USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 869 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 12 HIS : no HD1:sc= -1.36 K(o=-7.4,f=-11!) USER MOD Set 1.2: A 68 CYS SG : rot -90:sc= -3.41! USER MOD Set 1.3: A 70 SER OG : rot 170:sc= 0.0458 USER MOD Set 1.4: A 107 THR OG1 : rot -138:sc= 1.19 USER MOD Set 1.5: A 112 HIS :FLIP no HD1:sc= -3.84! C(o=-13!,f=-7.4!) USER MOD Set 2.1: A 7 LYS NZ :NH3+ -157:sc= 0.975 (180deg=0) USER MOD Set 2.2: A 81 SER OG : rot -132:sc= 2.1 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= 0.773 (180deg=0.0647) USER MOD Single : A 18 SER OG : rot 131:sc= 1.06 USER MOD Single : A 20 SER OG : rot -73:sc= 1.07 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.761 F(o=-1.6,f=-0.76) USER MOD Single : A 25 SER OG : rot 41:sc= 0.744 USER MOD Single : A 28 THR OG1 : rot 171:sc= -0.252 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -157:sc= -1.01! USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0289 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= 0.584 (180deg=0.0105) USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0358) USER MOD Single : A 48 SER OG : rot -68:sc= 0.128 USER MOD Single : A 49 GLN : amide:sc= 0.047 X(o=0.047,f=0) USER MOD Single : A 53 SER OG : rot -165:sc= -0.422 USER MOD Single : A 57 SER OG : rot 71:sc= 1.16 USER MOD Single : A 63 SER OG : rot 91:sc= 0.183 USER MOD Single : A 64 GLN : amide:sc= 1.21 K(o=1.2,f=-0.088) USER MOD Single : A 66 SER OG : rot 180:sc= 0.209 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 67:sc= 0.405 USER MOD Single : A 85 MET CE :methyl -139:sc= -0.298 (180deg=-2.74!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -168:sc= -0.0432 (180deg=-0.231) USER MOD Single : A 102 SER OG : rot 130:sc= 0.97 USER MOD Single : A 106 GLN : amide:sc= -0.0931 X(o=-0.093,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= -0.168 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 -24.541 -3.807 -5.491 1.00 4.59 N ATOM 2 CA MET A 4 -23.354 -4.506 -4.956 1.00 4.13 C ATOM 3 C MET A 4 -23.126 -4.124 -3.500 1.00 3.08 C ATOM 4 O MET A 4 -23.102 -2.944 -3.151 1.00 3.52 O ATOM 5 CB MET A 4 -22.111 -4.179 -5.794 1.00 4.92 C ATOM 6 CG MET A 4 -21.787 -2.694 -5.879 1.00 5.54 C ATOM 7 SD MET A 4 -20.323 -2.357 -6.874 1.00 6.61 S ATOM 8 CE MET A 4 -20.208 -0.577 -6.706 1.00 7.23 C ATOM 0 HA MET A 4 -23.533 -5.580 -5.011 1.00 4.13 H new ATOM 0 HB2 MET A 4 -21.254 -4.703 -5.371 1.00 4.92 H new ATOM 0 HB3 MET A 4 -22.255 -4.566 -6.803 1.00 4.92 H new ATOM 0 HG2 MET A 4 -22.640 -2.164 -6.304 1.00 5.54 H new ATOM 0 HG3 MET A 4 -21.636 -2.301 -4.874 1.00 5.54 H new ATOM 0 HE1 MET A 4 -19.347 -0.213 -7.268 1.00 7.23 H new ATOM 0 HE2 MET A 4 -21.116 -0.115 -7.094 1.00 7.23 H new ATOM 0 HE3 MET A 4 -20.090 -0.318 -5.654 1.00 7.23 H new ATOM 20 N SER A 5 -22.975 -5.127 -2.649 1.00 2.21 N ATOM 21 CA SER A 5 -22.788 -4.897 -1.225 1.00 1.64 C ATOM 22 C SER A 5 -21.380 -5.289 -0.786 1.00 1.29 C ATOM 23 O SER A 5 -20.724 -4.553 -0.047 1.00 1.48 O ATOM 24 CB SER A 5 -23.832 -5.682 -0.424 1.00 2.23 C ATOM 25 OG SER A 5 -23.695 -5.449 0.968 1.00 2.88 O ATOM 0 H SER A 5 -22.978 -6.110 -2.921 1.00 2.21 H new ATOM 0 HA SER A 5 -22.917 -3.832 -1.031 1.00 1.64 H new ATOM 0 HB2 SER A 5 -24.833 -5.394 -0.746 1.00 2.23 H new ATOM 0 HB3 SER A 5 -23.725 -6.747 -0.629 1.00 2.23 H new ATOM 0 HG SER A 5 -24.375 -5.961 1.454 1.00 2.88 H new ATOM 31 N GLU A 6 -20.913 -6.444 -1.254 1.00 1.02 N ATOM 32 CA GLU A 6 -19.600 -6.951 -0.859 1.00 0.78 C ATOM 33 C GLU A 6 -18.489 -6.215 -1.598 1.00 0.71 C ATOM 34 O GLU A 6 -17.314 -6.336 -1.251 1.00 1.06 O ATOM 35 CB GLU A 6 -19.498 -8.456 -1.136 1.00 0.86 C ATOM 36 CG GLU A 6 -19.519 -8.813 -2.614 1.00 1.37 C ATOM 37 CD GLU A 6 -19.523 -10.307 -2.863 1.00 2.17 C ATOM 38 OE1 GLU A 6 -20.572 -10.946 -2.644 1.00 2.56 O ATOM 39 OE2 GLU A 6 -18.482 -10.848 -3.298 1.00 2.80 O ATOM 0 H GLU A 6 -21.421 -7.044 -1.904 1.00 1.02 H new ATOM 0 HA GLU A 6 -19.483 -6.778 0.211 1.00 0.78 H new ATOM 0 HB2 GLU A 6 -18.577 -8.835 -0.694 1.00 0.86 H new ATOM 0 HB3 GLU A 6 -20.324 -8.964 -0.638 1.00 0.86 H new ATOM 0 HG2 GLU A 6 -20.402 -8.371 -3.076 1.00 1.37 H new ATOM 0 HG3 GLU A 6 -18.649 -8.372 -3.101 1.00 1.37 H new ATOM 46 N LYS A 7 -18.868 -5.450 -2.612 1.00 0.57 N ATOM 47 CA LYS A 7 -17.897 -4.765 -3.450 1.00 0.51 C ATOM 48 C LYS A 7 -17.435 -3.465 -2.811 1.00 0.42 C ATOM 49 O LYS A 7 -18.244 -2.651 -2.367 1.00 0.60 O ATOM 50 CB LYS A 7 -18.473 -4.502 -4.836 1.00 0.64 C ATOM 51 CG LYS A 7 -18.771 -5.777 -5.598 1.00 0.92 C ATOM 52 CD LYS A 7 -17.501 -6.503 -6.015 1.00 0.87 C ATOM 53 CE LYS A 7 -17.827 -7.842 -6.656 1.00 1.10 C ATOM 54 NZ LYS A 7 -16.609 -8.633 -6.971 1.00 1.19 N ATOM 0 H LYS A 7 -19.841 -5.289 -2.873 1.00 0.57 H new ATOM 0 HA LYS A 7 -17.029 -5.416 -3.552 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -19.389 -3.919 -4.739 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -17.769 -3.898 -5.409 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -19.378 -6.436 -4.978 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -19.361 -5.540 -6.484 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -16.939 -5.887 -6.717 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -16.863 -6.658 -5.145 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -18.466 -8.416 -5.985 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -18.395 -7.675 -7.571 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -16.825 -9.317 -7.724 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -15.853 -7.994 -7.290 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -16.296 -9.142 -6.120 1.00 1.19 H new ATOM 68 N LEU A 8 -16.128 -3.299 -2.767 1.00 0.33 N ATOM 69 CA LEU A 8 -15.501 -2.128 -2.190 1.00 0.26 C ATOM 70 C LEU A 8 -14.443 -1.608 -3.161 1.00 0.22 C ATOM 71 O LEU A 8 -14.160 -2.258 -4.169 1.00 0.22 O ATOM 72 CB LEU A 8 -14.868 -2.508 -0.853 1.00 0.25 C ATOM 73 CG LEU A 8 -14.529 -1.346 0.076 1.00 0.33 C ATOM 74 CD1 LEU A 8 -15.794 -0.691 0.598 1.00 1.18 C ATOM 75 CD2 LEU A 8 -13.661 -1.828 1.230 1.00 0.81 C ATOM 0 H LEU A 8 -15.465 -3.981 -3.135 1.00 0.33 H new ATOM 0 HA LEU A 8 -16.238 -1.344 -2.016 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -15.547 -3.181 -0.329 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.954 -3.068 -1.051 1.00 0.25 H new ATOM 0 HG LEU A 8 -13.970 -0.602 -0.492 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -15.530 0.135 1.258 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -16.380 -0.313 -0.240 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -16.382 -1.424 1.151 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -13.427 -0.988 1.885 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -14.197 -2.590 1.795 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -12.736 -2.251 0.838 1.00 0.81 H new ATOM 87 N ARG A 9 -13.876 -0.446 -2.878 1.00 0.24 N ATOM 88 CA ARG A 9 -12.794 0.092 -3.690 1.00 0.23 C ATOM 89 C ARG A 9 -11.809 0.847 -2.816 1.00 0.20 C ATOM 90 O ARG A 9 -12.210 1.666 -1.984 1.00 0.21 O ATOM 91 CB ARG A 9 -13.324 1.022 -4.783 1.00 0.25 C ATOM 92 CG ARG A 9 -12.211 1.652 -5.604 1.00 0.26 C ATOM 93 CD ARG A 9 -12.740 2.517 -6.730 1.00 0.34 C ATOM 94 NE ARG A 9 -11.654 2.991 -7.585 1.00 0.49 N ATOM 95 CZ ARG A 9 -11.748 4.030 -8.412 1.00 0.81 C ATOM 96 NH1 ARG A 9 -12.878 4.724 -8.490 1.00 1.06 N ATOM 97 NH2 ARG A 9 -10.709 4.380 -9.159 1.00 0.98 N ATOM 0 H ARG A 9 -14.147 0.144 -2.091 1.00 0.24 H new ATOM 0 HA ARG A 9 -12.291 -0.748 -4.169 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -13.985 0.461 -5.444 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -13.924 1.809 -4.326 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.580 2.256 -4.952 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.580 0.866 -6.019 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.454 1.948 -7.326 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.279 3.369 -6.316 1.00 0.34 H new ATOM 0 HE ARG A 9 -10.765 2.493 -7.546 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -13.678 4.462 -7.915 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -12.945 5.519 -9.125 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -9.838 3.853 -9.100 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -10.781 5.176 -9.793 1.00 0.98 H new ATOM 111 N ALA A 10 -10.523 0.570 -2.994 1.00 0.20 N ATOM 112 CA ALA A 10 -9.504 1.242 -2.205 1.00 0.17 C ATOM 113 C ALA A 10 -8.195 1.421 -2.974 1.00 0.16 C ATOM 114 O ALA A 10 -7.939 0.742 -3.970 1.00 0.17 O ATOM 115 CB ALA A 10 -9.260 0.462 -0.922 1.00 0.22 C ATOM 0 H ALA A 10 -10.166 -0.106 -3.669 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.871 2.241 -1.969 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.496 0.965 -0.330 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -10.185 0.406 -0.349 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -8.924 -0.545 -1.167 1.00 0.22 H new ATOM 121 N ALA A 11 -7.381 2.357 -2.497 1.00 0.17 N ATOM 122 CA ALA A 11 -6.061 2.618 -3.052 1.00 0.18 C ATOM 123 C ALA A 11 -5.005 2.106 -2.087 1.00 0.17 C ATOM 124 O ALA A 11 -5.135 2.282 -0.879 1.00 0.19 O ATOM 125 CB ALA A 11 -5.866 4.109 -3.308 1.00 0.20 C ATOM 0 H ALA A 11 -7.622 2.959 -1.709 1.00 0.17 H new ATOM 0 HA ALA A 11 -5.967 2.099 -4.006 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -4.873 4.280 -3.723 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.619 4.458 -4.014 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -5.967 4.655 -2.370 1.00 0.20 H new ATOM 131 N HIS A 12 -3.959 1.487 -2.608 1.00 0.16 N ATOM 132 CA HIS A 12 -2.986 0.825 -1.753 1.00 0.16 C ATOM 133 C HIS A 12 -1.561 1.058 -2.249 1.00 0.15 C ATOM 134 O HIS A 12 -1.301 1.065 -3.454 1.00 0.19 O ATOM 135 CB HIS A 12 -3.283 -0.681 -1.666 1.00 0.17 C ATOM 136 CG HIS A 12 -2.922 -1.466 -2.894 1.00 0.15 C ATOM 137 ND1 HIS A 12 -3.526 -1.289 -4.118 1.00 0.23 N ATOM 138 CD2 HIS A 12 -1.993 -2.434 -3.075 1.00 0.22 C ATOM 139 CE1 HIS A 12 -2.984 -2.116 -4.993 1.00 0.23 C ATOM 140 NE2 HIS A 12 -2.055 -2.818 -4.387 1.00 0.21 N ATOM 0 H HIS A 12 -3.762 1.428 -3.607 1.00 0.16 H new ATOM 0 HA HIS A 12 -3.069 1.258 -0.756 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.742 -1.095 -0.815 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.346 -0.816 -1.465 1.00 0.17 H new ATOM 0 HD2 HIS A 12 -1.326 -2.830 -2.323 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -3.259 -2.201 -6.034 1.00 0.23 H new ATOM 0 HE2 HIS A 12 -1.474 -3.534 -4.823 1.00 0.21 H new ATOM 149 N LEU A 13 -0.647 1.241 -1.309 1.00 0.15 N ATOM 150 CA LEU A 13 0.764 1.416 -1.621 1.00 0.14 C ATOM 151 C LEU A 13 1.532 0.214 -1.084 1.00 0.16 C ATOM 152 O LEU A 13 1.232 -0.272 0.005 1.00 0.24 O ATOM 153 CB LEU A 13 1.274 2.731 -0.999 1.00 0.15 C ATOM 154 CG LEU A 13 2.624 3.257 -1.509 1.00 0.15 C ATOM 155 CD1 LEU A 13 2.746 4.746 -1.231 1.00 0.16 C ATOM 156 CD2 LEU A 13 3.787 2.519 -0.861 1.00 0.18 C ATOM 0 H LEU A 13 -0.860 1.272 -0.312 1.00 0.15 H new ATOM 0 HA LEU A 13 0.914 1.478 -2.699 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.522 3.502 -1.169 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.349 2.591 0.079 1.00 0.15 H new ATOM 0 HG LEU A 13 2.664 3.083 -2.584 1.00 0.15 H new ATOM 0 HD11 LEU A 13 3.707 5.107 -1.597 1.00 0.16 H new ATOM 0 HD12 LEU A 13 1.941 5.278 -1.739 1.00 0.16 H new ATOM 0 HD13 LEU A 13 2.677 4.923 -0.158 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.728 2.915 -1.243 1.00 0.18 H new ATOM 0 HD22 LEU A 13 3.748 2.656 0.220 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.719 1.456 -1.095 1.00 0.18 H new ATOM 168 N LEU A 14 2.484 -0.288 -1.857 1.00 0.13 N ATOM 169 CA LEU A 14 3.266 -1.451 -1.448 1.00 0.14 C ATOM 170 C LEU A 14 4.751 -1.133 -1.395 1.00 0.16 C ATOM 171 O LEU A 14 5.278 -0.459 -2.272 1.00 0.27 O ATOM 172 CB LEU A 14 3.021 -2.615 -2.414 1.00 0.16 C ATOM 173 CG LEU A 14 4.053 -3.753 -2.379 1.00 0.20 C ATOM 174 CD1 LEU A 14 4.021 -4.504 -1.053 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.808 -4.713 -3.524 1.00 0.27 C ATOM 0 H LEU A 14 2.735 0.090 -2.771 1.00 0.13 H new ATOM 0 HA LEU A 14 2.944 -1.733 -0.446 1.00 0.14 H new ATOM 0 HB2 LEU A 14 2.039 -3.036 -2.201 1.00 0.16 H new ATOM 0 HB3 LEU A 14 2.984 -2.217 -3.428 1.00 0.16 H new ATOM 0 HG LEU A 14 5.042 -3.306 -2.484 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.765 -5.301 -1.068 1.00 0.18 H new ATOM 0 HD12 LEU A 14 4.244 -3.814 -0.239 1.00 0.18 H new ATOM 0 HD13 LEU A 14 3.031 -4.935 -0.903 1.00 0.18 H new ATOM 0 HD21 LEU A 14 4.545 -5.516 -3.490 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.807 -5.135 -3.437 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.896 -4.180 -4.471 1.00 0.27 H new ATOM 187 N VAL A 15 5.408 -1.616 -0.352 1.00 0.13 N ATOM 188 CA VAL A 15 6.854 -1.528 -0.244 1.00 0.13 C ATOM 189 C VAL A 15 7.451 -2.932 -0.157 1.00 0.13 C ATOM 190 O VAL A 15 7.035 -3.745 0.677 1.00 0.15 O ATOM 191 CB VAL A 15 7.294 -0.708 0.993 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.806 -0.549 1.028 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.617 0.654 1.011 1.00 0.15 C ATOM 0 