USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 840 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 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 114 SER OG : rot 87:sc= 0.315 USER MOD Set 2.1: A 51 SER OG : rot 180:sc= 0.0912 USER MOD Set 2.2: A 52 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 30 ASN : amide:sc= 0.662 K(o=1.7,f=-0.74) USER MOD Set 3.2: A 98 LYS NZ :NH3+ -106:sc= 1.04 (180deg=0.0974) USER MOD Single : A 1 GLN : amide:sc= 0.943 K(o=0.94,f=-7!) USER MOD Single : A 1 GLN N :NH3+ 158:sc= 1.32 (180deg=1.23) USER MOD Single : A 3 GLN : amide:sc= -0.04 X(o=-0.04,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.798 K(o=0.8,f=-4.4!) USER MOD Single : A 12 SER OG : rot 8:sc= 0.513 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.524 F(o=-3.1!,f=-0.52) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 32 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.4!) USER MOD Single : A 34 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 35 SER OG : rot 65:sc= 1.78 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 37 MET CE :methyl -158:sc= -0.223 (180deg=-1.26) USER MOD Single : A 39 SER OG : rot -74:sc= 1.19 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 1.03 K(o=1,f=-0.42) USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= -0.0259 (180deg=-0.166) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -65:sc= 1.25 USER MOD Single : A 64 GLN : amide:sc= -0.435 X(o=-0.44,f=-0.081) USER MOD Single : A 66 ASN : amide:sc= 0.968 K(o=0.97,f=-2.4!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0559 USER MOD Single : A 81 GLN : amide:sc= -0.277 K(o=-0.28,f=-0.8) USER MOD Single : A 84 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc=-0.00683 X(o=-0.0068,f=0) USER MOD Single : A 94 THR OG1 : rot 63:sc= 1.04 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.062 K(o=-0.062,f=-1.5) USER MOD Single : A 106 LYS NZ :NH3+ 150:sc= 1.24 (180deg=1.1) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 109 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0985) USER MOD Single : A 115 ASN : amide:sc=-0.00119 K(o=-0.0012,f=-1.1) USER MOD Single : A 118 SER OG : rot -90:sc= 1.2 USER MOD Single : A 121 SER OG : rot 180:sc= 0.385 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= -0.133 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.113 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 57.022 -6.682 -7.071 1.00 73.12 N ATOM 2 CA GLN A 1 55.672 -6.326 -6.583 1.00 63.14 C ATOM 3 C GLN A 1 55.059 -5.358 -7.592 1.00 1.14 C ATOM 4 O GLN A 1 55.791 -4.813 -8.413 1.00 42.54 O ATOM 5 CB GLN A 1 55.692 -5.701 -5.166 1.00 45.14 C ATOM 6 CG GLN A 1 55.705 -6.704 -3.994 1.00 45.12 C ATOM 7 CD GLN A 1 57.057 -7.382 -3.769 1.00 72.42 C ATOM 8 OE1 GLN A 1 57.680 -7.829 -4.724 1.00 31.02 O ATOM 9 NE2 GLN A 1 57.541 -7.464 -2.545 1.00 41.32 N ATOM 0 H1 GLN A 1 57.601 -7.018 -6.275 1.00 73.12 H new ATOM 0 H2 GLN A 1 56.946 -7.434 -7.785 1.00 73.12 H new ATOM 0 H3 GLN A 1 57.469 -5.845 -7.496 1.00 73.12 H new ATOM 0 HA GLN A 1 55.075 -7.234 -6.496 1.00 63.14 H new ATOM 0 HB2 GLN A 1 56.571 -5.062 -5.083 1.00 45.14 H new ATOM 0 HB3 GLN A 1 54.819 -5.058 -5.060 1.00 45.14 H new ATOM 0 HG2 GLN A 1 55.415 -6.184 -3.081 1.00 45.12 H new ATOM 0 HG3 GLN A 1 54.952 -7.471 -4.177 1.00 45.12 H new ATOM 0 HE21 GLN A 1 57.010 -7.087 -1.760 1.00 41.32 H new ATOM 0 HE22 GLN A 1 58.447 -7.905 -2.383 1.00 41.32 H new ATOM 16 N ALA A 2 53.746 -5.140 -7.527 1.00 70.32 N ATOM 17 CA ALA A 2 53.043 -4.042 -8.180 1.00 4.15 C ATOM 18 C ALA A 2 52.144 -3.405 -7.115 1.00 44.24 C ATOM 19 O ALA A 2 52.062 -3.930 -6.002 1.00 31.45 O ATOM 20 CB ALA A 2 52.243 -4.567 -9.379 1.00 25.03 C ATOM 0 H ALA A 2 53.121 -5.748 -6.997 1.00 70.32 H new ATOM 0 HA ALA A 2 53.731 -3.295 -8.577 1.00 4.15 H new ATOM 0 HB1 ALA A 2 51.722 -3.739 -9.859 1.00 25.03 H new ATOM 0 HB2 ALA A 2 52.922 -5.032 -10.094 1.00 25.03 H new ATOM 0 HB3 ALA A 2 51.516 -5.304 -9.037 1.00 25.03 H new