H new ATOM 0 HA HIS A 2 103.344 -4.052 13.107 1.00 0.00 H new ATOM 0 HB2 HIS A 2 102.872 -5.461 15.487 1.00 0.00 H new ATOM 0 HB3 HIS A 2 103.239 -6.738 14.344 1.00 0.00 H new ATOM 0 HD2 HIS A 2 104.990 -3.327 15.488 1.00 0.00 H new ATOM 0 HE1 HIS A 2 107.951 -6.014 14.128 1.00 0.00 H new ATOM 0 HE2 HIS A 2 107.574 -3.709 15.177 1.00 0.00 H new ATOM 35 N PRO A 3 103.293 -5.800 11.253 1.00 0.00 N ATOM 36 CA PRO A 3 103.137 -6.644 10.038 1.00 0.00 C ATOM 37 C PRO A 3 102.547 -8.020 10.360 1.00 0.00 C ATOM 38 O PRO A 3 103.259 -8.995 10.492 1.00 0.00 O ATOM 39 CB PRO A 3 104.565 -6.778 9.518 1.00 0.00 C ATOM 40 CG PRO A 3 105.272 -5.538 9.967 1.00 0.00 C ATOM 41 CD PRO A 3 104.547 -5.030 11.219 1.00 0.00 C ATOM 0 HA PRO A 3 102.448 -6.204 9.317 1.00 0.00 H new ATOM 0 HB2 PRO A 3 105.046 -7.671 9.918 1.00 0.00 H new ATOM 0 HB3 PRO A 3 104.580 -6.867 8.432 1.00 0.00 H new ATOM 0 HG2 PRO A 3 106.318 -5.750 10.188 1.00 0.00 H new ATOM 0 HG3 PRO A 3 105.259 -4.782 9.182 1.00 0.00 H new ATOM 0 HD2 PRO A 3 105.141 -5.198 12.118 1.00 0.00 H new ATOM 0 HD3 PRO A 3 104.354 -3.959 11.160 1.00 0.00 H new ATOM 49 N GLU A 4 101.252 -8.105 10.490 1.00 0.00 N ATOM 50 CA GLU A 4 100.620 -9.415 10.806 1.00 0.00 C ATOM 51 C GLU A 4 100.437 -10.220 9.517 1.00 0.00 C ATOM 52 O GLU A 4 100.454 -11.435 9.528 1.00 0.00 O ATOM 53 CB GLU A 4 99.257 -9.178 11.468 1.00 0.00 C ATOM 54 CG GLU A 4 99.167 -9.980 12.769 1.00 0.00 C ATOM 55 CD GLU A 4 100.134 -9.394 13.799 1.00 0.00 C ATOM 56 OE1 GLU A 4 99.878 -8.296 14.264 1.00 0.00 O ATOM 57 OE2 GLU A 4 101.114 -10.053 14.104 1.00 0.00 O ATOM 0 H GLU A 4 100.604 -7.323 10.391 1.00 0.00 H new ATOM 0 HA GLU A 4 101.260 -9.973 11.489 1.00 0.00 H new ATOM 0 HB2 GLU A 4 99.122 -8.116 11.674 1.00 0.00 H new ATOM 0 HB3 GLU A 4 98.457 -9.475 10.790 1.00 0.00 H new ATOM 0 HG2 GLU A 4 98.148 -9.953 13.155 1.00 0.00 H new ATOM 0 HG3 GLU A 4 99.409 -11.026 12.581 1.00 0.00 H new ATOM 64 N PHE A 5 100.263 -9.557 8.407 1.00 0.00 N ATOM 65 CA PHE A 5 100.079 -10.299 7.126 1.00 0.00 C ATOM 66 C PHE A 5 101.274 -11.231 6.910 1.00 0.00 C ATOM 67 O PHE A 5 101.309 -12.004 5.974 1.00 0.00 O ATOM 68 CB PHE A 5 99.977 -9.306 5.958 1.00 0.00 C ATOM 69 CG PHE A 5 98.523 -9.012 5.658 1.00 0.00 C ATOM 70 CD1 PHE A 5 97.631 -10.060 5.392 1.00 0.00 C ATOM 71 CD2 PHE A 5 98.063 -7.687 5.652 1.00 0.00 C ATOM 72 CE1 PHE A 5 96.287 -9.784 5.126 1.00 0.00 C ATOM 73 CE2 PHE A 5 96.718 -7.416 5.381 1.00 0.00 C ATOM 74 CZ PHE A 5 95.832 -8.463 5.118 1.00 0.00 C ATOM 0 H PHE A 5 100.240 -8.540 8.330 1.00 0.00 H new ATOM 0 HA PHE A 5 99.161 -10.885 7.173 1.00 0.00 H new ATOM 0 HB2 PHE A 5 100.500 -8.383 6.207 1.00 0.00 H new ATOM 0 HB3 PHE A 5 100.463 -9.719 5.074 1.00 0.00 H new ATOM 0 HD1 PHE A 5 97.982 -11.081 5.393 1.00 0.00 H new ATOM 0 HD2 PHE A 5 98.747 -6.877 5.857 1.00 0.00 H new ATOM 0 HE1 PHE A 5 95.599 -10.593 4.926 1.00 0.00 H new ATOM 0 HE2 PHE A 5 96.364 -6.396 5.375 1.00 0.00 H new ATOM 0 HZ PHE A 5 94.794 -8.251 4.908 1.00 0.00 H new ATOM 84 N LEU A 6 102.251 -11.166 7.772 1.00 0.00 N ATOM 85 CA LEU A 6 103.440 -12.051 7.622 1.00 0.00 C ATOM 86 C LEU A 6 103.144 -13.407 8.263 1.00 0.00 C ATOM 87 O LEU A 6 103.535 -14.443 7.760 1.00 0.00 O ATOM 88 CB LEU A 6 104.647 -11.412 8.312 1.00 0.00 C ATOM 89 CG LEU A 6 104.780 -9.955 7.867 1.00 0.00 C ATOM 90 CD1 LEU A 6 106.141 -9.410 8.305 1.00 0.00 C ATOM 91 CD2 LEU A 6 104.667 -9.874 6.343 1.00 0.00 C ATOM 0 H LEU A 6 102.277 -10.537 8.575 1.00 0.00 H new ATOM 0 HA LEU A 6 103.661 -12.187 6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 6 104.529 -11.463 9.394 1.00 0.00 H new ATOM 0 HB3 LEU A 6 105.554 -11.963 8.064 1.00 0.00 H new ATOM 0 HG LEU A 6 103.986 -9.363 8.323 1.00 0.00 H new ATOM 0 HD11 LEU A 6 106.236 -8.371 7.988 1.00 0.00 H new ATOM 0 HD12 LEU A 6 106.224 -9.467 9.390 1.00 0.00 H new ATOM 0 HD13 LEU A 6 106.934 -10.003 7.849 1.00 0.00 H new ATOM 0 HD21 LEU A 6 104.762 -8.835 6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 6 105.460 -10.466 5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 6 103.698 -10.262 6.029 1.00 0.00 H new ATOM 103 N LYS A 7 102.457 -13.407 9.371 1.00 0.00 N ATOM 104 CA LYS A 7 102.133 -14.689 10.051 1.00 0.00 C ATOM 105 C LYS A 7 100.684 -15.074 9.744 1.00 0.00 C ATOM 106 O LYS A 7 100.211 -16.118 10.145 1.00 0.00 O ATOM 107 CB LYS A 7 102.308 -14.524 11.564 1.00 0.00 C ATOM 108 CG LYS A 7 103.464 -13.559 11.843 1.00 0.00 C ATOM 109 CD LYS A 7 103.661 -13.424 13.355 1.00 0.00 C ATOM 110 CE LYS A 7 104.963 -12.669 13.633 1.00 0.00 C ATOM 111 NZ LYS A 7 104.879 -12.013 14.969 1.00 0.00 N ATOM 0 H LYS A 7 102.105 -12.570 9.836 1.00 0.00 H new ATOM 0 HA LYS A 7 102.802 -15.471 9.692 1.00 0.00 H new ATOM 0 HB2 LYS A 7 101.388 -14.144 12.008 1.00 0.00 H new ATOM 0 HB3 LYS A 7 102.508 -15.491 12.025 1.00 0.00 H new ATOM 0 HG2 LYS A 7 104.379 -13.926 11.377 1.00 0.00 H new ATOM 0 HG3 LYS A 7 103.252 -12.584 11.404 1.00 0.00 H new ATOM 0 HD2 LYS A 7 102.818 -12.892 13.797 1.00 0.00 H new ATOM 0 HD3 LYS A 7 103.694 -14.410 13.818 1.00 0.00 H new ATOM 0 HE2 LYS A 7 105.808 -13.357 13.606 1.00 0.00 H new ATOM 0 HE3 LYS A 7 105.135 -11.921 12.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 105.763 -11.499 15.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 104.082 -11.345 14.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 104.734 -12.736 15.702 1.00 0.00 H new ATOM 125 N ALA A 8 99.976 -14.236 9.036 1.00 0.00 N ATOM 126 CA ALA A 8 98.558 -14.549 8.703 1.00 0.00 C ATOM 127 C ALA A 8 98.435 -16.023 8.312 1.00 0.00 C ATOM 128 O ALA A 8 99.255 -16.553 7.589 1.00 0.00 O ATOM 129 CB ALA A 8 98.105 -13.673 7.534 1.00 0.00 C ATOM 0 H ALA A 8 100.320 -13.347 8.674 1.00 0.00 H new ATOM 0 HA ALA A 8 97.930 -14.352 9.572 1.00 0.00 H new ATOM 0 HB1 ALA A 8 97.068 -13.901 7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 8 98.190 -12.623 7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 8 98.734 -13.870 6.666 1.00 0.00 H new ATOM 135 N GLY A 9 97.415 -16.687 8.780 1.00 0.00 N ATOM 136 CA GLY A 9 97.239 -18.126 8.431 1.00 0.00 C ATOM 137 C GLY A 9 96.418 -18.821 9.519 1.00 0.00 C ATOM 138 O GLY A 9 95.601 -19.676 9.242 1.00 0.00 O ATOM 0 H GLY A 9 96.696 -16.297 9.389 1.00 0.00 H new ATOM 0 HA2 GLY A 9 96.737 -18.218 7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 9 98.211 -18.608 8.331 1.00 0.00 H new ATOM 142 N LYS A 10 96.626 -18.459 10.755 1.00 0.00 N ATOM 143 CA LYS A 10 95.853 -19.099 11.857 1.00 0.00 C ATOM 144 C LYS A 10 94.400 -18.628 11.795 1.00 0.00 C ATOM 145 O LYS A 10 93.666 -18.711 12.759 1.00 0.00 O ATOM 146 CB LYS A 10 96.463 -18.705 13.205 1.00 0.00 C ATOM 147 CG LYS A 10 97.076 -17.305 13.101 1.00 0.00 C ATOM 148 CD LYS A 10 98.533 -17.417 12.645 1.00 0.00 C ATOM 149 CE LYS A 10 99.434 -17.636 13.861 1.00 0.00 C ATOM 150 NZ LYS A 10 99.238 -16.521 14.833 1.00 0.00 N ATOM 0 H LYS A 10 97.297 -17.749 11.049 1.00 0.00 H new ATOM 0 HA LYS A 10 95.889 -20.183 11.748 1.00 0.00 H new ATOM 0 HB2 LYS A 10 95.698 -18.721 13.981 1.00 0.00 H new ATOM 0 HB3 LYS A 10 97.226 -19.427 13.495 1.00 0.00 H new ATOM 0 HG2 LYS A 10 96.508 -16.700 12.394 1.00 0.00 H new ATOM 0 HG3 LYS A 10 97.024 -16.801 14.066 1.00 0.00 H new ATOM 0 HD2 LYS A 10 98.643 -18.245 11.944 1.00 0.00 H new ATOM 0 HD3 LYS A 10 98.831 -16.511 12.117 1.00 0.00 H new ATOM 0 HE2 LYS A 10 99.200 -18.590 14.333 1.00 0.00 H new ATOM 0 HE3 LYS A 10 100.478 -17.682 13.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 100.138 -16.316 15.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 98.914 -15.672 14.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 98.525 -16.797 15.538 1.00 0.00 H new ATOM 164 N GLU A 11 93.981 -18.131 10.662 1.00 0.00 N ATOM 165 CA GLU A 11 92.579 -17.652 10.528 1.00 0.00 C ATOM 166 C GLU A 11 92.028 -18.074 9.161 1.00 0.00 C ATOM 167 O GLU A 11 92.349 -17.478 8.152 1.00 0.00 O ATOM 168 CB GLU A 11 92.552 -16.126 10.638 1.00 0.00 C ATOM 169 CG GLU A 11 92.792 -15.712 12.090 1.00 0.00 C ATOM 170 CD GLU A 11 93.242 -14.250 12.137 1.00 0.00 C ATOM 171 OE1 GLU A 11 93.388 -13.731 13.231 1.00 0.00 O ATOM 172 OE2 GLU A 11 93.433 -13.675 11.078 1.00 0.00 O ATOM 0 H GLU A 11 94.553 -18.037 9.822 1.00 0.00 H new ATOM 0 HA GLU A 11 91.966 -18.085 11.319 1.00 0.00 H new ATOM 0 HB2 GLU A 11 93.317 -15.691 9.994 1.00 0.00 H new ATOM 0 HB3 GLU A 11 91.591 -15.744 10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 11 91.879 -15.841 12.672 1.00 0.00 H new ATOM 0 HG3 GLU A 11 93.551 -16.352 12.541 1.00 0.00 H new ATOM 179 N PRO A 12 91.208 -19.094 9.123 1.00 0.00 N ATOM 180 CA PRO A 12 90.615 -19.595 7.852 1.00 0.00 C ATOM 181 C PRO A 12 89.447 -18.725 7.377 1.00 0.00 C ATOM 182 O PRO A 12 88.296 -19.019 7.635 1.00 0.00 O ATOM 183 CB PRO A 12 90.133 -21.001 8.207 1.00 0.00 C ATOM 184 CG PRO A 12 89.863 -20.972 9.677 1.00 0.00 C ATOM 185 CD PRO A 12 90.755 -19.882 10.281 1.00 0.00 C ATOM 0 HA PRO A 12 91.333 -19.578 7.032 1.00 0.00 H new ATOM 0 HB2 PRO A 12 89.234 -21.260 7.648 1.00 0.00 H new ATOM 0 HB3 PRO A 12 90.888 -21.748 7.961 1.00 0.00 H new ATOM 0 HG2 PRO A 12 88.812 -20.760 9.871 1.00 0.00 H new ATOM 0 HG3 PRO A 12 90.081 -21.940 10.127 1.00 0.00 H new ATOM 0 HD2 PRO A 12 90.203 -19.265 10.990 1.00 0.00 H new ATOM 0 HD3 PRO A 12 91.597 -20.313 10.822 1.00 0.00 H new ATOM 193 N GLY A 13 89.736 -17.657 6.688 1.00 0.00 N ATOM 194 CA GLY A 13 88.645 -16.768 6.196 1.00 0.00 C ATOM 195 C GLY A 13 89.239 -15.677 5.302 1.00 0.00 C ATOM 196 O GLY A 13 89.558 -15.910 4.153 1.00 0.00 O ATOM 0 H GLY A 13 90.681 -17.360 6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 13 87.911 -17.350 5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 13 88.121 -16.317 7.039 1.00 0.00 H new ATOM 200 N LEU A 14 89.389 -14.488 5.819 1.00 0.00 N ATOM 201 CA LEU A 14 89.961 -13.386 4.996 1.00 0.00 C ATOM 202 C LEU A 14 90.491 -12.284 5.918 1.00 0.00 C ATOM 203 O LEU A 14 89.824 -11.860 6.840 1.00 0.00 O ATOM 204 CB LEU A 14 88.868 -12.816 4.082 1.00 0.00 C ATOM 205 CG LEU A 14 89.383 -12.739 2.643 1.00 0.00 C ATOM 206 CD1 LEU A 14 88.228 -12.383 1.705 1.00 0.00 C ATOM 207 CD2 LEU A 14 90.466 -11.662 2.548 1.00 0.00 C ATOM 0 H LEU A 14 89.140 -14.233 6.775 1.00 0.00 H new ATOM 0 HA LEU A 14 90.779 -13.769 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 14 87.979 -13.445 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 14 88.574 -11.824 4.426 1.00 0.00 H new ATOM 0 HG LEU A 14 89.801 -13.704 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 14 88.595 -12.328 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 14 87.455 -13.148 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 14 87.810 -11.418 1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 14 90.834 -11.606 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 14 90.047 -10.698 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 14 91.289 -11.914 3.216 1.00 0.00 H new ATOM 219 N GLN A 15 91.688 -11.817 5.675 1.00 0.00 N ATOM 220 CA GLN A 15 92.263 -10.743 6.536 1.00 0.00 C ATOM 221 C GLN A 15 92.460 -9.472 5.704 1.00 0.00 C ATOM 222 O GLN A 15 92.934 -9.520 4.584 1.00 0.00 O ATOM 223 CB GLN A 15 93.611 -11.209 7.093 1.00 0.00 C ATOM 224 CG GLN A 15 93.382 -12.240 8.207 1.00 0.00 C ATOM 225 CD GLN A 15 94.262 -13.469 7.961 1.00 0.00 C ATOM 226 OE1 GLN A 15 94.441 -13.885 6.833 1.00 0.00 O ATOM 227 NE2 GLN A 15 94.819 -14.070 8.975 1.00 0.00 N ATOM 0 H GLN A 15 92.292 -12.134 4.917 1.00 0.00 H new ATOM 0 HA GLN A 15 91.583 -10.531 7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 15 94.212 -11.647 6.297 1.00 0.00 H new ATOM 0 HB3 GLN A 15 94.169 -10.357 7.482 1.00 0.00 H new ATOM 0 HG2 GLN A 15 93.617 -11.801 9.176 1.00 0.00 H new ATOM 0 HG3 GLN A 15 92.332 -12.532 8.235 1.00 0.00 H new ATOM 0 HE21 GLN A 15 94.668 -13.720 9.921 1.00 0.00 H new ATOM 0 HE22 GLN A 15 95.406 -14.890 8.822 1.00 0.00 H new ATOM 236 N ILE A 16 92.095 -8.336 6.243 1.00 0.00 N ATOM 237 CA ILE A 16 92.252 -7.058 5.486 1.00 0.00 C ATOM 238 C ILE A 16 92.942 -6.011 6.367 1.00 0.00 C ATOM 239 O ILE A 16 92.362 -5.506 7.306 1.00 0.00 O ATOM 240 CB ILE A 16 90.871 -6.528 5.088 1.00 0.00 C ATOM 241 CG1 ILE A 16 90.169 -7.530 4.161 1.00 0.00 C ATOM 242 CG2 ILE A 16 91.032 -5.189 4.363 1.00 0.00 C ATOM 243 CD1 ILE A 16 88.697 -7.652 4.561 1.00 0.00 C ATOM 0 H ILE A 16 91.695 -8.239 7.176 1.00 0.00 H new ATOM 0 HA ILE A 16 92.854 -7.246 4.597 1.00 0.00 H new ATOM 0 HB ILE A 16 90.268 -6.392 5.986 1.00 0.00 H new ATOM 0 HG12 ILE A 16 90.249 -7.201 3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 16 90.656 -8.503 4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 16 90.051 -4.809 4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 16 91.520 -4.473 5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 16 91.640 -5.330 3.469 1.00 0.00 H new ATOM 0 HD11 ILE A 16 88.199 -8.364 3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 16 88.628 -8.001 5.591 1.00 0.00 H new ATOM 0 HD13 ILE A 16 88.215 -6.678 4.474 1.00 0.00 H new ATOM 255 N TRP A 17 94.164 -5.663 6.060 1.00 0.00 N ATOM 256 CA TRP A 17 94.868 -4.627 6.876 1.00 0.00 C ATOM 257 C TRP A 17 95.652 -3.709 5.936 1.00 0.00 C ATOM 258 O TRP A 17 96.086 -4.120 4.878 1.00 0.00 O ATOM 259 CB TRP A 17 95.820 -5.294 7.876 1.00 0.00 C ATOM 260 CG TRP A 17 95.076 -6.325 8.668 1.00 0.00 C ATOM 261 CD1 TRP A 17 93.881 -6.128 9.272 1.00 0.00 C ATOM 262 CD2 TRP A 17 95.456 -7.703 8.953 1.00 0.00 C ATOM 263 NE1 TRP A 17 93.502 -7.298 9.905 1.00 0.00 N ATOM 264 CE2 TRP A 17 94.439 -8.297 9.737 1.00 0.00 C ATOM 265 CE3 TRP A 17 96.571 -8.488 8.610 1.00 0.00 C ATOM 266 CZ2 TRP A 17 94.526 -9.622 10.167 1.00 0.00 C ATOM 267 CZ3 TRP A 17 96.663 -9.822 9.040 1.00 0.00 C ATOM 268 CH2 TRP A 17 95.642 -10.388 9.816 1.00 0.00 C ATOM 0 H TRP A 17 94.703 -6.048 5.285 1.00 0.00 H new ATOM 0 HA TRP A 17 94.137 -4.044 7.437 1.00 0.00 H new ATOM 0 HB2 TRP A 17 96.652 -5.758 7.347 1.00 0.00 H new ATOM 0 HB3 TRP A 17 96.245 -4.545 8.544 1.00 0.00 H new ATOM 0 HD1 TRP A 17 93.316 -5.208 9.261 1.00 0.00 H new ATOM 0 HE1 TRP A 17 92.636 -7.409 10.432 1.00 0.00 H new ATOM 0 HE3 TRP A 17 97.363 -8.062 8.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 93.737 -10.052 10.