H VAL A 15 4.957 -2.077 0.438 1.00 0.13 H new ATOM 0 HA VAL A 15 7.219 -1.016 -1.134 1.00 0.13 H new ATOM 0 HB VAL A 15 6.985 -1.256 1.883 1.00 0.13 H new ATOM 0 HG11 VAL A 15 9.091 0.031 1.906 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.274 -1.532 1.075 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.138 -0.031 0.128 1.00 0.13 H new ATOM 0 HG21 VAL A 15 6.943 1.211 1.890 1.00 0.15 H new ATOM 0 HG22 VAL A 15 6.887 1.206 0.111 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.536 0.522 1.045 1.00 0.15 H new ATOM 203 N LYS A 16 8.398 -3.214 -1.035 1.00 0.15 N ATOM 204 CA LYS A 16 9.109 -4.484 -1.047 1.00 0.17 C ATOM 205 C LYS A 16 10.493 -4.305 -0.448 1.00 0.16 C ATOM 206 O LYS A 16 11.059 -3.211 -0.484 1.00 0.24 O ATOM 207 CB LYS A 16 9.255 -5.009 -2.478 1.00 0.23 C ATOM 208 CG LYS A 16 7.964 -5.503 -3.105 1.00 0.26 C ATOM 209 CD LYS A 16 7.446 -6.740 -2.398 1.00 0.37 C ATOM 210 CE LYS A 16 6.462 -7.507 -3.266 1.00 0.48 C ATOM 211 NZ LYS A 16 7.069 -7.930 -4.560 1.00 0.62 N ATOM 0 H LYS A 16 8.698 -2.566 -1.764 1.00 0.15 H new ATOM 0 HA LYS A 16 8.536 -5.200 -0.459 1.00 0.17 H new ATOM 0 HB2 LYS A 16 9.666 -4.215 -3.102 1.00 0.23 H new ATOM 0 HB3 LYS A 16 9.979 -5.823 -2.480 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.212 -4.715 -3.062 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.131 -5.727 -4.159 1.00 0.26 H new ATOM 0 HD2 LYS A 16 8.283 -7.387 -2.136 1.00 0.37 H new ATOM 0 HD3 LYS A 16 6.962 -6.451 -1.465 1.00 0.37 H new ATOM 0 HE2 LYS A 16 6.111 -8.386 -2.726 1.00 0.48 H new ATOM 0 HE3 LYS A 16 5.589 -6.884 -3.462 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 6.486 -8.677 -4.989 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 7.116 -7.115 -5.204 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 8.029 -8.294 -4.391 1.00 0.62 H new ATOM 225 N PHE A 17 11.043 -5.383 0.076 1.00 0.17 N ATOM 226 CA PHE A 17 12.327 -5.333 0.747 1.00 0.17 C ATOM 227 C PHE A 17 13.032 -6.676 0.629 1.00 0.19 C ATOM 228 O PHE A 17 12.415 -7.671 0.257 1.00 0.21 O ATOM 229 CB PHE A 17 12.157 -4.907 2.216 1.00 0.17 C ATOM 230 CG PHE A 17 11.258 -5.789 3.046 1.00 0.17 C ATOM 231 CD1 PHE A 17 11.735 -6.961 3.618 1.00 0.19 C ATOM 232 CD2 PHE A 17 9.941 -5.427 3.278 1.00 0.20 C ATOM 233 CE1 PHE A 17 10.913 -7.752 4.400 1.00 0.23 C ATOM 234 CE2 PHE A 17 9.117 -6.212 4.063 1.00 0.23 C ATOM 235 CZ PHE A 17 9.602 -7.376 4.624 1.00 0.25 C ATOM 0 H PHE A 17 10.617 -6.310 0.049 1.00 0.17 H new ATOM 0 HA PHE A 17 12.951 -4.583 0.262 1.00 0.17 H new ATOM 0 HB2 PHE A 17 13.141 -4.877 2.684 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.762 -3.891 2.239 1.00 0.17 H new ATOM 0 HD1 PHE A 17 12.760 -7.258 3.450 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.553 -4.519 2.840 1.00 0.20 H new ATOM 0 HE1 PHE A 17 11.295 -8.663 4.836 1.00 0.23 H new ATOM 0 HE2 PHE A 17 8.094 -5.914 4.237 1.00 0.23 H new ATOM 0 HZ PHE A 17 8.959 -7.991 5.236 1.00 0.25 H new ATOM 245 N SER A 18 14.334 -6.682 0.866 1.00 0.22 N ATOM 246 CA SER A 18 15.128 -7.884 0.849 1.00 0.26 C ATOM 247 C SER A 18 14.463 -9.006 1.648 1.00 0.30 C ATOM 248 O SER A 18 14.376 -8.939 2.874 1.00 0.30 O ATOM 249 CB SER A 18 16.478 -7.531 1.451 1.00 0.29 C ATOM 250 OG SER A 18 17.473 -8.438 1.070 1.00 1.04 O ATOM 0 H SER A 18 14.868 -5.839 1.077 1.00 0.22 H new ATOM 0 HA SER A 18 15.235 -8.250 -0.172 1.00 0.26 H new ATOM 0 HB2 SER A 18 16.763 -6.527 1.138 1.00 0.29 H new ATOM 0 HB3 SER A 18 16.398 -7.516 2.538 1.00 0.29 H new ATOM 0 HG SER A 18 18.260 -7.947 0.754 1.00 1.04 H new ATOM 256 N GLY A 19 13.981 -10.030 0.948 1.00 0.35 N ATOM 257 CA GLY A 19 13.383 -11.161 1.625 1.00 0.45 C ATOM 258 C GLY A 19 11.874 -11.053 1.773 1.00 0.42 C ATOM 259 O GLY A 19 11.270 -11.847 2.492 1.00 0.53 O ATOM 0 H GLY A 19 13.995 -10.094 -0.070 1.00 0.35 H new ATOM 0 HA2 GLY A 19 13.622 -12.071 1.074 1.00 0.45 H new ATOM 0 HA3 GLY A 19 13.831 -11.260 2.614 1.00 0.45 H new ATOM 263 N SER A 20 11.254 -10.083 1.102 1.00 0.34 N ATOM 264 CA SER A 20 9.827 -9.835 1.264 1.00 0.41 C ATOM 265 C SER A 20 8.996 -10.793 0.411 1.00 0.40 C ATOM 266 O SER A 20 8.092 -10.361 -0.309 1.00 0.45 O ATOM 267 CB SER A 20 9.503 -8.383 0.892 1.00 0.51 C ATOM 268 OG SER A 20 9.833 -8.102 -0.461 1.00 0.70 O ATOM 0 H SER A 20 11.719 -9.459 0.443 1.00 0.34 H new ATOM 0 HA SER A 20 9.570 -10.007 2.309 1.00 0.41 H new ATOM 0 HB2 SER A 20 8.442 -8.193 1.055 1.00 0.51 H new ATOM 0 HB3 SER A 20 10.052 -7.708 1.548 1.00 0.51 H new ATOM 0 HG SER A 20 10.807 -8.047 -0.555 1.00 0.70 H new ATOM 274 N ARG A 21 9.337 -12.084 0.470 1.00 0.43 N ATOM 275 CA ARG A 21 8.657 -13.145 -0.287 1.00 0.49 C ATOM 276 C ARG A 21 8.942 -13.022 -1.787 1.00 0.51 C ATOM 277 O ARG A 21 9.102 -14.021 -2.484 1.00 0.60 O ATOM 278 CB ARG A 21 7.150 -13.107 -0.005 1.00 0.58 C ATOM 279 CG ARG A 21 6.331 -14.125 -0.779 1.00 1.25 C ATOM 280 CD ARG A 21 4.876 -14.082 -0.346 1.00 1.25 C ATOM 281 NE ARG A 21 4.026 -14.951 -1.156 1.00 2.28 N ATOM 282 CZ ARG A 21 3.076 -15.741 -0.660 1.00 2.47 C ATOM 283 NH1 ARG A 21 2.903 -15.850 0.653 1.00 1.89 N ATOM 284 NH2 ARG A 21 2.303 -16.435 -1.483 1.00 3.49 N ATOM 0 H ARG A 21 10.102 -12.428 1.051 1.00 0.43 H new ATOM 0 HA ARG A 21 9.046 -14.109 0.040 1.00 0.49 H new ATOM 0 HB2 ARG A 21 6.990 -13.268 1.061 1.00 0.58 H new ATOM 0 HB3 ARG A 21 6.776 -12.110 -0.236 1.00 0.58 H new ATOM 0 HG2 ARG A 21 6.404 -13.922 -1.847 1.00 1.25 H new ATOM 0 HG3 ARG A 21 6.735 -15.124 -0.616 1.00 1.25 H new ATOM 0 HD2 ARG A 21 4.803 -14.380 0.700 1.00 1.25 H new ATOM 0 HD3 ARG A 21 4.511 -13.057 -0.412 1.00 1.25 H new ATOM 0 HE ARG A 21 4.169 -14.953 -2.166 1.00 2.28 H new ATOM 0 HH11 ARG A 21 3.501 -15.326 1.291 1.00 1.89 H new ATOM 0 HH12 ARG A 21 2.172 -16.458 1.022 1.00 1.89 H new ATOM 0 HH21 ARG A 21 2.437 -16.363 -2.492 1.00 3.49 H new ATOM 0 HH22 ARG A 21 1.574 -17.042 -1.108 1.00 3.49 H new ATOM 298 N ASN A 22 9.029 -11.789 -2.258 1.00 0.51 N ATOM 299 CA ASN A 22 9.402 -11.479 -3.625 1.00 0.62 C ATOM 300 C ASN A 22 10.085 -10.123 -3.648 1.00 0.58 C ATOM 301 O ASN A 22 9.425 -9.093 -3.486 1.00 0.64 O ATOM 302 CB ASN A 22 8.189 -11.425 -4.554 1.00 0.87 C ATOM 303 CG ASN A 22 7.441 -12.738 -4.659 1.00 0.93 C ATOM 304 OD1 ASN A 22 6.348 -12.858 -3.918 1.00 1.77 O flip ATOM 305 ND2 ASN A 22 7.817 -13.619 -5.429 1.00 0.80 N flip ATOM 0 H ASN A 22 8.839 -10.963 -1.691 1.00 0.51 H new ATOM 0 HA ASN A 22 10.066 -12.268 -3.978 1.00 0.62 H new ATOM 0 HB2 ASN A 22 7.504 -10.655 -4.198 1.00 0.87 H new ATOM 0 HB3 ASN A 22 8.518 -11.124 -5.549 1.00 0.87 H new ATOM 0 HD21 ASN A 22 8.664 -13.486 -5.981 1.00 0.80 H new ATOM 0 HD22 ASN A 22 7.282 -14.483 -5.516 1.00 0.80 H new ATOM 312 N PRO A 23 11.413 -10.107 -3.797 1.00 0.55 N ATOM 313 CA PRO A 23 12.196 -8.868 -3.894 1.00 0.61 C ATOM 314 C PRO A 23 11.853 -8.041 -5.142 1.00 0.79 C ATOM 315 O PRO A 23 10.830 -8.264 -5.787 1.00 1.71 O ATOM 316 CB PRO A 23 13.647 -9.362 -3.974 1.00 0.66 C ATOM 317 CG PRO A 23 13.610 -10.760 -3.463 1.00 0.73 C ATOM 318 CD PRO A 23 12.269 -11.299 -3.854 1.00 0.57 C ATOM 0 HA PRO A 23 11.997 -8.206 -3.051 1.00 0.61 H new ATOM 0 HB2 PRO A 23 14.020 -9.326 -4.998 1.00 0.66 H new ATOM 0 HB3 PRO A 23 14.309 -8.740 -3.372 1.00 0.66 H new ATOM 0 HG2 PRO A 23 14.413 -11.356 -3.896 1.00 0.73 H new ATOM 0 HG3 PRO A 23 13.742 -10.785 -2.381 1.00 0.73 H new ATOM 0 HD2 PRO A 23 12.285 -11.739 -4.851 1.00 0.57 H new ATOM 0 HD3 PRO A 23 11.929 -12.075 -3.168 1.00 0.57 H new ATOM 326 N VAL A 24 12.745 -7.109 -5.480 1.00 0.39 N ATOM 327 CA VAL A 24 12.545 -6.162 -6.585 1.00 0.36 C ATOM 328 C VAL A 24 11.402 -5.190 -6.293 1.00 0.32 C ATOM 329 O VAL A 24 10.252 -5.585 -6.096 1.00 0.35 O ATOM 330 CB VAL A 24 12.292 -6.856 -7.941 1.00 0.42 C ATOM 331 CG1 VAL A 24 12.215 -5.822 -9.061 1.00 0.43 C ATOM 332 CG2 VAL A 24 13.379 -7.880 -8.226 1.00 0.48 C ATOM 0 H VAL A 24 13.633 -6.987 -4.994 1.00 0.39 H new ATOM 0 HA VAL A 24 13.481 -5.609 -6.664 1.00 0.36 H new ATOM 0 HB VAL A 24 11.337 -7.379 -7.891 1.00 0.42 H new ATOM 0 HG11 VAL A 24 12.036 -6.327 -10.010 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.399 -5.128 -8.860 1.00 0.43 H new ATOM 0 HG13 VAL A 24 13.155 -5.272 -9.114 1.00 0.43 H new ATOM 0 HG21 VAL A 24 13.185 -8.359 -9.185 1.00 0.48 H new ATOM 0 HG22 VAL A 24 14.348 -7.382 -8.259 1.00 0.48 H new ATOM 0 HG23 VAL A 24 13.384 -8.634 -7.438 1.00 0.48 H new ATOM 342 N SER A 25 11.737 -3.915 -6.270 1.00 0.32 N ATOM 343 CA SER A 25 10.782 -2.868 -5.994 1.00 0.32 C ATOM 344 C SER A 25 10.377 -2.197 -7.302 1.00 0.32 C ATOM 345 O SER A 25 11.145 -2.192 -8.257 1.00 0.36 O ATOM 346 CB SER A 25 11.448 -1.876 -5.034 1.00 0.42 C ATOM 347 OG SER A 25 10.802 -0.622 -5.022 1.00 1.12 O ATOM 0 H SER A 25 12.684 -3.578 -6.443 1.00 0.32 H new ATOM 0 HA SER A 25 9.877 -3.263 -5.533 1.00 0.32 H new ATOM 0 HB2 SER A 25 11.446 -2.292 -4.027 1.00 0.42 H new ATOM 0 HB3 SER A 25 12.491 -1.742 -5.321 1.00 0.42 H new ATOM 0 HG SER A 25 9.831 -0.754 -5.046 1.00 1.12 H new ATOM 353 N ARG A 26 9.170 -1.650 -7.347 1.00 0.32 N ATOM 354 CA ARG A 26 8.705 -0.906 -8.510 1.00 0.34 C ATOM 355 C ARG A 26 9.297 0.495 -8.448 1.00 0.37 C ATOM 356 O ARG A 26 9.233 1.268 -9.407 1.00 0.44 O ATOM 357 CB ARG A 26 7.178 -0.846 -8.532 1.00 0.39 C ATOM 358 CG ARG A 26 6.582 -0.444 -9.868 1.00 0.52 C ATOM 359 CD ARG A 26 6.957 -1.423 -10.969 1.00 0.82 C ATOM 360 NE ARG A 26 6.502 -2.782 -10.676 1.00 1.21 N ATOM 361 CZ ARG A 26 6.251 -3.701 -11.607 1.00 1.88 C ATOM 362 NH1 ARG A 26 6.414 -3.415 -12.892 1.00 2.47 N ATOM 363 NH2 ARG A 26 5.835 -4.909 -11.249 1.00 2.54 N ATOM 0 H ARG A 26 8.492 -1.708 -6.587 1.00 0.32 H new ATOM 0 HA ARG A 26 9.028 -1.404 -9.424 1.00 0.34 H new ATOM 0 HB2 ARG A 26 6.785 -1.824 -8.253 1.00 0.39 H new ATOM 0 HB3 ARG A 26 6.844 -0.139 -7.772 1.00 0.39 H new ATOM 0 HG2 ARG A 26 5.497 -0.392 -9.781 1.00 0.52 H new ATOM 0 HG3 ARG A 26 6.928 0.554 -10.135 1.00 0.52 H new ATOM 0 HD2 ARG A 26 6.522 -1.091 -11.912 1.00 0.82 H new ATOM 0 HD3 ARG A 26 8.039 -1.424 -11.100 1.00 0.82 H new ATOM 0 HE ARG A 26 6.369 -3.042 -9.699 1.00 1.21 H new ATOM 0 HH11 ARG A 26 6.733 -2.487 -13.172 1.00 2.47 H new ATOM 0 HH12 ARG A 26 6.220 -4.123 -13.601 1.00 2.47 H new ATOM 0 HH21 ARG A 26 5.708 -5.133 -10.262 1.00 2.54 H new ATOM 0 HH22 ARG A 26 5.642 -5.614 -11.961 1.00 2.54 H new ATOM 377 N ARG A 27 9.873 0.805 -7.291 1.00 0.36 N ATOM 378 CA ARG A 27 10.604 2.039 -7.091 1.00 0.44 C ATOM 379 C ARG A 27 12.008 1.891 -7.665 1.00 0.53 C ATOM 380 O ARG A 27 12.512 2.787 -8.345 1.00 0.73 O ATOM 381 CB ARG A 27 10.710 2.358 -5.598 1.00 0.52 C ATOM 382 CG ARG A 27 10.879 3.834 -5.292 1.00 0.55 C ATOM 383 CD ARG A 27 11.637 4.066 -3.992 1.00 0.70 C ATOM 384 NE ARG A 27 13.061 3.762 -4.124 1.00 0.91 N ATOM 385 CZ ARG A 27 13.897 3.627 -3.093 1.00 1.12 C ATOM 386 NH1 ARG A 27 13.463 3.781 -1.847 1.00 1.77 N ATOM 387 NH2 ARG A 27 15.178 3.353 -3.309 1.00 1.63 N ATOM 0 H ARG A 27 9.843 0.203 -6.468 1.00 0.36 H new ATOM 0 HA ARG A 27 10.074 2.848 -7.594 1.00 0.44 H new ATOM 0 HB2 ARG A 27 9.814 1.994 -5.095 1.00 0.52 H new ATOM 0 HB3 ARG A 27 11.555 1.812 -5.180 1.00 0.52 H new ATOM 0 HG2 ARG A 27 11.411 4.315 -6.112 1.00 0.55 H new ATOM 0 HG3 ARG A 27 9.898 4.305 -5.228 1.00 0.55 H new ATOM 0 HD2 ARG A 27 11.516 5.104 -3.682 1.00 0.70 H new ATOM 0 HD3 ARG A 27 11.206 3.446 -3.206 1.00 0.70 H new ATOM 0 HE ARG A 27 13.439 3.646 -5.064 1.00 0.91 H new ATOM 0 HH11 ARG A 27 12.483 4.004 -1.672 1.00 1.77 H new ATOM 0 HH12 ARG A 27 14.110 3.676 -1.065 1.00 1.77 H new ATOM 0 HH21 ARG A 27 15.523 3.246 -4.263 1.00 1.63 H new ATOM 0 HH22 ARG A 27 15.817 3.250 -2.521 1.00 1.63 H new ATOM 401 N THR A 28 12.632 0.745 -7.396 1.00 0.45 N ATOM 402 CA THR A 28 14.011 0.521 -7.802 1.00 0.53 C ATOM 403 C THR A 28 14.078 -0.124 -9.183 1.00 0.55 C ATOM 404 O THR A 28 14.998 0.135 -9.955 1.00 0.67 O ATOM 405 CB THR A 28 14.757 -0.372 -6.785 1.00 0.55 C ATOM 406 OG1 THR A 28 14.253 -1.715 -6.824 1.00 0.55 O ATOM 407 CG2 THR A 28 14.593 0.163 -5.373 1.00 0.53 C ATOM 0 H THR A 28 12.204 -0.037 -6.901 1.00 0.45 H new ATOM 0 HA THR A 28 14.496 1.496 -7.839 1.00 0.53 H new ATOM 0 HB THR A 28 15.812 -0.365 -7.059 1.00 0.55 H new ATOM 0 HG1 THR A 28 14.826 -2.295 -6.281 1.00 0.55 H new ATOM 0 HG21 THR A 28 15.127 -0.482 -4.675 1.00 0.53 H new ATOM 0 HG22 THR A 28 14.999 1.173 -5.317 1.00 0.53 H new ATOM 0 HG23 THR A 28 13.535 0.183 -5.112 1.00 0.53 H new ATOM 415 N GLY A 29 13.101 -0.967 -9.480 1.00 0.47 N ATOM 416 CA GLY A 29 13.011 -1.598 -10.785 1.00 0.52 C ATOM 417 C GLY A 29 13.908 -2.813 -10.923 1.00 0.58 C ATOM 418 O GLY A 29 13.548 -3.788 -11.579 1.00 0.82 O ATOM 0 H GLY A 29 12.358 -1.230 -8.832 1.00 0.47 H new ATOM 0 HA2 GLY A 29 11.978 -1.894 -10.968 1.00 0.52 H new ATOM 0 HA3 GLY A 29 13.275 -0.870 -11.552 1.00 0.52 H new ATOM 422 N ASP A 30 15.073 -2.760 -10.300 1.00 0.53 N ATOM 423 CA ASP A 30 16.058 -3.821 -10.428 1.00 0.58 C ATOM 424 C ASP A 30 16.004 -4.749 -9.226 1.00 0.55 C ATOM 425 O ASP A 30 15.669 -5.924 -9.354 1.00 0.84 O ATOM 426 CB ASP A 30 17.468 -3.241 -10.572 1.00 0.67 C ATOM 427 CG ASP A 30 17.623 -2.370 -11.804 1.00 1.31 C ATOM 428 OD1 