ATOM 26 N GLN A 3 51.491 -2.292 -7.441 1.00 63.20 N ATOM 27 CA GLN A 3 50.518 -1.605 -6.596 1.00 30.35 C ATOM 28 C GLN A 3 49.379 -1.124 -7.505 1.00 71.11 C ATOM 29 O GLN A 3 49.430 -1.340 -8.717 1.00 11.25 O ATOM 30 CB GLN A 3 51.177 -0.440 -5.829 1.00 74.24 C ATOM 31 CG GLN A 3 52.336 -0.894 -4.923 1.00 71.02 C ATOM 32 CD GLN A 3 52.826 0.175 -3.944 1.00 30.02 C ATOM 33 OE1 GLN A 3 53.197 -0.137 -2.823 1.00 34.22 O ATOM 34 NE2 GLN A 3 52.876 1.441 -4.330 1.00 34.34 N ATOM 0 H GLN A 3 51.631 -1.826 -8.337 1.00 63.20 H new ATOM 0 HA GLN A 3 50.122 -2.279 -5.837 1.00 30.35 H new ATOM 0 HB2 GLN A 3 51.548 0.294 -6.544 1.00 74.24 H new ATOM 0 HB3 GLN A 3 50.423 0.060 -5.221 1.00 74.24 H new ATOM 0 HG2 GLN A 3 52.018 -1.770 -4.357 1.00 71.02 H new ATOM 0 HG3 GLN A 3 53.171 -1.206 -5.550 1.00 71.02 H new ATOM 0 HE21 GLN A 3 52.566 1.701 -5.266 1.00 34.34 H new ATOM 0 HE22 GLN A 3 53.224 2.156 -3.691 1.00 34.34 H new ATOM 41 N GLY A 4 48.369 -0.472 -6.933 1.00 22.24 N ATOM 42 CA GLY A 4 47.241 0.107 -7.645 1.00 61.42 C ATOM 43 C GLY A 4 46.827 1.389 -6.934 1.00 54.34 C ATOM 44 O GLY A 4 47.564 1.885 -6.079 1.00 44.12 O ATOM 0 H GLY A 4 48.315 -0.329 -5.924 1.00 22.24 H new ATOM 0 HA2 GLY A 4 47.514 0.318 -8.679 1.00 61.42 H new ATOM 0 HA3 GLY A 4 46.409 -0.597 -7.672 1.00 61.42 H new ATOM 48 N VAL A 5 45.663 1.930 -7.280 1.00 14.32 N ATOM 49 CA VAL A 5 45.009 2.955 -6.490 1.00 44.20 C ATOM 50 C VAL A 5 44.327 2.252 -5.319 1.00 1.53 C ATOM 51 O VAL A 5 43.655 1.236 -5.495 1.00 14.32 O ATOM 52 CB VAL A 5 44.028 3.781 -7.352 1.00 32.34 C ATOM 53 CG1 VAL A 5 44.812 4.702 -8.300 1.00 32.41 C ATOM 54 CG2 VAL A 5 43.045 2.945 -8.194 1.00 10.13 C ATOM 0 H VAL A 5 45.149 1.665 -8.120 1.00 14.32 H new ATOM 0 HA VAL A 5 45.729 3.678 -6.107 1.00 44.20 H new ATOM 0 HB VAL A 5 43.429 4.345 -6.637 1.00 32.34 H new ATOM 0 HG11 VAL A 5 44.114 5.281 -8.904 1.00 32.41 H new ATOM 0 HG12 VAL A 5 45.435 5.379 -7.716 1.00 32.41 H new ATOM 0 HG13 VAL A 5 45.444 4.100 -8.953 1.00 32.41 H new ATOM 0 HG21 VAL A 5 42.397 3.611 -8.765 1.00 10.13 H new ATOM 0 HG22 VAL A 5 43.604 2.307 -8.879 1.00 10.13 H new ATOM 0 HG23 VAL A 5 42.437 2.325 -7.535 1.00 10.13 H new ATOM 64 N LEU A 6 44.527 2.793 -4.125 1.00 65.12 N ATOM 65 CA LEU A 6 43.842 2.451 -2.892 1.00 45.30 C ATOM 66 C LEU A 6 43.575 3.746 -2.125 1.00 1.22 C ATOM 67 O LEU A 6 44.338 4.702 -2.268 1.00 52.21 O ATOM 68 CB LEU A 6 44.640 1.439 -2.057 1.00 45.30 C ATOM 69 CG LEU A 6 46.112 1.812 -1.769 1.00 31.22 C ATOM 70 CD1 LEU A 6 46.538 1.394 -0.358 1.00 5.25 C ATOM 71 CD2 LEU A 6 47.010 1.112 -2.790 1.00 64.04 C ATOM 0 H LEU A 6 45.218 3.530 -3.986 1.00 65.12 H new ATOM 0 HA LEU A 6 42.896 1.960 -3.119 1.00 45.30 H new ATOM 0 HB2 LEU A 6 44.128 1.299 -1.105 1.00 45.30 H new ATOM 0 HB3 LEU A 6 44.623 0.479 -2.572 1.00 45.30 H new ATOM 0 HG LEU A 6 46.209 2.895 -1.844 1.00 31.22 H new ATOM 0 HD11 LEU A 6 47.579 1.674 -0.194 1.00 5.25 H new ATOM 0 HD12 LEU A 6 45.908 1.896 0.376 1.00 5.25 H new ATOM 0 HD13 LEU A 6 46.431 0.315 -0.250 1.00 5.25 H new ATOM 0 HD21 LEU A 6 48.051 1.369 -2.595 1.00 64.04 H new ATOM 0 HD22 LEU A 6 46.881 0.033 -2.708 1.00 64.04 H new ATOM 0 HD23 LEU A 6 46.739 1.435 -3.795 1.00 64.04 H new ATOM 82 N ALA A 7 42.512 3.779 -1.321 1.00 34.21 N ATOM 83 CA ALA A 7 42.137 4.899 -0.466 1.00 21.24 C ATOM 84 C ALA A 7 41.288 4.365 0.684 1.00 73.31 C ATOM 85 O ALA A 7 40.724 3.273 0.599 1.00 22.01 O ATOM 86 CB ALA A 7 41.343 5.935 -1.274 1.00 31.01 C ATOM 0 H ALA A 7 41.865 2.994 -1.247 1.00 34.21 H new ATOM 0 HA ALA A 7 43.031 5.384 -0.073 1.00 21.24 H new ATOM 0 HB1 ALA A 7 41.067 6.768 -0.627 1.00 31.01 H new ATOM 0 HB2 ALA A 7 41.956 6.302 -2.097 1.00 31.01 H new ATOM 0 HB3 ALA A 7 40.441 5.471 -1.673 1.00 31.01 H new ATOM 92 N SER A 8 41.190 5.158 1.745 1.00 11.53 N ATOM 93 CA SER A 8 40.344 4.896 2.893 1.00 13.11 C ATOM 94 C SER A 8 38.897 5.269 2.569 1.00 52.43 C ATOM 95 O SER A 8 38.640 6.314 1.960 1.00 30.34 O ATOM 96 CB SER A 8 40.874 5.755 