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 97.525 -10.415 8.771 1.00 0.00 H new ATOM 0 HH2 TRP A 17 95.717 -11.415 10.142 1.00 0.00 H new ATOM 279 N ARG A 18 95.825 -2.465 6.300 1.00 0.00 N ATOM 280 CA ARG A 18 96.565 -1.526 5.404 1.00 0.00 C ATOM 281 C ARG A 18 97.866 -1.077 6.071 1.00 0.00 C ATOM 282 O ARG A 18 97.977 -1.040 7.281 1.00 0.00 O ATOM 283 CB ARG A 18 95.689 -0.302 5.114 1.00 0.00 C ATOM 284 CG ARG A 18 95.850 0.734 6.232 1.00 0.00 C ATOM 285 CD ARG A 18 94.755 1.796 6.113 1.00 0.00 C ATOM 286 NE ARG A 18 93.567 1.375 6.908 1.00 0.00 N ATOM 287 CZ ARG A 18 92.653 2.249 7.226 1.00 0.00 C ATOM 288 NH1 ARG A 18 91.612 1.882 7.924 1.00 0.00 N ATOM 289 NH2 ARG A 18 92.776 3.492 6.846 1.00 0.00 N ATOM 0 H ARG A 18 95.488 -2.060 7.174 1.00 0.00 H new ATOM 0 HA ARG A 18 96.803 -2.037 4.471 1.00 0.00 H new ATOM 0 HB2 ARG A 18 95.969 0.137 4.157 1.00 0.00 H new ATOM 0 HB3 ARG A 18 94.644 -0.603 5.033 1.00 0.00 H new ATOM 0 HG2 ARG A 18 95.792 0.245 7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 18 96.832 1.202 6.168 1.00 0.00 H new ATOM 0 HD2 ARG A 18 95.124 2.757 6.472 1.00 0.00 H new ATOM 0 HD3 ARG A 18 94.477 1.932 5.068 1.00 0.00 H new ATOM 0 HE ARG A 18 93.469 0.404 7.203 1.00 0.00 H new ATOM 0 HH11 ARG A 18 91.513 0.911 8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 18 90.897 2.566 8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 18 93.588 3.780 6.300 1.00 0.00 H new ATOM 0 HH22 ARG A 18 92.060 4.175 7.095 1.00 0.00 H new ATOM 303 N VAL A 19 98.848 -0.723 5.288 1.00 0.00 N ATOM 304 CA VAL A 19 100.138 -0.264 5.873 1.00 0.00 C ATOM 305 C VAL A 19 100.079 1.247 6.092 1.00 0.00 C ATOM 306 O VAL A 19 99.801 2.004 5.183 1.00 0.00 O ATOM 307 CB VAL A 19 101.288 -0.589 4.918 1.00 0.00 C ATOM 308 CG1 VAL A 19 101.253 0.376 3.730 1.00 0.00 C ATOM 309 CG2 VAL A 19 102.618 -0.430 5.660 1.00 0.00 C ATOM 0 H VAL A 19 98.812 -0.732 4.269 1.00 0.00 H new ATOM 0 HA VAL A 19 100.305 -0.773 6.823 1.00 0.00 H new ATOM 0 HB VAL A 19 101.186 -1.613 4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 19 102.072 0.145 3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 19 100.304 0.272 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 19 101.358 1.400 4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 19 103.442 -0.660 4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 19 102.716 0.596 6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 19 102.644 -1.112 6.510 1.00 0.00 H new ATOM 319 N GLU A 20 100.340 1.694 7.286 1.00 0.00 N ATOM 320 CA GLU A 20 100.300 3.155 7.555 1.00 0.00 C ATOM 321 C GLU A 20 101.151 3.466 8.786 1.00 0.00 C ATOM 322 O GLU A 20 101.129 2.755 9.770 1.00 0.00 O ATOM 323 CB GLU A 20 98.850 3.595 7.798 1.00 0.00 C ATOM 324 CG GLU A 20 98.319 4.328 6.563 1.00 0.00 C ATOM 325 CD GLU A 20 96.935 4.903 6.868 1.00 0.00 C ATOM 326 OE1 GLU A 20 96.143 5.009 5.946 1.00 0.00 O ATOM 327 OE2 GLU A 20 96.690 5.229 8.018 1.00 0.00 O ATOM 0 H GLU A 20 100.579 1.110 8.088 1.00 0.00 H new ATOM 0 HA GLU A 20 100.696 3.696 6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 20 98.227 2.726 8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 20 98.799 4.247 8.670 1.00 0.00 H new ATOM 0 HG2 GLU A 20 99.003 5.128 6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 20 98.262 3.643 5.717 1.00 0.00 H new ATOM 334 N LYS A 21 101.908 4.525 8.728 1.00 0.00 N ATOM 335 CA LYS A 21 102.777 4.900 9.883 1.00 0.00 C ATOM 336 C LYS A 21 103.958 3.931 9.968 1.00 0.00 C ATOM 337 O LYS A 21 104.271 3.409 11.019 1.00 0.00 O ATOM 338 CB LYS A 21 101.971 4.841 11.184 1.00 0.00 C ATOM 339 CG LYS A 21 100.535 5.311 10.925 1.00 0.00 C ATOM 340 CD LYS A 21 100.018 6.080 12.143 1.00 0.00 C ATOM 341 CE LYS A 21 98.489 6.092 12.129 1.00 0.00 C ATOM 342 NZ LYS A 21 97.985 6.710 13.388 1.00 0.00 N ATOM 0 H LYS A 21 101.964 5.152 7.926 1.00 0.00 H new ATOM 0 HA LYS A 21 103.147 5.915 9.738 1.00 0.00 H new ATOM 0 HB2 LYS A 21 101.966 3.823 11.574 1.00 0.00 H new ATOM 0 HB3 LYS A 21 102.439 5.470 11.941 1.00 0.00 H new ATOM 0 HG2 LYS A 21 100.504 5.947 10.041 1.00 0.00 H new ATOM 0 HG3 LYS A 21 99.892 4.454 10.724 1.00 0.00 H new ATOM 0 HD2 LYS A 21 100.380 5.615 13.060 1.00 0.00 H new ATOM 0 HD3 LYS A 21 100.400 7.101 12.131 1.00 0.00 H new ATOM 0 HE2 LYS A 21 98.127 6.652 11.266 1.00 0.00 H new ATOM 0 HE3 LYS A 21 98.108 5.075 12.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 96.945 6.718 13.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 98.320 6.158 14.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 98.338 7.685 13.462 1.00 0.00 H new ATOM 356 N PHE A 22 104.618 3.689 8.868 1.00 0.00 N ATOM 357 CA PHE A 22 105.779 2.756 8.885 1.00 0.00 C ATOM 358 C PHE A 22 105.429 1.519 9.713 1.00 0.00 C ATOM 359 O PHE A 22 106.257 0.977 10.419 1.00 0.00 O ATOM 360 CB PHE A 22 106.989 3.459 9.502 1.00 0.00 C ATOM 361 CG PHE A 22 107.111 4.849 8.927 1.00 0.00 C ATOM 362 CD1 PHE A 22 107.672 5.034 7.658 1.00 0.00 C ATOM 363 CD2 PHE A 22 106.663 5.953 9.661 1.00 0.00 C ATOM 364 CE1 PHE A 22 107.787 6.324 7.124 1.00 0.00 C ATOM 365 CE2 PHE A 22 106.776 7.242 9.127 1.00 0.00 C ATOM 366 CZ PHE A 22 107.338 7.427 7.858 1.00 0.00 C ATOM 0 H PHE A 22 104.403 4.097 7.958 1.00 0.00 H new ATOM 0 HA PHE A 22 106.016 2.453 7.865 1.00 0.00 H new ATOM 0 HB2 PHE A 22 106.880 3.510 10.585 1.00 0.00 H new ATOM 0 HB3 PHE A 22 107.896 2.889 9.300 1.00 0.00 H new ATOM 0 HD1 PHE A 22 108.016 4.182 7.090 1.00 0.00 H new ATOM 0 HD2 PHE A 22 106.230 5.810 10.640 1.00 0.00 H new ATOM 0 HE1 PHE A 22 108.222 6.467 6.146 1.00 0.00 H new ATOM 0 HE2 PHE A 22 106.430 8.094 9.694 1.00 0.00 H new ATOM 0 HZ PHE A 22 107.425 8.421 7.446 1.00 0.00 H new ATOM 376 N ASP A 23 104.208 1.069 9.634 1.00 0.00 N ATOM 377 CA ASP A 23 103.804 -0.134 10.418 1.00 0.00 C ATOM 378 C ASP A 23 102.430 -0.610 9.946 1.00 0.00 C ATOM 379 O ASP A 23 101.731 0.089 9.240 1.00 0.00 O ATOM 380 CB ASP A 23 103.739 0.224 11.903 1.00 0.00 C ATOM 381 CG ASP A 23 103.549 -1.049 12.727 1.00 0.00 C ATOM 382 OD1 ASP A 23 102.732 -1.030 13.633 1.00 0.00 O ATOM 383 OD2 ASP A 23 104.226 -2.024 12.441 1.00 0.00 O ATOM 0 H ASP A 23 103.472 1.481 9.061 1.00 0.00 H new ATOM 0 HA ASP A 23 104.535 -0.929 10.269 1.00 0.00 H new ATOM 0 HB2 ASP A 23 104.654 0.732 12.206 1.00 0.00 H new ATOM 0 HB3 ASP A 23 102.916 0.914 12.086 1.00 0.00 H new ATOM 388 N LEU A 24 102.036 -1.793 10.329 1.00 0.00 N ATOM 389 CA LEU A 24 100.705 -2.307 9.899 1.00 0.00 C ATOM 390 C LEU A 24 99.602 -1.488 10.571 1.00 0.00 C ATOM 391 O LEU A 24 99.743 -1.039 11.691 1.00 0.00 O ATOM 392 CB LEU A 24 100.564 -3.775 10.304 1.00 0.00 C ATOM 393 CG LEU A 24 99.429 -4.418 9.500 1.00 0.00 C ATOM 394 CD1 LEU A 24 99.989 -5.006 8.203 1.00 0.00 C ATOM 395 CD2 LEU A 24 98.784 -5.532 10.326 1.00 0.00 C ATOM 0 H LEU A 24 102.577 -2.425 10.920 1.00 0.00 H new ATOM 0 HA LEU A 24 100.618 -2.220 8.816 1.00 0.00 H new ATOM 0 HB2 LEU A 24 101.499 -4.305 10.122 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.357 -3.851 11.371 1.00 0.00 H new ATOM 0 HG LEU A 24 98.681 -3.661 9.263 1.00 0.00 H new ATOM 0 HD11 LEU A 24 99.181 -5.463 7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 24 100.447 -4.213 7.612 1.00 0.00 H new ATOM 0 HD13 LEU A 24 100.738 -5.761 8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 24 97.977 -5.989 9.753 1.00 0.00 H new ATOM 0 HD22 LEU A 24 99.532 -6.288 10.565 1.00 0.00 H new ATOM 0 HD23 LEU A 24 98.383 -5.114 11.249 1.00 0.00 H new ATOM 407 N VAL A 25 98.505 -1.290 9.893 1.00 0.00 N ATOM 408 CA VAL A 25 97.393 -0.500 10.489 1.00 0.00 C ATOM 409 C VAL A 25 96.060 -1.181 10.156 1.00 0.00 C ATOM 410 O VAL A 25 95.521 -1.012 9.080 1.00 0.00 O ATOM 411 CB VAL A 25 97.416 0.915 9.907 1.00 0.00 C ATOM 412 CG1 VAL A 25 96.341 1.770 10.580 1.00 0.00 C ATOM 413 CG2 VAL A 25 98.791 1.538 10.158 1.00 0.00 C ATOM 0 H VAL A 25 98.331 -1.642 8.951 1.00 0.00 H new ATOM 0 HA VAL A 25 97.509 -0.446 11.571 1.00 0.00 H new ATOM 0 HB VAL A 25 97.219 0.870 8.836 1.00 0.00 H new ATOM 0 HG11 VAL A 25 96.362 2.776 10.162 1.00 0.00 H new ATOM 0 HG12 VAL A 25 95.361 1.325 10.407 1.00 0.00 H new ATOM 0 HG13 VAL A 25 96.533 1.818 11.652 1.00 0.00 H new ATOM 0 HG21 VAL A 25 98.814 2.547 9.746 1.00 0.00 H new ATOM 0 HG22 VAL A 25 98.981 1.580 11.230 1.00 0.00 H new ATOM 0 HG23 VAL A 25 99.558 0.932 9.677 1.00 0.00 H new ATOM 423 N PRO A 26 95.541 -1.958 11.072 1.00 0.00 N ATOM 424 CA PRO A 26 94.256 -2.691 10.876 1.00 0.00 C ATOM 425 C PRO A 26 93.128 -1.781 10.380 1.00 0.00 C ATOM 426 O PRO A 26 93.250 -0.572 10.368 1.00 0.00 O ATOM 427 CB PRO A 26 93.926 -3.237 12.267 1.00 0.00 C ATOM 428 CG PRO A 26 95.235 -3.327 12.978 1.00 0.00 C ATOM 429 CD PRO A 26 96.123 -2.225 12.399 1.00 0.00 C ATOM 0 HA PRO A 26 94.353 -3.465 10.115 1.00 0.00 H new ATOM 0 HB2 PRO A 26 93.237 -2.578 12.795 1.00 0.00 H new ATOM 0 HB3 PRO A 26 93.446 -4.214 12.202 1.00 0.00 H new ATOM 0 HG2 PRO A 26 95.103 -3.194 14.052 1.00 0.00 H new ATOM 0 HG3 PRO A 26 95.689 -4.307 12.832 1.00 0.00 H new ATOM 0 HD2 PRO A 26 96.113 -1.333 13.026 1.00 0.00 H new ATOM 0 HD3 PRO A 26 97.161 -2.548 12.322 1.00 0.00 H new ATOM 437 N VAL A 27 92.033 -2.359 9.969 1.00 0.00 N ATOM 438 CA VAL A 27 90.890 -1.540 9.471 1.00 0.00 C ATOM 439 C VAL A 27 89.616 -1.938 10.230 1.00 0.00 C ATOM 440 O VAL A 27 89.072 -3.002 10.015 1.00 0.00 O ATOM 441 CB VAL A 27 90.692 -1.804 7.979 1.00 0.00 C ATOM 442 CG1 VAL A 27 89.530 -0.953 7.459 1.00 0.00 C ATOM 443 CG2 VAL A 27 91.972 -1.439 7.221 1.00 0.00 C ATOM 0 H VAL A 27 91.879 -3.367 9.956 1.00 0.00 H new ATOM 0 HA VAL A 27 91.098 -0.482 9.631 1.00 0.00 H new ATOM 0 HB VAL A 27 90.467 -2.859 7.824 1.00 0.00 H new ATOM 0 HG11 VAL A 27 89.389 -1.141 6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 27 88.619 -1.213 7.998 1.00 0.00 H new ATOM 0 HG13 VAL A 27 89.754 0.102 7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 27 91.831 -1.627 6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 27 92.198 -0.384 7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 27 92.799 -2.046 7.590 1.00 0.00 H new ATOM 453 N PRO A 28 89.146 -1.094 11.115 1.00 0.00 N ATOM 454 CA PRO A 28 87.919 -1.374 11.914 1.00 0.00 C ATOM 455 C PRO A 28 86.774 -1.920 11.057 1.00 0.00 C ATOM 456 O PRO A 28 86.594 -1.530 9.919 1.00 0.00 O ATOM 457 CB PRO A 28 87.551 -0.009 12.498 1.00 0.00 C ATOM 458 CG PRO A 28 88.840 0.738 12.585 1.00 0.00 C ATOM 459 CD PRO A 28 89.727 0.217 11.452 1.00 0.00 C ATOM 0 HA PRO A 28 88.094 -2.140 12.670 1.00 0.00 H new ATOM 0 HB2 PRO A 28 86.836 0.512 11.862 1.00 0.00 H new ATOM 0 HB3 PRO A 28 87.088 -0.112 13.480 1.00 0.00 H new ATOM 0 HG2 PRO A 28 88.673 1.810 12.484 1.00 0.00 H new ATOM 0 HG3 PRO A 28 89.315 0.579 13.553 1.00 0.00 H new ATOM 0 HD2 PRO A 28 89.715 0.890 10.595 1.00 0.00 H new ATOM 0 HD3 PRO A 28 90.765 0.123 11.770 1.00 0.00 H new ATOM 467 N THR A 29 85.998 -2.821 11.595 1.00 0.00 N ATOM 468 CA THR A 29 84.866 -3.395 10.816 1.00 0.00 C ATOM 469 C THR A 29 84.016 -2.259 10.243 1.00 0.00 C ATOM 470 O THR A 29 83.708 -2.231 9.069 1.00 0.00 O ATOM 471 CB THR A 29 84.004 -4.267 11.734 1.00 0.00 C ATOM 472 OG1 THR A 29 84.846 -5.084 12.533 1.00 0.00 O ATOM 473 CG2 THR A 29 83.079 -5.152 10.892 1.00 0.00 C ATOM 0 H THR A 29 86.100 -3.185 12.543 1.00 0.00 H new ATOM 0 HA THR A 29 85.256 -4.004 10.001 1.00 0.00 H new ATOM 0 HB THR A 29 83.399 -3.627 12.376 1.00 0.00 H new ATOM 0 HG1 THR A 29 84.297 -5.642 13.123 1.00 0.00 H new ATOM 0 HG21 THR A 29 82.468 -5.770 11.550 1.00 0.00 H new ATOM 0 HG22 THR A 29 82.432 -4.523 10.281 1.00 0.00 H new ATOM 0 HG23 THR A 29 83.678 -5.793 10.245 1.00 0.00 H new ATOM 481 N ASN A 30 83.632 -1.321 11.066 1.00 0.00 N ATOM 482 CA ASN A 30 82.803 -0.187 10.569 1.00 0.00 C ATOM 483 C ASN A 30 83.430 0.381 9.294 1.00 0.00 C ATOM 484 O ASN A 30 82.825 1.165 8.590 1.00 0.00 O ATOM 485 CB ASN A 30 82.742 0.905 11.639 1.00 0.00 C ATOM 486 CG ASN A 30 81.469 1.735 11.450 1.00 0.00 C ATOM 487 OD1 ASN A 30 81.372 2.515 10.526 1.00 0.00 O ATOM 488 ND2 ASN A 30 80.485 1.598 12.296 1.00 0.00 N ATOM 0 H ASN A 30 83.857 -1.291 12.061 1.00 0.00 H new ATOM 0 HA ASN A 30 81.795 -0.540 10.352 1.00 0.00 H new ATOM 0 HB2 ASN A 30 82.752 0.457 12.632 1.00 0.00 H new ATOM 0 HB3 ASN A 30 83.621 1.546 11.570 1.00 0.00 H new ATOM 0 HD21 ASN A 30 79.633 2.147 12.181 1.00 0.00 H new ATOM 0 HD22 ASN A 30 80.568 0.942 13.073 1.00 0.00 H new ATOM 495 N LEU A 31 84.641 -0.009 8.991 1.00 0.00 N ATOM 496 CA LEU A 31 85.309 0.508 7.765 1.00 0.00 C ATOM 497 C LEU A 31 85.539 -0.644 6.782 1.00 0.00 C ATOM 498 O LEU A 31 85.775 -0.431 5.610 1.00 0.00 O ATOM 499 CB LEU A 31 86.653 1.135 8.142 1.00 0.00 C ATOM 500 CG LEU A 31 86.414 2.393 8.980 1.00 0.00 C ATOM 501 CD1 LEU A 31 87.756 2.957 9.450 1.00 0.00 C ATOM 502 CD2 LEU A 31 85.686 3.442 8.133 1.00 0.00 C ATOM 0 H LEU A 31 85.195 -0.664 9.542 1.00 0.00 H new ATOM 0 HA LEU A 31 84.675 1.262 7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 31 87.255 0.420 8.704 1.00 0.00 H new ATOM 0 HB3 LEU A 31 87.214 1.386 7.242 1.00 0.00 H new ATOM 0 HG LEU A 31 85.804 2.140 9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 31 87.585 3.853 10.047 1.00 0.00 H new ATOM 0 HD12 LEU A 31 88.272 2.211 10.055 1.00 0.00 H new ATOM 0 HD13 LEU A 31 88.368 3.209 8.584 1.00 0.00 H new ATOM 0 HD21 LEU A 31 85.516 4.338 8.730 1.00 0.00 H new ATOM 0 HD22 LEU A 31 86.295 3.695 7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 31 84.729 3.041 7.800 1.00 0.00 H new ATOM 514 N TYR A 32 85.473 -1.861 7.251 1.00 0.00 N ATOM 515 CA TYR A 32 85.685 -3.027 6.341 1.00 0.00 C ATOM 516 C TYR A 32 85.030 -2.740 4.988 1.00 0.00 C ATOM 517 O TYR A 32 83.845 -2.486 4.902 1.00 0.00 O ATOM 518 CB TYR A 32 85.054 -4.279 6.964 1.00 0.00 C ATOM 519 CG TYR A 32 86.135 -5.274 7.324 1.00 0.00 C ATOM 520 CD1 TYR A 32 86.008 -6.614 6.939 1.00 0.00 C ATOM 521 CD2 TYR A 32 87.260 -4.855 8.045 1.00 0.00 C ATOM 522 CE1 TYR A 32 87.007 -7.536 7.274 1.00 0.00 C ATOM 523 CE2 TYR A 32 88.260 -5.777 8.378 1.00 0.00 C ATOM 524 CZ TYR A 32 88.133 -7.118 7.993 1.00 0.00 C ATOM 525 OH TYR A 32 89.119 -8.026 8.322 1.00 0.00 O ATOM 0 H TYR A 32 85.282 -2.100 8.224 1.00 0.00 H new ATOM 0 HA TYR A 32 86.753 -3.192 6.198 1.00 0.00 H new ATOM 0 HB2 TYR A 32 84.487 -4.007 7.854 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.351 -4.730 6.264 1.00 0.00 H new ATOM 0 HD1 TYR A 32 85.140 -6.936 6.384 1.00 0.00 H new ATOM 0 HD2 TYR A 32 87.356 -3.822 8.344 1.00 0.00 H new ATOM 0 HE1 TYR A 32 86.909 -8.570 6.978 1.00 0.00 H new ATOM 0 HE2 TYR A 32 89.129 -5.454 8.932 1.00 0.00 H new ATOM 0 HH TYR A 32 89.830 -7.571 8.820 1.00 0.00 H new ATOM 535 N GLY A 33 85.793 -2.781 3.927 1.00 0.00 N ATOM 536 CA GLY A 33 85.216 -2.512 2.578 1.00 0.00 C ATOM 537 C GLY A 33 85.699 -1.152 2.077 1.00 0.00 C ATOM 538 O GLY A 33 85.521 -0.804 0.925 1.00 0.00 O ATOM 0 H GLY A 33 86.791 -2.989 3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 33 85.515 -3.295 1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 33 84.127 -2.527 2.627 1.00 0.00 H new ATOM 542 N ASP A 34 86.311 -0.376 2.930 1.00 0.00 N ATOM 543 CA ASP A 34 86.806 0.961 2.501 1.00 0.00 C ATOM 544 C ASP A 34 88.268 0.845 2.064 1.00 0.00 C ATOM 545 O ASP A 34 88.977 -0.057 2.464 1.00 0.00 O ATOM 546 CB ASP A 34 86.698 1.944 3.669 1.00 0.00 C ATOM 547 CG ASP A 34 85.232 2.093 4.077 1.00 0.00 C ATOM 548 OD1 ASP A 34 84.456 1.205 3.763 1.00 0.00 O ATOM 549 OD2 ASP A 34 84.907 3.095 4.693 1.00 0.00 O ATOM 0 H ASP A 34 86.489 -0.612 3.906 1.00 0.00 H new ATOM 0 HA ASP A 34 86.204 1.322 1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 34 87.287 1.587 4.514 1.00 0.00 H new ATOM 0 HB3 ASP A 34 87.107 2.913 3.382 1.00 0.00 H new ATOM 554 N PHE A 35 88.726 1.753 1.245 1.00 0.00 N ATOM 555 CA PHE A 35 90.142 1.694 0.785 1.00 0.00 C ATOM 556 C PHE A 35 90.675 3.113 0.582 1.00 0.00 C ATOM 557 O PHE A 35 90.020 3.955 0.000 1.00 0.00 O ATOM 558 CB PHE A 35 90.215 0.928 -0.538 1.00 0.00 C ATOM 559 CG PHE A 35 89.762 -0.497 -0.324 1.00 0.00 C ATOM 560 CD1 PHE A 35 90.707 -1.516 -0.168 1.00 0.00 