ASP A 30 17.659 -2.920 -12.925 1.00 1.69 O ATOM 429 OD2 ASP A 30 17.701 -1.132 -11.661 1.00 2.10 O ATOM 0 H ASP A 30 15.361 -1.989 -9.697 1.00 0.53 H new ATOM 0 HA ASP A 30 15.821 -4.391 -11.326 1.00 0.58 H new ATOM 0 HB2 ASP A 30 17.706 -2.654 -9.685 1.00 0.67 H new ATOM 0 HB3 ASP A 30 18.189 -4.057 -10.617 1.00 0.67 H new ATOM 434 N SER A 31 16.323 -4.214 -8.056 1.00 0.53 N ATOM 435 CA SER A 31 16.338 -5.009 -6.842 1.00 0.50 C ATOM 436 C SER A 31 16.099 -4.149 -5.604 1.00 0.42 C ATOM 437 O SER A 31 16.408 -2.957 -5.593 1.00 0.48 O ATOM 438 CB SER A 31 17.670 -5.752 -6.735 1.00 0.62 C ATOM 439 OG SER A 31 18.752 -4.916 -7.113 1.00 1.08 O ATOM 0 H SER A 31 16.574 -3.234 -7.924 1.00 0.53 H new ATOM 0 HA SER A 31 15.524 -5.732 -6.894 1.00 0.50 H new ATOM 0 HB2 SER A 31 17.815 -6.100 -5.712 1.00 0.62 H new ATOM 0 HB3 SER A 31 17.649 -6.636 -7.372 1.00 0.62 H new ATOM 0 HG SER A 31 19.593 -5.413 -7.034 1.00 1.08 H new ATOM 445 N THR A 32 15.506 -4.751 -4.583 1.00 0.34 N ATOM 446 CA THR A 32 15.276 -4.076 -3.307 1.00 0.29 C ATOM 447 C THR A 32 15.893 -4.889 -2.162 1.00 0.27 C ATOM 448 O THR A 32 15.614 -4.669 -0.985 1.00 0.28 O ATOM 449 CB THR A 32 13.765 -3.819 -3.060 1.00 0.27 C ATOM 450 OG1 THR A 32 13.558 -3.096 -1.847 1.00 0.27 O ATOM 451 CG2 THR A 32 12.975 -5.114 -3.014 1.00 0.29 C ATOM 0 H THR A 32 15.172 -5.714 -4.611 1.00 0.34 H new ATOM 0 HA THR A 32 15.764 -3.102 -3.346 1.00 0.29 H new ATOM 0 HB THR A 32 13.407 -3.223 -3.899 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.646 -3.253 -1.524 1.00 0.27 H new ATOM 0 HG21 THR A 32 11.922 -4.892 -2.839 1.00 0.29 H new ATOM 0 HG22 THR A 32 13.082 -5.640 -3.963 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.352 -5.742 -2.207 1.00 0.29 H new ATOM 459 N ALA A 33 16.752 -5.831 -2.530 1.00 0.31 N ATOM 460 CA ALA A 33 17.480 -6.656 -1.569 1.00 0.32 C ATOM 461 C ALA A 33 18.437 -5.844 -0.684 1.00 0.34 C ATOM 462 O ALA A 33 19.071 -6.394 0.216 1.00 0.37 O ATOM 463 CB ALA A 33 18.242 -7.751 -2.290 1.00 0.37 C ATOM 0 H ALA A 33 16.965 -6.046 -3.504 1.00 0.31 H new ATOM 0 HA ALA A 33 16.735 -7.097 -0.907 1.00 0.32 H new ATOM 0 HB1 ALA A 33 18.780 -8.359 -1.563 1.00 0.37 H new ATOM 0 HB2 ALA A 33 17.542 -8.379 -2.841 1.00 0.37 H new ATOM 0 HB3 ALA A 33 18.952 -7.303 -2.985 1.00 0.37 H new ATOM 469 N ASP A 34 18.555 -4.553 -0.948 1.00 0.35 N ATOM 470 CA ASP A 34 19.437 -3.691 -0.161 1.00 0.40 C ATOM 471 C ASP A 34 18.687 -3.098 1.022 1.00 0.36 C ATOM 472 O ASP A 34 19.286 -2.748 2.038 1.00 0.43 O ATOM 473 CB ASP A 34 20.015 -2.554 -1.012 1.00 0.49 C ATOM 474 CG ASP A 34 20.905 -3.042 -2.132 1.00 1.29 C ATOM 475 OD1 ASP A 34 21.960 -3.651 -1.840 1.00 1.31 O ATOM 476 OD2 ASP A 34 20.555 -2.830 -3.312 1.00 2.21 O ATOM 0 H ASP A 34 18.055 -4.075 -1.698 1.00 0.35 H new ATOM 0 HA ASP A 34 20.258 -4.310 0.199 1.00 0.40 H new ATOM 0 HB2 ASP A 34 19.196 -1.973 -1.435 1.00 0.49 H new ATOM 0 HB3 ASP A 34 20.585 -1.882 -0.370 1.00 0.49 H new ATOM 481 N VAL A 35 17.375 -2.997 0.885 1.00 0.31 N ATOM 482 CA VAL A 35 16.532 -2.421 1.922 1.00 0.28 C ATOM 483 C VAL A 35 15.823 -3.531 2.699 1.00 0.25 C ATOM 484 O VAL A 35 15.383 -4.522 2.121 1.00 0.25 O ATOM 485 CB VAL A 35 15.522 -1.394 1.329 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.377 -1.565 -0.177 1.00 0.28 C ATOM 487 CG2 VAL A 35 14.161 -1.489 2.006 1.00 0.26 C ATOM 0 H VAL A 35 16.866 -3.309 0.058 1.00 0.31 H new ATOM 0 HA VAL A 35 17.166 -1.871 2.618 1.00 0.28 H new ATOM 0 HB VAL A 35 15.927 -0.401 1.524 1.00 0.27 H new ATOM 0 HG11 VAL A 35 14.665 -0.833 -0.559 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.345 -1.414 -0.655 1.00 0.28 H new ATOM 0 HG13 VAL A 35 15.017 -2.570 -0.396 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.484 -0.757 1.566 1.00 0.26 H new ATOM 0 HG22 VAL A 35 13.754 -2.490 1.866 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.270 -1.287 3.072 1.00 0.26 H new ATOM 497 N THR A 36 15.744 -3.365 4.014 1.00 0.25 N ATOM 498 CA THR A 36 15.177 -4.377 4.888 1.00 0.27 C ATOM 499 C THR A 36 13.751 -4.021 5.252 1.00 0.23 C ATOM 500 O THR A 36 13.245 -2.993 4.809 1.00 0.20 O ATOM 501 CB THR A 36 15.996 -4.500 6.180 1.00 0.31 C ATOM 502 OG1 THR A 36 16.185 -3.197 6.749 1.00 0.30 O ATOM 503 CG2 THR A 36 17.342 -5.157 5.914 1.00 0.39 C ATOM 0 H THR A 36 16.070 -2.529 4.499 1.00 0.25 H new ATOM 0 HA THR A 36 15.197 -5.326 4.352 1.00 0.27 H new ATOM 0 HB THR A 36 15.449 -5.130 6.882 1.00 0.31 H new ATOM 0 HG1 THR A 36 16.706 -3.273 7.575 1.00 0.30 H new ATOM 0 HG21 THR A 36 17.901 -5.231 6.847 1.00 0.39 H new ATOM 0 HG22 THR A 36 17.185 -6.155 5.504 1.00 0.39 H new ATOM 0 HG23 THR A 36 17.905 -4.556 5.200 1.00 0.39 H new ATOM 511 N TYR A 37 13.103 -4.837 6.071 1.00 0.26 N ATOM 512 CA TYR A 37 11.753 -4.524 6.509 1.00 0.27 C ATOM 513 C TYR A 37 11.757 -3.228 7.319 1.00 0.23 C ATOM 514 O TYR A 37 10.800 -2.463 7.279 1.00 0.23 O ATOM 515 CB TYR A 37 11.140 -5.681 7.317 1.00 0.38 C ATOM 516 CG TYR A 37 11.646 -5.812 8.737 1.00 0.44 C ATOM 517 CD1 TYR A 37 12.928 -6.275 9.006 1.00 0.68 C ATOM 518 CD2 TYR A 37 10.829 -5.484 9.810 1.00 1.16 C ATOM 519 CE1 TYR A 37 13.383 -6.406 10.302 1.00 0.74 C ATOM 520 CE2 TYR A 37 11.278 -5.610 11.111 1.00 1.53 C ATOM 521 CZ TYR A 37 12.556 -6.072 11.351 1.00 1.12 C ATOM 522 OH TYR A 37 13.010 -6.201 12.644 1.00 1.50 O ATOM 0 H TYR A 37 13.484 -5.708 6.440 1.00 0.26 H new ATOM 0 HA TYR A 37 11.129 -4.384 5.626 1.00 0.27 H new ATOM 0 HB2 TYR A 37 10.058 -5.551 7.344 1.00 0.38 H new ATOM 0 HB3 TYR A 37 11.336 -6.615 6.790 1.00 0.38 H new ATOM 0 HD1 TYR A 37 13.580 -6.537 8.186 1.00 0.68 H new ATOM 0 HD2 TYR A 37 9.827 -5.125 9.625 1.00 1.16 H new ATOM 0 HE1 TYR A 37 14.382 -6.769 10.493 1.00 0.74 H new ATOM 0 HE2 TYR A 37 10.632 -5.348 11.936 1.00 1.53 H new ATOM 0 HH TYR A 37 12.306 -5.923 13.267 1.00 1.50 H new ATOM 532 N GLU A 38 12.864 -2.966 8.013 1.00 0.23 N ATOM 533 CA GLU A 38 12.996 -1.750 8.807 1.00 0.24 C ATOM 534 C GLU A 38 13.176 -0.540 7.904 1.00 0.24 C ATOM 535 O GLU A 38 12.530 0.490 8.104 1.00 0.26 O ATOM 536 CB GLU A 38 14.168 -1.858 9.781 1.00 0.29 C ATOM 537 CG GLU A 38 13.998 -2.963 10.804 1.00 0.35 C ATOM 538 CD GLU A 38 15.094 -2.967 11.843 1.00 0.67 C ATOM 539 OE1 GLU A 38 16.213 -3.421 11.535 1.00 0.96 O ATOM 540 OE2 GLU A 38 14.841 -2.528 12.979 1.00 0.93 O ATOM 0 H GLU A 38 13.679 -3.579 8.040 1.00 0.23 H new ATOM 0 HA GLU A 38 12.080 -1.625 9.384 1.00 0.24 H new ATOM 0 HB2 GLU A 38 15.085 -2.032 9.218 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.289 -0.907 10.300 1.00 0.29 H new ATOM 0 HG2 GLU A 38 13.034 -2.849 11.299 1.00 0.35 H new ATOM 0 HG3 GLU A 38 13.983 -3.926 10.294 1.00 0.35 H new ATOM 547 N ASP A 39 14.041 -0.664 6.900 1.00 0.24 N ATOM 548 CA ASP A 39 14.228 0.414 5.929 1.00 0.26 C ATOM 549 C ASP A 39 12.975 0.592 5.090 1.00 0.22 C ATOM 550 O ASP A 39 12.686 1.683 4.601 1.00 0.23 O ATOM 551 CB ASP A 39 15.427 0.155 5.019 1.00 0.31 C ATOM 552 CG ASP A 39 16.640 0.961 5.428 1.00 0.61 C ATOM 553 OD1 ASP A 39 16.549 2.204 5.469 1.00 0.91 O ATOM 554 OD2 ASP A 39 17.694 0.350 5.711 1.00 0.82 O ATOM 0 H ASP A 39 14.618 -1.489 6.737 1.00 0.24 H new ATOM 0 HA ASP A 39 14.423 1.328 6.490 1.00 0.26 H new ATOM 0 HB2 ASP A 39 15.674 -0.906 5.040 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.160 0.400 3.991 1.00 0.31 H new ATOM 559 N ALA A 40 12.240 -0.495 4.932 1.00 0.19 N ATOM 560 CA ALA A 40 10.963 -0.472 4.237 1.00 0.18 C ATOM 561 C ALA A 40 9.927 0.285 5.058 1.00 0.16 C ATOM 562 O ALA A 40 9.174 1.097 4.523 1.00 0.17 O ATOM 563 CB ALA A 40 10.486 -1.889 3.948 1.00 0.18 C ATOM 0 H ALA A 40 12.509 -1.415 5.280 1.00 0.19 H new ATOM 0 HA ALA A 40 11.095 0.044 3.286 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.529 -1.852 3.428 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.219 -2.399 3.323 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.368 -2.432 4.886 1.00 0.18 H new ATOM 569 N ILE A 41 9.894 0.019 6.364 1.00 0.16 N ATOM 570 CA ILE A 41 9.037 0.773 7.272 1.00 0.18 C ATOM 571 C ILE A 41 9.460 2.227 7.277 1.00 0.20 C ATOM 572 O ILE A 41 8.625 3.131 7.287 1.00 0.21 O ATOM 573 CB ILE A 41 9.086 0.225 8.722 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.524 -1.196 8.788 1.00 0.24 C ATOM 575 CG2 ILE A 41 8.317 1.140 9.668 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.705 -1.863 10.134 1.00 0.30 C ATOM 0 H ILE A 41 10.449 -0.710 6.813 1.00 0.16 H new ATOM 0 HA ILE A 41 8.013 0.671 6.912 1.00 0.18 H new ATOM 0 HB ILE A 41 10.130 0.197 9.035 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.461 -1.168 8.547 1.00 0.24 H new ATOM 0 HG13 ILE A 41 9.008 -1.804 8.024 1.00 0.24 H new ATOM 0 HG21 ILE A 41 8.363 0.738 10.680 1.00 0.27 H new ATOM 0 HG22 ILE A 41 8.761 2.136 9.652 1.00 0.27 H new ATOM 0 HG23 ILE A 41 7.276 1.201 9.349 1.00 0.27 H new ATOM 0 HD11 ILE A 41 8.282 -2.867 10.102 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.767 -1.925 10.370 1.00 0.30 H new ATOM 0 HD13 ILE A 41 8.197 -1.279 10.901 1.00 0.30 H new ATOM 588 N LYS A 42 10.769 2.438 7.219 1.00 0.22 N ATOM 589 CA LYS A 42 11.327 3.775 7.195 1.00 0.28 C ATOM 590 C LYS A 42 10.835 4.520 5.963 1.00 0.28 C ATOM 591 O LYS A 42 10.744 5.741 5.956 1.00 0.37 O ATOM 592 CB LYS A 42 12.855 3.711 7.188 1.00 0.31 C ATOM 593 CG LYS A 42 13.525 5.045 7.476 1.00 0.85 C ATOM 594 CD LYS A 42 15.036 4.973 7.305 1.00 1.14 C ATOM 595 CE LYS A 42 15.475 5.335 5.891 1.00 1.46 C ATOM 596 NZ LYS A 42 15.018 4.350 4.874 1.00 2.32 N ATOM 0 H LYS A 42 11.464 1.692 7.188 1.00 0.22 H new ATOM 0 HA LYS A 42 11.001 4.307 8.089 1.00 0.28 H new ATOM 0 HB2 LYS A 42 13.182 2.983 7.930 1.00 0.31 H new ATOM 0 HB3 LYS A 42 13.190 3.349 6.216 1.00 0.31 H new ATOM 0 HG2 LYS A 42 13.120 5.806 6.808 1.00 0.85 H new ATOM 0 HG3 LYS A 42 13.290 5.357 8.494 1.00 0.85 H new ATOM 0 HD2 LYS A 42 15.513 5.649 8.015 1.00 1.14 H new ATOM 0 HD3 LYS A 42 15.379 3.966 7.543 1.00 1.14 H new ATOM 0 HE2 LYS A 42 15.085 6.321 5.636 1.00 1.46 H new ATOM 0 HE3 LYS A 42 16.562 5.404 5.860 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 15.469 4.560 3.961 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 15.281 3.391 5.177 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 13.985 4.410 4.772 1.00 2.32 H new ATOM 610 N GLU A 43 10.496 3.761 4.933 1.00 0.22 N ATOM 611 CA GLU A 43 10.042 4.337 3.683 1.00 0.25 C ATOM 612 C GLU A 43 8.541 4.550 3.727 1.00 0.18 C ATOM 613 O GLU A 43 8.045 5.648 3.464 1.00 0.18 O ATOM 614 CB GLU A 43 10.390 3.427 2.504 1.00 0.33 C ATOM 615 CG GLU A 43 9.966 4.017 1.171 1.00 0.34 C ATOM 616 CD GLU A 43 11.021 4.922 0.568 1.00 0.55 C ATOM 617 OE1 GLU A 43 11.645 5.697 1.321 1.00 1.02 O ATOM 618 OE2 GLU A 43 11.252 4.842 -0.656 1.00 0.94 O ATOM 0 H GLU A 43 10.528 2.742 4.941 1.00 0.22 H new ATOM 0 HA GLU A 43 10.546 5.294 3.547 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.465 3.247 2.493 1.00 0.33 H new ATOM 0 HB3 GLU A 43 9.906 2.460 2.640 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.746 3.208 0.474 1.00 0.34 H new ATOM 0 HG3 GLU A 43 9.043 4.581 1.306 1.00 0.34 H new ATOM 625 N LEU A 44 7.825 3.490 4.084 1.00 0.16 N ATOM 626 CA LEU A 44 6.374 3.516 4.085 1.00 0.15 C ATOM 627 C LEU A 44 5.858 4.571 5.056 1.00 0.14 C ATOM 628 O LEU A 44 4.884 5.261 4.769 1.00 0.16 O ATOM 629 CB LEU A 44 5.799 2.144 4.452 1.00 0.13 C ATOM 630 CG LEU A 44 4.281 2.021 4.272 1.00 0.15 C ATOM 631 CD1 LEU A 44 3.900 2.228 2.820 1.00 0.17 C ATOM 632 CD2 LEU A 44 3.785 0.672 4.748 1.00 0.14 C ATOM 0 H LEU A 44 8.231 2.601 4.377 1.00 0.16 H new ATOM 0 HA LEU A 44 6.045 3.770 3.077 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.287 1.385 3.841 1.00 0.13 H new ATOM 0 HB3 LEU A 44 6.048 1.926 5.491 1.00 0.13 H new ATOM 0 HG LEU A 44 3.809 2.795 4.877 1.00 0.15 H new ATOM 0 HD11 LEU A 44 2.819 2.137 2.711 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.215 3.221 2.499 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.391 1.475 2.204 1.00 0.17 H new ATOM 0 HD21 LEU A 44 2.706 0.611 4.609 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.270 -0.117 4.173 1.00 0.14 H new ATOM 0 HD23 LEU A 44 4.022 0.549 5.805 1.00 0.14 H new ATOM 644 N GLN A 45 6.537 4.706 6.191 1.00 0.14 N ATOM 645 CA GLN A 45 6.140 5.661 7.222 1.00 0.14 C ATOM 646 C GLN A 45 6.264 7.101 6.746 1.00 0.17 C ATOM 647 O GLN A 45 5.555 7.976 7.229 1.00 0.27 O ATOM 648 CB GLN A 45 6.968 5.450 8.487 1.00 0.16 C ATOM 649 CG GLN A 45 6.308 4.518 9.490 1.00 0.22 C ATOM 650 CD GLN A 45 5.311 5.237 10.378 1.00 0.36 C ATOM 651 OE1 GLN A 45 4.059 5.281 9.957 1.00 0.87 O flip ATOM 652 NE2 GLN A 45 5.664 5.747 11.441 1.00 0.44 N flip ATOM 0 H GLN A 45 7.369 4.163 6.421 1.00 0.14 H new ATOM 0 HA GLN A 45 5.089 5.480 7.445 1.00 0.14 H new ATOM 0 HB2 GLN A 45 7.942 5.045 8.212 1.00 0.16 H new ATOM 0 HB3 GLN A 45 7.146 6.415 8.961 1.00 0.16 H new ATOM 0 HG2 GLN A 45 5.801 3.714 8.956 1.00 0.22 H new ATOM 0 HG3 GLN A 45 7.075 4.055 10.111 1.00 0.22 H new ATOM 0 HE21 GLN A 45 6.640 5.693 11.733 1.00 0.44 H new ATOM 0 HE22 GLN A 45 4.981 6.224 12.030 1.00 0.44 H new ATOM 661 N LYS A 46 7.155 7.347 5.796 1.00 0.14 N ATOM 662 CA LYS A 46 