4.037 1.00 51.21 C ATOM 97 OG SER A 8 42.023 5.148 4.601 1.00 43.31 O ATOM 0 H SER A 8 41.716 6.028 1.828 1.00 11.53 H new ATOM 0 HA SER A 8 40.361 3.840 3.164 1.00 13.11 H new ATOM 0 HB2 SER A 8 41.121 6.752 3.671 1.00 51.21 H new ATOM 0 HB3 SER A 8 40.104 5.876 4.799 1.00 51.21 H new ATOM 0 HG SER A 8 42.360 5.704 5.334 1.00 43.31 H new ATOM 102 N GLN A 9 37.955 4.442 3.009 1.00 5.54 N ATOM 103 CA GLN A 9 36.522 4.699 2.960 1.00 45.21 C ATOM 104 C GLN A 9 36.150 5.798 3.967 1.00 32.02 C ATOM 105 O GLN A 9 36.871 5.982 4.954 1.00 74.43 O ATOM 106 CB GLN A 9 35.761 3.406 3.310 1.00 41.54 C ATOM 107 CG GLN A 9 36.088 2.176 2.439 1.00 43.31 C ATOM 108 CD GLN A 9 37.291 1.342 2.898 1.00 51.21 C ATOM 109 OE1 GLN A 9 38.103 1.745 3.727 1.00 63.13 O ATOM 110 NE2 GLN A 9 37.431 0.125 2.405 1.00 52.54 N ATOM 0 H GLN A 9 38.179 3.538 3.426 1.00 5.54 H new ATOM 0 HA GLN A 9 36.251 5.028 1.957 1.00 45.21 H new ATOM 0 HB2 GLN A 9 35.968 3.156 4.350 1.00 41.54 H new ATOM 0 HB3 GLN A 9 34.692 3.605 3.237 1.00 41.54 H new ATOM 0 HG2 GLN A 9 35.210 1.530 2.409 1.00 43.31 H new ATOM 0 HG3 GLN A 9 36.270 2.513 1.419 1.00 43.31 H new ATOM 0 HE21 GLN A 9 36.766 -0.226 1.716 1.00 52.54 H new ATOM 0 HE22 GLN A 9 38.204 -0.464 2.713 1.00 52.54 H new ATOM 117 N ALA A 10 35.012 6.473 3.764 1.00 4.14 N ATOM 118 CA ALA A 10 34.353 7.300 4.772 1.00 2.15 C ATOM 119 C ALA A 10 32.845 7.326 4.494 1.00 24.44 C ATOM 120 O ALA A 10 32.421 7.305 3.336 1.00 54.23 O ATOM 121 CB ALA A 10 34.925 8.724 4.751 1.00 12.54 C ATOM 0 H ALA A 10 34.516 6.456 2.873 1.00 4.14 H new ATOM 0 HA ALA A 10 34.531 6.877 5.761 1.00 2.15 H new ATOM 0 HB1 ALA A 10 34.424 9.328 5.507 1.00 12.54 H new ATOM 0 HB2 ALA A 10 35.994 8.690 4.963 1.00 12.54 H new ATOM 0 HB3 ALA A 10 34.764 9.166 3.768 1.00 12.54 H new ATOM 127 N LEU A 11 32.021 7.411 5.539 1.00 50.43 N ATOM 128 CA LEU A 11 30.577 7.643 5.426 1.00 61.42 C ATOM 129 C LEU A 11 30.312 9.135 5.207 1.00 51.34 C ATOM 130 O LEU A 11 31.226 9.967 5.235 1.00 22.14 O ATOM 131 CB LEU A 11 29.849 7.116 6.687 1.00 70.04 C ATOM 132 CG LEU A 11 29.233 5.718 6.503 1.00 61.44 C ATOM 133 CD1 LEU A 11 30.270 4.677 6.077 1.00 4.31 C ATOM 134 CD2 LEU A 11 28.575 5.254 7.807 1.00 31.44 C ATOM 0 H LEU A 11 32.341 7.319 6.503 1.00 50.43 H new ATOM 0 HA LEU A 11 30.186 7.097 4.568 1.00 61.42 H new ATOM 0 HB2 LEU A 11 30.554 7.087 7.518 1.00 70.04 H new ATOM 0 HB3 LEU A 11 29.061 7.818 6.962 1.00 70.04 H new ATOM 0 HG LEU A 11 28.490 5.804 5.710 1.00 61.44 H new ATOM 0 HD11 LEU A 11 29.786 3.707 5.960 1.00 4.31 H new ATOM 0 HD12 LEU A 11 30.717 4.976 5.129 1.00 4.31 H new ATOM 0 HD13 LEU A 11 31.047 4.605 6.838 1.00 4.31 H new ATOM 0 HD21 LEU A 11 28.143 4.264 7.664 1.00 31.44 H new ATOM 0 HD22 LEU A 11 29.324 5.212 8.598 1.00 31.44 H new ATOM 0 HD23 LEU A 11 27.790 5.956 8.088 1.00 31.44 H new ATOM 145 N SER A 12 29.052 9.502 4.996 1.00 31.32 N ATOM 146 CA SER A 12 28.540 10.868 5.047 1.00 73.44 C ATOM 147 C SER A 12 27.095 10.821 5.560 1.00 61.21 C ATOM 148 O SER A 12 26.556 9.735 5.789 1.00 44.41 O ATOM 149 CB SER A 12 28.644 11.501 3.655 1.00 61.40 C ATOM 150 OG SER A 12 30.004 11.649 3.299 1.00 22.35 O ATOM 0 H SER A 12 28.325 8.822 4.774 1.00 31.32 H new ATOM 0 HA SER A 12 29.125 11.487 5.727 1.00 73.44 H new ATOM 0 HB2 SER A 12 28.132 10.877 2.922 1.00 61.40 H new ATOM 0 HB3 SER A 12 28.149 12.472 3.649 1.00 61.40 H new ATOM 0 HG SER A 12 30.567 11.203 3.965 1.00 22.35 H new ATOM 155 N GLN A 13 26.471 11.983 5.761 1.00 71.11 N ATOM 156 CA GLN A 13 25.111 12.117 6.279 1.00 1.34 C ATOM 157 C GLN A 13 24.290 13.012 5.343 1.00 13.43 C ATOM 158 O GLN A 13 24.761 13.373 4.257 1.00 1.32 O ATOM 159 CB GLN A 13 25.162 12.621 7.740 1.00 50.10 C ATOM 160 CG GLN A 13 25.635 14.081 7.888 1.00 63.12 C ATOM 161 CD GLN A 13 25.622 14.570 9.333 1.00 12.22 C ATOM 162 OE1 GLN A 13 26.008 13.848 10.253 1.00 25.03 O ATOM 163 NE2 GLN A 13 25.154 15.781 9.591 1.00 11.11 N ATOM 0 H GLN A 13 26.911 12.881 5.562 1.00 71.11 H new ATOM 