C ATOM 561 CD2 PHE A 35 88.395 -0.796 -0.281 1.00 0.00 C ATOM 562 CE1 PHE A 35 90.285 -2.837 0.029 1.00 0.00 C ATOM 563 CE2 PHE A 35 87.973 -2.117 -0.083 1.00 0.00 C ATOM 564 CZ PHE A 35 88.919 -3.137 0.071 1.00 0.00 C ATOM 0 H PHE A 35 88.181 2.532 0.875 1.00 0.00 H new ATOM 0 HA PHE A 35 90.746 1.185 1.536 1.00 0.00 H new ATOM 0 HB2 PHE A 35 89.586 1.412 -1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 35 91.235 0.942 -0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 35 91.761 -1.285 -0.199 1.00 0.00 H new ATOM 0 HD2 PHE A 35 87.666 -0.008 -0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 35 91.014 -3.624 0.149 1.00 0.00 H new ATOM 0 HE2 PHE A 35 86.919 -2.348 -0.049 1.00 0.00 H new ATOM 0 HZ PHE A 35 88.594 -4.156 0.222 1.00 0.00 H new ATOM 574 N PHE A 36 91.857 3.388 1.061 1.00 0.00 N ATOM 575 CA PHE A 36 92.431 4.754 0.898 1.00 0.00 C ATOM 576 C PHE A 36 93.491 4.730 -0.208 1.00 0.00 C ATOM 577 O PHE A 36 94.472 4.018 -0.124 1.00 0.00 O ATOM 578 CB PHE A 36 93.072 5.199 2.219 1.00 0.00 C ATOM 579 CG PHE A 36 92.699 6.633 2.509 1.00 0.00 C ATOM 580 CD1 PHE A 36 92.754 7.591 1.490 1.00 0.00 C ATOM 581 CD2 PHE A 36 92.298 7.004 3.797 1.00 0.00 C ATOM 582 CE1 PHE A 36 92.408 8.921 1.760 1.00 0.00 C ATOM 583 CE2 PHE A 36 91.951 8.334 4.068 1.00 0.00 C ATOM 584 CZ PHE A 36 92.007 9.292 3.049 1.00 0.00 C ATOM 0 H PHE A 36 92.451 2.725 1.559 1.00 0.00 H new ATOM 0 HA PHE A 36 91.641 5.454 0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 36 92.737 4.555 3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 36 94.156 5.100 2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 36 93.063 7.305 0.496 1.00 0.00 H new ATOM 0 HD2 PHE A 36 92.256 6.265 4.583 1.00 0.00 H new ATOM 0 HE1 PHE A 36 92.451 9.660 0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 36 91.641 8.620 5.062 1.00 0.00 H new ATOM 0 HZ PHE A 36 91.741 10.318 3.257 1.00 0.00 H new ATOM 594 N THR A 37 93.300 5.501 -1.244 1.00 0.00 N ATOM 595 CA THR A 37 94.297 5.520 -2.352 1.00 0.00 C ATOM 596 C THR A 37 95.645 6.008 -1.816 1.00 0.00 C ATOM 597 O THR A 37 96.686 5.730 -2.379 1.00 0.00 O ATOM 598 CB THR A 37 93.814 6.462 -3.456 1.00 0.00 C ATOM 599 OG1 THR A 37 93.780 7.793 -2.960 1.00 0.00 O ATOM 600 CG2 THR A 37 92.413 6.046 -3.906 1.00 0.00 C ATOM 0 H THR A 37 92.498 6.118 -1.371 1.00 0.00 H new ATOM 0 HA THR A 37 94.410 4.515 -2.757 1.00 0.00 H new ATOM 0 HB THR A 37 94.496 6.409 -4.304 1.00 0.00 H new ATOM 0 HG1 THR A 37 93.801 8.423 -3.711 1.00 0.00 H new ATOM 0 HG21 THR A 37 92.069 6.718 -4.693 1.00 0.00 H new ATOM 0 HG22 THR A 37 92.441 5.025 -4.287 1.00 0.00 H new ATOM 0 HG23 THR A 37 91.728 6.098 -3.059 1.00 0.00 H new ATOM 608 N GLY A 38 95.635 6.732 -0.732 1.00 0.00 N ATOM 609 CA GLY A 38 96.917 7.236 -0.161 1.00 0.00 C ATOM 610 C GLY A 38 97.490 6.195 0.802 1.00 0.00 C ATOM 611 O GLY A 38 98.241 6.512 1.701 1.00 0.00 O ATOM 0 H GLY A 38 94.796 6.997 -0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 38 97.629 7.438 -0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 38 96.749 8.178 0.362 1.00 0.00 H new ATOM 615 N ASP A 39 97.141 4.950 0.617 1.00 0.00 N ATOM 616 CA ASP A 39 97.664 3.887 1.518 1.00 0.00 C ATOM 617 C ASP A 39 97.545 2.529 0.822 1.00 0.00 C ATOM 618 O ASP A 39 96.534 2.214 0.226 1.00 0.00 O ATOM 619 CB ASP A 39 96.852 3.871 2.814 1.00 0.00 C ATOM 620 CG ASP A 39 96.900 5.253 3.466 1.00 0.00 C ATOM 621 OD1 ASP A 39 97.762 5.461 4.305 1.00 0.00 O ATOM 622 OD2 ASP A 39 96.074 6.080 3.117 1.00 0.00 O ATOM 0 H ASP A 39 96.516 4.625 -0.120 1.00 0.00 H new ATOM 0 HA ASP A 39 98.710 4.087 1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 39 95.819 3.592 2.605 1.00 0.00 H new ATOM 0 HB3 ASP A 39 97.252 3.122 3.497 1.00 0.00 H new ATOM 627 N ALA A 40 98.568 1.725 0.890 1.00 0.00 N ATOM 628 CA ALA A 40 98.511 0.389 0.232 1.00 0.00 C ATOM 629 C ALA A 40 97.688 -0.568 1.099 1.00 0.00 C ATOM 630 O ALA A 40 97.777 -0.555 2.311 1.00 0.00 O ATOM 631 CB ALA A 40 99.934 -0.157 0.066 1.00 0.00 C ATOM 0 H ALA A 40 99.442 1.934 1.373 1.00 0.00 H new ATOM 0 HA ALA A 40 98.043 0.481 -0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 40 99.895 -1.134 -0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 40 100.517 0.528 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 40 100.403 -0.253 1.045 1.00 0.00 H new ATOM 637 N TYR A 41 96.885 -1.398 0.485 1.00 0.00 N ATOM 638 CA TYR A 41 96.057 -2.355 1.274 1.00 0.00 C ATOM 639 C TYR A 41 96.478 -3.788 0.938 1.00 0.00 C ATOM 640 O TYR A 41 96.660 -4.135 -0.212 1.00 0.00 O ATOM 641 CB TYR A 41 94.578 -2.162 0.925 1.00 0.00 C ATOM 642 CG TYR A 41 93.960 -1.143 1.853 1.00 0.00 C ATOM 643 CD1 TYR A 41 94.336 0.202 1.765 1.00 0.00 C ATOM 644 CD2 TYR A 41 93.008 -1.545 2.797 1.00 0.00 C ATOM 645 CE1 TYR A 41 93.760 1.147 2.623 1.00 0.00 C ATOM 646 CE2 TYR A 41 92.432 -0.599 3.655 1.00 0.00 C ATOM 647 CZ TYR A 41 92.808 0.745 3.568 1.00 0.00 C ATOM 648 OH TYR A 41 92.240 1.676 4.414 1.00 0.00 O ATOM 0 H TYR A 41 96.768 -1.454 -0.527 1.00 0.00 H new ATOM 0 HA TYR A 41 96.204 -2.172 2.338 1.00 0.00 H new ATOM 0 HB2 TYR A 41 94.479 -1.832 -0.109 1.00 0.00 H new ATOM 0 HB3 TYR A 41 94.049 -3.111 1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 41 95.070 0.511 1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 41 92.718 -2.583 2.864 1.00 0.00 H new ATOM 0 HE1 TYR A 41 94.050 2.185 2.556 1.00 0.00 H new ATOM 0 HE2 TYR A 41 91.697 -0.908 4.384 1.00 0.00 H new ATOM 0 HH TYR A 41 91.442 1.292 4.834 1.00 0.00 H new ATOM 658 N VAL A 42 96.634 -4.619 1.932 1.00 0.00 N ATOM 659 CA VAL A 42 97.044 -6.027 1.671 1.00 0.00 C ATOM 660 C VAL A 42 95.956 -6.970 2.176 1.00 0.00 C ATOM 661 O VAL A 42 95.425 -6.794 3.259 1.00 0.00 O ATOM 662 CB VAL A 42 98.334 -6.324 2.423 1.00 0.00 C ATOM 663 CG1 VAL A 42 99.176 -7.327 1.630 1.00 0.00 C ATOM 664 CG2 VAL A 42 99.126 -5.030 2.619 1.00 0.00 C ATOM 0 H VAL A 42 96.495 -4.383 2.915 1.00 0.00 H new ATOM 0 HA VAL A 42 97.195 -6.168 0.601 1.00 0.00 H new ATOM 0 HB VAL A 42 98.091 -6.749 3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 42 100.098 -7.537 2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 42 98.614 -8.252 1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 42 99.417 -6.908 0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 42 100.049 -5.246 3.158 1.00 0.00 H new ATOM 0 HG22 VAL A 42 99.366 -4.599 1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 42 98.529 -4.321 3.193 1.00 0.00 H new ATOM 674 N ILE A 43 95.625 -7.970 1.408 1.00 0.00 N ATOM 675 CA ILE A 43 94.575 -8.925 1.847 1.00 0.00 C ATOM 676 C ILE A 43 95.078 -10.359 1.681 1.00 0.00 C ATOM 677 O ILE A 43 95.753 -10.685 0.725 1.00 0.00 O ATOM 678 CB ILE A 43 93.308 -8.721 1.014 1.00 0.00 C ATOM 679 CG1 ILE A 43 93.372 -7.374 0.282 1.00 0.00 C ATOM 680 CG2 ILE A 43 92.102 -8.725 1.945 1.00 0.00 C ATOM 681 CD1 ILE A 43 93.403 -6.227 1.297 1.00 0.00 C ATOM 0 H ILE A 43 96.037 -8.166 0.496 1.00 0.00 H new ATOM 0 HA ILE A 43 94.345 -8.746 2.897 1.00 0.00 H new ATOM 0 HB ILE A 43 93.223 -9.523 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 43 94.260 -7.336 -0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 43 92.509 -7.266 -0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 43 91.192 -8.580 1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 43 92.050 -9.680 2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 43 92.200 -7.918 2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 43 93.448 -5.275 0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 43 92.502 -6.259 1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 43 94.280 -6.330 1.936 1.00 0.00 H new ATOM 693 N LEU A 44 94.751 -11.221 2.607 1.00 0.00 N ATOM 694 CA LEU A 44 95.210 -12.637 2.506 1.00 0.00 C ATOM 695 C LEU A 44 94.020 -13.578 2.687 1.00 0.00 C ATOM 696 O LEU A 44 93.391 -13.609 3.727 1.00 0.00 O ATOM 697 CB LEU A 44 96.252 -12.920 3.590 1.00 0.00 C ATOM 698 CG LEU A 44 97.045 -14.177 3.223 1.00 0.00 C ATOM 699 CD1 LEU A 44 98.189 -14.370 4.219 1.00 0.00 C ATOM 700 CD2 LEU A 44 96.120 -15.397 3.266 1.00 0.00 C ATOM 0 H LEU A 44 94.186 -11.006 3.429 1.00 0.00 H new ATOM 0 HA LEU A 44 95.655 -12.800 1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 44 96.926 -12.069 3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 44 95.761 -13.056 4.554 1.00 0.00 H new ATOM 0 HG LEU A 44 97.453 -14.066 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 44 98.753 -15.265 3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 44 98.849 -13.503 4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 44 97.782 -14.479 5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 44 96.685 -16.292 3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 44 95.710 -15.507 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 44 95.306 -15.261 2.554 1.00 0.00 H new ATOM 712 N LYS A 45 93.707 -14.348 1.681 1.00 0.00 N ATOM 713 CA LYS A 45 92.559 -15.292 1.796 1.00 0.00 C ATOM 714 C LYS A 45 93.053 -16.626 2.361 1.00 0.00 C ATOM 715 O LYS A 45 94.066 -17.150 1.944 1.00 0.00 O ATOM 716 CB LYS A 45 91.941 -15.520 0.414 1.00 0.00 C ATOM 717 CG LYS A 45 90.452 -15.851 0.562 1.00 0.00 C ATOM 718 CD LYS A 45 90.031 -16.841 -0.526 1.00 0.00 C ATOM 719 CE LYS A 45 90.113 -16.164 -1.895 1.00 0.00 C ATOM 720 NZ LYS A 45 88.947 -15.253 -2.071 1.00 0.00 N ATOM 0 H LYS A 45 94.196 -14.364 0.786 1.00 0.00 H new ATOM 0 HA LYS A 45 91.807 -14.869 2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 45 92.066 -14.630 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 45 92.456 -16.335 -0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 45 90.261 -16.276 1.547 1.00 0.00 H new ATOM 0 HG3 LYS A 45 89.858 -14.940 0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 45 90.678 -17.718 -0.504 1.00 0.00 H new ATOM 0 HD3 LYS A 45 89.015 -17.189 -0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 45 91.043 -15.602 -1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 45 90.123 -16.916 -2.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 88.638 -15.272 -3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 88.166 -15.566 -1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 89.222 -14.284 -1.813 1.00 0.00 H new ATOM 734 N THR A 46 92.347 -17.180 3.309 1.00 0.00 N ATOM 735 CA THR A 46 92.779 -18.480 3.897 1.00 0.00 C ATOM 736 C THR A 46 91.551 -19.355 4.155 1.00 0.00 C ATOM 737 O THR A 46 90.698 -19.015 4.950 1.00 0.00 O ATOM 738 CB THR A 46 93.510 -18.222 5.219 1.00 0.00 C ATOM 739 OG1 THR A 46 94.168 -16.965 5.155 1.00 0.00 O ATOM 740 CG2 THR A 46 94.539 -19.327 5.464 1.00 0.00 C ATOM 0 H THR A 46 91.491 -16.789 3.701 1.00 0.00 H new ATOM 0 HA THR A 46 93.449 -18.990 3.204 1.00 0.00 H new ATOM 0 HB THR A 46 92.789 -18.216 6.037 1.00 0.00 H new ATOM 0 HG1 THR A 46 94.635 -16.797 6.000 1.00 0.00 H new ATOM 0 HG21 THR A 46 95.057 -19.140 6.405 1.00 0.00 H new ATOM 0 HG22 THR A 46 94.033 -20.291 5.514 1.00 0.00 H new ATOM 0 HG23 THR A 46 95.262 -19.338 4.648 1.00 0.00 H new ATOM 748 N VAL A 47 91.449 -20.477 3.491 1.00 0.00 N ATOM 749 CA VAL A 47 90.272 -21.361 3.703 1.00 0.00 C ATOM 750 C VAL A 47 90.756 -22.761 4.070 1.00 0.00 C ATOM 751 O VAL A 47 91.919 -23.075 3.947 1.00 0.00 O ATOM 752 CB VAL A 47 89.453 -21.435 2.421 1.00 0.00 C ATOM 753 CG1 VAL A 47 87.964 -21.528 2.761 1.00 0.00 C ATOM 754 CG2 VAL A 47 89.708 -20.183 1.578 1.00 0.00 C ATOM 0 H VAL A 47 92.131 -20.816 2.812 1.00 0.00 H new ATOM 0 HA VAL A 47 89.655 -20.959 4.507 1.00 0.00 H new ATOM 0 HB VAL A 47 89.748 -22.320 1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 47 87.383 -21.581 1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 47 87.782 -22.423 3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 47 87.665 -20.647 3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 47 89.122 -20.236 0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.417 -19.298 2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 47 90.767 -20.122 1.329 1.00 0.00 H new ATOM 764 N GLN A 48 89.867 -23.601 4.514 1.00 0.00 N ATOM 765 CA GLN A 48 90.259 -24.989 4.889 1.00 0.00 C ATOM 766 C GLN A 48 89.565 -25.978 3.950 1.00 0.00 C ATOM 767 O GLN A 48 88.357 -25.994 3.833 1.00 0.00 O ATOM 768 CB GLN A 48 89.829 -25.261 6.336 1.00 0.00 C ATOM 769 CG GLN A 48 90.880 -26.125 7.037 1.00 0.00 C ATOM 770 CD GLN A 48 90.824 -27.551 6.488 1.00 0.00 C ATOM 771 OE1 GLN A 48 91.005 -27.767 5.306 1.00 0.00 O ATOM 772 NE2 GLN A 48 90.578 -28.541 7.302 1.00 0.00 N ATOM 0 H GLN A 48 88.877 -23.386 4.635 1.00 0.00 H new ATOM 0 HA GLN A 48 91.339 -25.106 4.804 1.00 0.00 H new ATOM 0 HB2 GLN A 48 89.704 -24.319 6.871 1.00 0.00 H new ATOM 0 HB3 GLN A 48 88.863 -25.766 6.349 1.00 0.00 H new ATOM 0 HG2 GLN A 48 91.873 -25.704 6.882 1.00 0.00 H new ATOM 0 HG3 GLN A 48 90.701 -26.132 8.112 1.00 0.00 H new ATOM 0 HE21 GLN A 48 90.426 -28.360 8.294 1.00 0.00 H new ATOM 0 HE22 GLN A 48 90.538 -29.496 6.946 1.00 0.00 H new ATOM 781 N LEU A 49 90.322 -26.803 3.279 1.00 0.00 N ATOM 782 CA LEU A 49 89.701 -27.789 2.346 1.00 0.00 C ATOM 783 C LEU A 49 89.703 -29.176 2.992 1.00 0.00 C ATOM 784 O LEU A 49 90.703 -29.865 2.994 1.00 0.00 O ATOM 785 CB LEU A 49 90.501 -27.835 1.041 1.00 0.00 C ATOM 786 CG LEU A 49 91.035 -26.436 0.709 1.00 0.00 C ATOM 787 CD1 LEU A 49 92.486 -26.314 1.178 1.00 0.00 C ATOM 788 CD2 LEU A 49 90.971 -26.210 -0.804 1.00 0.00 C ATOM 0 H LEU A 49 91.340 -26.838 3.335 1.00 0.00 H new ATOM 0 HA LEU A 49 88.675 -27.488 2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 49 91.329 -28.537 1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 49 89.869 -28.195 0.229 1.00 0.00 H new ATOM 0 HG LEU A 49 90.425 -25.689 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 49 92.863 -25.319 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 49 92.535 -26.473 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 49 93.096 -27.063 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 49 91.350 -25.216 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 49 91.579 -26.960 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 49 89.938 -26.293 -1.141 1.00 0.00 H new ATOM 800 N ARG A 50 88.585 -29.587 3.533 1.00 0.00 N ATOM 801 CA ARG A 50 88.502 -30.932 4.182 1.00 0.00 C ATOM 802 C ARG A 50 89.887 -31.366 4.668 1.00 0.00 C ATOM 803 O ARG A 50 90.404 -32.388 4.262 1.00 0.00 O ATOM 804 CB ARG A 50 87.972 -31.951 3.170 1.00 0.00 C ATOM 805 CG ARG A 50 86.443 -31.890 3.137 1.00 0.00 C ATOM 806 CD ARG A 50 85.905 -33.010 2.245 1.00 0.00 C ATOM 807 NE ARG A 50 86.398 -34.324 2.746 1.00 0.00 N ATOM 808 CZ ARG A 50 85.713 -35.411 2.513 1.00 0.00 C ATOM 809 NH1 ARG A 50 86.144 -36.561 2.956 1.00 0.00 N ATOM 810 NH2 ARG A 50 84.598 -35.348 1.840 1.00 0.00 N ATOM 0 H ARG A 50 87.720 -29.046 3.554 1.00 0.00 H new ATOM 0 HA ARG A 50 87.827 -30.877 5.036 1.00 0.00 H new ATOM 0 HB2 ARG A 50 88.376 -31.740 2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 50 88.301 -32.954 3.442 1.00 0.00 H new ATOM 0 HG2 ARG A 50 86.043 -31.991 4.146 1.00 0.00 H new ATOM 0 HG3 ARG A 50 86.115 -30.921 2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 50 84.815 -32.995 2.242 1.00 0.00 H