7.330 8.690 5.259 1.00 0.17 C ATOM 663 C LYS A 46 6.266 8.986 4.214 1.00 0.18 C ATOM 664 O LYS A 46 5.669 10.059 4.208 1.00 0.21 O ATOM 665 CB LYS A 46 8.723 8.853 4.646 1.00 0.22 C ATOM 666 CG LYS A 46 9.856 8.693 5.645 1.00 0.27 C ATOM 667 CD LYS A 46 11.211 8.742 4.955 1.00 0.39 C ATOM 668 CE LYS A 46 12.344 8.462 5.930 1.00 0.49 C ATOM 669 NZ LYS A 46 12.464 9.522 6.963 1.00 1.31 N ATOM 0 H LYS A 46 7.764 6.640 5.383 1.00 0.14 H new ATOM 0 HA LYS A 46 7.227 9.399 6.081 1.00 0.17 H new ATOM 0 HB2 LYS A 46 8.847 8.119 3.850 1.00 0.22 H new ATOM 0 HB3 LYS A 46 8.794 9.838 4.185 1.00 0.22 H new ATOM 0 HG2 LYS A 46 9.798 9.483 6.394 1.00 0.27 H new ATOM 0 HG3 LYS A 46 9.748 7.745 6.172 1.00 0.27 H new ATOM 0 HD2 LYS A 46 11.236 8.011 4.147 1.00 0.39 H new ATOM 0 HD3 LYS A 46 11.354 9.723 4.501 1.00 0.39 H new ATOM 0 HE2 LYS A 46 12.175 7.501 6.415 1.00 0.49 H new ATOM 0 HE3 LYS A 46 13.283 8.382 5.382 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 13.308 9.346 7.544 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 12.549 10.450 6.500 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 11.619 9.513 7.569 1.00 1.31 H new ATOM 683 N TRP A 47 6.033 8.034 3.322 1.00 0.16 N ATOM 684 CA TRP A 47 5.002 8.188 2.309 1.00 0.19 C ATOM 685 C TRP A 47 3.611 8.247 2.930 1.00 0.19 C ATOM 686 O TRP A 47 2.830 9.133 2.595 1.00 0.22 O ATOM 687 CB TRP A 47 5.112 7.072 1.268 1.00 0.20 C ATOM 688 CG TRP A 47 6.436 7.111 0.571 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.357 6.105 0.467 1.00 0.18 C ATOM 690 CD2 TRP A 47 7.006 8.247 -0.085 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.463 6.556 -0.211 1.00 0.24 N ATOM 692 CE2 TRP A 47 8.269 7.863 -0.559 1.00 0.32 C ATOM 693 CE3 TRP A 47 6.568 9.554 -0.319 1.00 0.41 C ATOM 694 CZ2 TRP A 47 9.100 8.733 -1.245 1.00 0.43 C ATOM 695 CZ3 TRP A 47 7.396 10.419 -1.006 1.00 0.52 C ATOM 696 CH2 TRP A 47 8.651 10.006 -1.461 1.00 0.52 C ATOM 0 H TRP A 47 6.542 7.151 3.280 1.00 0.16 H new ATOM 0 HA TRP A 47 5.159 9.140 1.802 1.00 0.19 H new ATOM 0 HB2 TRP A 47 4.982 6.105 1.753 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.310 7.173 0.537 1.00 0.20 H new ATOM 0 HD1 TRP A 47 7.233 5.106 0.859 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.295 6.004 -0.421 1.00 0.24 H new ATOM 0 HE3 TRP A 47 5.600 9.881 0.031 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 10.070 8.416 -1.598 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 7.069 11.431 -1.195 1.00 0.52 H new ATOM 0 HH2 TRP A 47 9.278 10.706 -1.993 1.00 0.52 H new ATOM 707 N SER A 48 3.309 7.343 3.859 1.00 0.17 N ATOM 708 CA SER A 48 2.021 7.370 4.538 1.00 0.19 C ATOM 709 C SER A 48 1.897 8.636 5.380 1.00 0.20 C ATOM 710 O SER A 48 0.796 9.083 5.697 1.00 0.28 O ATOM 711 CB SER A 48 1.830 6.117 5.403 1.00 0.23 C ATOM 712 OG SER A 48 2.704 6.096 6.521 1.00 0.82 O ATOM 0 H SER A 48 3.932 6.592 4.155 1.00 0.17 H new ATOM 0 HA SER A 48 1.233 7.376 3.784 1.00 0.19 H new ATOM 0 HB2 SER A 48 0.798 6.072 5.751 1.00 0.23 H new ATOM 0 HB3 SER A 48 2.000 5.229 4.795 1.00 0.23 H new ATOM 0 HG SER A 48 3.627 5.983 6.212 1.00 0.82 H new ATOM 718 N GLN A 49 3.043 9.211 5.731 1.00 0.17 N ATOM 719 CA GLN A 49 3.088 10.480 6.439 1.00 0.17 C ATOM 720 C GLN A 49 2.697 11.605 5.500 1.00 0.18 C ATOM 721 O GLN A 49 1.750 12.339 5.757 1.00 0.21 O ATOM 722 CB GLN A 49 4.498 10.744 6.966 1.00 0.19 C ATOM 723 CG GLN A 49 4.584 11.925 7.909 1.00 0.23 C ATOM 724 CD GLN A 49 6.004 12.427 8.073 1.00 0.36 C ATOM 725 OE1 GLN A 49 6.745 11.963 8.939 1.00 0.53 O ATOM 726 NE2 GLN A 49 6.392 13.383 7.242 1.00 0.45 N ATOM 0 H GLN A 49 3.960 8.811 5.533 1.00 0.17 H new ATOM 0 HA GLN A 49 2.391 10.434 7.276 1.00 0.17 H new ATOM 0 HB2 GLN A 49 4.857 9.853 7.481 1.00 0.19 H new ATOM 0 HB3 GLN A 49 5.166 10.915 6.122 1.00 0.19 H new ATOM 0 HG2 GLN A 49 3.956 12.733 7.534 1.00 0.23 H new ATOM 0 HG3 GLN A 49 4.187 11.639 8.883 1.00 0.23 H new ATOM 0 HE21 GLN A 49 5.746 13.740 6.538 1.00 0.45 H new ATOM 0 HE22 GLN A 49 7.337 13.762 7.306 1.00 0.45 H new ATOM 735 N ARG A 50 3.427 11.711 4.399 1.00 0.16 N ATOM 736 CA ARG A 50 3.227 12.783 3.436 1.00 0.16 C ATOM 737 C ARG A 50 1.827 12.743 2.834 1.00 0.14 C ATOM 738 O ARG A 50 1.194 13.781 2.644 1.00 0.15 O ATOM 739 CB ARG A 50 4.260 12.694 2.319 1.00 0.15 C ATOM 740 CG ARG A 50 5.691 12.915 2.762 1.00 0.19 C ATOM 741 CD ARG A 50 6.629 12.787 1.579 1.00 0.20 C ATOM 742 NE ARG A 50 8.021 13.040 1.934 1.00 0.27 N ATOM 743 CZ ARG A 50 8.983 13.272 1.043 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.688 13.352 -0.250 1.00 0.35 N ATOM 745 NH2 ARG A 50 10.234 13.441 1.444 1.00 0.42 N ATOM 0 H ARG A 50 4.171 11.059 4.149 1.00 0.16 H new ATOM 0 HA ARG A 50 3.345 13.726 3.971 1.00 0.16 H new ATOM 0 HB2 ARG A 50 4.186 11.712 1.852 1.00 0.15 H new ATOM 0 HB3 ARG A 50 4.013 13.430 1.554 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.792 13.903 3.211 1.00 0.19 H new ATOM 0 HG3 ARG A 50 5.959 12.188 3.529 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.542 11.785 1.158 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.324 13.487 0.801 1.00 0.20 H new ATOM 0 HE ARG A 50 8.272 13.039 2.923 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.724 13.236 -0.561 1.00 0.35 H new ATOM 0 HH12 ARG A 50 9.426 13.530 -0.931 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.462 13.394 2.437 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.969 13.619 0.760 1.00 0.42 H new ATOM 759 N ILE A 51 1.361 11.544 2.515 1.00 0.13 N ATOM 760 CA ILE A 51 0.016 11.358 1.984 1.00 0.13 C ATOM 761 C ILE A 51 -1.037 11.811 3.002 1.00 0.16 C ATOM 762 O ILE A 51 -2.076 12.366 2.637 1.00 0.20 O ATOM 763 CB ILE A 51 -0.226 9.879 1.598 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.740 9.445 0.491 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.661 9.662 1.149 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.660 7.967 0.162 1.00 0.13 C ATOM 0 H ILE A 51 1.896 10.681 2.615 1.00 0.13 H new ATOM 0 HA ILE A 51 -0.075 11.971 1.087 1.00 0.13 H new ATOM 0 HB ILE A 51 -0.044 9.269 2.483 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.530 10.021 -0.410 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.759 9.687 0.794 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -1.805 8.615 0.883 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.340 9.927 1.959 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -1.869 10.288 0.282 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.371 7.731 -0.630 1.00 0.13 H new ATOM 0 HD12 ILE A 51 0.900 7.383 1.051 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.348 7.723 -0.172 1.00 0.13 H new ATOM 778 N ALA A 52 -0.747 11.592 4.279 1.00 0.16 N ATOM 779 CA ALA A 52 -1.659 11.976 5.350 1.00 0.20 C ATOM 780 C ALA A 52 -1.561 13.469 5.665 1.00 0.22 C ATOM 781 O ALA A 52 -2.567 14.113 5.967 1.00 0.27 O ATOM 782 CB ALA A 52 -1.370 11.157 6.598 1.00 0.21 C ATOM 0 H ALA A 52 0.115 11.149 4.599 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.676 11.774 5.012 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -2.056 11.451 7.393 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.503 10.098 6.377 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.344 11.335 6.920 1.00 0.21 H new ATOM 788 N SER A 53 -0.353 14.014 5.595 1.00 0.22 N ATOM 789 CA SER A 53 -0.113 15.406 5.957 1.00 0.26 C ATOM 790 C SER A 53 -0.524 16.356 4.837 1.00 0.28 C ATOM 791 O SER A 53 -0.922 17.496 5.090 1.00 0.35 O ATOM 792 CB SER A 53 1.367 15.602 6.284 1.00 0.28 C ATOM 793 OG SER A 53 2.177 15.151 5.212 1.00 0.26 O ATOM 0 H SER A 53 0.480 13.511 5.289 1.00 0.22 H new ATOM 0 HA SER A 53 -0.721 15.637 6.832 1.00 0.26 H new ATOM 0 HB2 SER A 53 1.566 16.656 6.479 1.00 0.28 H new ATOM 0 HB3 SER A 53 1.620 15.056 7.193 1.00 0.28 H new ATOM 0 HG SER A 53 3.103 15.056 5.519 1.00 0.26 H new ATOM 799 N GLY A 54 -0.432 15.884 3.603 1.00 0.25 N ATOM 800 CA GLY A 54 -0.785 16.712 2.469 1.00 0.28 C ATOM 801 C GLY A 54 0.430 17.136 1.672 1.00 0.26 C ATOM 802 O GLY A 54 0.320 17.931 0.737 1.00 0.30 O ATOM 0 H GLY A 54 -0.119 14.942 3.367 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.470 16.165 1.821 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -1.315 17.598 2.819 1.00 0.28 H new ATOM 806 N GLU A 55 1.590 16.601 2.045 1.00 0.23 N ATOM 807 CA GLU A 55 2.837 16.895 1.348 1.00 0.23 C ATOM 808 C GLU A 55 2.782 16.352 -0.079 1.00 0.20 C ATOM 809 O GLU A 55 3.104 17.055 -1.036 1.00 0.24 O ATOM 810 CB GLU A 55 4.021 16.300 2.117 1.00 0.24 C ATOM 811 CG GLU A 55 4.180 16.881 3.516 1.00 0.42 C ATOM 812 CD GLU A 55 5.207 16.145 4.357 1.00 0.46 C ATOM 813 OE1 GLU A 55 6.416 16.323 4.116 1.00 0.54 O ATOM 814 OE2 GLU A 55 4.806 15.389 5.271 1.00 0.65 O ATOM 0 H GLU A 55 1.691 15.958 2.831 1.00 0.23 H new ATOM 0 HA GLU A 55 2.972 17.975 1.296 1.00 0.23 H new ATOM 0 HB2 GLU A 55 3.892 15.220 2.191 1.00 0.24 H new ATOM 0 HB3 GLU A 55 4.937 16.473 1.552 1.00 0.24 H new ATOM 0 HG2 GLU A 55 4.469 17.929 3.436 1.00 0.42 H new ATOM 0 HG3 GLU A 55 3.217 16.854 4.025 1.00 0.42 H new ATOM 821 N VAL A 56 2.360 15.100 -0.214 1.00 0.17 N ATOM 822 CA VAL A 56 2.100 14.510 -1.523 1.00 0.15 C ATOM 823 C VAL A 56 0.804 13.722 -1.480 1.00 0.15 C ATOM 824 O VAL A 56 0.360 13.301 -0.411 1.00 0.19 O ATOM 825 CB VAL A 56 3.228 13.569 -2.016 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.475 14.353 -2.388 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.561 12.509 -0.983 1.00 0.15 C ATOM 0 H VAL A 56 2.190 14.471 0.571 1.00 0.17 H new ATOM 0 HA VAL A 56 2.040 15.343 -2.223 1.00 0.15 H new ATOM 0 HB VAL A 56 2.858 13.066 -2.909 1.00 0.15 H new ATOM 0 HG11 VAL A 56 5.249 13.665 -2.730 1.00 0.18 H new ATOM 0 HG12 VAL A 56 4.238 15.058 -3.185 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.835 14.899 -1.516 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.356 11.867 -1.363 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.892 12.989 -0.062 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.675 11.907 -0.780 1.00 0.15 H new ATOM 837 N SER A 57 0.192 13.542 -2.634 1.00 0.13 N ATOM 838 CA SER A 57 -1.021 12.759 -2.732 1.00 0.15 C ATOM 839 C SER A 57 -0.674 11.280 -2.773 1.00 0.15 C ATOM 840 O SER A 57 0.471 10.919 -3.065 1.00 0.18 O ATOM 841 CB SER A 57 -1.800 13.147 -3.991 1.00 0.22 C ATOM 842 OG SER A 57 -1.824 14.554 -4.160 1.00 0.97 O ATOM 0 H SER A 57 0.518 13.930 -3.519 1.00 0.13 H new ATOM 0 HA SER A 57 -1.643 12.958 -1.860 1.00 0.15 H new ATOM 0 HB2 SER A 57 -1.344 12.680 -4.864 1.00 0.22 H new ATOM 0 HB3 SER A 57 -2.820 12.768 -3.923 1.00 0.22 H new ATOM 0 HG SER A 57 -0.932 14.868 -4.417 1.00 0.97 H new ATOM 848 N PHE A 58 -1.646 10.428 -2.486 1.00 0.16 N ATOM 849 CA PHE A 58 -1.434 8.992 -2.560 1.00 0.16 C ATOM 850 C PHE A 58 -0.983 8.628 -3.971 1.00 0.18 C ATOM 851 O PHE A 58 -0.046 7.855 -4.162 1.00 0.19 O ATOM 852 CB PHE A 58 -2.724 8.249 -2.203 1.00 0.18 C ATOM 853 CG PHE A 58 -2.512 6.854 -1.684 1.00 0.17 C ATOM 854 CD1 PHE A 58 -1.957 5.874 -2.489 1.00 0.18 C ATOM 855 CD2 PHE A 58 -2.876 6.522 -0.389 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.770 4.593 -2.016 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.690 5.241 0.091 1.00 0.21 C ATOM 858 CZ PHE A 58 -2.135 4.276 -0.722 1.00 0.22 C ATOM 0 H PHE A 58 -2.585 10.705 -2.201 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.663 8.698 -1.847 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.265 8.825 -1.452 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.359 8.202 -3.088 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.667 6.116 -3.501 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.310 7.274 0.253 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.339 3.838 -2.656 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -2.979 4.995 1.102 1.00 0.21 H new ATOM 0 HZ PHE A 58 -1.986 3.274 -0.348 1.00 0.22 H new ATOM 868 N GLU A 59 -1.641 9.246 -4.945 1.00 0.20 N ATOM 869 CA GLU A 59 -1.349 9.036 -6.358 1.00 0.22 C ATOM 870 C GLU A 59 0.110 9.355 -6.686 1.00 0.24 C ATOM 871 O GLU A 59 0.755 8.632 -7.447 1.00 0.31 O ATOM 872 CB GLU A 59 -2.267 9.922 -7.197 1.00 0.27 C ATOM 873 CG GLU A 59 -3.744 9.660 -6.966 1.00 0.36 C ATOM 874 CD GLU A 59 -4.623 10.747 -7.546 1.00 0.87 C ATOM 875 OE1 GLU A 59 -4.467 11.069 -8.743 1.00 0.96 O ATOM 876 OE2 GLU A 59 -5.484 11.273 -6.815 1.00 1.72 O ATOM 0 H GLU A 59 -2.396 9.910 -4.776 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.521 7.985 -6.589 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -2.053 10.967 -6.973 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -2.040 9.769 -8.252 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -4.014 8.703 -7.412 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -3.932 9.578 -5.896 1.00 0.36 H new ATOM 883 N GLU A 60 0.625 10.435 -6.106 1.00 0.23 N ATOM 884 CA GLU A 60 1.992 10.864 -6.372 1.00 0.24 C ATOM 885 C GLU A 60 2.988 9.848 -5.831 1.00 0.23 C ATOM 886 O GLU A 60 3.938 9.465 -6.511 1.00 0.26 O ATOM 887 CB GLU A 60 2.261 12.240 -5.753 1.00 0.25 C ATOM 888 CG GLU A 60 1.338 13.329 -6.274 1.00 0.29 C ATOM 889 CD GLU A 60 1.561 14.663 -5.591 1.00 1.18 C ATOM 890 OE1 GLU A 60 2.575 15.327 -5.890 1.00 1.24 O ATOM 891 OE2 GLU A 60 0.724 15.052 -4.754 1.00 2.09 O ATOM 0 H GLU A 60 0.116 11.028 -5.450 1.00 0.23 H new ATOM 0 HA GLU A 60 2.116 10.937 -7.452 1.00 0.24 H new ATOM 0 HB2 GLU A 60 2.153 12.170 -4.671 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.294 12.524 -5.953 1.00 0.25 H new ATOM 0 HG2 GLU A 60 1.490 13.445 -7.347 1.00 0.29 H new ATOM 0 HG3 GLU A 60 0.302 13.021 -6.130 1.00 0.29 H new ATOM 898 N ALA A 61 2.757 9.402 -4.607 1.00 0.22 N ATOM 899 CA ALA A 61 3.648 8.446 -3.974 1.00 0.23 C ATOM 900 C ALA A 61 3.526 7.066 -4.616 1.00 0.22 C ATOM 901 O ALA A 61 4.529 6.440 -4.942 1.00 0.26 O ATOM 902 CB ALA A 61 3.360 8.366 -2.484 1.00 0.24 C ATOM 0 H ALA A 61 1.962 9.686 -4.034 1.00 0.22 H new ATOM 0 HA ALA A 61 4.672 8.792 -4.118 1.00 0.23 H new ATOM 0 HB1 ALA A 61 4.035 7.646 -2.021 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.510 9.346 -2.031 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.329 8.048 -2.329 1.00 0.24 H new ATOM 908 N ALA A 62 2.295 6.621 -4.827 1.00 0.20 N ATOM 909 CA ALA A 62 2.029 5.270 -5.316 1.00 0.20 C ATOM 910 C ALA A 62 2.672 5.001 -6.676 1.00 0.21 C ATOM 911 O ALA A 62 3.358 3.999 -6.849 1.00 0.24 O ATOM 912 CB ALA A 62 0.532 5.031 -5.386 1.00 0.20 C ATOM 0 H ALA A 62 1.457 7.179 -4.666 1.00 0.20 H new ATOM 0 HA ALA A 62 2.480 4.575 -4.608 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.341 4.022 -5.751 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.098 5.145 -4.392 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.079 5.754 -6.065 1.00 0.20 H new ATOM 918 N SER A 63 2.448 5.895 -7.630 1.00 0.21 N ATOM 919 CA SER A 63 2.966 5.737 -8.986 1.00 0.23 C ATOM 920 C SER A 63 4.485 5.555 -9.032 1.00 0.24 C ATOM 921 O SER A 63 5.014 4.967 -9.975 1.00 0.27 O ATOM 922 CB SER A 63 2.562 6.940 -9.840 1.00 0.26 C ATOM 923 OG SER A 63 1.151 7.014 -9.979 1.00 1.00 O ATOM 0 H SER A 63 1.905 6.747 -7.489 1.00 0.21 H new ATOM 0 HA SER A 63 2.526 4.824 -9.387 1.00 0.23 H new ATOM 0 HB2 SER A 63 2.935 7.857 -9.383 1.00 0.26 H new ATOM 0 HB3 SER A 63 3.025 6.864 -10.824 1.00 0.26 H new ATOM 0 HG SER A 63 0.779 7.561 -9.256 1.00 1.00 H new ATOM 929 N GLN A 64 5.185 6.047 -8.022 1.00 0.24 N ATOM 930 CA GLN A 64 6.638 5.972 -8.012 1.00 0.27 C ATOM 931 C GLN A 64 7.125 4.920 -7.034 1.00 0.26 C ATOM 932 O GLN A 64 8.035 4.146 -7.329 1.00 0.29 O ATOM 933 CB GLN A 64 7.220 7.320 -7.606 1.00 0.31 C ATOM 934 CG GLN A 64 6.593 8.484 -8.341 1.00 0.35 C ATOM 935 CD GLN A 64 7.121 9.828 -7.879 1.00 0.42 C ATOM 936 OE1 GLN A 64 8.121 10.326 -8.389 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.432 10.434 -6.929 1.00 0.35 N ATOM 0 H GLN A 64 4.775 6.499 -7.205 1.00 0.24 H new ATOM 0 HA GLN A 64 6.966 5.702 -9.016 1.00 0.27 H new ATOM 0 HB2 GLN A 64 7.084 7.460 -6.534 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.294 7.316 -7.793 1.00 0.31 H new ATOM 0 HG2 GLN A 64 6.778 8.375 -9.410 1.00 0.35 H new ATOM 0 HG3 GLN A 64 5.512 8.456 -8.200 1.00 0.35 H new ATOM 0 HE21 GLN A 64 5.607 9.985 -6.532 1.00 0.35 H new ATOM 0 HE22 GLN A 64 6.725 11.351 -6.592 1.00 0.35 H new ATOM 946 N ARG A 65 6.523 4.930 -5.861 1.00 0.26 N ATOM 947 CA ARG A 65 7.011 4.156 -4.730 1.00 0.28 C ATOM 948 C ARG A 65 6.313 2.813 -4.550 1.00 0.27 C ATOM 949 O ARG A 65 6.948 1.847 -4.143 1.00 0.32 O ATOM 950 CB ARG A 65 6.855 4.992 -3.470 1.00 0.33 C ATOM 951 CG ARG A 65 7.497 6.362 -3.598 1.00 0.37 C ATOM 952 CD ARG A 65 8.948 6.248 -4.039 1.00 0.43 C ATOM 953 NE ARG A 65 9.623 7.538 -4.118 1.00 0.58 N ATOM 954 CZ ARG A 65 10.307 7.953 -5.186 1.00 0.66 C ATOM 955 NH1 ARG A 65 10.374 7.195 -6.276 1.00 0.59 N ATOM 956 NH2 ARG A 65 10.927 9.122 -5.165 1.00 0.86 N ATOM 0 H ARG A 65 5.683 5.473 -5.662 1.00 0.26 H new ATOM 0 HA ARG A 65 8.057 3.922 -4.928 1.00 0.28 H new ATOM 0 HB2 ARG A 65 5.795 5.111 -3.245 1.00 0.33 H new ATOM 0 HB3 ARG A 65 7.302 4.462 -2.629 1.00 0.33 H new ATOM 0 HG2 ARG A 65 6.941 6.962 -4.319 1.00 0.37 H new ATOM 0 HG3 ARG A 65 7.444 6.883 -2.642 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.485 5.606 -3.341 1.00 0.43 H new ATOM 0 HD3 ARG A 65 8.988 5.763 -5.014 1.00 0.43 H new ATOM 0 HE ARG A 65 9.569 8.159 -3.311 1.00 0.58 H new ATOM 0 HH11 ARG A 65 9.901 6.291 -6.299 1.00 0.59 H new ATOM 0 HH12 ARG A 65 10.898 7.517 -7.090 1.00 0.59 H new ATOM 0 HH21 ARG A 65 10.883 9.708 -4.331 1.00 0.86 H new ATOM 0 HH22 ARG A 65 11.449 9.437 -5.983 1.00 0.86 H new ATOM 970 N SER A 66 5.018 2.759 -4.818 1.00 0.25 N ATOM 971 CA SER A 66 4.265 1.518 -4.643 1.00 0.25 C ATOM 972 C SER A 66 4.796 0.435 -5.567 1.00 0.23 C ATOM 973 O SER A 66 4.773 0.578 -6.791 1.00 0.24 O ATOM 974 CB SER A 66 2.774 1.720 -4.912 1.00 0.24 C ATOM 975 OG SER A 66 2.036 0.538 -4.639 1.00 0.82 O ATOM 0 H SER A 66 4.467 3.549 -5.154 1.00 0.25 H new ATOM 0 HA SER A 66 4.392 1.210 -3.605 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.398 2.536 -4.295 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.626 2.012 -5.952 1.00 0.24 H new ATOM 0 HG SER A 66 1.086 0.697 -4.818 1.00 0.82 H new ATOM 981 N ASP A 67 5.262 -0.649 -4.972 1.00 0.25 N ATOM 982 CA ASP A 67 5.783 -1.770 -5.732 1.00 0.28 C ATOM 983 C ASP A 67 4.646 -2.625 -6.282 1.00 0.31 C ATOM 984 O ASP A 67 4.868 -3.575 -7.033 1.00 0.48 O ATOM 985 CB ASP A 67 6.748 -2.598 -4.881 1.00 0.39 C ATOM 986 CG ASP A 67 7.919 -1.770 -4.391 1.00 1.59 C ATOM 987 OD1 ASP A 67 8.283 -0.803 -5.076 1.00 1.91 O ATOM 988 OD2 ASP A 67 8.503 -2.099 -3.345 1.00 2.28 O ATOM 0 H ASP A 67 5.290 -0.776 -3.960 1.00 0.25 H new ATOM 0 HA ASP A 67 6.343 -1.381 -6.582 1.00 0.28 H new ATOM 0 HB2 ASP A 67 6.214 -3.014 -4.027 1.00 0.39 H new ATOM 0 HB3 ASP A 67 7.118 -3.440 -5.466 1.00 0.39 H new ATOM 993 N CYS A 68 3.423 -2.276 -5.902 1.00 0.24 N ATOM 994 CA CYS A 68 2.234 -2.907 -6.464 1.00 0.26 C ATOM 995 C CYS A 68 1.883 -2.298 -7.812 1.00 0.27 C ATOM 996 O CYS A 68 2.286 -1.181 -8.138 1.00 0.38 O ATOM 997 CB CYS A 68 1.037 -2.758 -5.528 1.00 0.29 C ATOM 998 SG CYS A 68 0.794 -4.128 -4.374 1.00 1.52 S ATOM 0 H CYS A 68 3.228 -1.557 -5.205 1.00 0.24 H new ATOM 0 HA CYS A 68 2.461 -3.965 -6.591 1.00 0.26 H new ATOM 0 HB2 CYS A 68 1.155 -1.838 -4.956 1.00 0.29 H new ATOM 0 HB3 CYS A 68 0.136 -2.646 -6.130 1.00 0.29 H new ATOM 0 HG CYS A 68 0.022 -5.021 -4.917 1.00 1.52 H new ATOM 1004 N GLY A 69 1.084 -3.046 -8.557 1.00 0.26 N ATOM 1005 CA GLY A 69 0.746 -2.707 -9.931 1.00 0.25 C ATOM 1006 C GLY A 69 -0.019 -1.406 -10.078 1.00 0.22 C ATOM 1007 O GLY A 69 -0.076 -0.842 -11.174 1.00 0.25 O ATOM 0 H GLY A 69 0.650 -3.908 -8.225 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.664 -2.644 -10.515 1.00 0.25 H new ATOM 0 HA3 GLY A 69 0.152 -3.515 -10.358 1.00 0.25 H new ATOM 1011 N SER A 70 -0.602 -0.918 -8.989 1.00 0.21 N ATOM 1012 CA SER A 70 -1.319 0.348 -9.015 1.00 0.24 C ATOM 1013 C SER A 70 -0.387 1.538 -9.256 1.00 0.22 C ATOM 1014 O SER A 70 -0.859 2.660 -9.418 1.00 0.25 O ATOM 1015 CB SER A 70 -2.086 0.544 -7.713 1.00 0.31 C ATOM 1016 OG SER A 70 -1.347 0.040 -6.612 1.00 0.32 O ATOM 0 H SER A 70 -0.591 -1.380 -8.080 1.00 0.21 H new ATOM 0 HA SER A 70 -2.018 0.306 -9.850 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.293 1.604 -7.563 1.00 0.31 H new ATOM 0 HB3 SER A 70 -3.049 0.037 -7.773 1.00 0.31 H new ATOM 0 HG SER A 70 -1.776 0.317 -5.776 1.00 0.32 H new ATOM 1022 N TYR A 71 0.928 1.304 -9.271 1.00 0.20 N ATOM 1023 CA TYR A 71 1.893 2.358 -9.603 1.00 0.20 C ATOM 1024 C TYR A 71 1.517 3.028 -10.929 1.00 0.22 C ATOM 1025 O TYR A 71 1.706 4.225 -11.110 1.00 0.29 O ATOM 1026 CB TYR A 71 3.323 1.792 -9.709 1.00 0.21 C ATOM 1027 CG TYR A 71 3.555 0.919 -10.928 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.186 -0.417 -10.930 1.00 0.27 C ATOM 1029 CD2 TYR A 71 4.138 1.437 -12.081 1.00 0.35 C ATOM 1030 CE1 TYR A 71 3.383 -1.213 -12.041 1.00 0.36 C ATOM 1031 CE2 TYR A 71 4.340 0.646 -13.196 1.00 0.44 C ATOM 1032 CZ TYR A 71 3.960 -0.678 -13.171 1.00 0.43 C ATOM 1033 OH TYR A 71 4.150 -1.469 -14.281 1.00 0.54 O ATOM 0 H TYR A 71 1.348 0.399 -9.058 1.00 0.20 H new ATOM 0 HA TYR A 71 1.865 3.094 -8.800 1.00 0.20 H new ATOM 0 HB2 TYR A 71 4.030 2.621 -9.730 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.540 1.211 -8.813 1.00 0.21 H new ATOM 0 HD1 TYR A 71 2.736 -0.844 -10.046 1.00 0.27 H new ATOM 0 HD2 TYR A 71 4.437 2.474 -12.105 1.00 0.35 H new ATOM 0 HE1 TYR A 71 3.086 -2.251 -12.024 1.00 0.36 H new ATOM 0 HE2 TYR A 71 4.794 1.064 -14.083 1.00 0.44 H new ATOM 0 HH TYR A 71 4.567 -0.940 -14.992 1.00 0.54 H new ATOM 1043 N ALA A 72 0.952 2.253 -11.846 1.00 0.24 N ATOM 1044 CA ALA A 72 0.621 2.761 -13.165 1.00 0.30 C ATOM 1045 C ALA A 72 -0.807 3.280 -13.206 1.00 0.36 C ATOM 1046 O ALA A 72 -1.288 3.729 -14.242 1.00 0.49 O ATOM 1047 CB ALA A 72 0.820 1.675 -14.207 1.00 0.38 C ATOM 0 H ALA A 72 0.715 1.272 -11.698 1.00 0.24 H new ATOM 0 HA ALA A 72 1.288 3.593 -13.389 1.00 0.30 H new ATOM 0 HB1 ALA A 72 0.569 2.066 -15.193 1.00 0.38 H new ATOM 0 HB2 ALA A 72 1.860 1.350 -14.200 1.00 0.38 H new ATOM 0 HB3 ALA A 72 0.174 0.828 -13.978 1.00 0.38 H new ATOM 1053 N SER A 73 -1.481 3.219 -12.071 1.00 0.32 N ATOM 1054 CA SER A 73 -2.865 3.650 -11.988 1.00 0.44 C ATOM 1055 C SER A 73 -3.000 4.857 -11.063 1.00 0.49 C ATOM 1056 O SER A 73 -3.940 5.641 -11.174 1.00 0.71 O ATOM 1057 CB SER A 73 -3.714 2.496 -11.461 1.00 0.47 C ATOM 1058 OG SER A 73 -3.319 1.268 -12.052 1.00 0.62 O ATOM 0 H SER A 73 -1.092 2.875 -11.193 1.00 0.32 H new ATOM 0 HA SER A 73 -3.208 3.941 -12.981 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.615 2.431 -10.377 1.00 0.47 H new ATOM 0 HB3 SER A 73 -4.766 2.686 -11.675 1.00 0.47 H new ATOM 0 HG SER A 73 -3.874 0.542 -11.699 1.00 0.62 H new ATOM 1064 N GLY A 74 -2.026 5.024 -10.180 1.00 0.41 N ATOM 1065 CA GLY A 74 -2.091 6.079 -9.193 1.00 0.54 C ATOM 1066 C GLY A 74 -2.355 5.540 -7.802 1.00 0.45 C ATOM 1067 O GLY A 74 -2.726 6.284 -6.899 1.00 0.49 O ATOM 0 H GLY A 74 -1.188 4.444 -10.131 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -1.153 6.635 -9.194 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -2.879 6.782 -9.465 1.00 0.54 H new ATOM 1071 N GLY A 75 -2.165 4.235 -7.631 1.00 0.35 N ATOM 1072 CA GLY A 75 -2.351 3.622 -6.331 1.00 0.32 C ATOM 1073 C GLY A 75 -3.717 2.997 -6.166 1.00 0.20 C ATOM 1074 O GLY A 75 -3.950 2.252 -5.215 1.00 0.21 O ATOM 0 H GLY A 75 -1.885 3.592 -8.371 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.587 2.859 -6.182 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -2.205 4.374 -5.556 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.604 3.246 -7.115 1.00 0.35 N ATOM 1079 CA ASP A 76 -6.000 2.884 -6.949 1.00 0.39 C ATOM 1080 C ASP A 76 -6.305 1.542 -7.578 1.00 0.32 C ATOM 1081 O ASP A 76 -5.718 1.154 -8.591 1.00 0.36 O ATOM 1082 CB ASP A 76 -6.939 3.943 -7.538 1.00 0.63 C ATOM 1083 CG ASP A 76 -7.060 3.877 -9.051 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -6.117 4.295 -9.750 1.00 1.65 O ATOM 1085 OD2 ASP A 76 -8.119 3.425 -9.546 1.00 0.80 O ATOM 0 H ASP A 76 -4.383 3.695 -8.004 1.00 0.35 H new ATOM 0 HA ASP A 76 -6.173 2.821 -5.875 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -7.929 3.824 -7.097 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -6.581 4.932 -7.254 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.204 0.829 -6.935 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.754 -0.388 -7.480 1.00 0.30 C ATOM 1092 C LEU A 77 -9.218 -0.161 -7.810 1.00 0.32 C ATOM 1093 O LEU A 77 -9.777 0.887 -7.483 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.590 -1.538 -6.482 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.522 -2.581 -6.834 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -5.248 -1.918 -7.338 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -6.223 -3.450 -5.620 1.00 0.94 C ATOM 0 H LEU A 77 -7.573 1.079 -6.018 1.00 0.32 H new ATOM 0 HA LEU A 77 -7.220 -0.660 -8.391 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -7.350 -1.116 -5.506 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.549 -2.047 -6.382 1.00 0.32 H new ATOM 0 HG LEU A 77 -6.910 -3.209 -7.636 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -4.510 -2.683 -7.579 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -5.470 -1.334 -8.231 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -4.850 -1.261 -6.565 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -5.464 -4.188 -5.879 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -5.858 -2.824 -4.806 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -7.133 -3.961 -5.305 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.825 -1.127 -8.456 1.00 0.37 N ATOM 1110 CA GLY A 78 -11.214 -0.998 -8.841 1.00 0.39 C ATOM 1111 C GLY A 78 -12.143 -1.566 -7.796 1.00 0.34 C ATOM 1112 O GLY A 78 -11.861 -1.486 -6.601 1.00 0.44 O ATOM 0 H GLY A 78 -9.385 -2.007 -8.726 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.450 0.054 -9.003 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -11.377 -1.511 -9.789 1.00 0.39 H new ATOM 1116 N PHE A 79 -13.247 -2.141 -8.238 1.00 0.47 N ATOM 1117 CA PHE A 79 -14.184 -2.774 -7.326 1.00 0.46 C ATOM 1118 C PHE A 79 -13.738 -4.199 -7.031 1.00 0.45 C ATOM 1119 O PHE A 79 -13.249 -4.904 -7.916 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.613 -2.746 -7.891 1.00 0.61 C ATOM 1121 CG PHE A 79 -15.753 -3.326 -9.276 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -15.439 -2.568 -10.394 1.00 1.73 C ATOM 1123 CD2 PHE A 79 -16.208 -4.621 -9.456 1.00 2.78 C ATOM 1124 CE1 PHE A 79 -15.574 -3.094 -11.664 1.00 2.78 C ATOM 1125 CE2 PHE A 79 -16.344 -5.152 -10.724 1.00 3.87 C ATOM 1126 CZ PHE A 79 -16.027 -4.387 -11.830 1.00 3.85 C ATOM 0 H PHE A 79 -13.517 -2.183 -9.221 1.00 0.47 H new ATOM 0 HA PHE A 79 -14.194 -2.212 -6.392 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -16.268 -3.294 -7.214 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -15.963 -1.714 -7.907 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -15.085 -1.555 -10.270 1.00 1.73 H new ATOM 0 HD2 PHE A 79 -16.459 -5.223 -8.595 1.00 2.78 H new ATOM 0 HE1 PHE A 79 -15.325 -2.494 -12.527 1.00 2.78 H new ATOM 0 HE2 PHE A 79 -16.698 -6.164 -10.851 1.00 3.87 H new ATOM 0 HZ PHE A 79 -16.133 -4.800 -12.822 1.00 3.85 H new ATOM 1136 N PHE A 80 -13.882 -4.600 -5.781 1.00 0.40 N ATOM 1137 CA PHE A 80 -13.468 -5.920 -5.334 1.00 0.45 C ATOM 1138 C PHE A 80 -14.300 -6.349 -4.142 1.00 0.46 C ATOM 1139 O PHE A 80 -14.842 -5.515 -3.425 1.00 0.55 O ATOM 1140 CB PHE A 80 -11.976 -5.938 -4.974 1.00 0.45 C ATOM 1141 CG PHE A 80 -11.463 -4.687 -4.302 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -11.962 -4.310 -3.066 1.00 0.89 C ATOM 1143 CD2 PHE A 80 -10.499 -3.883 -4.897 1.00 1.01 C ATOM 1144 CE1 PHE A 80 -11.515 -3.162 -2.445 1.00 1.19 C ATOM 1145 CE2 PHE A 80 -10.054 -2.731 -4.268 1.00 1.28 C ATOM 1146 CZ PHE A 80 -10.477 -2.392 -3.087 1.00 1.31 C ATOM 0 H PHE A 80 -14.289 -4.021 -5.046 1.00 0.40 H new ATOM 0 HA PHE A 80 -13.627 -6.623 -6.152 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -11.787 -6.788 -4.318 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -11.401 -6.104 -5.885 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -12.710 -4.922 -2.583 1.00 0.89 H new ATOM 0 HD2 PHE A 80 -10.092 -4.158 -5.859 1.00 1.01 H new ATOM 0 HE1 PHE A 80 -11.932 -2.847 -1.500 1.00 1.19 H new ATOM 0 HE2 PHE A 80 -9.338 -2.099 -4.772 1.00 1.28 H new ATOM 0 HZ PHE A 80 -10.052 -1.535 -2.586 1.00 1.31 H new ATOM 1156 N SER A 81 -14.407 -7.646 -3.937 1.00 0.50 N ATOM 1157 CA SER A 81 -15.197 -8.176 -2.843 1.00 0.55 C ATOM 1158 C SER A 81 -14.422 -8.098 -1.531 1.00 0.52 C ATOM 1159 O SER A 81 -13.213 -8.340 -1.498 1.00 0.54 O ATOM 1160 CB SER A 81 -15.592 -9.618 -3.147 1.00 0.69 C ATOM 1161 OG SER A 81 -16.335 -9.698 -4.353 1.00 1.17 O ATOM 0 H SER A 81 -13.956 -8.355 -4.515 1.00 0.50 H new ATOM 0 HA SER A 81 -16.100 -7.575 -2.736 1.00 0.55 H new ATOM 0 HB2 SER A 81 -14.697 -10.235 -3.225 1.00 0.69 H new ATOM 0 HB3 SER A 81 -16.184 -10.018 -2.324 1.00 0.69 H new ATOM 0 HG SER A 81 -17.139 -10.240 -4.207 1.00 1.17 H new ATOM 1167 N SER A 82 -15.119 -7.737 -0.463 1.00 0.59 N ATOM 1168 CA SER A 82 -14.512 -7.637 0.854 1.00 0.63 C ATOM 1169 C SER A 82 -13.965 -8.994 1.290 1.00 0.59 C ATOM 1170 O SER A 82 -14.716 -9.946 1.508 1.00 0.63 O ATOM 1171 CB SER A 82 -15.540 -7.119 1.864 1.00 0.77 C ATOM 1172 OG SER A 82 -16.083 -5.874 1.446 1.00 1.19 O ATOM 0 H SER A 82 -16.113 -7.507 -0.485 1.00 0.59 H new ATOM 0 HA SER A 82 -13.681 -6.933 0.810 1.00 0.63 H new ATOM 0 HB2 SER A 82 -16.341 -7.849 1.979 1.00 0.77 H new ATOM 0 HB3 SER A 82 -15.070 -7.005 2.841 1.00 0.77 H new ATOM 0 HG SER A 82 -16.619 -6.006 0.636 1.00 1.19 H new ATOM 1178 N GLY A 83 -12.648 -9.081 1.390 1.00 0.58 N ATOM 1179 CA GLY A 83 -12.011 -10.330 1.744 1.00 0.62 C ATOM 1180 C GLY A 83 -11.180 -10.885 0.608 1.00 0.64 C ATOM 1181 O GLY A 83 -10.385 -11.801 0.803 1.00 0.79 O ATOM 0 H GLY A 83 -12.006 -8.304 1.231 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -11.376 -10.178 2.617 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -12.772 -11.058 2.026 1.00 0.62 H new ATOM 1185 N GLU A 84 -11.336 -10.306 -0.580 1.00 0.58 N ATOM 1186 CA GLU A 84 -10.627 -10.772 -1.769 1.00 0.62 C ATOM 1187 C GLU A 84 -9.234 -10.142 -1.843 1.00 0.58 C ATOM 1188 O GLU A 84 -8.770 -9.720 -2.905 1.00 0.87 O ATOM 1189 CB GLU A 84 -11.437 -10.431 -3.023 1.00 0.73 C ATOM 1190 CG GLU A 84 -10.938 -11.105 -4.292 1.00 1.17 C ATOM 1191 CD GLU A 84 -11.645 -10.598 -5.527 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -11.209 -9.575 -6.090 1.00 1.55 O ATOM 1193 OE2 GLU A 84 -12.644 -11.223 -5.939 1.00 1.43 O ATOM 0 H GLU A 84 -11.951 -9.509 -0.745 1.00 0.58 H new ATOM 0 HA GLU A 84 -10.509 -11.854 -1.709 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -12.476 -10.716 -2.859 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -11.422 -9.351 -3.169 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -9.866 -10.934 -4.394 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -11.083 -12.182 -4.210 1.00 1.17 H new ATOM 1200 N MET A 85 -8.577 -10.063 -0.699 1.00 0.47 N ATOM 1201 CA MET A 85 -7.228 -9.537 -0.625 1.00 0.44 C ATOM 1202 C MET A 85 -6.393 -10.419 0.290 1.00 0.47 C ATOM 1203 O MET A 85 -6.352 -11.639 0.133 1.00 0.73 O ATOM 1204 CB MET A 85 -7.235 -8.101 -0.088 1.00 0.39 C ATOM 1205 CG MET A 85 -7.955 -7.096 -0.967 1.00 0.37 C ATOM 1206 SD MET A 85 -7.140 -6.847 -2.556 1.00 0.39 S ATOM 1207 CE MET A 85 -8.143 -5.526 -3.233 1.00 0.39 C ATOM 0 H MET A 85 -8.961 -10.360 0.198 1.00 0.47 H new ATOM 0 HA MET A 85 -6.799 -9.530 -1.627 1.00 0.44 H new ATOM 0 HB2 MET A 85 -7.700 -8.099 0.898 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.204 -7.773 0.045 1.00 0.39 H new ATOM 0 HG2 MET A 85 -8.977 -7.435 -1.137 1.00 0.37 H new ATOM 0 HG3 MET A 85 -8.019 -6.142 -0.443 1.00 0.37 H new ATOM 0 HE1 MET A 85 -8.320 -5.710 -4.293 1.00 0.39 H new ATOM 0 HE2 MET A 85 -9.097 -5.488 -2.707 1.00 0.39 H new ATOM 0 HE3 MET A 85 -7.623 -4.576 -3.111 1.00 0.39 H new ATOM 1217 N MET A 86 -5.756 -9.791 1.258 1.00 0.33 N ATOM 1218 CA MET A 86 -5.003 -10.495 2.277 1.00 0.35 C ATOM 1219 C MET A 86 -5.618 -10.174 3.624 1.00 0.40 C ATOM 1220 O MET A 86 -6.230 -9.116 3.772 1.00 0.76 O ATOM 1221 CB MET A 86 -3.535 -10.069 2.257 1.00 0.33 C ATOM 1222 CG MET A 86 -2.840 -10.328 0.929 1.00 0.43 C ATOM 1223 SD MET A 86 -1.139 -9.725 0.901 1.00 1.16 S ATOM 1224 CE MET A 86 -0.658 -10.184 -0.763 1.00 1.39 C ATOM 0 H MET A 86 -5.746 -8.776 1.360 1.00 0.33 H new ATOM 0 HA MET A 86 -5.041 -11.568 2.087 1.00 0.35 H new ATOM 0 HB2 MET A 86 -3.471 -9.006 2.489 1.00 0.33 H new ATOM 0 HB3 MET A 86 -3.001 -10.600 3.046 1.00 0.33 H new ATOM 0 HG2 MET A 86 -2.845 -11.399 0.724 1.00 0.43 H new ATOM 0 HG3 MET A 86 -3.404 -9.848 0.129 1.00 0.43 H new ATOM 0 HE1 MET A 86 0.373 -9.879 -0.941 1.00 1.39 H new ATOM 0 HE2 MET A 86 -0.743 -11.264 -0.881 1.00 1.39 H new ATOM 0 HE3 MET A 86 -1.312 -9.688 -1.481 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.469 -11.067 4.591 1.00 0.32 N ATOM 1235 CA LYS A 87 -6.107 -10.896 5.894 1.00 0.32 C ATOM 1236 C LYS A 87 -5.804 -9.523 6.519 1.00 0.27 C ATOM 1237 O LYS A 87 -6.735 -8.782 6.825 1.00 0.27 O ATOM 1238 CB LYS A 87 -5.710 -12.029 6.842 1.00 0.37 C ATOM 1239 CG LYS A 87 -6.396 -11.965 8.196 1.00 0.97 C ATOM 1240 CD LYS A 87 -5.985 -13.133 9.073 1.00 1.46 C ATOM 1241 CE LYS A 87 -6.687 -13.097 10.420 1.00 2.00 C ATOM 1242 NZ LYS A 87 -6.322 -14.265 11.264 1.00 2.37 N ATOM 0 H LYS A 87 -4.913 -11.918 4.501 1.00 0.32 H new ATOM 0 HA LYS A 87 -7.184 -10.938 5.732 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -5.945 -12.983 6.371 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -4.630 -12.004 6.991 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -6.143 -11.028 8.691 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -7.477 -11.972 8.060 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -6.218 -14.069 8.566 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -4.906 -13.113 9.224 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -6.426 -12.176 10.941 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -7.766 -13.082 10.267 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -6.821 -14.205 12.175 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -6.594 -15.143 10.778 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -5.295 -14.265 11.431 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.516 -9.131 6.686 1.00 0.26 N ATOM 1257 CA PRO A 88 -4.176 -7.866 7.344 1.00 0.25 C ATOM 1258 C PRO A 88 -4.447 -6.663 6.444 1.00 0.22 C ATOM 1259 O PRO A 88 -4.712 -5.557 6.919 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.682 -8.007 7.628 1.00 0.27 C ATOM 1261 CG PRO A 88 -2.177 -8.904 6.554 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.305 -9.851 6.233 1.00 0.27 C ATOM 0 HA PRO A 88 -4.773 -7.690 8.239 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -2.181 -7.039 7.604 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.505 -8.433 8.616 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -1.887 -8.332 5.673 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -1.293 -9.449 6.885 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.348 -10.074 5.167 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -3.188 -10.802 6.753 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.391 -6.901 5.141 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.639 -5.867 4.147 1.00 0.17 C ATOM 1272 C PHE A 89 -6.108 -5.465 4.190 1.00 0.18 C ATOM 1273 O PHE A 89 -6.436 -4.302 4.410 1.00 0.17 O ATOM 1274 CB PHE A 89 -4.264 -6.405 2.757 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.444 -5.442 1.607 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.695 -5.230 1.048 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.355 -4.780 1.062 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -5.859 -4.372 -0.024 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.512 -3.927 -0.017 1.00 0.20 C ATOM 1280 CZ PHE A 89 -4.768 -3.722 -0.561 1.00 0.19 C ATOM 0 H PHE A 89 -4.173 -7.815 4.744 1.00 0.19 H new ATOM 0 HA PHE A 89 -4.032 -4.987 4.360 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -3.221 -6.722 2.780 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -4.863 -7.294 2.559 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.554 -5.742 1.456 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.372 -4.931 1.484 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -6.842 -4.211 -0.441 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.654 -3.421 -0.434 1.00 0.20 H new ATOM 0 HZ PHE A 89 -4.893 -3.056 -1.402 1.00 0.19 H new ATOM 1290 N GLU A 90 -6.981 -6.452 4.021 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.424 -6.235 4.030 1.00 0.24 C ATOM 1292 C GLU A 90 -8.865 -5.777 5.410 1.00 0.25 C ATOM 1293 O GLU A 90 -9.763 -4.947 5.543 1.00 0.27 O ATOM 1294 CB GLU A 90 -9.140 -7.526 3.632 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.586 -7.345 3.190 1.00 0.34 C ATOM 1296 CD GLU A 90 -11.590 -7.516 4.320 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -11.632 -8.611 4.919 1.00 2.12 O ATOM 1298 OE2 GLU A 90 -12.365 -6.578 4.588 1.00 1.78 O ATOM 0 H GLU A 90 -6.709 -7.424 3.874 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.682 -5.459 3.310 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.584 -7.998 2.822 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -9.117 -8.213 4.478 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -10.704 -6.352 2.757 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -10.810 -8.065 2.403 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.199 -6.313 6.430 1.00 0.25 N ATOM 1306 CA ASP A 91 -8.435 -5.909 7.815 1.00 0.29 C ATOM 1307 C ASP A 91 -8.301 -4.403 7.973 1.00 0.25 C ATOM 1308 O ASP A 91 -8.997 -3.791 8.779 1.00 0.30 O ATOM 1309 CB ASP A 91 -7.453 -6.610 8.758 1.00 0.35 C ATOM 1310 CG ASP A 91 -7.578 -6.137 10.192 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -8.507 -6.584 10.897 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -6.736 -5.323 10.629 1.00 0.54 O ATOM 0 H ASP A 91 -7.486 -7.034 6.322 1.00 0.25 H new ATOM 0 HA ASP A 91 -9.452 -6.202 8.075 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -7.624 -7.686 8.719 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -6.435 -6.436 8.410 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.406 -3.807 7.200 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.213 -2.371 7.242 1.00 0.19 C ATOM 1319 C ALA A 92 -8.220 -1.655 6.350 1.00 0.18 C ATOM 1320 O ALA A 92 -8.726 -0.600 6.716 1.00 0.21 O ATOM 1321 CB ALA A 92 -5.796 -2.016 6.833 1.00 0.22 C ATOM 0 H ALA A 92 -6.804 -4.297 6.538 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.376 -2.038 8.267 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.667 -0.934 6.870 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.091 -2.489 7.516 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.611 -2.369 5.819 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.526 -2.249 5.198 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.434 -1.637 4.222 1.00 0.19 C ATOM 1329 C VAL A 93 -10.823 -1.452 4.820 1.00 0.19 C ATOM 1330 O VAL A 93 -11.454 -0.409 4.665 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.570 -2.491 2.940 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.300 -1.724 1.856 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.214 -2.958 2.441 1.00 0.21 C ATOM 0 H VAL A 93 -8.158 -3.157 4.914 1.00 0.18 H new ATOM 0 HA VAL A 93 -9.001 -0.671 3.961 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.157 -3.374 3.193 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.383 -2.345 0.964 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.297 -1.458 2.207 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -9.745 -0.817 1.616 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.344 -3.556 1.539 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -7.591 -2.092 2.216 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -7.732 -3.562 3.210 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.289 -2.477 5.507 1.00 0.23 N ATOM 1344 CA ARG A 94 -12.590 -2.439 6.155 1.00 0.27 C ATOM 1345 C ARG A 94 -12.543 -1.563 7.402 1.00 0.25 C ATOM 1346 O ARG A 94 -13.576 -1.141 7.919 1.00 0.32 O ATOM 1347 CB ARG A 94 -13.003 -3.850 6.546 1.00 0.41 C ATOM 1348 CG ARG A 94 -12.070 -4.466 7.570 1.00 0.59 C ATOM 1349 CD ARG A 94 -12.335 -5.939 7.758 1.00 1.03 C ATOM 1350 NE ARG A 94 -11.430 -6.527 8.736 1.00 0.98 N ATOM 1351 CZ ARG A 94 -11.077 -7.812 8.737 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -11.508 -8.626 7.780 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -10.262 -8.276 9.670 1.00 1.70 N ATOM 0 H ARG A 94 -10.783 -3.354 5.632 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.315 -2.019 5.458 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -14.016 -3.830 6.948 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -13.026 -4.478 5.656 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -11.037 -4.320 7.254 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -12.187 -3.951 8.524 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -13.366 -6.085 8.081 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -12.224 -6.454 6.804 1.00 1.03 H new ATOM 0 HE ARG A 94 -11.045 -5.921 9.461 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -12.112 -8.268 7.040 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -11.235 -9.609 7.785 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -9.903 -7.650 10.390 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -9.993 -9.260 9.669 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.336 -1.287 7.872 1.00 0.23 N ATOM 1368 CA ALA A 95 -11.153 -0.571 9.123 1.00 0.25 C ATOM 1369 C ALA A 95 -11.000 0.927 8.892 1.00 0.26 C ATOM 1370 O ALA A 95 -10.600 1.669 9.787 1.00 0.47 O ATOM 1371 CB ALA A 95 -9.960 -1.133 9.877 1.00 0.26 C ATOM 0 H ALA A 95 -10.468 -1.549 7.404 1.00 0.23 H new ATOM 0 HA ALA A 95 -12.047 -0.713 9.730 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -9.832 -0.589 10.813 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -10.129 -2.188 10.091 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -9.062 -1.025 9.269 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.316 1.366 7.685 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.310 2.785 7.360 1.00 0.19 C ATOM 1379 C LEU A 96 -12.460 3.120 6.435 1.00 0.21 C ATOM 1380 O LEU A 96 -12.917 2.277 5.663 1.00 0.28 O ATOM 1381 CB LEU A 96 -9.978 3.203 6.723 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.321 2.172 5.811 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -9.907 2.231 4.415 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -7.826 2.389 5.765 1.00 0.28 C ATOM 0 H LEU A 96 -11.581 0.758 6.910 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.430 3.342 8.289 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -10.143 4.115 6.149 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -9.278 3.451 7.521 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.519 1.181 6.219 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -9.421 1.486 3.785 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -10.977 2.026 4.460 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -9.745 3.223 3.994 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.370 1.646 5.110 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.615 3.388 5.383 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -7.413 2.290 6.769 1.00 0.28 H new ATOM 1396 N LYS A 97 -12.942 4.345 6.527 1.00 0.24 N ATOM 1397 CA LYS A 97 -14.013 4.807 5.668 1.00 0.31 C ATOM 1398 C LYS A 97 -13.417 5.462 4.429 1.00 0.28 C ATOM 1399 O LYS A 97 -12.218 5.734 4.389 1.00 0.25 O ATOM 1400 CB LYS A 97 -14.916 5.795 6.423 1.00 0.42 C ATOM 1401 CG LYS A 97 -16.170 6.213 5.665 1.00 0.62 C ATOM 1402 CD LYS A 97 -17.138 5.054 5.492 1.00 0.97 C ATOM 1403 CE LYS A 97 -18.355 5.454 4.670 1.00 1.02 C ATOM 1404 NZ LYS A 97 -19.049 6.640 5.238 1.00 1.61 N ATOM 0 H LYS A 97 -12.606 5.041 7.193 1.00 0.24 H new ATOM 0 HA LYS A 97 -14.625 3.958 5.363 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.213 5.345 7.370 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -14.337 6.687 6.662 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -16.665 7.023 6.200 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -15.890 6.602 4.686 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -16.627 4.223 5.005 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -17.461 4.700 6.471 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -18.046 5.671 3.647 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -19.051 4.616 4.622 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -19.974 6.755 4.776 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -19.187 6.505 6.260 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -18.473 7.490 5.076 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.244 5.653 3.411 1.00 0.32 N ATOM 1419 CA ILE A 98 -13.866 6.414 2.229 1.00 0.32 C ATOM 1420 C ILE A 98 -13.082 7.671 2.603 1.00 0.32 C ATOM 1421 O ILE A 98 -13.592 8.556 3.292 1.00 0.37 O ATOM 1422 CB ILE A 98 -15.120 6.809 1.424 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -15.896 5.551 1.025 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -14.739 7.626 0.198 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -17.218 5.829 0.349 1.00 0.90 C ATOM 0 H ILE A 98 -15.195 5.285 3.381 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.226 5.778 1.618 1.00 0.32 H new ATOM 0 HB ILE A 98 -15.760 7.431 2.050 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -15.277 4.952 0.356 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -16.075 4.950 1.916 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -15.639 7.894 -0.355 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -14.222 8.533 0.511 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -14.082 7.037 -0.442 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -17.704 4.886 0.099 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -17.858 6.400 1.022 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -17.047 6.402 -0.562 1.00 0.90 H new ATOM 1437 N GLY A 99 -11.831 7.715 2.176 1.00 0.30 N ATOM 1438 CA GLY A 99 -10.997 8.874 2.426 1.00 0.32 C ATOM 1439 C GLY A 99 -10.011 8.674 3.563 1.00 0.32 C ATOM 1440 O GLY A 99 -9.149 9.522 3.792 1.00 0.46 O ATOM 0 H GLY A 99 -11.374 6.965 1.657 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -10.447 9.119 1.517 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.634 9.729 2.654 1.00 0.32 H new ATOM 1444 N ASP A 100 -10.134 7.566 4.284 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.242 7.290 5.405 1.00 0.19 C ATOM 1446 C ASP A 100 -8.134 6.334 4.996 1.00 0.15 C ATOM 1447 O ASP A 100 -8.367 5.394 4.237 1.00 0.15 O ATOM 1448 CB ASP A 100 -10.007 6.698 6.590 1.00 0.22 C ATOM 1449 CG ASP A 100 -10.938 7.693 7.253 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.445 8.689 7.830 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -12.165 7.472 7.225 1.00 0.37 O ATOM 0 H ASP A 100 -10.838 6.848 4.115 1.00 0.21 H new ATOM 0 HA ASP A 100 -8.803 8.241 5.707 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.586 5.839 6.249 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.294 6.329 7.327 1.00 0.22 H new ATOM 1456 N ILE A 101 -6.931 6.584 5.504 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.779 5.739 5.213 1.00 0.16 C ATOM 1458 C ILE A 101 -5.423 4.893 6.434 1.00 0.16 C ATOM 1459 O ILE A 101 -5.628 5.313 7.573 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.543 6.576 4.825 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -4.939 7.747 3.925 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.518 5.698 4.117 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -3.811 8.722 3.676 1.00 0.21 C ATOM 0 H ILE A 101 -6.729 7.370 6.122 1.00 0.18 H new ATOM 0 HA ILE A 101 -6.053 5.100 4.373 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.102 6.978 5.737 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -5.291 7.358 2.969 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -5.775 8.279 4.380 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.649 6.298 3.847 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.209 4.891 4.781 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -3.962 5.276 3.215 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.162 9.527 3.030 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -3.474 9.139 4.625 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -2.983 8.204 3.193 1.00 0.21 H new ATOM 1475 N SER A 102 -4.898 3.705 6.189 1.00 0.16 N ATOM 1476 CA SER A 102 -4.505 2.797 7.252 1.00 0.19 C ATOM 1477 C SER A 102 -3.056 3.039 7.658 1.00 0.18 C ATOM 1478 O SER A 102 -2.241 3.475 6.842 1.00 0.22 O ATOM 1479 CB SER A 102 -4.661 1.352 6.776 1.00 0.25 C ATOM 1480 OG SER A 102 -3.811 1.086 5.671 1.00 0.92 O ATOM 0 H SER A 102 -4.732 3.343 5.250 1.00 0.16 H new ATOM 0 HA SER A 102 -5.147 2.976 8.115 1.00 0.19 H new ATOM 0 HB2 SER A 102 -4.426 0.669 7.592 1.00 0.25 H new ATOM 0 HB3 SER A 102 -5.698 1.168 6.494 1.00 0.25 H new ATOM 0 HG SER A 102 -3.302 0.266 5.840 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.717 2.765 8.925 1.00 0.21 N ATOM 1487 CA PRO A 103 -1.331 2.786 9.386 1.00 0.23 C ATOM 1488 C PRO A 103 -0.539 1.622 8.795 1.00 0.20 C ATOM 1489 O PRO A 103 -1.132 0.682 8.257 1.00 0.27 O ATOM 1490 CB PRO A 103 -1.452 2.642 10.904 1.00 0.31 C ATOM 1491 CG PRO A 103 -2.757 1.959 11.120 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.658 2.422 10.008 1.00 0.28 C ATOM 0 HA PRO A 103 -0.802 3.690 9.085 1.00 0.23 H new ATOM 0 HB2 PRO A 103 -0.628 2.058 11.313 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -1.428 3.614 11.396 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -2.638 0.876 11.100 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -3.175 2.216 12.093 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -4.354 1.640 9.703 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -4.256 3.282 10.308 1.00 0.28 H new ATOM 1500 N ILE A 104 0.791 1.709 8.880 1.00 0.17 N ATOM 1501 CA ILE A 104 1.695 0.667 8.367 1.00 0.15 C ATOM 1502 C ILE A 104 1.185 -0.746 8.658 1.00 0.14 C ATOM 1503 O ILE A 104 1.154 -1.179 9.810 1.00 0.20 O ATOM 1504 CB ILE A 104 3.110 0.790 8.979 1.00 0.15 C ATOM 1505 CG1 ILE A 104 3.609 2.238 8.924 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.079 -0.137 8.252 1.00 0.15 C ATOM 1507 CD1 ILE A 104 3.636 2.823 7.531 1.00 0.17 C ATOM 0 H ILE A 104 1.274 2.500 9.305 1.00 0.17 H new ATOM 0 HA ILE A 104 1.733 0.824 7.289 1.00 0.15 H new ATOM 0 HB ILE A 104 3.057 0.493 10.026 1.00 0.15 H new ATOM 0 HG12 ILE A 104 2.971 2.856 9.555 1.00 0.17 H new ATOM 0 HG13 ILE A 104 4.613 2.282 9.346 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.072 -0.042 8.691 1.00 0.15 H new ATOM 0 HG22 ILE A 104 3.737 -1.168 8.347 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.121 0.135 7.197 1.00 0.15 H new ATOM 0 HD11 ILE A 104 4.000 3.849 7.574 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.298 2.230 6.900 1.00 0.17 H new ATOM 0 HD13 ILE A 104 2.630 2.813 7.112 1.00 0.17 H new ATOM 1519 N VAL A 105 0.783 -1.449 7.611 1.00 0.13 N ATOM 1520 CA VAL A 105 0.361 -2.837 7.731 1.00 0.15 C ATOM 1521 C VAL A 105 1.265 -3.735 6.888 1.00 0.15 C ATOM 1522 O VAL A 105 1.433 -3.515 5.685 1.00 0.17 O ATOM 1523 CB VAL A 105 -1.127 -3.016 7.317 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.433 -2.288 6.020 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -1.494 -4.487 7.184 1.00 1.04 C ATOM 0 H VAL A 105 0.740 -1.078 6.662 1.00 0.13 H new ATOM 0 HA VAL A 105 0.449 -3.128 8.778 1.00 0.15 H new ATOM 0 HB VAL A 105 -1.732 -2.578 8.111 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.481 -2.434 5.760 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -1.235 -1.223 6.145 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -0.803 -2.683 5.223 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -2.541 -4.576 6.894 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -0.866 -4.951 6.424 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.339 -4.989 8.139 1.00 