0 HA GLN A 13 24.606 11.152 6.303 1.00 1.34 H new ATOM 0 HB2 GLN A 13 24.169 12.526 8.180 1.00 50.10 H new ATOM 0 HB3 GLN A 13 25.828 11.975 8.312 1.00 50.10 H new ATOM 0 HG2 GLN A 13 26.645 14.172 7.489 1.00 63.12 H new ATOM 0 HG3 GLN A 13 24.995 14.727 7.286 1.00 63.12 H new ATOM 0 HE21 GLN A 13 24.835 16.378 8.828 1.00 11.11 H new ATOM 0 HE22 GLN A 13 25.113 16.118 10.553 1.00 11.11 H new ATOM 170 N GLY A 14 23.080 13.379 5.767 1.00 61.10 N ATOM 171 CA GLY A 14 22.337 14.476 5.175 1.00 61.34 C ATOM 172 C GLY A 14 21.238 13.971 4.256 1.00 32.24 C ATOM 173 O GLY A 14 21.498 13.356 3.220 1.00 51.13 O ATOM 0 H GLY A 14 22.592 12.917 6.534 1.00 61.10 H new ATOM 0 HA2 GLY A 14 21.900 15.089 5.964 1.00 61.34 H new ATOM 0 HA3 GLY A 14 23.017 15.116 4.613 1.00 61.34 H new ATOM 177 N SER A 15 19.996 14.257 4.625 1.00 61.14 N ATOM 178 CA SER A 15 18.829 14.149 3.779 1.00 21.32 C ATOM 179 C SER A 15 17.915 15.303 4.186 1.00 53.14 C ATOM 180 O SER A 15 17.839 15.651 5.370 1.00 32.42 O ATOM 181 CB SER A 15 18.186 12.765 3.944 1.00 74.41 C ATOM 182 OG SER A 15 18.182 12.314 5.292 1.00 21.42 O ATOM 0 H SER A 15 19.772 14.584 5.565 1.00 61.14 H new ATOM 0 HA SER A 15 19.061 14.228 2.717 1.00 21.32 H new ATOM 0 HB2 SER A 15 17.161 12.800 3.575 1.00 74.41 H new ATOM 0 HB3 SER A 15 18.723 12.045 3.327 1.00 74.41 H new ATOM 0 HG SER A 15 17.761 11.431 5.340 1.00 21.42 H new ATOM 187 N GLU A 16 17.226 15.893 3.217 1.00 11.13 N ATOM 188 CA GLU A 16 16.503 17.155 3.356 1.00 43.33 C ATOM 189 C GLU A 16 15.045 16.909 2.939 1.00 32.44 C ATOM 190 O GLU A 16 14.671 17.183 1.792 1.00 11.53 O ATOM 191 CB GLU A 16 17.210 18.218 2.503 1.00 41.12 C ATOM 192 CG GLU A 16 18.562 18.656 3.100 1.00 30.44 C ATOM 193 CD GLU A 16 19.449 19.314 2.042 1.00 4.15 C ATOM 194 OE1 GLU A 16 18.972 20.264 1.380 1.00 25.04 O ATOM 195 OE2 GLU A 16 20.587 18.827 1.839 1.00 54.20 O ATOM 0 H GLU A 16 17.152 15.494 2.281 1.00 11.13 H new ATOM 0 HA GLU A 16 16.496 17.524 4.382 1.00 43.33 H new ATOM 0 HB2 GLU A 16 17.371 17.825 1.499 1.00 41.12 H new ATOM 0 HB3 GLU A 16 16.562 19.089 2.404 1.00 41.12 H new ATOM 0 HG2 GLU A 16 18.391 19.354 3.920 1.00 30.44 H new ATOM 0 HG3 GLU A 16 19.074 17.790 3.520 1.00 30.44 H new ATOM 200 N PRO A 17 14.228 16.309 3.824 1.00 74.23 N ATOM 201 CA PRO A 17 12.886 15.853 3.493 1.00 4.33 C ATOM 202 C PRO A 17 11.856 16.988 3.540 1.00 72.33 C ATOM 203 O PRO A 17 11.945 17.902 4.370 1.00 61.41 O ATOM 204 CB PRO A 17 12.589 14.806 4.569 1.00 23.35 C ATOM 205 CG PRO A 17 13.321 15.327 5.801 1.00 3.45 C ATOM 206 CD PRO A 17 14.589 15.888 5.173 1.00 62.31 C ATOM 0 HA PRO A 17 12.827 15.463 2.477 1.00 4.33 H new ATOM 0 HB2 PRO A 17 11.518 14.712 4.750 1.00 23.35 H new ATOM 0 HB3 PRO A 17 12.950 13.820 4.277 1.00 23.35 H new ATOM 0 HG2 PRO A 17 12.749 16.091 6.327 1.00 3.45 H new ATOM 0 HG3 PRO A 17 13.533 14.535 6.520 1.00 3.45 H new ATOM 0 HD2 PRO A 17 14.971 16.728 5.753 1.00 62.31 H new ATOM 0 HD3 PRO A 17 15.376 15.134 5.147 1.00 62.31 H new ATOM 211 N SER A 18 10.830 16.888 2.696 1.00 1.21 N ATOM 212 CA SER A 18 9.584 17.636 2.792 1.00 2.31 C ATOM 213 C SER A 18 8.657 16.969 3.818 1.00 74.41 C ATOM 214 O SER A 18 8.840 15.796 4.178 1.00 72.23 O ATOM 215 CB SER A 18 8.890 17.652 1.423 1.00 62.10 C ATOM 216 OG SER A 18 9.730 18.181 0.413 1.00 2.23 O ATOM 0 H SER A 18 10.848 16.257 1.895 1.00 1.21 H new ATOM 0 HA SER A 18 9.802 18.656 3.107 1.00 2.31 H new ATOM 0 HB2 SER A 18 8.593 16.638 1.154 1.00 62.10 H new ATOM 0 HB3 SER A 18 7.978 18.246 1.485 1.00 62.10 H new ATOM 0 HG SER A 18 9.255 18.174 -0.444 1.00 2.23 H new ATOM 221 N SER A 19 7.603 17.679 4.214 1.00 13.24 N ATOM 222 CA SER A 19 6.520 17.152 5.044 1.00 40.51 C ATOM 223 C SER A 19 5.219 16.981 4.242 1.00 0.55 C ATOM 224 O SER A 19 4.320 16.274 4.698 1.00 3.34 O ATOM 225 CB SER A 19 6.374 18.076 6.259 1.00 1.52 C ATOM 226 OG SER A 19 7.538 17.944 7.067 1.00 61.21 O ATOM 0 H SER A 19 7.474 18.659 3.962 1.00 13.24 H new ATOM 0 HA SER A 19 6.757 16.147 