new ATOM 0 HD3 ARG A 50 86.228 -32.857 1.215 1.00 0.00 H new ATOM 0 HE ARG A 50 87.271 -34.374 3.271 1.00 0.00 H new ATOM 0 HH11 ARG A 50 87.015 -36.610 3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 50 85.609 -37.410 2.774 1.00 0.00 H new ATOM 0 HH21 ARG A 50 84.260 -34.449 1.495 1.00 0.00 H new ATOM 0 HH22 ARG A 50 84.063 -36.197 1.658 1.00 0.00 H new ATOM 824 N ASN A 51 90.492 -30.595 5.528 1.00 0.00 N ATOM 825 CA ASN A 51 91.843 -30.962 6.035 1.00 0.00 C ATOM 826 C ASN A 51 92.791 -31.163 4.853 1.00 0.00 C ATOM 827 O ASN A 51 93.473 -32.164 4.753 1.00 0.00 O ATOM 828 CB ASN A 51 91.752 -32.260 6.843 1.00 0.00 C ATOM 829 CG ASN A 51 90.759 -32.078 7.993 1.00 0.00 C ATOM 830 OD1 ASN A 51 89.832 -31.300 7.892 1.00 0.00 O ATOM 831 ND2 ASN A 51 90.917 -32.767 9.090 1.00 0.00 N ATOM 0 H ASN A 51 90.109 -29.727 5.902 1.00 0.00 H new ATOM 0 HA ASN A 51 92.221 -30.164 6.674 1.00 0.00 H new ATOM 0 HB2 ASN A 51 91.433 -33.080 6.199 1.00 0.00 H new ATOM 0 HB3 ASN A 51 92.734 -32.526 7.235 1.00 0.00 H new ATOM 0 HD21 ASN A 51 90.262 -32.652 9.863 1.00 0.00 H new ATOM 0 HD22 ASN A 51 91.696 -33.420 9.174 1.00 0.00 H new ATOM 838 N GLY A 52 92.840 -30.218 3.953 1.00 0.00 N ATOM 839 CA GLY A 52 93.744 -30.355 2.777 1.00 0.00 C ATOM 840 C GLY A 52 95.080 -29.677 3.081 1.00 0.00 C ATOM 841 O GLY A 52 96.053 -30.325 3.416 1.00 0.00 O ATOM 0 H GLY A 52 92.293 -29.358 3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 52 93.902 -31.409 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 52 93.286 -29.902 1.898 1.00 0.00 H new ATOM 845 N ASN A 53 95.139 -28.378 2.967 1.00 0.00 N ATOM 846 CA ASN A 53 96.416 -27.666 3.250 1.00 0.00 C ATOM 847 C ASN A 53 96.141 -26.175 3.422 1.00 0.00 C ATOM 848 O ASN A 53 97.016 -25.346 3.270 1.00 0.00 O ATOM 849 CB ASN A 53 97.384 -27.879 2.086 1.00 0.00 C ATOM 850 CG ASN A 53 98.719 -28.410 2.612 1.00 0.00 C ATOM 851 OD1 ASN A 53 99.335 -27.802 3.466 1.00 0.00 O ATOM 852 ND2 ASN A 53 99.196 -29.527 2.135 1.00 0.00 N ATOM 0 H ASN A 53 94.360 -27.781 2.691 1.00 0.00 H new ATOM 0 HA ASN A 53 96.858 -28.059 4.166 1.00 0.00 H new ATOM 0 HB2 ASN A 53 96.958 -28.583 1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 53 97.540 -26.940 1.554 1.00 0.00 H new ATOM 0 HD21 ASN A 53 100.085 -29.890 2.479 1.00 0.00 H new ATOM 0 HD22 ASN A 53 98.680 -30.037 1.419 1.00 0.00 H new ATOM 859 N LEU A 54 94.933 -25.836 3.740 1.00 0.00 N ATOM 860 CA LEU A 54 94.577 -24.412 3.929 1.00 0.00 C ATOM 861 C LEU A 54 94.924 -23.632 2.665 1.00 0.00 C ATOM 862 O LEU A 54 96.071 -23.351 2.385 1.00 0.00 O ATOM 863 CB LEU A 54 95.347 -23.856 5.123 1.00 0.00 C ATOM 864 CG LEU A 54 94.512 -24.053 6.390 1.00 0.00 C ATOM 865 CD1 LEU A 54 95.372 -23.767 7.621 1.00 0.00 C ATOM 866 CD2 LEU A 54 93.306 -23.102 6.372 1.00 0.00 C ATOM 0 H LEU A 54 94.166 -26.493 3.879 1.00 0.00 H new ATOM 0 HA LEU A 54 93.508 -24.317 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 54 96.306 -24.364 5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 54 95.560 -22.798 4.974 1.00 0.00 H new ATOM 0 HG LEU A 54 94.156 -25.083 6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 54 94.775 -23.908 8.522 1.00 0.00 H new ATOM 0 HD12 LEU A 54 96.222 -24.450 7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 54 95.733 -22.739 7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 54 92.715 -23.247 7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 54 93.656 -22.071 6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 54 92.689 -23.313 5.498 1.00 0.00 H new ATOM 878 N GLN A 55 93.931 -23.285 1.898 1.00 0.00 N ATOM 879 CA GLN A 55 94.187 -22.524 0.641 1.00 0.00 C ATOM 880 C GLN A 55 94.669 -21.119 0.993 1.00 0.00 C ATOM 881 O GLN A 55 93.953 -20.342 1.592 1.00 0.00 O ATOM 882 CB GLN A 55 92.896 -22.433 -0.176 1.00 0.00 C ATOM 883 CG GLN A 55 93.241 -22.255 -1.657 1.00 0.00 C ATOM 884 CD GLN A 55 91.986 -21.838 -2.426 1.00 0.00 C ATOM 885 OE1 GLN A 55 91.564 -22.522 -3.336 1.00 0.00 O ATOM 886 NE2 GLN A 55 91.371 -20.735 -2.100 1.00 0.00 N ATOM 0 H GLN A 55 92.951 -23.495 2.086 1.00 0.00 H new ATOM 0 HA GLN A 55 94.949 -23.036 0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 55 92.300 -23.335 -0.036 1.00 0.00 H new ATOM 0 HB3 GLN A 55 92.292 -21.595 0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 55 94.019 -21.500 -1.772 1.00 0.00 H new ATOM 0 HG3 GLN A 55 93.637 -23.185 -2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 55 91.725 -20.160 -1.335 1.00 0.00 H new ATOM 0 HE22 GLN A 55 90.536 -20.447 -2.610 1.00 0.00 H new ATOM 895 N TYR A 56 95.878 -20.787 0.630 1.00 0.00 N ATOM 896 CA TYR A 56 96.410 -19.433 0.950 1.00 0.00 C ATOM 897 C TYR A 56 96.410 -18.560 -0.309 1.00 0.00 C ATOM 898 O TYR A 56 97.121 -18.823 -1.258 1.00 0.00 O ATOM 899 CB TYR A 56 97.844 -19.561 1.471 1.00 0.00 C ATOM 900 CG TYR A 56 97.844 -20.293 2.791 1.00 0.00 C ATOM 901 CD1 TYR A 56 97.745 -19.576 3.990 1.00 0.00 C ATOM 902 CD2 TYR A 56 97.946 -21.689 2.817 1.00 0.00 C ATOM 903 CE1 TYR A 56 97.750 -20.255 5.214 1.00 0.00 C ATOM 904 CE2 TYR A 56 97.949 -22.368 4.042 1.00 0.00 C ATOM 905 CZ TYR A 56 97.851 -21.651 5.239 1.00 0.00 C ATOM 906 OH TYR A 56 97.854 -22.321 6.447 1.00 0.00 O ATOM 0 H TYR A 56 96.521 -21.397 0.125 1.00 0.00 H new ATOM 0 HA TYR A 56 95.778 -18.972 1.709 1.00 0.00 H new ATOM 0 HB2 TYR A 56 98.457 -20.097 0.747 1.00 0.00 H new ATOM 0 HB3 TYR A 56 98.286 -18.572 1.593 1.00 0.00 H new ATOM 0 HD1 TYR A 56 97.665 -18.499 3.970 1.00 0.00 H new ATOM 0 HD2 TYR A 56 98.022 -22.242 1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 56 97.676 -19.702 6.139 1.00 0.00 H new ATOM 0 HE2 TYR A 56 98.027 -23.445 4.062 1.00 0.00 H new ATOM 0 HH TYR A 56 97.929 -23.285 6.286 1.00 0.00 H new ATOM 916 N ASP A 57 95.628 -17.516 -0.313 1.00 0.00 N ATOM 917 CA ASP A 57 95.588 -16.609 -1.496 1.00 0.00 C ATOM 918 C ASP A 57 95.959 -15.198 -1.033 1.00 0.00 C ATOM 919 O ASP A 57 95.798 -14.860 0.123 1.00 0.00 O ATOM 920 CB ASP A 57 94.177 -16.604 -2.099 1.00 0.00 C ATOM 921 CG ASP A 57 94.267 -16.730 -3.622 1.00 0.00 C ATOM 922 OD1 ASP A 57 94.239 -17.850 -4.107 1.00 0.00 O ATOM 923 OD2 ASP A 57 94.365 -15.706 -4.277 1.00 0.00 O ATOM 0 H ASP A 57 95.012 -17.250 0.455 1.00 0.00 H new ATOM 0 HA ASP A 57 96.291 -16.951 -2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 57 93.593 -17.429 -1.690 1.00 0.00 H new ATOM 0 HB3 ASP A 57 93.659 -15.683 -1.830 1.00 0.00 H new ATOM 928 N LEU A 58 96.463 -14.373 -1.909 1.00 0.00 N ATOM 929 CA LEU A 58 96.844 -12.998 -1.477 1.00 0.00 C ATOM 930 C LEU A 58 96.523 -11.982 -2.576 1.00 0.00 C ATOM 931 O LEU A 58 96.764 -12.209 -3.746 1.00 0.00 O ATOM 932 CB LEU A 58 98.345 -12.963 -1.170 1.00 0.00 C ATOM 933 CG LEU A 58 98.723 -11.595 -0.586 1.00 0.00 C ATOM 934 CD1 LEU A 58 98.689 -11.661 0.942 1.00 0.00 C ATOM 935 CD2 LEU A 58 100.135 -11.219 -1.043 1.00 0.00 C ATOM 0 H LEU A 58 96.626 -14.587 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 58 96.275 -12.737 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 58 98.600 -13.753 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 58 98.916 -13.151 -2.079 1.00 0.00 H new ATOM 0 HG LEU A 58 98.012 -10.846 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 58 98.958 -10.688 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 58 97.686 -11.930 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 58 99.399 -12.411 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.405 -10.247 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 58 100.843 -11.971 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 58 100.164 -11.170 -2.132 1.00 0.00 H new ATOM 947 N HIS A 59 95.991 -10.853 -2.195 1.00 0.00 N ATOM 948 CA HIS A 59 95.654 -9.799 -3.192 1.00 0.00 C ATOM 949 C HIS A 59 96.239 -8.467 -2.717 1.00 0.00 C ATOM 950 O HIS A 59 95.907 -7.978 -1.657 1.00 0.00 O ATOM 951 CB HIS A 59 94.132 -9.677 -3.311 1.00 0.00 C ATOM 952 CG HIS A 59 93.493 -11.004 -3.010 1.00 0.00 C ATOM 953 ND1 HIS A 59 92.644 -11.639 -3.908 1.00 0.00 N ATOM 954 CD2 HIS A 59 93.568 -11.832 -1.915 1.00 0.00 C ATOM 955 CE1 HIS A 59 92.247 -12.794 -3.343 1.00 0.00 C ATOM 956 NE2 HIS A 59 92.780 -12.957 -2.132 1.00 0.00 N ATOM 0 H HIS A 59 95.774 -10.614 -1.227 1.00 0.00 H new ATOM 0 HA HIS A 59 96.070 -10.060 -4.165 1.00 0.00 H new ATOM 0 HB2 HIS A 59 93.763 -8.919 -2.620 1.00 0.00 H new ATOM 0 HB3 HIS A 59 93.861 -9.351 -4.315 1.00 0.00 H new ATOM 0 HD2 HIS A 59 94.148 -11.639 -1.025 1.00 0.00 H new ATOM 0 HE1 HIS A 59 91.579 -13.501 -3.812 1.00 0.00 H new ATOM 0 HE2 HIS A 59 92.639 -13.743 -1.497 1.00 0.00 H new ATOM 964 N TYR A 60 97.113 -7.876 -3.486 1.00 0.00 N ATOM 965 CA TYR A 60 97.715 -6.577 -3.061 1.00 0.00 C ATOM 966 C TYR A 60 97.032 -5.431 -3.811 1.00 0.00 C ATOM 967 O TYR A 60 96.984 -5.414 -5.024 1.00 0.00 O ATOM 968 CB TYR A 60 99.214 -6.588 -3.379 1.00 0.00 C ATOM 969 CG TYR A 60 99.782 -5.192 -3.267 1.00 0.00 C ATOM 970 CD1 TYR A 60 99.324 -4.316 -2.273 1.00 0.00 C ATOM 971 CD2 TYR A 60 100.777 -4.774 -4.161 1.00 0.00 C ATOM 972 CE1 TYR A 60 99.862 -3.027 -2.176 1.00 0.00 C ATOM 973 CE2 TYR A 60 101.312 -3.485 -4.062 1.00 0.00 C ATOM 974 CZ TYR A 60 100.854 -2.611 -3.068 1.00 0.00 C ATOM 975 OH TYR A 60 101.383 -1.340 -2.970 1.00 0.00 O ATOM 0 H TYR A 60 97.436 -8.233 -4.385 1.00 0.00 H new ATOM 0 HA TYR A 60 97.574 -6.437 -1.989 1.00 0.00 H new ATOM 0 HB2 TYR A 60 99.734 -7.256 -2.692 1.00 0.00 H new ATOM 0 HB3 TYR A 60 99.377 -6.975 -4.385 1.00 0.00 H new ATOM 0 HD1 TYR A 60 98.557 -4.635 -1.583 1.00 0.00 H new ATOM 0 HD2 TYR A 60 101.131 -5.448 -4.927 1.00 0.00 H new ATOM 0 HE1 TYR A 60 99.509 -2.352 -1.410 1.00 0.00 H new ATOM 0 HE2 TYR A 60 102.078 -3.164 -4.752 1.00 0.00 H new ATOM 0 HH TYR A 60 100.806 -0.788 -2.402 1.00 0.00 H new ATOM 985 N TRP A 61 96.496 -4.473 -3.100 1.00 0.00 N ATOM 986 CA TRP A 61 95.812 -3.335 -3.777 1.00 0.00 C ATOM 987 C TRP A 61 96.710 -2.097 -3.744 1.00 0.00 C ATOM 988 O TRP A 61 97.176 -1.681 -2.698 1.00 0.00 O ATOM 989 CB TRP A 61 94.498 -3.029 -3.056 1.00 0.00 C ATOM 990 CG TRP A 61 93.610 -2.224 -3.950 1.00 0.00 C ATOM 991 CD1 TRP A 61 93.015 -2.686 -5.075 1.00 0.00 C ATOM 992 CD2 TRP A 61 93.204 -0.831 -3.816 1.00 0.00 C ATOM 993 NE1 TRP A 61 92.272 -1.665 -5.639 1.00 0.00 N ATOM 994 CE2 TRP A 61 92.357 -0.503 -4.899 1.00 0.00 C ATOM 995 CE3 TRP A 61 93.489 0.170 -2.869 1.00 0.00 C ATOM 996 CZ2 TRP A 61 91.809 0.774 -5.038 1.00 0.00 C ATOM 997 CZ3 TRP A 61 92.939 1.455 -3.005 1.00 0.00 C ATOM 998 CH2 TRP A 61 92.101 1.756 -4.088 1.00 0.00 C ATOM 0 H TRP A 61 96.503 -4.431 -2.081 1.00 0.00 H new ATOM 0 HA TRP A 61 95.607 -3.604 -4.813 1.00 0.00 H new ATOM 0 HB2 TRP A 61 94.002 -3.958 -2.774 1.00 0.00 H new ATOM 0 HB3 TRP A 61 94.696 -2.481 -2.135 1.00 0.00 H new ATOM 0 HD1 TRP A 61 93.106 -3.688 -5.468 1.00 0.00 H new ATOM 0 HE1 TRP A 61 91.728 -1.759 -6.497 1.00 0.00 H new ATOM 0 HE3 TRP A 61 94.135 -0.051 -2.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 91.164 1.001 -5.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 93.163 2.215 -2.271 1.00 0.00 H new ATOM 0 HH2 TRP A 61 91.682 2.746 -4.188 1.00 0.00 H new ATOM 1009 N LEU A 62 96.957 -1.507 -4.882 1.00 0.00 N ATOM 1010 CA LEU A 62 97.825 -0.297 -4.930 1.00 0.00 C ATOM 1011 C LEU A 62 96.954 0.961 -4.946 1.00 0.00 C ATOM 1012 O LEU A 62 95.778 0.909 -5.245 1.00 0.00 O ATOM 1013 CB LEU A 62 98.678 -0.335 -6.200 1.00 0.00 C ATOM 1014 CG LEU A 62 99.925 -1.188 -5.956 1.00 0.00 C ATOM 1015 CD1 LEU A 62 100.379 -1.821 -7.273 1.00 0.00 C ATOM 1016 CD2 LEU A 62 101.046 -0.304 -5.406 1.00 0.00 C ATOM 0 H LEU A 62 96.593 -1.813 -5.784 1.00 0.00 H new ATOM 0 HA LEU A 62 98.471 -0.281 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 62 98.099 -0.747 -7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 62 98.967 0.676 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 62 99.691 -1.973 -5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 62 101.267 -2.428 -7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 62 99.581 -2.450 -7.668 1.00 0.00 H new ATOM 0 HD13 LEU A 62 100.612 -1.036 -7.993 1.00 0.00 H new ATOM 0 HD21 LEU A 62 101.935 -0.910 -5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 62 101.277 0.481 -6.126 1.00 0.00 H new ATOM 0 HD23 LEU A 62 100.725 0.148 -4.467 1.00 0.00 H new ATOM 1028 N GLY A 63 97.526 2.092 -4.629 1.00 0.00 N ATOM 1029 CA GLY A 63 96.736 3.358 -4.628 1.00 0.00 C ATOM 1030 C GLY A 63 97.260 4.281 -5.730 1.00 0.00 C ATOM 1031 O GLY A 63 98.403 4.195 -6.135 1.00 0.00 O ATOM 0 H GLY A 63 98.507 2.194 -4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 63 95.680 3.142 -4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 63 96.815 3.849 -3.658 1.00 0.00 H new ATOM 1035 N ASN A 64 96.436 5.164 -6.223 1.00 0.00 N ATOM 1036 CA ASN A 64 96.888 6.089 -7.300 1.00 0.00 C ATOM 1037 C ASN A 64 97.798 7.162 -6.703 1.00 0.00 C ATOM 1038 O ASN A 64 98.472 7.882 -7.413 1.00 0.00 O ATOM 1039 CB ASN A 64 95.673 6.753 -7.953 1.00 0.00 C ATOM 1040 CG ASN A 64 96.081 7.351 -9.299 1.00 0.00 C ATOM 1041 OD1 ASN A 64 95.655 6.799 -10.402 1.00 0.00 O flip ATOM 1042 ND2 ASN A 64 96.796 8.333 -9.349 1.00 0.00 N flip ATOM 0 H ASN A 64 95.468 5.285 -5.926 1.00 0.00 H new ATOM 0 HA ASN A 64 97.438 5.524 -8.053 1.00 0.00 H new ATOM 0 HB2 ASN A 64 94.878 6.021 -8.094 1.00 0.00 H new ATOM 0 HB3 ASN A 64 95.277 7.532 -7.302 1.00 0.00 H new ATOM 0 HD21 ASN A 64 97.130 8.765 -8.488 1.00 0.00 H new ATOM 0 HD22 ASN A 64 97.062 8.725 -10.252 1.00 0.00 H new ATOM 1049 N GLU A 65 97.834 7.265 -5.405 1.00 0.00 N ATOM 1050 CA GLU A 65 98.709 8.277 -4.759 1.00 0.00 C ATOM 1051 C GLU A 65 99.858 7.540 -4.081 1.00 0.00 C ATOM 1052 O GLU A 65 100.393 7.973 -3.080 1.00 0.00 O ATOM 1053 CB GLU A 65 97.909 9.069 -3.719 1.00 0.00 C ATOM 1054 CG GLU A 65 96.412 8.903 -3.989 1.00 0.00 C ATOM 1055 CD GLU A 65 95.629 9.935 -3.178 1.00 0.00 C ATOM 1056 OE1 GLU A 65 94.420 9.987 -3.330 1.00 0.00 O ATOM 1057 OE2 GLU A 65 96.253 10.659 -2.418 1.00 0.00 O ATOM 0 H GLU A 65 97.292 6.688 -4.762 1.00 0.00 H new ATOM 0 HA GLU A 65 99.094 8.976 -5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 65 98.149 8.717 -2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 65 98.182 10.123 -3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 65 96.207 9.029 -5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 65 96.093 7.896 -3.720 1.00 0.00 H new ATOM 1064 N CYS A 66 100.237 6.421 -4.632 1.00 0.00 N ATOM 1065 CA CYS A 66 101.340 5.632 -4.055 1.00 0.00 C ATOM 1066 C CYS A 66 102.319 5.285 -5.164 1.00 0.00 C ATOM 1067 O CYS A 66 102.139 4.345 -5.913 1.00 0.00 O ATOM 1068 CB CYS A 66 100.784 4.355 -3.450 1.00 0.00 C ATOM 1069 SG CYS A 66 100.322 4.648 -1.725 1.00 0.00 S ATOM 0 H CYS A 66 99.817 6.021 -5.471 1.00 0.00 H new ATOM 0 HA CYS A 66 101.845 6.206 -3.278 1.00 0.00 H new ATOM 0 HB2 CYS A 66 99.915 4.021 -4.017 1.00 0.00 H new ATOM 0 HB3 CYS A 66 101.528 3.560 -3.507 1.00 0.00 H new ATOM 0 HG CYS A 66 99.845 3.553 -1.212 1.00 0.00 H new ATOM 1075 N SER A 67 103.345 6.049 -5.264 1.00 0.00 N ATOM 1076 CA SER A 67 104.376 5.815 -6.315 1.00 0.00 C ATOM 1077 C SER A 67 105.213 4.586 -5.951 1.00 0.00 