1.04 H new ATOM 1535 N GLN A 106 1.877 -4.725 7.525 1.00 0.18 N ATOM 1536 CA GLN A 106 2.719 -5.670 6.814 1.00 0.20 C ATOM 1537 C GLN A 106 1.867 -6.801 6.246 1.00 0.23 C ATOM 1538 O GLN A 106 0.833 -7.162 6.808 1.00 0.29 O ATOM 1539 CB GLN A 106 3.815 -6.238 7.721 1.00 0.24 C ATOM 1540 CG GLN A 106 4.809 -5.201 8.223 1.00 0.25 C ATOM 1541 CD GLN A 106 6.006 -5.835 8.915 1.00 0.30 C ATOM 1542 OE1 GLN A 106 5.993 -6.056 10.125 1.00 0.55 O ATOM 1543 NE2 GLN A 106 7.052 -6.127 8.150 1.00 0.28 N ATOM 0 H GLN A 106 1.805 -4.892 8.529 1.00 0.18 H new ATOM 0 HA GLN A 106 3.206 -5.139 5.996 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.347 -6.721 8.579 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.357 -7.011 7.176 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.155 -4.597 7.384 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.307 -4.526 8.916 1.00 0.25 H new ATOM 0 HE21 GLN A 106 7.024 -5.928 7.150 1.00 0.28 H new ATOM 0 HE22 GLN A 106 7.883 -6.550 8.563 1.00 0.28 H new ATOM 1552 N THR A 107 2.306 -7.343 5.127 1.00 0.22 N ATOM 1553 CA THR A 107 1.575 -8.379 4.422 1.00 0.27 C ATOM 1554 C THR A 107 2.457 -9.591 4.171 1.00 0.34 C ATOM 1555 O THR A 107 3.578 -9.661 4.685 1.00 0.37 O ATOM 1556 CB THR A 107 1.057 -7.847 3.079 1.00 0.26 C ATOM 1557 OG1 THR A 107 2.071 -7.039 2.464 1.00 0.22 O ATOM 1558 CG2 THR A 107 -0.218 -7.039 3.266 1.00 0.27 C ATOM 0 H THR A 107 3.183 -7.077 4.679 1.00 0.22 H new ATOM 0 HA THR A 107 0.733 -8.676 5.047 1.00 0.27 H new ATOM 0 HB THR A 107 0.824 -8.694 2.434 1.00 0.26 H new ATOM 0 HG1 THR A 107 1.660 -6.240 2.073 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.563 -6.674 2.298 1.00 0.27 H new ATOM 0 HG22 THR A 107 -0.987 -7.671 3.711 1.00 0.27 H new ATOM 0 HG23 THR A 107 -0.019 -6.192 3.923 1.00 0.27 H new ATOM 1566 N ASP A 108 1.947 -10.539 3.389 1.00 0.40 N ATOM 1567 CA ASP A 108 2.704 -11.734 3.018 1.00 0.49 C ATOM 1568 C ASP A 108 4.061 -11.362 2.441 1.00 0.45 C ATOM 1569 O ASP A 108 5.074 -11.963 2.789 1.00 0.53 O ATOM 1570 CB ASP A 108 1.934 -12.583 2.001 1.00 0.60 C ATOM 1571 CG ASP A 108 0.725 -13.266 2.602 1.00 1.37 C ATOM 1572 OD1 ASP A 108 0.899 -14.281 3.310 1.00 2.16 O ATOM 1573 OD2 ASP A 108 -0.407 -12.795 2.366 1.00 1.67 O ATOM 0 H ASP A 108 1.006 -10.503 2.997 1.00 0.40 H new ATOM 0 HA ASP A 108 2.851 -12.318 3.926 1.00 0.49 H new ATOM 0 HB2 ASP A 108 1.614 -11.949 1.174 1.00 0.60 H new ATOM 0 HB3 ASP A 108 2.602 -13.337 1.585 1.00 0.60 H new ATOM 1578 N SER A 109 4.087 -10.368 1.561 1.00 0.39 N ATOM 1579 CA SER A 109 5.346 -9.938 0.990 1.00 0.43 C ATOM 1580 C SER A 109 5.974 -8.806 1.781 1.00 0.53 C ATOM 1581 O SER A 109 7.047 -8.974 2.350 1.00 1.09 O ATOM 1582 CB SER A 109 5.174 -9.511 -0.469 1.00 0.47 C ATOM 1583 OG SER A 109 5.173 -10.637 -1.328 1.00 0.60 O ATOM 0 H SER A 109 3.266 -9.857 1.236 1.00 0.39 H new ATOM 0 HA SER A 109 6.016 -10.797 1.035 1.00 0.43 H new ATOM 0 HB2 SER A 109 4.240 -8.960 -0.583 1.00 0.47 H new ATOM 0 HB3 SER A 109 5.980 -8.834 -0.751 1.00 0.47 H new ATOM 0 HG SER A 109 5.060 -10.341 -2.255 1.00 0.60 H new ATOM 1589 N GLY A 110 5.300 -7.674 1.882 1.00 0.22 N ATOM 1590 CA GLY A 110 5.957 -6.526 2.445 1.00 0.19 C ATOM 1591 C GLY A 110 5.024 -5.602 3.173 1.00 0.16 C ATOM 1592 O GLY A 110 4.247 -6.027 4.017 1.00 0.24 O ATOM 0 H GLY A 110 4.333 -7.533 1.591 1.00 0.22 H new ATOM 0 HA2 GLY A 110 6.733 -6.862 3.132 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.454 -5.974 1.648 1.00 0.19 H new ATOM 1596 N LEU A 111 5.087 -4.340 2.821 1.00 0.12 N ATOM 1597 CA LEU A 111 4.399 -3.299 3.566 1.00 0.11 C ATOM 1598 C LEU A 111 3.332 -2.628 2.727 1.00 0.11 C ATOM 1599 O LEU A 111 3.463 -2.528 1.509 1.00 0.13 O ATOM 1600 CB LEU A 111 5.405 -2.260 4.040 1.00 0.12 C ATOM 1601 CG LEU A 111 5.984 -2.481 5.436 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.677 -3.830 5.547 1.00 0.15 C ATOM 1603 CD2 LEU A 111 6.944 -1.362 5.762 1.00 0.19 C ATOM 0 H LEU A 111 5.612 -4.001 2.015 1.00 0.12 H new ATOM 0 HA LEU A 111 3.911 -3.764 4.423 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.229 -2.228 3.327 1.00 0.12 H new ATOM 0 HB3 LEU A 111 4.926 -1.281 4.017 1.00 0.12 H new ATOM 0 HG LEU A 111 5.165 -2.479 6.155 1.00 0.14 H new ATOM 0 HD11 LEU A 111 7.076 -3.952 6.554 1.00 0.15 H new ATOM 0 HD12 LEU A 111 5.960 -4.625 5.342 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.492 -3.881 4.825 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.359 -1.517 6.758 1.00 0.19 H new ATOM 0 HD22 LEU A 111 7.752 -1.351 5.030 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.415 -0.409 5.734 1.00 0.19 H new ATOM 1615 N HIS A 112 2.272 -2.175 3.384 1.00 0.11 N ATOM 1616 CA HIS A 112 1.176 -1.512 2.695 1.00 0.12 C ATOM 1617 C HIS A 112 0.558 -0.409 3.537 1.00 0.14 C ATOM 1618 O HIS A 112 0.601 -0.445 4.766 1.00 0.22 O ATOM 1619 CB HIS A 112 0.067 -2.504 2.340 1.00 0.14 C ATOM 1620 CG HIS A 112 0.390 -3.419 1.208 1.00 0.16 C ATOM 1621 ND1 HIS A 112 1.032 -4.605 1.190 1.00 0.19 N flip ATOM 1622 CD2 HIS A 112 0.005 -3.171 -0.091 1.00 0.18 C flip ATOM 1623 CE1 HIS A 112 1.018 -5.054 -0.105 1.00 0.22 C flip ATOM 1624 NE2 HIS A 112 0.394 -4.173 -0.858 1.00 0.21 N flip ATOM 0 H HIS A 112 2.149 -2.255 4.393 1.00 0.11 H new ATOM 0 HA HIS A 112 1.606 -1.082 1.790 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.161 -3.104 3.221 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.836 -1.946 2.092 1.00 0.14 H new ATOM 0 HD2 HIS A 112 -0.530 -2.296 -0.429 1.00 0.18 H new ATOM 0 HE1 HIS A 112 1.450 -5.981 -0.452 1.00 0.22 H new ATOM 0 HE2 HIS A 112 0.238 -4.251 -1.863 1.00 0.21 H new ATOM 1633 N ILE A 113 0.028 0.585 2.850 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.958 1.486 3.413 1.00 0.13 C ATOM 1635 C ILE A 113 -2.119 1.566 2.438 1.00 0.12 C ATOM 1636 O ILE A 113 -1.908 1.667 1.226 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.403 2.900 3.670 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.362 3.396 2.444 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.485 2.897 4.904 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.414 4.895 2.321 1.00 0.17 C ATOM 0 H ILE A 113 0.271 0.791 1.881 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.267 1.095 4.382 1.00 0.13 H new ATOM 0 HB ILE A 113 -1.234 3.582 3.851 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.380 3.009 2.483 1.00 0.15 H new ATOM 0 HG13 ILE A 113 -0.102 2.984 1.548 1.00 0.15 H new ATOM 0 HG21 ILE A 113 0.872 3.901 5.076 1.00 0.15 H new ATOM 0 HG22 ILE A 113 -0.096 2.578 5.770 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.317 2.209 4.752 1.00 0.15 H new ATOM 0 HD11 ILE A 113 0.974 5.167 1.426 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.600 5.290 2.249 1.00 0.17 H new ATOM 0 HD13 ILE A 113 0.905 5.315 3.198 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.331 1.463 2.941 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.495 1.446 2.078 1.00 0.11 C ATOM 1654 C ILE A 114 -5.466 2.541 2.490 1.00 0.11 C ATOM 1655 O ILE A 114 -5.579 2.860 3.668 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.228 0.077 2.104 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.244 -1.100 2.044 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.201 -0.018 0.941 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -3.765 -1.575 3.401 1.00 0.18 C ATOM 0 H ILE A 114 -3.536 1.390 3.937 1.00 0.11 H new ATOM 0 HA ILE A 114 -4.141 1.618 1.061 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.771 0.017 3.047 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.721 -1.933 1.527 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.380 -0.807 1.447 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.709 -0.982 0.969 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -6.937 0.782 1.016 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.656 0.077 0.002 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -3.074 -2.408 3.272 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.257 -0.758 3.914 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -4.619 -1.901 3.995 1.00 0.18 H new ATOM 1671 N LYS A 115 -6.133 3.136 1.516 1.00 0.13 N ATOM 1672 CA LYS A 115 -7.175 4.108 1.788 1.00 0.14 C ATOM 1673 C LYS A 115 -8.415 3.742 0.982 1.00 0.15 C ATOM 1674 O LYS A 115 -8.309 3.355 -0.182 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.715 5.529 1.437 1.00 0.16 C ATOM 1676 CG LYS A 115 -6.757 5.847 -0.049 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.400 7.293 -0.313 1.00 0.24 C ATOM 1678 CE LYS A 115 -6.841 7.737 -1.695 1.00 0.35 C ATOM 1679 NZ LYS A 115 -6.590 9.185 -1.912 1.00 0.61 N ATOM 0 H LYS A 115 -5.969 2.961 0.525 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.405 4.090 2.853 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.343 6.244 1.968 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.696 5.669 1.799 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -6.064 5.196 -0.582 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -7.753 5.639 -0.439 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -6.869 7.927 0.440 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.323 7.426 -0.215 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -6.309 7.158 -2.450 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -7.903 7.528 -1.823 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -6.904 9.452 -2.867 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -7.117 9.738 -1.207 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -5.573 9.379 -1.815 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.585 3.846 1.587 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.810 3.468 0.896 1.00 0.17 C ATOM 1695 C ARG A 116 -11.311 4.598 0.001 1.00 0.19 C ATOM 1696 O ARG A 116 -11.324 5.759 0.400 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.897 3.041 1.890 1.00 0.21 C ATOM 1698 CG ARG A 116 -13.281 3.003 1.273 1.00 0.28 C ATOM 1699 CD ARG A 116 -14.192 1.984 1.905 1.00 0.49 C ATOM 1700 NE ARG A 116 -14.376 2.155 3.333 1.00 0.79 N ATOM 1701 CZ ARG A 116 -15.569 2.068 3.925 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -16.670 1.977 3.186 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -15.663 2.092 5.247 1.00 1.87 N ATOM 0 H ARG A 116 -9.715 4.183 2.541 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.578 2.613 0.261 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.654 2.054 2.284 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -11.900 3.730 2.735 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.736 3.990 1.360 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -13.190 2.787 0.209 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -15.165 2.031 1.417 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -13.790 0.988 1.719 1.00 0.49 H new ATOM 0 HE ARG A 116 -13.558 2.350 3.910 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -16.602 1.974 2.168 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -17.583 1.910 3.637 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -14.821 2.177 5.817 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -16.577 2.025 5.695 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.708 4.237 -1.215 1.00 0.22 N ATOM 1718 CA LEU A 117 -12.259 5.189 -2.174 1.00 0.27 C ATOM 1719 C LEU A 117 -13.777 5.076 -2.244 1.00 0.29 C ATOM 1720 O LEU A 117 -14.468 6.056 -2.521 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.680 4.954 -3.574 1.00 0.32 C ATOM 1722 CG LEU A 117 -10.356 5.647 -3.895 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -10.177 6.891 -3.061 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -9.196 4.701 -3.696 1.00 0.80 C ATOM 0 H LEU A 117 -11.657 3.280 -1.563 1.00 0.22 H new ATOM 0 HA LEU A 117 -11.986 6.187 -1.831 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.544 3.881 -3.710 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -12.420 5.277 -4.307 1.00 0.32 H new ATOM 0 HG LEU A 117 -10.380 5.946 -4.943 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -9.227 7.363 -3.311 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -10.992 7.586 -3.265 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -10.183 6.624 -2.004 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -8.263 5.215 -3.930 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.175 4.364 -2.660 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -9.311 3.840 -4.355 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.286 3.875 -2.009 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.717 3.628 -2.073 1.00 0.30 C ATOM 1738 C ALA A 118 -16.078 2.360 -1.314 1.00 0.30 C ATOM 1739 O ALA A 118 -16.505 2.463 -0.145 1.00 1.10 O ATOM 1740 CB ALA A 118 -16.171 3.524 -3.519 1.00 0.39 C ATOM 1741 OXT ALA A 118 -15.915 1.267 -1.887 1.00 1.09 O ATOM 0 H ALA A 118 -13.727 3.056 -1.772 1.00 0.26 H new ATOM 0 HA ALA A 118 -16.231 4.467 -1.604 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -17.245 3.339 -3.551 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -15.948 4.456 -4.038 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.647 2.702 -4.007 1.00 0.39 H new TER 1747 ALA A 118