5.394 1.00 40.51 H new ATOM 0 HB2 SER A 19 6.252 19.110 5.936 1.00 1.52 H new ATOM 0 HB3 SER A 19 5.484 17.813 6.831 1.00 1.52 H new ATOM 0 HG SER A 19 7.462 18.530 7.849 1.00 61.21 H new ATOM 231 N GLU A 20 5.163 17.571 3.040 1.00 23.42 N ATOM 232 CA GLU A 20 4.055 17.608 2.082 1.00 60.24 C ATOM 233 C GLU A 20 2.722 18.039 2.725 1.00 31.13 C ATOM 234 O GLU A 20 2.643 18.339 3.920 1.00 75.32 O ATOM 235 CB GLU A 20 4.010 16.296 1.264 1.00 4.35 C ATOM 236 CG GLU A 20 3.549 16.511 -0.197 1.00 74.42 C ATOM 237 CD GLU A 20 3.642 15.259 -1.085 1.00 4.11 C ATOM 238 OE1 GLU A 20 4.225 14.234 -0.669 1.00 2.24 O ATOM 239 OE2 GLU A 20 3.113 15.276 -2.222 1.00 20.32 O ATOM 0 H GLU A 20 5.970 18.082 2.682 1.00 23.42 H new ATOM 0 HA GLU A 20 4.239 18.401 1.358 1.00 60.24 H new ATOM 0 HB2 GLU A 20 5.000 15.840 1.264 1.00 4.35 H new ATOM 0 HB3 GLU A 20 3.336 15.593 1.752 1.00 4.35 H new ATOM 0 HG2 GLU A 20 2.517 16.861 -0.191 1.00 74.42 H new ATOM 0 HG3 GLU A 20 4.152 17.303 -0.642 1.00 74.42 H new ATOM 244 N ASN A 21 1.663 18.146 1.923 1.00 15.44 N ATOM 245 CA ASN A 21 0.309 18.288 2.439 1.00 32.24 C ATOM 246 C ASN A 21 -0.146 16.930 2.966 1.00 35.35 C ATOM 247 O ASN A 21 0.226 15.884 2.431 1.00 64.00 O ATOM 248 CB ASN A 21 -0.635 18.829 1.360 1.00 61.43 C ATOM 249 CG ASN A 21 -0.706 20.345 1.442 1.00 32.42 C ATOM 250 OD1 ASN A 21 -1.530 20.888 2.174 1.00 12.31 O ATOM 251 ND2 ASN A 21 0.150 21.068 0.742 1.00 60.42 N ATOM 0 H ASN A 21 1.722 18.136 0.905 1.00 15.44 H new ATOM 0 HA ASN A 21 0.291 19.012 3.253 1.00 32.24 H new ATOM 0 HB2 ASN A 21 -0.284 18.526 0.373 1.00 61.43 H new ATOM 0 HB3 ASN A 21 -1.630 18.403 1.489 1.00 61.43 H new ATOM 0 HD21 ASN A 21 0.130 22.086 0.807 1.00 60.42 H new ATOM 0 HD22 ASN A 21 0.831 20.608 0.137 1.00 60.42 H new ATOM 257 N ALA A 22 -0.982 16.938 4.000 1.00 11.54 N ATOM 258 CA ALA A 22 -1.231 15.774 4.826 1.00 62.03 C ATOM 259 C ALA A 22 -2.197 14.837 4.126 1.00 43.24 C ATOM 260 O ALA A 22 -3.383 15.151 3.983 1.00 21.31 O ATOM 261 CB ALA A 22 -1.802 16.210 6.180 1.00 13.23 C ATOM 0 H ALA A 22 -1.508 17.764 4.286 1.00 11.54 H new ATOM 0 HA ALA A 22 -0.292 15.247 4.992 1.00 62.03 H new ATOM 0 HB1 ALA A 22 -1.987 15.331 6.797 1.00 13.23 H new ATOM 0 HB2 ALA A 22 -1.088 16.862 6.683 1.00 13.23 H new ATOM 0 HB3 ALA A 22 -2.737 16.748 6.024 1.00 13.23 H new ATOM 267 N ASN A 23 -1.704 13.653 3.793 1.00 2.21 N ATOM 268 CA ASN A 23 -2.519 12.508 3.427 1.00 52.54 C ATOM 269 C ASN A 23 -2.317 11.426 4.497 1.00 35.24 C ATOM 270 O ASN A 23 -1.718 11.715 5.540 1.00 21.01 O ATOM 271 CB ASN A 23 -2.160 12.110 1.993 1.00 43.44 C ATOM 272 CG ASN A 23 -3.081 11.054 1.373 1.00 15.33 C ATOM 273 OD1 ASN A 23 -4.304 10.898 1.854 1.00 24.32 O flip ATOM 274 ND2 ASN A 23 -2.705 10.338 0.452 1.00 34.12 N flip ATOM 0 H ASN A 23 -0.703 13.459 3.770 1.00 2.21 H new ATOM 0 HA ASN A 23 -3.590 12.712 3.413 1.00 52.54 H new ATOM 0 HB2 ASN A 23 -2.179 13.002 1.367 1.00 43.44 H new ATOM 0 HB3 ASN A 23 -1.137 11.733 1.980 1.00 43.44 H new ATOM 0 HD21 ASN A 23 -1.765 10.448 0.072 1.00 34.12 H new ATOM 0 HD22 ASN A 23 -3.332 9.633 0.066 1.00 34.12 H new ATOM 280 N ASP A 24 -2.878 10.229 4.325 1.00 32.02 N ATOM 281 CA ASP A 24 -2.814 9.137 5.290 1.00 72.11 C ATOM 282 C ASP A 24 -2.281 7.941 4.522 1.00 62.41 C ATOM 283 O ASP A 24 -3.022 7.271 3.800 1.00 11.11 O ATOM 284 CB ASP A 24 -4.178 8.786 5.922 1.00 43.34 C ATOM 285 CG ASP A 24 -4.978 9.992 6.382 1.00 24.12 C ATOM 286 OD1 ASP A 24 -4.553 10.630 7.372 1.00 35.14 O ATOM 287 OD2 ASP A 24 -6.045 10.266 5.789 1.00 33.15 O ATOM 0 H ASP A 24 -3.404 9.988 3.485 1.00 32.02 H new ATOM 0 HA ASP A 24 -2.179 9.431 6.126 1.00 72.11 H new ATOM 0 HB2 ASP A 24 -4.769 8.227 5.197 1.00 43.34 H new ATOM 0 HB3 ASP A 24 -4.012 8.127 6.774 1.00 43.34 H new ATOM 291 N THR A 25 -0.972 7.712 4.554 1.00 4.13 N ATOM 292 CA THR A 25 -0.359 6.652 3.765 1.00 72.41 C ATOM 293 C THR A 25 0.769 6.039 4.590 1.00 12.42 C ATOM 294 O THR A 25 1.710 6.731 4.998 1.00 31.35 O ATOM 295 CB THR A 25 