C ATOM 1078 O SER A 67 104.898 3.857 -5.031 1.00 0.00 O ATOM 1079 CB SER A 67 105.286 7.039 -6.416 1.00 0.00 C ATOM 1080 OG SER A 67 106.215 7.024 -5.341 1.00 0.00 O ATOM 0 H SER A 67 103.529 6.847 -4.655 1.00 0.00 H new ATOM 0 HA SER A 67 103.884 5.646 -7.273 1.00 0.00 H new ATOM 0 HB2 SER A 67 105.815 7.035 -7.369 1.00 0.00 H new ATOM 0 HB3 SER A 67 104.691 7.952 -6.385 1.00 0.00 H new ATOM 0 HG SER A 67 106.801 7.807 -5.404 1.00 0.00 H new ATOM 1086 N GLN A 68 106.275 4.350 -6.671 1.00 0.00 N ATOM 1087 CA GLN A 68 107.134 3.168 -6.375 1.00 0.00 C ATOM 1088 C GLN A 68 107.588 3.210 -4.913 1.00 0.00 C ATOM 1089 O GLN A 68 107.844 2.189 -4.307 1.00 0.00 O ATOM 1090 CB GLN A 68 108.361 3.186 -7.290 1.00 0.00 C ATOM 1091 CG GLN A 68 108.980 4.586 -7.287 1.00 0.00 C ATOM 1092 CD GLN A 68 110.433 4.502 -7.756 1.00 0.00 C ATOM 1093 OE1 GLN A 68 110.866 3.401 -8.308 1.00 0.00 O flip ATOM 1094 NE2 GLN A 68 111.183 5.449 -7.619 1.00 0.00 N flip ATOM 0 H GLN A 68 106.586 4.926 -7.453 1.00 0.00 H new ATOM 0 HA GLN A 68 106.562 2.256 -6.548 1.00 0.00 H new ATOM 0 HB2 GLN A 68 109.092 2.453 -6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 68 108.076 2.905 -8.304 1.00 0.00 H new ATOM 0 HG2 GLN A 68 108.413 5.247 -7.942 1.00 0.00 H new ATOM 0 HG3 GLN A 68 108.934 5.013 -6.285 1.00 0.00 H new ATOM 0 HE21 GLN A 68 110.845 6.309 -7.188 1.00 0.00 H new ATOM 0 HE22 GLN A 68 112.150 5.383 -7.935 1.00 0.00 H new ATOM 1103 N ASP A 69 107.695 4.380 -4.344 1.00 0.00 N ATOM 1104 CA ASP A 69 108.136 4.474 -2.924 1.00 0.00 C ATOM 1105 C ASP A 69 107.076 3.853 -2.017 1.00 0.00 C ATOM 1106 O ASP A 69 107.337 2.918 -1.286 1.00 0.00 O ATOM 1107 CB ASP A 69 108.336 5.943 -2.547 1.00 0.00 C ATOM 1108 CG ASP A 69 109.199 6.033 -1.287 1.00 0.00 C ATOM 1109 OD1 ASP A 69 108.657 5.863 -0.206 1.00 0.00 O ATOM 1110 OD2 ASP A 69 110.388 6.271 -1.421 1.00 0.00 O ATOM 0 H ASP A 69 107.497 5.271 -4.799 1.00 0.00 H new ATOM 0 HA ASP A 69 109.077 3.937 -2.801 1.00 0.00 H new ATOM 0 HB2 ASP A 69 108.814 6.478 -3.367 1.00 0.00 H new ATOM 0 HB3 ASP A 69 107.371 6.420 -2.375 1.00 0.00 H new ATOM 1115 N GLU A 70 105.880 4.363 -2.060 1.00 0.00 N ATOM 1116 CA GLU A 70 104.801 3.797 -1.204 1.00 0.00 C ATOM 1117 C GLU A 70 104.548 2.348 -1.616 1.00 0.00 C ATOM 1118 O GLU A 70 104.399 1.470 -0.788 1.00 0.00 O ATOM 1119 CB GLU A 70 103.520 4.616 -1.385 1.00 0.00 C ATOM 1120 CG GLU A 70 103.763 6.052 -0.919 1.00 0.00 C ATOM 1121 CD GLU A 70 102.424 6.720 -0.599 1.00 0.00 C ATOM 1122 OE1 GLU A 70 101.874 6.424 0.450 1.00 0.00 O ATOM 1123 OE2 GLU A 70 101.974 7.516 -1.406 1.00 0.00 O ATOM 0 H GLU A 70 105.601 5.147 -2.650 1.00 0.00 H new ATOM 0 HA GLU A 70 105.103 3.834 -0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 70 103.216 4.609 -2.432 1.00 0.00 H new ATOM 0 HB3 GLU A 70 102.706 4.170 -0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 70 104.403 6.056 -0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 70 104.285 6.613 -1.694 1.00 0.00 H new ATOM 1130 N SER A 71 104.509 2.092 -2.893 1.00 0.00 N ATOM 1131 CA SER A 71 104.278 0.700 -3.365 1.00 0.00 C ATOM 1132 C SER A 71 105.455 -0.172 -2.933 1.00 0.00 C ATOM 1133 O SER A 71 105.296 -1.333 -2.613 1.00 0.00 O ATOM 1134 CB SER A 71 104.164 0.689 -4.890 1.00 0.00 C ATOM 1135 OG SER A 71 104.170 -0.654 -5.352 1.00 0.00 O ATOM 0 H SER A 71 104.627 2.787 -3.630 1.00 0.00 H new ATOM 0 HA SER A 71 103.355 0.312 -2.934 1.00 0.00 H new ATOM 0 HB2 SER A 71 103.246 1.188 -5.201 1.00 0.00 H new ATOM 0 HB3 SER A 71 104.993 1.241 -5.332 1.00 0.00 H new ATOM 0 HG SER A 71 104.095 -0.664 -6.329 1.00 0.00 H new ATOM 1141 N GLY A 72 106.636 0.382 -2.916 1.00 0.00 N ATOM 1142 CA GLY A 72 107.824 -0.413 -2.496 1.00 0.00 C ATOM 1143 C GLY A 72 107.628 -0.880 -1.055 1.00 0.00 C ATOM 1144 O GLY A 72 107.902 -2.013 -0.715 1.00 0.00 O ATOM 0 H GLY A 72 106.830 1.350 -3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 72 107.954 -1.271 -3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 72 108.728 0.191 -2.576 1.00 0.00 H new ATOM 1148 N ALA A 73 107.150 -0.014 -0.204 1.00 0.00 N ATOM 1149 CA ALA A 73 106.930 -0.407 1.216 1.00 0.00 C ATOM 1150 C ALA A 73 105.914 -1.548 1.268 1.00 0.00 C ATOM 1151 O ALA A 73 106.140 -2.567 1.892 1.00 0.00 O ATOM 1152 CB ALA A 73 106.395 0.791 2.004 1.00 0.00 C ATOM 0 H ALA A 73 106.902 0.949 -0.431 1.00 0.00 H new ATOM 0 HA ALA A 73 107.872 -0.733 1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 73 106.235 0.501 3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 73 107.117 1.606 1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 73 105.451 1.120 1.569 1.00 0.00 H new ATOM 1158 N ALA A 74 104.801 -1.385 0.613 1.00 0.00 N ATOM 1159 CA ALA A 74 103.770 -2.460 0.619 1.00 0.00 C ATOM 1160 C ALA A 74 104.356 -3.725 -0.011 1.00 0.00 C ATOM 1161 O ALA A 74 104.121 -4.826 0.447 1.00 0.00 O ATOM 1162 CB ALA A 74 102.550 -2.007 -0.189 1.00 0.00 C ATOM 0 H ALA A 74 104.559 -0.554 0.073 1.00 0.00 H new ATOM 0 HA ALA A 74 103.467 -2.667 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 74 101.797 -2.795 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 74 102.133 -1.104 0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 74 102.850 -1.800 -1.216 1.00 0.00 H new ATOM 1168 N ALA A 75 105.119 -3.575 -1.061 1.00 0.00 N ATOM 1169 CA ALA A 75 105.722 -4.768 -1.719 1.00 0.00 C ATOM 1170 C ALA A 75 106.695 -5.445 -0.752 1.00 0.00 C ATOM 1171 O ALA A 75 106.726 -6.653 -0.634 1.00 0.00 O ATOM 1172 CB ALA A 75 106.474 -4.330 -2.978 1.00 0.00 C ATOM 0 H ALA A 75 105.350 -2.679 -1.490 1.00 0.00 H new ATOM 0 HA ALA A 75 104.934 -5.470 -1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 75 106.916 -5.202 -3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 75 105.781 -3.847 -3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 75 107.262 -3.628 -2.705 1.00 0.00 H new ATOM 1178 N ILE A 76 107.488 -4.675 -0.058 1.00 0.00 N ATOM 1179 CA ILE A 76 108.455 -5.280 0.901 1.00 0.00 C ATOM 1180 C ILE A 76 107.696 -6.169 1.886 1.00 0.00 C ATOM 1181 O ILE A 76 108.008 -7.332 2.055 1.00 0.00 O ATOM 1182 CB ILE A 76 109.180 -4.170 1.664 1.00 0.00 C ATOM 1183 CG1 ILE A 76 110.224 -3.523 0.751 1.00 0.00 C ATOM 1184 CG2 ILE A 76 109.878 -4.762 2.892 1.00 0.00 C ATOM 1185 CD1 ILE A 76 110.778 -2.263 1.419 1.00 0.00 C ATOM 0 H ILE A 76 107.508 -3.657 -0.113 1.00 0.00 H new ATOM 0 HA ILE A 76 109.186 -5.879 0.357 1.00 0.00 H new ATOM 0 HB ILE A 76 108.457 -3.419 1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 76 111.032 -4.226 0.550 1.00 0.00 H new ATOM 0 HG13 ILE A 76 109.775 -3.270 -0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 76 110.394 -3.970 3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 76 109.137 -5.225 3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 76 110.600 -5.513 2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 76 111.521 -1.803 0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 76 109.966 -1.558 1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 76 111.242 -2.529 2.369 1.00 0.00 H new ATOM 1197 N PHE A 77 106.699 -5.636 2.536 1.00 0.00 N ATOM 1198 CA PHE A 77 105.920 -6.453 3.506 1.00 0.00 C ATOM 1199 C PHE A 77 105.339 -7.672 2.786 1.00 0.00 C ATOM 1200 O PHE A 77 105.189 -8.734 3.362 1.00 0.00 O ATOM 1201 CB PHE A 77 104.782 -5.612 4.088 1.00 0.00 C ATOM 1202 CG PHE A 77 105.354 -4.568 5.016 1.00 0.00 C ATOM 1203 CD1 PHE A 77 105.217 -3.207 4.709 1.00 0.00 C ATOM 1204 CD2 PHE A 77 106.022 -4.957 6.182 1.00 0.00 C ATOM 1205 CE1 PHE A 77 105.748 -2.239 5.570 1.00 0.00 C ATOM 1206 CE2 PHE A 77 106.554 -3.989 7.043 1.00 0.00 C ATOM 1207 CZ PHE A 77 106.416 -2.630 6.736 1.00 0.00 C ATOM 0 H PHE A 77 106.390 -4.669 2.437 1.00 0.00 H new ATOM 0 HA PHE A 77 106.574 -6.782 4.314 1.00 0.00 H new ATOM 0 HB2 PHE A 77 104.222 -5.133 3.285 1.00 0.00 H new ATOM 0 HB3 PHE A 77 104.083 -6.250 4.628 1.00 0.00 H new ATOM 0 HD1 PHE A 77 104.702 -2.905 3.809 1.00 0.00 H new ATOM 0 HD2 PHE A 77 106.128 -6.005 6.419 1.00 0.00 H new ATOM 0 HE1 PHE A 77 105.642 -1.190 5.334 1.00 0.00 H new ATOM 0 HE2 PHE A 77 107.070 -4.290 7.943 1.00 0.00 H new ATOM 0 HZ PHE A 77 106.825 -1.883 7.400 1.00 0.00 H new ATOM 1217 N THR A 78 105.016 -7.532 1.530 1.00 0.00 N ATOM 1218 CA THR A 78 104.451 -8.684 0.774 1.00 0.00 C ATOM 1219 C THR A 78 105.545 -9.733 0.574 1.00 0.00 C ATOM 1220 O THR A 78 105.377 -10.894 0.893 1.00 0.00 O ATOM 1221 CB THR A 78 103.947 -8.199 -0.589 1.00 0.00 C ATOM 1222 OG1 THR A 78 103.519 -6.849 -0.480 1.00 0.00 O ATOM 1223 CG2 THR A 78 102.776 -9.071 -1.048 1.00 0.00 C ATOM 0 H THR A 78 105.119 -6.670 0.995 1.00 0.00 H new ATOM 0 HA THR A 78 103.621 -9.121 1.329 1.00 0.00 H new ATOM 0 HB THR A 78 104.754 -8.269 -1.318 1.00 0.00 H new ATOM 0 HG1 THR A 78 104.289 -6.277 -0.282 1.00 0.00 H new ATOM 0 HG21 THR A 78 102.421 -8.722 -2.018 1.00 0.00 H new ATOM 0 HG22 THR A 78 103.105 -10.107 -1.133 1.00 0.00 H new ATOM 0 HG23 THR A 78 101.967 -9.006 -0.321 1.00 0.00 H new ATOM 1231 N VAL A 79 106.670 -9.330 0.053 1.00 0.00 N ATOM 1232 CA VAL A 79 107.781 -10.295 -0.164 1.00 0.00 C ATOM 1233 C VAL A 79 108.136 -10.957 1.168 1.00 0.00 C ATOM 1234 O VAL A 79 108.632 -12.065 1.210 1.00 0.00 O ATOM 1235 CB VAL A 79 109.001 -9.550 -0.706 1.00 0.00 C ATOM 1236 CG1 VAL A 79 110.097 -10.556 -1.060 1.00 0.00 C ATOM 1237 CG2 VAL A 79 108.604 -8.765 -1.960 1.00 0.00 C ATOM 0 H VAL A 79 106.868 -8.371 -0.232 1.00 0.00 H new ATOM 0 HA VAL A 79 107.474 -11.056 -0.881 1.00 0.00 H new ATOM 0 HB VAL A 79 109.372 -8.860 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 79 110.967 -10.025 -1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 79 110.380 -11.115 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 79 109.727 -11.246 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 79 109.473 -8.234 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 79 108.233 -9.454 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 79 107.823 -8.048 -1.708 1.00 0.00 H new ATOM 1247 N GLN A 80 107.883 -10.284 2.257 1.00 0.00 N ATOM 1248 CA GLN A 80 108.205 -10.874 3.589 1.00 0.00 C ATOM 1249 C GLN A 80 107.247 -12.031 3.874 1.00 0.00 C ATOM 1250 O GLN A 80 107.664 -13.144 4.130 1.00 0.00 O ATOM 1251 CB GLN A 80 108.051 -9.804 4.672 1.00 0.00 C ATOM 1252 CG GLN A 80 109.264 -8.872 4.650 1.00 0.00 C ATOM 1253 CD GLN A 80 109.298 -8.047 5.937 1.00 0.00 C ATOM 1254 OE1 GLN A 80 108.933 -6.890 5.940 1.00 0.00 O ATOM 1255 NE2 GLN A 80 109.723 -8.601 7.041 1.00 0.00 N ATOM 0 H GLN A 80 107.468 -9.353 2.283 1.00 0.00 H new ATOM 0 HA GLN A 80 109.231 -11.242 3.587 1.00 0.00 H new ATOM 0 HB2 GLN A 80 107.138 -9.233 4.505 1.00 0.00 H new ATOM 0 HB3 GLN A 80 107.959 -10.274 5.651 1.00 0.00 H new ATOM 0 HG2 GLN A 80 110.181 -9.454 4.554 1.00 0.00 H new ATOM 0 HG3 GLN A 80 109.213 -8.212 3.784 1.00 0.00 H new ATOM 0 HE21 GLN A 80 110.030 -9.574 7.038 1.00 0.00 H new ATOM 0 HE22 GLN A 80 109.748 -8.061 7.906 1.00 0.00 H new ATOM 1264 N LEU A 81 105.965 -11.785 3.834 1.00 0.00 N ATOM 1265 CA LEU A 81 104.996 -12.884 4.104 1.00 0.00 C ATOM 1266 C LEU A 81 105.299 -14.058 3.169 1.00 0.00 C ATOM 1267 O LEU A 81 105.074 -15.204 3.503 1.00 0.00 O ATOM 1268 CB LEU A 81 103.562 -12.376 3.882 1.00 0.00 C ATOM 1269 CG LEU A 81 103.122 -12.628 2.435 1.00 0.00 C ATOM 1270 CD1 LEU A 81 102.645 -14.080 2.276 1.00 0.00 C ATOM 1271 CD2 LEU A 81 101.977 -11.673 2.084 1.00 0.00 C ATOM 0 H LEU A 81 105.550 -10.877 3.627 1.00 0.00 H new ATOM 0 HA LEU A 81 105.089 -13.217 5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 81 102.881 -12.879 4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 81 103.509 -11.310 4.104 1.00 0.00 H new ATOM 0 HG LEU A 81 103.966 -12.456 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 81 102.334 -14.250 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 81 103.459 -14.760 2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 81 101.803 -14.261 2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 81 101.660 -11.848 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 81 101.138 -11.848 2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 81 102.317 -10.643 2.189 1.00 0.00 H new ATOM 1283 N ASP A 82 105.819 -13.782 2.004 1.00 0.00 N ATOM 1284 CA ASP A 82 106.146 -14.886 1.060 1.00 0.00 C ATOM 1285 C ASP A 82 107.318 -15.686 1.625 1.00 0.00 C ATOM 1286 O ASP A 82 107.213 -16.871 1.867 1.00 0.00 O ATOM 1287 CB ASP A 82 106.527 -14.305 -0.303 1.00 0.00 C ATOM 1288 CG ASP A 82 105.258 -13.944 -1.078 1.00 0.00 C ATOM 1289 OD1 ASP A 82 104.182 -14.228 -0.578 1.00 0.00 O ATOM 1290 OD2 ASP A 82 105.384 -13.390 -2.156 1.00 0.00 O ATOM 0 H ASP A 82 106.031 -12.843 1.667 1.00 0.00 H new ATOM 0 HA ASP A 82 105.280 -15.536 0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 82 107.149 -13.420 -0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 82 107.116 -15.028 -0.866 1.00 0.00 H new ATOM 1295 N ASP A 83 108.434 -15.047 1.852 1.00 0.00 N ATOM 1296 CA ASP A 83 109.597 -15.781 2.416 1.00 0.00 C ATOM 1297 C ASP A 83 109.112 -16.625 3.592 1.00 0.00 C ATOM 1298 O ASP A 83 109.649 -17.674 3.884 1.00 0.00 O ATOM 1299 CB ASP A 83 110.653 -14.783 2.900 1.00 0.00 C ATOM 1300 CG ASP A 83 111.932 -15.534 3.275 1.00 0.00 C ATOM 1301 OD1 ASP A 83 112.979 -14.907 3.292 1.00 0.00 O ATOM 1302 OD2 ASP A 83 111.843 -16.722 3.537 1.00 0.00 O ATOM 0 H ASP A 83 108.588 -14.055 1.672 1.00 0.00 H new ATOM 0 HA ASP A 83 110.040 -16.421 1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 83 110.863 -14.053 2.119 1.00 0.00 H new ATOM 0 HB3 ASP A 83 110.278 -14.230 3.761 1.00 0.00 H new ATOM 1307 N TYR A 84 108.085 -16.174 4.261 1.00 0.00 N ATOM 1308 CA TYR A 84 107.547 -16.949 5.410 1.00 0.00 C ATOM 1309 C TYR A 84 106.766 -18.147 4.871 1.00 0.00 C ATOM 1310 O TYR A 84 106.752 -19.209 5.464 1.00 0.00 O ATOM 1311 CB TYR A 84 106.619 -16.058 6.240 1.00 0.00 C ATOM 1312 CG TYR A 84 105.812 -16.912 7.186 1.00 0.00 C ATOM 1313 CD1 TYR A 84 104.512 -17.303 6.843 1.00 0.00 C ATOM 1314 CD2 TYR A 84 106.363 -17.314 8.409 1.00 0.00 C ATOM 1315 CE1 TYR A 84 103.763 -18.094 7.721 1.00 0.00 C ATOM 1316 CE2 TYR A 84 105.614 -18.106 9.289 1.00 0.00 C ATOM 1317 CZ TYR A 84 104.314 -18.496 8.944 1.00 0.00 C ATOM 1318 OH TYR A 84 103.575 -19.276 9.811 1.00 0.00 O ATOM 0 H TYR A 84 107.597 -15.301 4.059 1.00 0.00 H new ATOM 0 HA TYR A 84 108.365 -17.295 6.042 1.00 0.00 H new ATOM 0 HB2 TYR A 84 107.204 -15.329 6.801 1.00 0.00 H new ATOM 0 HB3 TYR A 84 105.954 -15.496 5.584 1.00 0.00 H new ATOM 0 HD1 TYR A 84 104.087 -16.994 5.900 1.00 0.00 H new ATOM 0 HD2 TYR A 84 107.366 -17.013 8.674 1.00 0.00 H new ATOM 0 HE1 TYR A 84 102.760 -18.394 7.456 1.00 0.00 H new ATOM 0 HE2 TYR A 84 106.039 -18.415 10.233 1.00 0.00 H new ATOM 0 HH TYR A 84 104.106 -19.467 10.613 1.00 0.00 H new ATOM 1328 N LEU A 85 106.123 -17.987 3.746 1.00 0.00 N ATOM 1329 CA LEU A 85 105.350 -19.115 3.162 1.00 0.00 C ATOM 1330 C LEU A 85 106.084 -19.650 1.933 1.00 0.00 C ATOM 1331 O LEU A 85 105.492 -20.220 1.039 1.00 0.00 O ATOM 1332 CB LEU A 85 103.956 -18.632 2.759 1.00 0.00 C ATOM 1333 CG LEU A 85 102.987 -19.817 2.745 1.00 0.00 C ATOM 1334 CD1 LEU A 85 102.416 -20.027 4.149 1.00 0.00 C ATOM 1335 CD2 LEU A 85 101.842 -19.528 1.770 1.00 0.00 C ATOM 0 H LEU A 85 106.101 -17.121 3.207 1.00 0.00 H new ATOM 0 HA LEU A 85 105.253 -19.909 3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 85 103.607 -17.872 3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 85 103.992 -18.167 1.774 1.00 0.00 H new ATOM 0 HG LEU A 85 103.518 -20.715 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 85 101.726 -20.871 4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 85 103.229 -20.231 4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 85 101.886 -19.128 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 85 101.152 -20.371 1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 85 101.312 -18.629 2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 85 102.246 -19.377 0.769 1.00 0.00 H new ATOM 1347 N ASN A 86 107.374 -19.468 1.890 1.00 0.00 N ATOM 1348 CA ASN A 86 108.164 -19.960 0.726 1.00 0.00 C ATOM 1349 C ASN A 86 107.373 -19.730 -0.560 1.00 0.00 C ATOM 1350 O ASN A 86 107.442 -20.505 -1.493 1.00 0.00 O ATOM 1351 CB ASN A 86 108.444 -21.455 0.897 1.00 0.00 C ATOM 1352 CG ASN A 86 109.723 -21.646 1.713 1.00 0.00 C ATOM 1353 OD1 ASN A 86 109.858 -21.102 2.791 1.00 0.00 O ATOM 1354 ND2 ASN A 86 110.676 -22.403 1.243 1.00 0.00 N ATOM 0 H ASN A 86 107.918 -18.998 2.614 1.00 0.00 H new ATOM 0 HA ASN A 86 109.108 -19.419 0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 86 107.605 -21.938 1.398 1.00 0.00 H new ATOM 0 HB3 ASN A 86 108.548 -21.930 -0.079 1.00 0.00 H new ATOM 0 HD21 ASN A 86 111.533 -22.537 1.780 1.00 0.00 H new ATOM 0 HD22 ASN A 86 110.565 -22.861 0.338 1.00 0.00 H new ATOM 1361 N GLY A 87 106.618 -18.669 -0.615 1.00 0.00 N ATOM 1362 CA GLY A 87 105.818 -18.386 -1.841 1.00 0.00 C ATOM 1363 C GLY A 87 104.959 -19.605 -2.180 1.00 0.00 C ATOM 1364 O GLY A 87 105.334 -20.436 -2.983 1.00 0.00 O ATOM 0 H GLY A 87 106.520 -17.985 0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 87 105.184 -17.514 -1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 87 106.480 -18.151 -2.674 1.00 0.00 H new ATOM 1368 N ARG A 88 103.809 -19.718 -1.574 1.00 0.00 N ATOM 1369 CA ARG A 88 102.927 -20.882 -1.859 1.00 0.00 C ATOM 1370 C ARG A 88 101.472 -20.414 -1.919 1.00 0.00 C ATOM 1371 O ARG A 88 100.582 -21.050 -1.391 1.00 0.00 O ATOM 1372 CB ARG A 88 103.082 -21.926 -0.750 1.00 0.00 C ATOM 1373 CG ARG A 88 104.306 -22.799 -1.037 1.00 0.00 C ATOM 1374 CD ARG A 88 104.814 -23.409 0.271 1.00 0.00 C ATOM 1375 NE ARG A 88 103.773 -24.313 0.835 1.00 0.00 N ATOM 1376 CZ ARG A 88 103.656 -25.534 0.389 1.00 0.00 C ATOM 1377 NH1 ARG A 88 102.744 -26.326 0.882 1.00 0.00 N ATOM 1378 NH2 ARG A 88 104.452 -25.962 -0.553 1.00 0.00 N ATOM 0 H ARG A 88 103.443 -19.053 -0.893 1.00 0.00 H new ATOM 0 HA ARG A 88 103.207 -21.325 -2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 88 103.193 -21.432 0.216 1.00 0.00 H new ATOM 0 HB3 ARG A 88 102.187 -22.545 -0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 88 104.046 -23.588 -1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 88 105.091 -22.202 -1.502 1.00 0.00 H new ATOM 0 HD2 ARG A 88 105.735 -23.964 0.092 1.00 0.00 H new ATOM 0 HD3 ARG A 88 105.051 -22.620 0.985 1.00 0.00 H new ATOM 0 HE ARG A 88 103.151 -23.977 1.570 1.00 0.00 H new ATOM 0 HH11 ARG A 88 102.121 -25.991 1.617 1.00 0.00 H new ATOM 0 HH12 ARG A 88 102.654 -27.280 0.532 1.00 0.00 H new ATOM 0 HH21 ARG A 88 105.164 -25.342 -0.939 1.00 0.00 H new ATOM 0 HH22 ARG A 88 104.362 -26.916 -0.903 1.00 0.00 H new ATOM 1392 N ALA A 89 101.225 -19.304 -2.559 1.00 0.00 N ATOM 1393 CA ALA A 89 99.828 -18.793 -2.652 1.00 0.00 C ATOM 1394 C ALA A 89 99.663 -17.998 -3.948 1.00 0.00 C ATOM 1395 O ALA A 89 100.621 -17.710 -4.637 1.00 0.00 O ATOM 1396 CB ALA A 89 99.537 -17.886 -1.455 1.00 0.00 C ATOM 0 H ALA A 89 101.930 -18.729 -3.021 1.00 0.00 H new ATOM 0 HA ALA A 89 99.132 -19.632 -2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 89 98.515 -17.512 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.656 -18.453 -0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 89 100.232 -17.046 -1.457 1.00 0.00 H new ATOM 1402 N VAL A 90 98.455 -17.635 -4.283 1.00 0.00 N ATOM 1403 CA VAL A 90 98.233 -16.854 -5.532 1.00 0.00 C ATOM 1404 C VAL A 90 98.291 -15.360 -5.210 1.00 0.00 C ATOM 1405 O VAL A 90 97.297 -14.752 -4.862 1.00 0.00 O ATOM 1406 CB VAL A 90 96.863 -17.199 -6.114 1.00 0.00 C ATOM 1407 CG1 VAL A 90 96.524 -16.224 -7.244 1.00 0.00 C ATOM 1408 CG2 VAL A 90 96.890 -18.627 -6.666 1.00 0.00 C ATOM 0 H VAL A 90 97.613 -17.845 -3.746 1.00 0.00 H new ATOM 0 HA VAL A 90 99.006 -17.101 -6.260 1.00 0.00 H new ATOM 0 HB VAL A 90 96.108 -17.123 -5.332 1.00 0.00 H new ATOM 0 HG11 VAL A 90 95.546 -16.472 -7.658 1.00 0.00 H new ATOM 0 HG12 VAL A 90 96.505 -15.207 -6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 90 97.279 -16.298 -8.027 1.00 0.00 H new ATOM 0 HG21 VAL A 90 95.913 -18.875 -7.082 1.00 0.00 H new ATOM 0 HG22 VAL A 90 97.646 -18.701 -7.447 1.00 0.00 H new ATOM 0 HG23 VAL A 90 97.130 -19.323 -5.862 1.00 0.00 H new ATOM 1418 N GLN A 91 99.446 -14.763 -5.322 1.00 0.00 N ATOM 1419 CA GLN A 91 99.566 -13.311 -5.017 1.00 0.00 C ATOM 1420 C GLN A 91 99.419 -12.504 -6.309 1.00 0.00 C ATOM 1421 O GLN A 91 100.187 -12.657 -7.236 1.00 0.00 O ATOM 1422 CB GLN A 91 100.936 -13.032 -4.393 1.00 0.00 C ATOM 1423 CG GLN A 91 101.405 -14.266 -3.618 1.00 0.00 C ATOM 1424 CD GLN A 91 102.111 -15.229 -4.574 1.00 0.00 C ATOM 1425 OE1 GLN A 91 101.859 -15.219 -5.763 1.00 0.00 O ATOM 1426 NE2 GLN A 91 102.992 -16.068 -4.102 1.00 0.00 N ATOM 0 H GLN A 91 100.311 -15.219 -5.612 1.00 0.00 H new ATOM 0 HA GLN A 91 98.782 -13.021 -4.317 1.00 0.00 H new ATOM 0 HB2 GLN A 91 101.658 -12.782 -5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 91 100.875 -12.172 -3.726 1.00 0.00 H new ATOM 0 HG2 GLN A 91 102.082 -13.970 -2.817 1.00 0.00 H new ATOM 0 HG3 GLN A 91 100.554 -14.760 -3.150 1.00 0.00 H new ATOM 0 HE21 GLN A 91 103.204 -16.077 -3.104 1.00 0.00 H new ATOM 0 HE22 GLN A 91 103.468 -16.715 -4.731 1.00 0.00 H new ATOM 1435 N HIS A 92 98.439 -11.642 -6.373 1.00 0.00 N ATOM 1436 CA HIS A 92 98.249 -10.823 -7.607 1.00 0.00 C ATOM 1437 C HIS A 92 98.162 -9.343 -7.226 1.00 0.00 C ATOM 1438 O HIS A 92 97.475 -8.969 -6.298 1.00 0.00 O ATOM 1439 CB HIS A 92 96.960 -11.249 -8.313 1.00 0.00 C ATOM 1440 CG HIS A 92 95.844 -11.352 -7.312 1.00 0.00 C ATOM 1441 ND1 HIS A 92 94.718 -10.543 -7.375 1.00 0.00 N ATOM 1442 CD2 HIS A 92 95.662 -12.166 -6.219 1.00 0.00 C ATOM 1443 CE1 HIS A 92 93.915 -10.884 -6.351 1.00 0.00 C ATOM 1444 NE2 HIS A 92 94.446 -11.865 -5.618 1.00 0.00 N ATOM 0 H HIS A 92 97.764 -11.470 -5.628 1.00 0.00 H new ATOM 0 HA HIS A 92 99.094 -10.976 -8.279 1.00 0.00 H new ATOM 0 HB2 HIS A 92 96.702 -10.526 -9.087 1.00 0.00 H new ATOM 0 HB3 HIS A 92 97.106 -12.208 -8.809 1.00 0.00 H new ATOM 0 HD2 HIS A 92 96.356 -12.921 -5.881 1.00 0.00 H new ATOM 0 HE1 HIS A 92 92.960 -10.422 -6.147 1.00 0.00 H new ATOM 0 HE2 HIS A 92 94.043 -12.302 -4.789 1.00 0.00 H new ATOM 1452 N ARG A 93 98.861 -8.499 -7.935 1.00 0.00 N ATOM 1453 CA ARG A 93 98.825 -7.045 -7.613 1.00 0.00 C ATOM 1454 C ARG A 93 97.706 -6.368 -8.407 1.00 0.00 C ATOM 1455 O ARG A 93 97.717 -6.345 -9.622 1.00 0.00 O ATOM 1456 CB ARG A 93 100.167 -6.409 -7.984 1.00 0.00 C ATOM 1457 CG ARG A 93 100.314 -6.378 -9.508 1.00 0.00 C ATOM 1458 CD ARG A 93 101.799 -6.370 -9.880 1.00 0.00 C ATOM 1459 NE ARG A 93 102.298 -7.771 -9.966 1.00 0.00 N ATOM 1460 CZ ARG A 93 101.889 -8.551 -10.929 1.00 0.00 C ATOM 1461 NH1 ARG A 93 102.324 -9.779 -11.004 1.00 0.00 N ATOM 1462 NH2 ARG A 93 101.045 -8.102 -11.819 1.00 0.00 N ATOM 0 H ARG A 93 99.456 -8.754 -8.724 1.00 0.00 H new ATOM 0 HA ARG A 93 98.640 -6.916 -6.547 1.00 0.00 H new ATOM 0 HB2 ARG A 93 100.226 -5.398 -7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 93 100.985 -6.976 -7.541 1.00 0.00 H new ATOM 0 HG2 ARG A 93 99.823 -7.246 -9.949 1.00 0.00 H new ATOM 0 HG3 ARG A 93 99.822 -5.494 -9.913 1.00 0.00 H new ATOM 0 HD2 ARG A 93 101.943 -5.862 -10.834 1.00 0.00 H new ATOM 0 HD3 ARG A 93 102.368 -5.815 -9.134 1.00 0.00 H new ATOM 0 HE ARG A 93 102.959 -8.121 -9.272 1.00 0.00 H new ATOM 0 HH11 ARG A 93 102.984 -10.130 -10.310 1.00 0.00 H new ATOM 0 HH12 ARG A 93 102.004 -10.388 -11.757 1.00 0.00 H new ATOM 0 HH21 ARG A 93 100.706 -7.142 -11.761 1.00 0.00 H new ATOM 0 HH22 ARG A 93 100.725 -8.712 -12.572 1.00 0.00 H new ATOM 1476 N GLU A 94 96.739 -5.813 -7.728 1.00 0.00 N ATOM 1477 CA GLU A 94 95.619 -5.132 -8.437 1.00 0.00 C ATOM 1478 C GLU A 94 95.746 -3.619 -8.250 1.00 0.00 C ATOM 1479 O GLU A 94 96.424 -3.150 -7.359 1.00 0.00 O ATOM 1480 CB GLU A 94 94.284 -5.607 -7.855 1.00 0.00 C ATOM 1481 CG GLU A 94 94.291 -7.133 -7.739 1.00 0.00 C ATOM 1482 CD GLU A 94 92.852 -7.650 -7.718 1.00 0.00 C ATOM 1483 OE1 GLU A 94 92.432 -8.136 -6.681 1.00 0.00 O ATOM 1484 OE2 GLU A 94 92.193 -7.550 -8.741 1.00 0.00 O ATOM 0 H GLU A 94 96.677 -5.802 -6.710 1.00 0.00 H new ATOM 0 HA GLU A 94 95.659 -5.373 -9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 94 94.122 -5.158 -6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 94 93.462 -5.284 -8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 94 94.833 -7.570 -8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 94 94.811 -7.437 -6.831 1.00 0.00 H new ATOM 1491 N VAL A 95 95.101 -2.850 -9.085 1.00 0.00 N ATOM 1492 CA VAL A 95 95.187 -1.370 -8.957 1.00 0.00 C ATOM 1493 C VAL A 95 93.783 -0.767 -9.037 1.00 0.00 C ATOM 1494 O VAL A 95 92.867 -1.367 -9.562 1.00 0.00 O ATOM 1495 CB VAL A 95 96.049 -0.809 -10.090 1.00 0.00 C ATOM 1496 CG1 VAL A 95 96.537 0.591 -9.714 1.00 0.00 C ATOM 1497 CG2 VAL A 95 97.251 -1.726 -10.316 1.00 0.00 C ATOM 0 H VAL A 95 94.517 -3.185 -9.851 1.00 0.00 H new ATOM 0 HA VAL A 95 95.637 -1.115 -7.998 1.00 0.00 H new ATOM 0 HB VAL A 95 95.458 -0.753 -11.004 1.00 0.00 H new ATOM 0 HG11 VAL A 95 97.151 0.991 -10.521 1.00 0.00 H new ATOM 0 HG12 VAL A 95 95.679 1.244 -9.553 1.00 0.00 H new ATOM 0 HG13 VAL A 95 97.129 0.537 -8.800 1.00 0.00 H new ATOM 0 HG21 VAL A 95 97.866 -1.328 -11.123 1.00 0.00 H new ATOM 0 HG22 VAL A 95 97.843 -1.782 -9.402 1.00 0.00 H new ATOM 0 HG23 VAL A 95 96.902 -2.723 -10.584 1.00 0.00 H new ATOM 1507 N GLN A 96 93.608 0.419 -8.520 1.00 0.00 N ATOM 1508 CA GLN A 96 92.263 1.061 -8.567 1.00 0.00 C ATOM 1509 C GLN A 96 91.849 1.269 -10.024 1.00 0.00 C ATOM 1510 O GLN A 96 92.662 1.566 -10.875 1.00 0.00 O ATOM 1511 CB GLN A 96 92.320 2.412 -7.851 1.00 0.00 C ATOM 1512 CG GLN A 96 93.138 3.404 -8.687 1.00 0.00 C ATOM 1513 CD GLN A 96 92.211 4.163 -9.641 1.00 0.00 C ATOM 1514 OE1 GLN A 96 90.999 3.722 -9.842 1.00 0.00 O flip ATOM 1515 NE2 GLN A 96 92.595 5.166 -10.206 1.00 0.00 N flip ATOM 0 H GLN A 96 94.337 0.971 -8.068 1.00 0.00 H new ATOM 0 HA GLN A 96 91.534 0.419 -8.072 1.00 0.00 H new ATOM 0 HB2 GLN A 96 91.312 2.796 -7.697 1.00 0.00 H new ATOM 0 HB3 GLN A 96 92.770 2.294 -6.865 1.00 0.00 H new ATOM 0 HG2 GLN A 96 93.656 4.106 -8.033 1.00 0.00 H new ATOM 0 HG3 GLN A 96 93.903 2.873 -9.254 1.00 0.00 H new ATOM 0 HE21 GLN A 96 93.542 5.509 -10.048 1.00 0.00 H new ATOM 0 HE22 GLN A 96 91.970 5.666 -10.839 1.00 0.00 H new ATOM 1524 N GLY A 97 90.586 1.115 -10.319 1.00 0.00 N ATOM 1525 CA GLY A 97 90.120 1.304 -11.722 1.00 0.00 C ATOM 1526 C GLY A 97 90.557 0.109 -12.570 1.00 0.00 C ATOM 1527 O GLY A 97 90.413 0.105 -13.776 1.00 0.00 O ATOM 0 H GLY A 97 89.858 0.867 -9.649 1.00 0.00 H new ATOM 0 HA2 GLY A 97 89.035 1.403 -11.746 1.00 0.00 H new ATOM 0 HA3 GLY A 97 90.533 2.225 -12.133 1.00 0.00 H new ATOM 1531 N PHE A 98 91.093 -0.906 -11.947 1.00 0.00 N ATOM 1532 CA PHE A 98 91.540 -2.102 -12.716 1.00 0.00 C ATOM 1533 C PHE A 98 91.447 -3.341 -11.824 1.00 0.00 C ATOM 1534 O PHE A 98 92.103 -4.337 -12.058 1.00 0.00 O ATOM 1535 CB PHE A 98 92.989 -1.903 -13.168 1.00 0.00 C ATOM 1536 CG PHE A 98 93.241 -2.702 -14.425 1.00 0.00 C ATOM 1537 CD1 PHE A 98 93.862 -3.953 -14.347 1.00 0.00 C ATOM 1538 CD2 PHE A 98 92.853 -2.190 -15.668 1.00 0.00 C ATOM 1539 CE1 PHE A 98 94.095 -4.694 -15.511 1.00 0.00 C ATOM 1540 CE2 PHE A 98 93.086 -2.929 -16.834 1.00 0.00 C ATOM 1541 CZ PHE A 98 93.708 -4.182 -16.755 1.00 0.00 C ATOM 0 H PHE A 98 91.240 -0.958 -10.939 1.00 0.00 H new ATOM 0 HA PHE A 98 90.903 -2.235 -13.590 1.00 0.00 H new ATOM 0 HB2 PHE A 98 93.181 -0.846 -13.352 1.00 0.00 H new ATOM 0 HB3 PHE A 98 93.673 -2.219 -12.381 1.00 0.00 H new ATOM 0 HD1 PHE A 98 94.162 -4.347 -13.387 1.00 0.00 H new ATOM 0 HD2 PHE A 98 92.373 -1.224 -15.728 1.00 0.00 H new ATOM 0 HE1 PHE A 98 94.573 -5.660 -15.450 1.00 0.00 H new ATOM 0 HE2 PHE A 98 92.787 -2.534 -17.793 1.00 0.00 H new ATOM 0 HZ PHE A 98 93.889 -4.753 -17.654 1.00 0.00 H new ATOM 1551 N GLU A 99 90.639 -3.286 -10.801 1.00 0.00 N ATOM 1552 CA GLU A 99 90.504 -4.460 -9.893 1.00 0.00 C ATOM 1553 C GLU A 99 90.211 -5.715 -10.718 1.00 0.00 C ATOM 1554 O GLU A 99 89.964 -5.643 -11.906 1.00 0.00 O ATOM 1555 CB GLU A 99 89.356 -4.217 -8.911 1.00 0.00 C ATOM 1556 CG GLU A 99 89.694 -3.020 -8.019 1.00 0.00 C ATOM 1557 CD GLU A 99 88.407 -2.451 -7.418 1.00 0.00 C ATOM 1558 OE1 GLU A 99 88.172 -2.680 -6.244 1.00 0.00 O ATOM 1559 OE2 GLU A 99 87.679 -1.794 -8.144 1.00 0.00 O ATOM 0 H GLU A 99 90.066 -2.479 -10.555 1.00 0.00 H new ATOM 0 HA GLU A 99 91.433 -4.598 -9.340 1.00 0.00 H new ATOM 0 HB2 GLU A 99 88.431 -4.029 -9.456 1.00 0.00 H new ATOM 0 HB3 GLU A 99 89.191 -5.105 -8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 99 90.375 -3.326 -7.224 1.00 0.00 H new ATOM 0 HG3 GLU A 99 90.206 -2.253 -8.600 1.00 0.00 H new ATOM 1566 N SER A 100 90.237 -6.863 -10.099 1.00 0.00 N ATOM 1567 CA SER A 100 89.961 -8.121 -10.847 1.00 0.00 C ATOM 1568 C SER A 100 88.525 -8.571 -10.576 1.00 0.00 C ATOM 1569 O SER A 100 87.876 -8.094 -9.666 1.00 0.00 O ATOM 1570 CB SER A 100 90.930 -9.211 -10.387 1.00 0.00 C ATOM 1571 OG SER A 100 90.800 -9.392 -8.985 1.00 0.00 O ATOM 0 H SER A 100 90.438 -6.984 -9.106 1.00 0.00 H new ATOM 0 HA SER A 100 90.092 -7.944 -11.915 1.00 0.00 H new ATOM 0 HB2 SER A 100 90.718 -10.145 -10.907 1.00 0.00 H new ATOM 0 HB3 SER A 100 91.954 -8.932 -10.636 1.00 0.00 H new ATOM 0 HG SER A 100 90.879 -8.525 -8.535 1.00 0.00 H new ATOM 1577 N ALA A 101 88.022 -9.484 -11.360 1.00 0.00 N ATOM 1578 CA ALA A 101 86.628 -9.963 -11.145 1.00 0.00 C ATOM 1579 C ALA A 101 86.516 -10.602 -9.760 1.00 0.00 C ATOM 1580 O ALA A 101 85.491 -10.525 -9.112 1.00 0.00 O ATOM 1581 CB ALA A 101 86.276 -11.000 -12.214 1.00 0.00 C ATOM 0 H ALA A 101 88.516 -9.919 -12.140 1.00 0.00 H new ATOM 0 HA ALA A 101 85.940 -9.121 -11.213 1.00 0.00 H new ATOM 0 HB1 ALA A 101 85.256 -11.352 -12.058 1.00 0.00 H new ATOM 0 HB2 ALA A 101 86.356 -10.546 -13.202 1.00 0.00 H new ATOM 0 HB3 ALA A 101 86.965 -11.842 -12.145 1.00 0.00 H new ATOM 1587 N THR A 102 87.563 -11.230 -9.298 1.00 0.00 N ATOM 1588 CA THR A 102 87.514 -11.870 -7.954 1.00 0.00 C ATOM 1589 C THR A 102 87.221 -10.809 -6.895 1.00 0.00 C ATOM 1590 O THR A 102 86.433 -11.015 -5.995 1.00 0.00 O ATOM 1591 CB THR A 102 88.860 -12.535 -7.656 1.00 0.00 C