0.055 7.250 2.405 1.00 24.24 C ATOM 296 OG1 THR A 25 -1.111 7.765 1.795 1.00 35.23 O ATOM 297 CG2 THR A 25 0.671 6.306 1.368 1.00 54.24 C ATOM 0 H THR A 25 -0.315 8.249 5.120 1.00 4.13 H new ATOM 0 HA THR A 25 -1.035 5.829 3.534 1.00 72.41 H new ATOM 0 HB THR A 25 0.833 7.970 2.660 1.00 24.24 H new ATOM 0 HG1 THR A 25 -0.881 8.155 0.926 1.00 35.23 H new ATOM 0 HG21 THR A 25 0.911 6.866 0.464 1.00 54.24 H new ATOM 0 HG22 THR A 25 1.581 5.864 1.774 1.00 54.24 H new ATOM 0 HG23 THR A 25 -0.040 5.516 1.127 1.00 54.24 H new ATOM 305 N ILE A 26 0.655 4.743 4.891 1.00 53.50 N ATOM 306 CA ILE A 26 1.730 3.975 5.510 1.00 54.32 C ATOM 307 C ILE A 26 2.903 3.997 4.524 1.00 24.35 C ATOM 308 O ILE A 26 2.722 4.137 3.305 1.00 51.50 O ATOM 309 CB ILE A 26 1.250 2.542 5.871 1.00 64.30 C ATOM 310 CG1 ILE A 26 0.134 2.549 6.944 1.00 22.43 C ATOM 311 CG2 ILE A 26 2.384 1.624 6.367 1.00 4.51 C ATOM 312 CD1 ILE A 26 -1.273 2.606 6.343 1.00 64.44 C ATOM 0 H ILE A 26 -0.189 4.199 4.711 1.00 53.50 H new ATOM 0 HA ILE A 26 2.048 4.408 6.458 1.00 54.32 H new ATOM 0 HB ILE A 26 0.862 2.145 4.933 1.00 64.30 H new ATOM 0 HG12 ILE A 26 0.224 1.654 7.560 1.00 22.43 H new ATOM 0 HG13 ILE A 26 0.277 3.405 7.603 1.00 22.43 H new ATOM 0 HG21 ILE A 26 1.979 0.640 6.601 1.00 4.51 H new ATOM 0 HG22 ILE A 26 3.142 1.529 5.589 1.00 4.51 H new ATOM 0 HG23 ILE A 26 2.835 2.053 7.262 1.00 4.51 H new ATOM 0 HD11 ILE A 26 -2.011 2.608 7.145 1.00 64.44 H new ATOM 0 HD12 ILE A 26 -1.379 3.514 5.750 1.00 64.44 H new ATOM 0 HD13 ILE A 26 -1.432 1.736 5.706 1.00 64.44 H new ATOM 323 N ILE A 27 4.117 3.831 5.025 1.00 12.33 N ATOM 324 CA ILE A 27 5.293 3.574 4.218 1.00 12.43 C ATOM 325 C ILE A 27 5.974 2.369 4.870 1.00 75.24 C ATOM 326 O ILE A 27 6.274 2.376 6.064 1.00 11.33 O ATOM 327 CB ILE A 27 6.137 4.858 4.078 1.00 2.25 C ATOM 328 CG1 ILE A 27 7.129 4.789 2.898 1.00 63.24 C ATOM 329 CG2 ILE A 27 6.885 5.247 5.346 1.00 11.14 C ATOM 330 CD1 ILE A 27 6.879 5.951 1.939 1.00 21.35 C ATOM 0 H ILE A 27 4.313 3.873 6.025 1.00 12.33 H new ATOM 0 HA ILE A 27 5.083 3.316 3.180 1.00 12.43 H new ATOM 0 HB ILE A 27 5.401 5.637 3.879 1.00 2.25 H new ATOM 0 HG12 ILE A 27 8.153 4.827 3.270 1.00 63.24 H new ATOM 0 HG13 ILE A 27 7.016 3.841 2.372 1.00 63.24 H new ATOM 0 HG21 ILE A 27 7.455 6.159 5.167 1.00 11.14 H new ATOM 0 HG22 ILE A 27 6.171 5.417 6.152 1.00 11.14 H new ATOM 0 HG23 ILE A 27 7.566 4.444 5.628 1.00 11.14 H new ATOM 0 HD11 ILE A 27 7.583 5.895 1.109 1.00 21.35 H new ATOM 0 HD12 ILE A 27 5.860 5.893 1.555 1.00 21.35 H new ATOM 0 HD13 ILE A 27 7.015 6.895 2.467 1.00 21.35 H new ATOM 341 N LEU A 28 6.153 1.295 4.112 1.00 72.00 N ATOM 342 CA LEU A 28 7.079 0.247 4.521 1.00 72.40 C ATOM 343 C LEU A 28 8.473 0.796 4.231 1.00 11.13 C ATOM 344 O LEU A 28 8.651 1.507 3.236 1.00 23.43 O ATOM 345 CB LEU A 28 6.856 -1.068 3.750 1.00 54.32 C ATOM 346 CG LEU A 28 5.626 -1.937 4.085 1.00 40.10 C ATOM 347 CD1 LEU A 28 5.241 -1.990 5.569 1.00 64.14 C ATOM 348 CD2 LEU A 28 4.399 -1.518 3.288 1.00 2.22 C ATOM 0 H LEU A 28 5.678 1.128 3.225 1.00 72.00 H new ATOM 0 HA LEU A 28 6.935 0.003 5.573 1.00 72.40 H new ATOM 0 HB2 LEU A 28 6.805 -0.822 2.689 1.00 54.32 H new ATOM 0 HB3 LEU A 28 7.743 -1.686 3.892 1.00 54.32 H new ATOM 0 HG LEU A 28 5.950 -2.939 3.803 1.00 40.10 H new ATOM 0 HD11 LEU A 28 4.365 -2.627 5.695 1.00 64.14 H new ATOM 0 HD12 LEU A 28 6.071 -2.397 6.146 1.00 64.14 H new ATOM 0 HD13 LEU A 28 5.012 -0.984 5.922 1.00 64.14 H new ATOM 0 HD21 LEU A 28 3.556 -2.156 3.555 1.00 2.22 H new ATOM 0 HD22 LEU A 28 4.155 -0.480 3.515 1.00 2.22 H new ATOM 0 HD23 LEU A 28 4.606 -1.617 2.222 1.00 2.22 H new ATOM 359 N ARG A 29 9.474 0.438 5.036 1.00 61.21 N ATOM 360 CA ARG A 29 10.869 0.829 4.804 1.00 42.23 C ATOM 361 C ARG A 29 11.761 -0.396 4.910 1.00 40.22 C ATOM 362 O ARG A 29 11.309 -1.441 5.374 1.00 20.45 O ATOM 363 CB ARG A 29 11.336 1.891 5.813 1.00 43.30 C ATOM 364 CG ARG A 29 10.404 3.097 5.948 1.00 3.31 C ATOM 365 CD ARG A 29 11.054 4.210 6.783 