ATOM 1592 OG1 THR A 102 89.044 -13.641 -8.527 1.00 0.00 O ATOM 1593 CG2 THR A 102 88.882 -13.017 -6.205 1.00 0.00 C ATOM 0 H THR A 102 88.449 -11.327 -9.793 1.00 0.00 H new ATOM 0 HA THR A 102 86.727 -12.624 -7.938 1.00 0.00 H new ATOM 0 HB THR A 102 89.663 -11.814 -7.810 1.00 0.00 H new ATOM 0 HG1 THR A 102 89.906 -14.066 -8.338 1.00 0.00 H new ATOM 0 HG21 THR A 102 89.841 -13.490 -5.993 1.00 0.00 H new ATOM 0 HG22 THR A 102 88.742 -12.167 -5.537 1.00 0.00 H new ATOM 0 HG23 THR A 102 88.079 -13.738 -6.049 1.00 0.00 H new ATOM 1601 N PHE A 103 87.850 -9.672 -6.997 1.00 0.00 N ATOM 1602 CA PHE A 103 87.609 -8.594 -5.998 1.00 0.00 C ATOM 1603 C PHE A 103 86.167 -8.097 -6.130 1.00 0.00 C ATOM 1604 O PHE A 103 85.421 -8.063 -5.170 1.00 0.00 O ATOM 1605 CB PHE A 103 88.579 -7.435 -6.255 1.00 0.00 C ATOM 1606 CG PHE A 103 88.982 -6.808 -4.939 1.00 0.00 C ATOM 1607 CD1 PHE A 103 89.636 -7.576 -3.968 1.00 0.00 C ATOM 1608 CD2 PHE A 103 88.701 -5.459 -4.693 1.00 0.00 C ATOM 1609 CE1 PHE A 103 90.009 -6.993 -2.751 1.00 0.00 C ATOM 1610 CE2 PHE A 103 89.074 -4.878 -3.476 1.00 0.00 C ATOM 1611 CZ PHE A 103 89.729 -5.644 -2.506 1.00 0.00 C ATOM 0 H PHE A 103 88.521 -9.442 -7.730 1.00 0.00 H new ATOM 0 HA PHE A 103 87.769 -8.982 -4.992 1.00 0.00 H new ATOM 0 HB2 PHE A 103 89.462 -7.797 -6.782 1.00 0.00 H new ATOM 0 HB3 PHE A 103 88.108 -6.689 -6.896 1.00 0.00 H new ATOM 0 HD1 PHE A 103 89.852 -8.617 -4.158 1.00 0.00 H new ATOM 0 HD2 PHE A 103 88.197 -4.867 -5.442 1.00 0.00 H new ATOM 0 HE1 PHE A 103 90.513 -7.585 -2.001 1.00 0.00 H new ATOM 0 HE2 PHE A 103 88.856 -3.838 -3.285 1.00 0.00 H new ATOM 0 HZ PHE A 103 90.019 -5.194 -1.568 1.00 0.00 H new ATOM 1621 N LEU A 104 85.769 -7.716 -7.313 1.00 0.00 N ATOM 1622 CA LEU A 104 84.375 -7.225 -7.506 1.00 0.00 C ATOM 1623 C LEU A 104 83.395 -8.354 -7.180 1.00 0.00 C ATOM 1624 O LEU A 104 82.273 -8.119 -6.775 1.00 0.00 O ATOM 1625 CB LEU A 104 84.185 -6.786 -8.961 1.00 0.00 C ATOM 1626 CG LEU A 104 84.651 -5.339 -9.123 1.00 0.00 C ATOM 1627 CD1 LEU A 104 85.060 -5.094 -10.576 1.00 0.00 C ATOM 1628 CD2 LEU A 104 83.511 -4.390 -8.748 1.00 0.00 C ATOM 0 H LEU A 104 86.348 -7.723 -8.153 1.00 0.00 H new ATOM 0 HA LEU A 104 84.190 -6.377 -6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 104 84.752 -7.438 -9.626 1.00 0.00 H new ATOM 0 HB3 LEU A 104 83.136 -6.875 -9.245 1.00 0.00 H new ATOM 0 HG LEU A 104 85.504 -5.158 -8.470 1.00 0.00 H new ATOM 0 HD11 LEU A 104 85.392 -4.062 -10.691 1.00 0.00 H new ATOM 0 HD12 LEU A 104 85.873 -5.769 -10.844 1.00 0.00 H new ATOM 0 HD13 LEU A 104 84.207 -5.276 -11.230 1.00 0.00 H new ATOM 0 HD21 LEU A 104 83.843 -3.358 -8.864 1.00 0.00 H new ATOM 0 HD22 LEU A 104 82.657 -4.571 -9.401 1.00 0.00 H new ATOM 0 HD23 LEU A 104 83.219 -4.563 -7.712 1.00 0.00 H new ATOM 1640 N GLY A 105 83.811 -9.580 -7.354 1.00 0.00 N ATOM 1641 CA GLY A 105 82.905 -10.724 -7.051 1.00 0.00 C ATOM 1642 C GLY A 105 82.687 -10.814 -5.540 1.00 0.00 C ATOM 1643 O GLY A 105 81.616 -11.153 -5.077 1.00 0.00 O ATOM 0 H GLY A 105 84.738 -9.838 -7.692 1.00 0.00 H new ATOM 0 HA2 GLY A 105 81.950 -10.591 -7.560 1.00 0.00 H new ATOM 0 HA3 GLY A 105 83.337 -11.653 -7.423 1.00 0.00 H new ATOM 1647 N TYR A 106 83.695 -10.512 -4.768 1.00 0.00 N ATOM 1648 CA TYR A 106 83.543 -10.578 -3.287 1.00 0.00 C ATOM 1649 C TYR A 106 82.625 -9.448 -2.824 1.00 0.00 C ATOM 1650 O TYR A 106 81.632 -9.670 -2.160 1.00 0.00 O ATOM 1651 CB TYR A 106 84.919 -10.427 -2.625 1.00 0.00 C ATOM 1652 CG TYR A 106 85.422 -11.779 -2.175 1.00 0.00 C ATOM 1653 CD1 TYR A 106 86.075 -12.620 -3.083 1.00 0.00 C ATOM 1654 CD2 TYR A 106 85.234 -12.190 -0.849 1.00 0.00 C ATOM 1655 CE1 TYR A 106 86.543 -13.872 -2.665 1.00 0.00 C ATOM 1656 CE2 TYR A 106 85.702 -13.442 -0.432 1.00 0.00 C ATOM 1657 CZ TYR A 106 86.356 -14.283 -1.341 1.00 0.00 C ATOM 1658 OH TYR A 106 86.816 -15.516 -0.928 1.00 0.00 O ATOM 0 H TYR A 106 84.616 -10.223 -5.098 1.00 0.00 H new ATOM 0 HA TYR A 106 83.110 -11.538 -3.005 1.00 0.00 H new ATOM 0 HB2 TYR A 106 85.624 -9.982 -3.327 1.00 0.00 H new ATOM 0 HB3 TYR A 106 84.850 -9.752 -1.772 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.218 -12.304 -4.106 1.00 0.00 H new ATOM 0 HD2 TYR A 106 84.728 -11.542 -0.149 1.00 0.00 H new ATOM 0 HE1 TYR A 106 87.049 -14.521 -3.365 1.00 0.00 H new ATOM 0 HE2 TYR A 106 85.559 -13.759 0.590 1.00 0.00 H new ATOM 0 HH TYR A 106 86.605 -15.643 0.020 1.00 0.00 H new ATOM 1668 N PHE A 107 82.952 -8.237 -3.172 1.00 0.00 N ATOM 1669 CA PHE A 107 82.104 -7.086 -2.759 1.00 0.00 C ATOM 1670 C PHE A 107 81.987 -6.094 -3.918 1.00 0.00 C ATOM 1671 O PHE A 107 82.959 -5.501 -4.340 1.00 0.00 O ATOM 1672 CB PHE A 107 82.740 -6.393 -1.552 1.00 0.00 C ATOM 1673 CG PHE A 107 83.293 -7.433 -0.608 1.00 0.00 C ATOM 1674 CD1 PHE A 107 84.659 -7.455 -0.312 1.00 0.00 C ATOM 1675 CD2 PHE A 107 82.436 -8.378 -0.029 1.00 0.00 C ATOM 1676 CE1 PHE A 107 85.171 -8.421 0.563 1.00 0.00 C ATOM 1677 CE2 PHE A 107 82.946 -9.344 0.845 1.00 0.00 C ATOM 1678 CZ PHE A 107 84.315 -9.365 1.142 1.00 0.00 C ATOM 0 H PHE A 107 83.773 -7.993 -3.727 1.00 0.00 H new ATOM 0 HA PHE A 107 81.110 -7.444 -2.490 1.00 0.00 H new ATOM 0 HB2 PHE A 107 83.536 -5.725 -1.881 1.00 0.00 H new ATOM 0 HB3 PHE A 107 81.999 -5.779 -1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 107 85.320 -6.727 -0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 107 81.381 -8.361 -0.258 1.00 0.00 H new ATOM 0 HE1 PHE A 107 86.227 -8.438 0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 107 82.285 -10.073 1.290 1.00 0.00 H new ATOM 0 HZ PHE A 107 84.710 -10.109 1.818 1.00 0.00 H new ATOM 1688 N LYS A 108 80.803 -5.911 -4.436 1.00 0.00 N ATOM 1689 CA LYS A 108 80.624 -4.958 -5.567 1.00 0.00 C ATOM 1690 C LYS A 108 80.106 -3.621 -5.032 1.00 0.00 C ATOM 1691 O LYS A 108 80.656 -2.574 -5.311 1.00 0.00 O ATOM 1692 CB LYS A 108 79.616 -5.533 -6.565 1.00 0.00 C ATOM 1693 CG LYS A 108 79.719 -4.773 -7.890 1.00 0.00 C ATOM 1694 CD LYS A 108 78.388 -4.865 -8.637 1.00 0.00 C ATOM 1695 CE LYS A 108 78.451 -4.009 -9.902 1.00 0.00 C ATOM 1696 NZ LYS A 108 79.146 -4.766 -10.981 1.00 0.00 N ATOM 0 H LYS A 108 79.953 -6.380 -4.125 1.00 0.00 H new ATOM 0 HA LYS A 108 81.581 -4.803 -6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 108 79.811 -6.593 -6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 108 78.605 -5.452 -6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 108 79.972 -3.729 -7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 108 80.520 -5.191 -8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 108 78.176 -5.902 -8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 108 77.575 -4.525 -7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 108 77.444 -3.740 -10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 108 78.980 -3.078 -9.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 79.189 -4.184 -11.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 80.111 -5.001 -10.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 78.624 -5.643 -11.182 1.00 0.00 H new ATOM 1710 N SER A 109 79.048 -3.649 -4.267 1.00 0.00 N ATOM 1711 CA SER A 109 78.497 -2.379 -3.716 1.00 0.00 C ATOM 1712 C SER A 109 79.104 -2.116 -2.336 1.00 0.00 C ATOM 1713 O SER A 109 78.539 -1.408 -1.525 1.00 0.00 O ATOM 1714 CB SER A 109 76.977 -2.496 -3.590 1.00 0.00 C ATOM 1715 OG SER A 109 76.379 -2.216 -4.850 1.00 0.00 O ATOM 0 H SER A 109 78.543 -4.494 -4.001 1.00 0.00 H new ATOM 0 HA SER A 109 78.744 -1.555 -4.385 1.00 0.00 H new ATOM 0 HB2 SER A 109 76.704 -3.498 -3.259 1.00 0.00 H new ATOM 0 HB3 SER A 109 76.608 -1.800 -2.837 1.00 0.00 H new ATOM 0 HG SER A 109 75.405 -2.292 -4.774 1.00 0.00 H new ATOM 1721 N GLY A 110 80.250 -2.679 -2.064 1.00 0.00 N ATOM 1722 CA GLY A 110 80.895 -2.464 -0.738 1.00 0.00 C ATOM 1723 C GLY A 110 82.256 -1.793 -0.934 1.00 0.00 C ATOM 1724 O GLY A 110 82.720 -1.049 -0.093 1.00 0.00 O ATOM 0 H GLY A 110 80.768 -3.280 -2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 110 80.258 -1.842 -0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 110 81.018 -3.417 -0.223 1.00 0.00 H new ATOM 1728 N LEU A 111 82.901 -2.051 -2.039 1.00 0.00 N ATOM 1729 CA LEU A 111 84.231 -1.427 -2.286 1.00 0.00 C ATOM 1730 C LEU A 111 84.073 0.091 -2.382 1.00 0.00 C ATOM 1731 O LEU A 111 83.320 0.598 -3.187 1.00 0.00 O ATOM 1732 CB LEU A 111 84.809 -1.960 -3.599 1.00 0.00 C ATOM 1733 CG LEU A 111 85.048 -3.466 -3.474 1.00 0.00 C ATOM 1734 CD1 LEU A 111 85.433 -4.037 -4.841 1.00 0.00 C ATOM 1735 CD2 LEU A 111 86.178 -3.725 -2.476 1.00 0.00 C ATOM 0 H LEU A 111 82.565 -2.666 -2.780 1.00 0.00 H new ATOM 0 HA LEU A 111 84.904 -1.672 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 111 84.122 -1.756 -4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 111 85.744 -1.450 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 111 84.137 -3.949 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 111 85.603 -5.110 -4.752 1.00 0.00 H new ATOM 0 HD12 LEU A 111 84.627 -3.855 -5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 111 86.344 -3.553 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 111 86.347 -4.798 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 111 87.090 -3.241 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 111 85.903 -3.320 -1.502 1.00 0.00 H new ATOM 1747 N LYS A 112 84.781 0.820 -1.563 1.00 0.00 N ATOM 1748 CA LYS A 112 84.676 2.302 -1.602 1.00 0.00 C ATOM 1749 C LYS A 112 86.074 2.915 -1.491 1.00 0.00 C ATOM 1750 O LYS A 112 86.650 2.981 -0.423 1.00 0.00 O ATOM 1751 CB LYS A 112 83.814 2.780 -0.433 1.00 0.00 C ATOM 1752 CG LYS A 112 83.597 4.288 -0.548 1.00 0.00 C ATOM 1753 CD LYS A 112 82.982 4.819 0.749 1.00 0.00 C ATOM 1754 CE LYS A 112 84.095 5.139 1.750 1.00 0.00 C ATOM 1755 NZ LYS A 112 83.509 5.799 2.950 1.00 0.00 N ATOM 0 H LYS A 112 85.429 0.450 -0.867 1.00 0.00 H new ATOM 0 HA LYS A 112 84.218 2.611 -2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 112 82.855 2.262 -0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 112 84.300 2.542 0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 112 84.545 4.788 -0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 112 82.941 4.508 -1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 112 82.394 5.714 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 112 82.301 4.079 1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 112 84.611 4.224 2.041 1.00 0.00 H new ATOM 0 HE3 LYS A 112 84.837 5.791 1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 84.265 6.017 3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 83.035 6.680 2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 82.817 5.162 3.393 1.00 0.00 H new ATOM 1769 N TYR A 113 86.623 3.366 -2.585 1.00 0.00 N ATOM 1770 CA TYR A 113 87.981 3.977 -2.539 1.00 0.00 C ATOM 1771 C TYR A 113 87.850 5.496 -2.403 1.00 0.00 C ATOM 1772 O TYR A 113 87.039 6.120 -3.060 1.00 0.00 O ATOM 1773 CB TYR A 113 88.742 3.637 -3.826 1.00 0.00 C ATOM 1774 CG TYR A 113 87.769 3.171 -4.883 1.00 0.00 C ATOM 1775 CD1 TYR A 113 87.784 1.837 -5.307 1.00 0.00 C ATOM 1776 CD2 TYR A 113 86.853 4.072 -5.438 1.00 0.00 C ATOM 1777 CE1 TYR A 113 86.883 1.402 -6.285 1.00 0.00 C ATOM 1778 CE2 TYR A 113 85.952 3.638 -6.418 1.00 0.00 C ATOM 1779 CZ TYR A 113 85.967 2.303 -6.842 1.00 0.00 C ATOM 1780 OH TYR A 113 85.078 1.877 -7.806 1.00 0.00 O ATOM 0 H TYR A 113 86.190 3.338 -3.508 1.00 0.00 H new ATOM 0 HA TYR A 113 88.529 3.582 -1.684 1.00 0.00 H new ATOM 0 HB2 TYR A 113 89.287 4.512 -4.180 1.00 0.00 H new ATOM 0 HB3 TYR A 113 89.480 2.860 -3.629 1.00 0.00 H new ATOM 0 HD1 TYR A 113 88.492 1.143 -4.879 1.00 0.00 H new ATOM 0 HD2 TYR A 113 86.841 5.101 -5.111 1.00 0.00 H new ATOM 0 HE1 TYR A 113 86.894 0.372 -6.610 1.00 0.00 H new ATOM 0 HE2 TYR A 113 85.245 4.333 -6.847 1.00 0.00 H new ATOM 0 HH TYR A 113 84.513 2.628 -8.084 1.00 0.00 H new ATOM 1790 N LYS A 114 88.639 6.096 -1.553 1.00 0.00 N ATOM 1791 CA LYS A 114 88.559 7.574 -1.371 1.00 0.00 C ATOM 1792 C LYS A 114 89.967 8.173 -1.435 1.00 0.00 C ATOM 1793 O LYS A 114 90.932 7.557 -1.031 1.00 0.00 O ATOM 1794 CB LYS A 114 87.933 7.887 -0.011 1.00 0.00 C ATOM 1795 CG LYS A 114 88.379 6.841 1.011 1.00 0.00 C ATOM 1796 CD LYS A 114 87.795 7.185 2.382 1.00 0.00 C ATOM 1797 CE LYS A 114 88.285 6.169 3.417 1.00 0.00 C ATOM 1798 NZ LYS A 114 89.636 6.568 3.903 1.00 0.00 N ATOM 0 H LYS A 114 89.336 5.626 -0.976 1.00 0.00 H new ATOM 0 HA LYS A 114 87.945 8.005 -2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 114 88.232 8.882 0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 114 86.846 7.891 -0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 114 88.047 5.850 0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 114 89.467 6.811 1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 114 88.095 8.191 2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 114 86.706 7.178 2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 114 87.586 6.119 4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 114 88.325 5.174 2.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 89.834 6.093 4.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 90.353 6.291 3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 89.665 7.599 4.040 1.00 0.00 H new ATOM 1812 N LYS A 115 90.088 9.372 -1.937 1.00 0.00 N ATOM 1813 CA LYS A 115 91.430 10.012 -2.027 1.00 0.00 C ATOM 1814 C LYS A 115 91.532 11.130 -0.986 1.00 0.00 C ATOM 1815 O LYS A 115 90.543 11.711 -0.589 1.00 0.00 O ATOM 1816 CB LYS A 115 91.626 10.602 -3.427 1.00 0.00 C ATOM 1817 CG LYS A 115 90.392 11.423 -3.817 1.00 0.00 C ATOM 1818 CD LYS A 115 89.426 10.551 -4.623 1.00 0.00 C ATOM 1819 CE LYS A 115 88.250 11.404 -5.106 1.00 0.00 C ATOM 1820 NZ LYS A 115 88.766 12.669 -5.703 1.00 0.00 N ATOM 0 H LYS A 115 89.314 9.936 -2.289 1.00 0.00 H new ATOM 0 HA LYS A 115 92.200 9.264 -1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 115 92.515 11.232 -3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 115 91.787 9.802 -4.150 1.00 0.00 H new ATOM 0 HG2 LYS A 115 89.897 11.800 -2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 115 90.691 12.290 -4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 115 89.943 10.109 -5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 115 89.063 9.727 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 115 87.666 10.853 -5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 115 87.583 11.628 -4.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 88.114 12.994 -6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 88.840 13.397 -4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 89.705 12.500 -6.117 1.00 0.00 H new ATOM 1834 N GLY A 116 92.720 11.434 -0.543 1.00 0.00 N ATOM 1835 CA GLY A 116 92.883 12.514 0.471 1.00 0.00 C ATOM 1836 C GLY A 116 94.348 12.953 0.523 1.00 0.00 C ATOM 1837 O GLY A 116 95.251 12.151 0.386 1.00 0.00 O ATOM 0 H GLY A 116 93.585 10.982 -0.839 1.00 0.00 H new ATOM 0 HA2 GLY A 116 92.247 13.363 0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 116 92.565 12.158 1.451 1.00 0.00 H new ATOM 1841 N GLY A 117 94.591 14.220 0.721 1.00 0.00 N ATOM 1842 CA GLY A 117 95.998 14.707 0.781 1.00 0.00 C ATOM 1843 C GLY A 117 96.839 13.736 1.612 1.00 0.00 C ATOM 1844 O GLY A 117 97.847 13.231 1.159 1.00 0.00 O ATOM 0 H GLY A 117 93.877 14.938 0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 117 96.408 14.791 -0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 117 96.031 15.703 1.223 1.00 0.00 H new ATOM 1848 N VAL A 118 96.434 13.471 2.823 1.00 0.00 N ATOM 1849 CA VAL A 118 97.211 12.532 3.679 1.00 0.00 C ATOM 1850 C VAL A 118 98.704 12.848 3.556 1.00 0.00 C ATOM 1851 O VAL A 118 99.188 13.824 4.094 1.00 0.00 O ATOM 1852 CB VAL A 118 96.950 11.094 3.226 1.00 0.00 C ATOM 1853 CG1 VAL A 118 97.626 10.121 4.193 1.00 0.00 C ATOM 1854 CG2 VAL A 118 95.442 10.832 3.211 1.00 0.00 C ATOM 0 H VAL A 118 95.599 13.864 3.257 1.00 0.00 H new ATOM 0 HA VAL A 118 96.902 12.644 4.718 1.00 0.00 H new ATOM 0 HB VAL A 118 97.356 10.950 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 118 97.439 9.097 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 118 98.700 10.307 4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 118 97.221 10.264 5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 118 95.254 9.808 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 118 95.038 10.977 4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 118 94.959 11.524 2.521 1.00 0.00 H new ATOM 1864 N ALA A 119 99.439 12.030 2.853 1.00 0.00 N ATOM 1865 CA ALA A 119 100.899 12.287 2.698 1.00 0.00 C ATOM 1866 C ALA A 119 101.121 13.324 1.595 1.00 0.00 C ATOM 1867 O ALA A 119 101.858 13.096 0.655 1.00 0.00 O ATOM 1868 CB ALA A 119 101.609 10.984 2.324 1.00 0.00 C ATOM 0 H ALA A 119 99.092 11.196 2.380 1.00 0.00 H new ATOM 0 HA ALA A 119 101.303 12.665 3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 119 102.677 11.171 2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 119 101.452 10.245 3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 119 101.205 10.606 1.385 1.00 0.00 H new ATOM 1874 N SER A 120 100.491 14.462 1.702 1.00 0.00 N ATOM 1875 CA SER A 120 100.668 15.511 0.660 1.00 0.00 C ATOM 1876 C SER A 120 102.148 15.883 0.555 1.00 0.00 C ATOM 1877 O SER A 120 102.843 15.457 -0.348 1.00 0.00 O ATOM 1878 CB SER A 120 99.857 16.750 1.042 1.00 0.00 C ATOM 1879 OG SER A 120 100.177 17.127 2.375 1.00 0.00 O ATOM 0 H SER A 120 99.862 14.710 2.466 1.00 0.00 H new ATOM 0 HA SER A 120 100.321 15.130 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 120 100.078 17.569 0.357 1.00 0.00 H new ATOM 0 HB3 SER A 120 98.791 16.542 0.957 1.00 0.00 H new ATOM 0 HG SER A 120 99.660 17.922 2.623 1.00 0.00 H new ATOM 1885 N GLY A 121 102.638 16.674 1.470 1.00 0.00 N ATOM 1886 CA GLY A 121 104.072 17.073 1.420 1.00 0.00 C ATOM 1887 C GLY A 121 104.274 18.360 2.222 1.00 0.00 C ATOM 1888 O GLY A 121 103.993 19.444 1.754 1.00 0.00 O ATOM 0 H GLY A 121 102.107 17.061 2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 121 104.696 16.277 1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 121 104.382 17.224 0.386 1.00 0.00 H new ATOM 1892 N PHE A 122 104.763 18.248 3.428 1.00 0.00 N ATOM 1893 CA PHE A 122 104.983 19.466 4.258 1.00 0.00 C ATOM 1894 C PHE A 122 105.675 20.540 3.417 1.00 0.00 C ATOM 1895 O PHE A 122 105.127 21.594 3.166 1.00 0.00 O ATOM 1896 CB PHE A 122 105.863 19.111 5.458 1.00 0.00 C ATOM 1897 CG PHE A 122 105.144 18.116 6.338 1.00 0.00 C ATOM 1898 CD1 PHE A 122 104.116 18.546 7.184 1.00 0.00 C ATOM 1899 CD2 PHE A 122 105.505 16.764 6.305 1.00 0.00 C ATOM 1900 CE1 PHE A 122 103.449 17.624 7.999 1.00 0.00 C ATOM 1901 CE2 PHE A 122 104.839 15.842 7.120 1.00 0.00 C ATOM 1902 CZ PHE A 122 103.810 16.272 7.968 1.00 0.00 C ATOM 0 H PHE A 122 105.019 17.367 3.873 1.00 0.00 H new ATOM 0 HA PHE A 122 104.023 19.845 4.610 1.00 0.00 H new ATOM 0 HB2 PHE A 122 106.809 18.692 5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 122 106.100 20.010 6.027 1.00 0.00 H new ATOM 0 HD1 PHE A 122 103.837 19.589 7.208 1.00 0.00 H new ATOM 0 HD2 PHE A 122 106.298 16.433 5.651 1.00 0.00 H new ATOM 0 HE1 PHE A 122 102.655 17.956 8.652 1.00 0.00 H new ATOM 0 HE2 PHE A 122 105.118 14.799 7.095 1.00 0.00 H new ATOM 0 HZ PHE A 122 103.296 15.561 8.597 1.00 0.00 H new ATOM 1912 N LYS A 123 106.876 20.278 2.980 1.00 0.00 N ATOM 1913 CA LYS A 123 107.605 21.283 2.155 1.00 0.00 C ATOM 1914 C LYS A 123 107.355 21.004 0.672 1.00 0.00 C ATOM 1915 O LYS A 123 106.236 20.777 0.253 1.00 0.00 O ATOM 1916 CB LYS A 123 109.104 21.189 2.445 1.00 0.00 C ATOM 1917 CG LYS A 123 109.779 22.516 2.087 1.00 0.00 C ATOM 1918 CD LYS A 123 111.285 22.405 2.336 1.00 0.00 C ATOM 1919 CE LYS A 123 112.015 23.480 1.530 1.00 0.00 C ATOM 1920 NZ LYS A 123 113.384 23.673 2.087 1.00 0.00 N ATOM 0 H LYS A 123 107.384 19.412 3.158 1.00 0.00 H new ATOM 0 HA LYS A 123 107.248 22.283 2.402 1.00 0.00 H new ATOM 0 HB2 LYS A 123 109.268 20.958 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 123 109.546 20.377 1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 123 109.589 22.763 1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 123 109.359 23.324 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 123 111.499 22.524 3.398 1.00 0.00 H new ATOM 0 HD3 LYS A 123 111.640 21.415 2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 123 112.075 23.186 0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 123 111.460 24.417 1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 113.882 24.404 1.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 113.316 23.971 3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 113.911 22.779 2.030 1.00 0.00 H new ATOM 1934 N HIS A 124 108.388 21.016 -0.126 1.00 0.00 N ATOM 1935 CA HIS A 124 108.210 20.749 -1.581 1.00 0.00 C ATOM 1936 C HIS A 124 109.458 20.055 -2.126 1.00 0.00 C ATOM 1937 O HIS A 124 109.863 20.274 -3.251 1.00 0.00 O ATOM 1938 CB HIS A 124 107.998 22.073 -2.320 1.00 0.00 C ATOM 1939 CG HIS A 124 107.264 21.818 -3.609 1.00 0.00 C ATOM 1940 ND1 HIS A 124 107.826 22.092 -4.847 1.00 0.00 N ATOM 1941 CD2 HIS A 124 106.014 21.311 -3.867 1.00 0.00 C ATOM 1942 CE1 HIS A 124 106.922 21.754 -5.787 1.00 0.00 C ATOM 1943 NE2 HIS A 124 105.804 21.276 -5.241 1.00 0.00 N ATOM 0 H HIS A 124 109.348 21.199 0.167 1.00 0.00 H new ATOM 0 HA HIS A 124 107.342 20.107 -1.730 1.00 0.00 H new ATOM 0 HB2 HIS A 124 107.430 22.763 -1.696 1.00 0.00 H new ATOM 0 HB3 HIS A 124 108.959 22.546 -2.524 1.00 0.00 H new ATOM 0 HD2 HIS A 124 105.304 20.989 -3.119 1.00 0.00 H new ATOM 0 HE1 HIS A 124 107.083 21.857 -6.850 1.00 0.00 H new ATOM 0 HE2 HIS A 124 104.969 20.952 -5.729 1.00 0.00 H new ATOM 1951 N VAL A 125 110.073 19.216 -1.336 1.00 0.00 N ATOM 1952 CA VAL A 125 111.297 18.505 -1.804 1.00 0.00 C ATOM 1953 C VAL A 125 110.979 17.019 -1.994 1.00 0.00 C ATOM 1954 O VAL A 125 109.840 16.604 -1.917 1.00 0.00 O ATOM 1955 CB VAL A 125 112.409 18.671 -0.760 1.00 0.00 C ATOM 1956 CG1 VAL A 125 112.300 17.568 0.297 1.00 0.00 C ATOM 1957 CG2 VAL A 125 113.778 18.591 -1.447 1.00 0.00 C ATOM 0 H VAL A 125 109.780 18.992 -0.385 1.00 0.00 H new ATOM 0 HA VAL A 125 111.629 18.925 -2.754 1.00 0.00 H new ATOM 0 HB VAL A 125 112.302 19.642 -0.277 1.00 0.00 H new ATOM 0 HG11 VAL A 125 113.092 17.692 1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 125 111.331 17.632 0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 125 112.399 16.594 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 125 114.566 18.709 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 125 113.883 17.623 -1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 125 113.859 19.384 -2.190 1.00 0.00 H new ATOM 1967 N VAL A 126 111.976 16.214 -2.244 1.00 0.00 N ATOM 1968 CA VAL A 126 111.728 14.757 -2.437 1.00 0.00 C ATOM 1969 C VAL A 126 113.070 14.028 -2.573 1.00 0.00 C ATOM 1970 O VAL A 126 113.828 14.288 -3.486 1.00 0.00 O ATOM 1971 CB VAL A 126 110.905 14.549 -3.709 1.00 0.00 C ATOM 1972 CG1 VAL A 126 111.644 15.156 -4.903 1.00 0.00 C ATOM 1973 CG2 VAL A 126 110.706 13.049 -3.945 1.00 0.00 C ATOM 0 H VAL A 126 112.951 16.502 -2.323 1.00 0.00 H new ATOM 0 HA VAL A 126 111.183 14.361 -1.580 1.00 0.00 H new ATOM 0 HB VAL A 126 109.936 15.035 -3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 126 111.056 15.007 -5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 126 111.790 16.223 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 126 112.614 14.671 -5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 126 110.120 12.898 -4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 126 111.677 12.566 -4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 126 110.180 12.614 -3.096 1.00 0.00 H new ATOM 1983 N PRO A 127 113.368 13.122 -1.672 1.00 0.00 N ATOM 1984 CA PRO A 127 114.645 12.355 -1.707 1.00 0.00 C ATOM 1985 C PRO A 127 114.626 11.244 -2.761 1.00 0.00 C ATOM 1986 O PRO A 127 114.349 10.098 -2.466 1.00 0.00 O ATOM 1987 CB PRO A 127 114.744 11.760 -0.301 1.00 0.00 C ATOM 1988 CG PRO A 127 113.336 11.638 0.178 1.00 0.00 C ATOM 1989 CD PRO A 127 112.526 12.729 -0.530 1.00 0.00 C ATOM 0 HA PRO A 127 115.492 12.986 -1.975 1.00 0.00 H new ATOM 0 HB2 PRO A 127 115.238 10.789 -0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 127 115.329 12.403 0.357 1.00 0.00 H new ATOM 0 HG2 PRO A 127 112.935 10.650 -0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 127 113.285 11.760 1.260 1.00 0.00 H new ATOM 0 HD2 PRO A 127 111.557 12.354 -0.860 1.00 0.00 H new ATOM 0 HD3 PRO A 127 112.333 13.574 0.131 1.00 0.00 H new ATOM 1997 N ASN A 128 114.916 11.576 -3.990 1.00 0.00 N ATOM 1998 CA ASN A 128 114.913 10.540 -5.061 1.00 0.00 C ATOM 1999 C ASN A 128 116.308 9.921 -5.176 1.00 0.00 C ATOM 2000 O ASN A 128 117.306 10.563 -4.915 1.00 0.00 O ATOM 2001 CB ASN A 128 114.530 11.188 -6.393 1.00 0.00 C ATOM 2002 CG ASN A 128 115.236 12.538 -6.528 1.00 0.00 C ATOM 2003 OD1 ASN A 128 115.915 12.974 -5.619 1.00 0.00 O ATOM 2004 ND2 ASN A 128 115.105 13.221 -7.632 1.00 0.00 N ATOM 0 H ASN A 128 115.154 12.519 -4.298 1.00 0.00 H new ATOM 0 HA ASN A 128 114.191 9.762 -4.814 1.00 0.00 H new ATOM 0 HB2 ASN A 128 114.810 10.536 -7.220 1.00 0.00 H new ATOM 0 HB3 ASN A 128 113.450 11.324 -6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 128 115.573 14.122 -7.733 1.00 0.00 H new ATOM 0 HD22 ASN A 128 114.535 12.854 -8.394 1.00 0.00 H new ATOM 2011 N GLU A 129 116.384 8.678 -5.567 1.00 0.00 N ATOM 2012 CA GLU A 129 117.712 8.018 -5.700 1.00 0.00 C ATOM 2013 C GLU A 129 117.532 6.643 -6.348 1.00 0.00 C ATOM 2014 O GLU A 129 117.831 5.624 -5.758 1.00 0.00 O ATOM 2015 CB GLU A 129 118.340 7.849 -4.314 1.00 0.00 C ATOM 2016 CG GLU A 129 119.836 7.566 -4.464 1.00 0.00 C ATOM 2017 CD GLU A 129 120.435 7.252 -3.090 1.00 0.00 C ATOM 2018 OE1 GLU A 129 120.893 8.175 -2.440 1.00 0.00 O ATOM 2019 OE2 GLU A 129 120.425 6.091 -2.715 1.00 0.00 O ATOM 0 H GLU A 129 115.583 8.091 -5.800 1.00 0.00 H new ATOM 0 HA GLU A 129 118.364 8.633 -6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 129 118.187 8.751 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 129 117.856 7.031 -3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 129 119.992 6.727 -5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 129 120.338 8.428 -4.903 1.00 0.00 H new ATOM 2026 N VAL A 130 117.043 6.607 -7.557 1.00 0.00 N ATOM 2027 CA VAL A 130 116.841 5.300 -8.241 1.00 0.00 C ATOM 2028 C VAL A 130 118.177 4.795 -8.790 1.00 0.00 C ATOM 2029 O VAL A 130 118.525 5.044 -9.927 1.00 0.00 O ATOM 2030 CB VAL A 130 115.845 5.475 -9.391 1.00 0.00 C ATOM 2031 CG1 VAL A 130 116.334 6.579 -10.336 1.00 0.00 C ATOM 2032 CG2 VAL A 130 115.726 4.159 -10.164 1.00 0.00 C ATOM 0 H VAL A 130 116.775 7.427 -8.101 1.00 0.00 H new ATOM 0 HA VAL A 130 116.448 4.575 -7.528 1.00 0.00 H new ATOM 0 HB VAL A 130 114.871 5.752 -8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 130 115.623 6.700 -11.153 1.00 0.00 H new ATOM 0 HG12 VAL A 130 116.419 7.517 -9.787 1.00 0.00 H new ATOM 0 HG13 VAL A 130 117.308 6.306 -10.741 1.00 0.00 H new ATOM 0 HG21 VAL A 130 115.017 4.281 -10.983 1.00 0.00 H new ATOM 0 HG22 VAL A 130 116.701 3.883 -10.566 1.00 0.00 H new ATOM 0 HG23 VAL A 130 115.375 3.374 -9.494 1.00 0.00 H new ATOM 2042 N VAL A 131 118.927 4.088 -7.991 1.00 0.00 N ATOM 2043 CA VAL A 131 120.238 3.566 -8.468 1.00 0.00 C ATOM 2044 C VAL A 131 120.019 2.260 -9.233 1.00 0.00 C ATOM 2045 O VAL A 131 119.543 1.283 -8.690 1.00 0.00 O ATOM 2046 CB VAL A 131 121.151 3.309 -7.268 1.00 0.00 C ATOM 2047 CG1 VAL A 131 120.643 2.092 -6.492 1.00 0.00 C ATOM 2048 CG2 VAL A 131 122.575 3.040 -7.760 1.00 0.00 C ATOM 0 H VAL A 131 118.689 3.849 -7.028 1.00 0.00 H new ATOM 0 HA VAL A 131 120.703 4.299 -9.128 1.00 0.00 H new ATOM 0 HB VAL A 131 121.149 4.183 -6.616 1.00 0.00 H new ATOM 0 HG11 VAL A 131 121.293 1.908 -5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 131 119.628 2.281 -6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 131 120.645 1.218 -7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 131 123.227 2.857 -6.906 1.00 0.00 H new ATOM 0 HG22 VAL A 131 122.576 2.166 -8.411 1.00 0.00 H new ATOM 0 HG23 VAL A 131 122.938 3.906 -8.314 1.00 0.00 H new ATOM 2058 N VAL A 132 120.361 2.234 -10.492 1.00 0.00 N ATOM 2059 CA VAL A 132 120.171 0.991 -11.290 1.00 0.00 C ATOM 2060 C VAL A 132 121.277 -0.010 -10.951 1.00 0.00 C ATOM 2061 O VAL A 132 121.193 -0.739 -9.981 1.00 0.00 O ATOM 2062 CB VAL A 132 120.225 1.327 -12.781 1.00 0.00 C ATOM 2063 CG1 VAL A 132 119.985 0.058 -13.602 1.00 0.00 C ATOM 2064 CG2 VAL A 132 119.142 2.357 -13.109 1.00 0.00 C ATOM 0 H VAL A 132 120.764 3.020 -11.002 1.00 0.00 H new ATOM 0 HA VAL A 132 119.202 0.553 -11.052 1.00 0.00 H new ATOM 0 HB VAL A 132 121.205 1.736 -13.025 1.00 0.00 H new ATOM 0 HG11 VAL A 132 120.024 0.299 -14.664 1.00 0.00 H new ATOM 0 HG12 VAL A 132 120.755 -0.677 -13.369 1.00 0.00 H new ATOM 0 HG13 VAL A 132 119.005 -0.353 -13.359 1.00 0.00 H new ATOM 0 HG21 VAL A 132 119.179 2.598 -14.171 1.00 0.00 H new ATOM 0 HG22 VAL A 132 118.163 1.946 -12.864 1.00 0.00 H new ATOM 0 HG23 VAL A 132 119.312 3.262 -12.526 1.00 0.00 H new ATOM 2074 N GLN A 133 122.316 -0.052 -11.740 1.00 0.00 N ATOM 2075 CA GLN A 133 123.427 -1.007 -11.461 1.00 0.00 C ATOM 2076 C GLN A 133 124.590 -0.259 -10.807 1.00 0.00 C ATOM 2077 O GLN A 133 124.553 -0.083 -9.599 1.00 0.00 O ATOM 2078 CB GLN A 133 123.900 -1.638 -12.773 1.00 0.00 C ATOM 2079 CG GLN A 133 123.013 -2.838 -13.113 1.00 0.00 C ATOM 2080 CD GLN A 133 123.532 -4.080 -12.387 1.00 0.00 C ATOM 2081 OE1 GLN A 133 123.179 -4.293 -11.148 1.00 0.00 O flip ATOM 2082 NE2 GLN A 133 124.267 -4.865 -12.952 1.00 0.00 N flip ATOM 2083 OXT GLN A 133 125.498 0.127 -11.524 1.00 0.00 O ATOM 0 H GLN A 133 122.444 0.533 -12.566 1.00 0.00 H new ATOM 0 HA GLN A 133 123.073 -1.789 -10.789 1.00 0.00 H new ATOM 0 HB2 GLN A 133 123.860 -0.903 -13.577 1.00 0.00 H new ATOM 0 HB3 GLN A 133 124.939 -1.955 -12.682 1.00 0.00 H new ATOM 0 HG2 GLN A 133 121.983 -2.637 -12.820 1.00 0.00 H new ATOM 0 HG3 GLN A 133 123.010 -3.008 -14.190 1.00 0.00 H new ATOM 0 HE21 GLN A 133 124.543 -4.699 -13.920 1.00 0.00 H new ATOM 0 HE22 GLN A 133 124.608 -5.690 -12.459 1.00 0.00 H new TER 2092 GLN A 133