1.00 33.12 C ATOM 366 NE ARG A 29 12.044 5.013 6.035 1.00 24.42 N ATOM 367 CZ ARG A 29 12.966 5.801 6.606 1.00 73.03 C ATOM 368 NH1 ARG A 29 13.376 5.579 7.850 1.00 20.11 N ATOM 369 NH2 ARG A 29 13.477 6.835 5.944 1.00 35.25 N ATOM 0 H ARG A 29 9.342 -0.133 5.871 1.00 61.21 H new ATOM 0 HA ARG A 29 10.937 1.261 3.805 1.00 42.23 H new ATOM 0 HB2 ARG A 29 11.444 1.421 6.791 1.00 43.30 H new ATOM 0 HB3 ARG A 29 12.324 2.244 5.518 1.00 43.30 H new ATOM 0 HG2 ARG A 29 10.154 3.480 4.958 1.00 3.31 H new ATOM 0 HG3 ARG A 29 9.469 2.787 6.415 1.00 3.31 H new ATOM 0 HD2 ARG A 29 10.274 4.871 7.161 1.00 33.12 H new ATOM 0 HD3 ARG A 29 11.542 3.764 7.650 1.00 33.12 H new ATOM 0 HE ARG A 29 12.024 4.964 5.016 1.00 24.42 H new ATOM 0 HH11 ARG A 29 12.989 4.801 8.383 1.00 20.11 H new ATOM 0 HH12 ARG A 29 14.078 6.187 8.272 1.00 20.11 H new ATOM 0 HH21 ARG A 29 13.168 7.035 4.993 1.00 35.25 H new ATOM 0 HH22 ARG A 29 14.178 7.428 6.388 1.00 35.25 H new ATOM 380 N ASN A 30 13.024 -0.255 4.509 1.00 3.45 N ATOM 381 CA ASN A 30 14.072 -1.281 4.537 1.00 61.13 C ATOM 382 C ASN A 30 13.903 -2.318 3.421 1.00 73.13 C ATOM 383 O ASN A 30 14.563 -3.356 3.438 1.00 51.53 O ATOM 384 CB ASN A 30 14.173 -1.951 5.925 1.00 55.10 C ATOM 385 CG ASN A 30 15.472 -2.718 6.091 1.00 20.34 C ATOM 386 OD1 ASN A 30 16.545 -2.152 5.918 1.00 72.20 O ATOM 387 ND2 ASN A 30 15.412 -4.010 6.351 1.00 24.24 N ATOM 0 H ASN A 30 13.366 0.630 4.133 1.00 3.45 H new ATOM 0 HA ASN A 30 15.016 -0.770 4.349 1.00 61.13 H new ATOM 0 HB2 ASN A 30 14.099 -1.190 6.702 1.00 55.10 H new ATOM 0 HB3 ASN A 30 13.331 -2.629 6.063 1.00 55.10 H new ATOM 0 HD21 ASN A 30 16.270 -4.558 6.412 1.00 24.24 H new ATOM 0 HD22 ASN A 30 14.508 -4.460 6.492 1.00 24.24 H new ATOM 393 N LEU A 31 13.035 -2.054 2.439 1.00 34.41 N ATOM 394 CA LEU A 31 12.750 -2.992 1.358 1.00 2.53 C ATOM 395 C LEU A 31 13.948 -3.031 0.427 1.00 75.32 C ATOM 396 O LEU A 31 14.839 -2.179 0.476 1.00 61.24 O ATOM 397 CB LEU A 31 11.494 -2.620 0.530 1.00 44.11 C ATOM 398 CG LEU A 31 10.180 -2.628 1.318 1.00 53.10 C ATOM 399 CD1 LEU A 31 10.140 -1.476 2.290 1.00 35.25 C ATOM 400 CD2 LEU A 31 8.930 -2.523 0.445 1.00 4.55 C ATOM 0 H LEU A 31 12.511 -1.181 2.375 1.00 34.41 H new ATOM 0 HA LEU A 31 12.553 -3.960 1.818 1.00 2.53 H new ATOM 0 HB2 LEU A 31 11.639 -1.628 0.102 1.00 44.11 H new ATOM 0 HB3 LEU A 31 11.406 -3.317 -0.303 1.00 44.11 H new ATOM 0 HG LEU A 31 10.165 -3.593 1.825 1.00 53.10 H new ATOM 0 HD11 LEU A 31 9.200 -1.497 2.841 1.00 35.25 H new ATOM 0 HD12 LEU A 31 10.972 -1.561 2.989 1.00 35.25 H new ATOM 0 HD13 LEU A 31 10.219 -0.536 1.744 1.00 35.25 H new ATOM 0 HD21 LEU A 31 8.042 -2.535 1.078 1.00 4.55 H new ATOM 0 HD22 LEU A 31 8.959 -1.592 -0.121 1.00 4.55 H new ATOM 0 HD23 LEU A 31 8.896 -3.366 -0.245 1.00 4.55 H new ATOM 411 N ASN A 32 13.899 -3.978 -0.493 1.00 22.11 N ATOM 412 CA ASN A 32 14.957 -4.218 -1.474 1.00 41.42 C ATOM 413 C ASN A 32 14.471 -3.921 -2.891 1.00 60.43 C ATOM 414 O ASN A 32 13.259 -3.985 -3.138 1.00 44.20 O ATOM 415 CB ASN A 32 15.457 -5.675 -1.360 1.00 15.14 C ATOM 416 CG ASN A 32 16.887 -5.789 -0.837 1.00 42.40 C ATOM 417 OD1 ASN A 32 17.470 -4.845 -0.310 1.00 42.50 O ATOM 418 ND2 ASN A 32 17.475 -6.956 -0.975 1.00 20.22 N ATOM 0 H ASN A 32 13.110 -4.617 -0.586 1.00 22.11 H new ATOM 0 HA ASN A 32 15.786 -3.543 -1.262 1.00 41.42 H new ATOM 0 HB2 ASN A 32 14.791 -6.228 -0.698 1.00 15.14 H new ATOM 0 HB3 ASN A 32 15.398 -6.149 -2.340 1.00 15.14 H new ATOM 0 HD21 ASN A 32 18.430 -7.088 -0.642 1.00 20.22 H new ATOM 0 HD22 ASN A 32 16.976 -7.729 -1.415 1.00 20.22 H new ATOM 424 N PRO A 33 15.382 -3.709 -3.857 1.00 71.41 N ATOM 425 CA PRO A 33 15.028 -3.489 -5.256 1.00 1.34 C ATOM 426 C PRO A 33 14.189 -4.632 -5.841 1.00 4.15 C ATOM 427 O PRO A 33 13.304 -4.376 -6.658 1.00 31.24 O ATOM 428 CB PRO A 33 16.356 -3.303 -5.999 1.00 41.51 C ATOM 429 CG PRO A 33 17.420 -3.831 -5.046 1.00 52.31 C ATOM 430 CD PRO A 33 16.820 -3.585 -3.674 1.00 1.31 C ATOM 0 HA PRO A 33 14.391 -2.611 -5.361 1.00 1.34 H new ATOM 0 HB2 PRO A 33 16.362 -3.853 -6.940 1.00 41.51 H new ATOM 0 HB3 PRO A 33 16.529 -2.254 -6.241 1.00 41.51 H new ATOM 0 HG2 PRO A 33 17.619 -4.890 -5.213 1.00 52.31 H new ATOM 0 HG3 PRO A 33 18.367 -3.305 -5.170 1.00 52.31 H new ATOM 0 HD2 PRO A 33 17.188 -4.310 -2.948 1.00 1.31 H new ATOM 0 HD3 PRO A 33 17.085 -2.596 -3.300 1.00 1.31 H new ATOM 435 N HIS A 34 14.444 -5.870 -5.403 1.00 34.21 N ATOM 436 CA HIS A 34 13.814 -7.107 -5.861 1.00 2.13 C ATOM 437 C HIS A 34 12.616 -7.518 -4.977 1.00 55.43 C ATOM 438 O HIS A 34 12.296 -8.703 -4.865 1.00 34.24 O ATOM 439 CB HIS A 34 14.901 -8.200 -5.924 1.00 14.15 C ATOM 440 CG HIS A 34 15.791 -8.094 -7.143 1.00 12.21 C ATOM 441 ND1 HIS A 34 15.879 -9.022 -8.160 1.00 73.14 N ATOM 442 CD2 HIS A 34 16.590 -7.036 -7.485 1.00 40.44 C ATOM 443 CE1 HIS A 34 16.702 -8.526 -9.101 1.00 20.23 C ATOM 444 NE2 HIS A 34 17.128 -7.306 -8.742 1.00 44.33 N ATOM 0 H HIS A 34 15.138 -6.042 -4.676 1.00 34.21 H new ATOM 0 HA HIS A 34 13.391 -6.956 -6.854 1.00 2.13 H new ATOM 0 HB2 HIS A 34 15.518 -8.141 -5.027 1.00 14.15 H new ATOM 0 HB3 HIS A 34 14.422 -9.179 -5.917 1.00 14.15 H new ATOM 0 HD2 HIS A 34 16.770 -6.153 -6.889 1.00 40.44 H new ATOM 0 HE1 HIS A 34 16.979 -9.035 -10.012 1.00 20.23 H new ATOM 0 HE2 HIS A 34 17.732 -6.691 -9.287 1.00 44.33 H new ATOM 451 N SER A 35 11.981 -6.579 -4.266 1.00 44.24 N ATOM 452 CA SER A 35 10.865 -6.925 -3.397 1.00 1.34 C ATOM 453 C SER A 35 9.551 -7.011 -4.182 1.00 1.55 C ATOM 454 O SER A 35 9.188 -6.073 -4.895 1.00 72.12 O ATOM 455 CB SER A 35 10.701 -5.953 -2.246 1.00 1.22 C ATOM 456 OG SER A 35 11.955 -5.724 -1.649 1.00 33.01 O ATOM 0 H SER A 35 12.221 -5.588 -4.278 1.00 44.24 H new ATOM 0 HA SER A 35 11.102 -7.904 -2.981 1.00 1.34 H new ATOM 0 HB2 SER A 35 10.279 -5.014 -2.605 1.00 1.22 H new ATOM 0 HB3 SER A 35 10.004 -6.356 -1.511 1.00 1.22 H new ATOM 0 HG SER A 35 12.547 -5.280 -2.291 1.00 33.01 H new ATOM 461 N THR A 36 8.810 -8.094 -3.992 1.00 74.04 N ATOM 462 CA THR A 36 7.460 -8.282 -4.513 1.00 52.10 C ATOM 463 C THR A 36 6.452 -7.386 -3.794 1.00 22.21 C ATOM 464 O THR A 36 6.595 -7.117 -2.596 1.00 55.10 O ATOM 465 CB THR A 36 7.064 -9.763 -4.345 1.00 0.23 C ATOM 466 OG1 THR A 36 7.416 -10.256 -3.059 1.00 24.44 O ATOM 467 CG2 THR A 36 7.722 -10.637 -5.406 1.00 20.25 C ATOM 0 H THR A 36 9.142 -8.894 -3.453 1.00 74.04 H new ATOM 0 HA THR A 36 7.450 -8.006 -5.567 1.00 52.10 H new ATOM 0 HB THR A 36 5.981 -9.809 -4.460 1.00 0.23 H new ATOM 0 HG1 THR A 36 7.150 -11.196 -2.985 1.00 24.44 H new ATOM 0 HG21 THR A 36 7.422 -11.675 -5.260 1.00 20.25 H new ATOM 0 HG22 THR A 36 7.409 -10.305 -6.396 1.00 20.25 H new ATOM 0 HG23 THR A 36 8.806 -10.557 -5.322 1.00 20.25 H new ATOM 475 N MET A 37 5.361 -7.021 -4.479 1.00 13.45 N ATOM 476 CA MET A 37 4.131 -6.558 -3.841 1.00 62.04 C ATOM 477 C MET A 37 3.634 -7.578 -2.816 1.00 20.11 C ATOM 478 O MET A 37 3.036 -7.214 -1.804 1.00 0.35 O ATOM 479 CB MET A 37 3.070 -6.349 -4.929 1.00 21.01 C ATOM 480 CG MET A 37 1.673 -6.107 -4.345 1.00 20.35 C ATOM 481 SD MET A 37 0.446 -5.504 -5.539 1.00 11.23 S ATOM 482 CE MET A 37 1.117 -3.863 -5.927 1.00 53.42 C ATOM 0 H MET A 37 5.311 -7.040 -5.498 1.00 13.45 H new ATOM 0 HA MET A 37 4.324 -5.622 -3.316 1.00 62.04 H new ATOM 0 HB2 MET A 37 3.353 -5.499 -5.550 1.00 21.01 H new ATOM 0 HB3 MET A 37 3.043 -7.224 -5.579 1.00 21.01 H new ATOM 0 HG2 MET A 37 1.310 -7.038 -3.910 1.00 20.35 H new ATOM 0 HG3 MET A 37 1.754 -5.386 -3.532 1.00 20.35 H new ATOM 0 HE1 MET A 37 0.321 -3.227 -6.316 1.00 53.42 H new ATOM 0 HE2 MET A 37 1.530 -3.416 -5.023 1.00 53.42 H new ATOM 0 HE3 MET A 37 1.903 -3.959 -6.676 1.00 53.42 H new ATOM 490 N ASP A 38 3.875 -8.862 -3.081 1.00 14.21 N ATOM 491 CA ASP A 38 3.332 -9.955 -2.293 1.00 2.01 C ATOM 492 C ASP A 38 3.804 -9.898 -0.847 1.00 44.43 C ATOM 493 O ASP A 38 3.131 -10.442 0.020 1.00 72.44 O ATOM 494 CB ASP A 38 3.793 -11.314 -2.840 1.00 60.11 C ATOM 495 CG ASP A 38 3.288 -11.589 -4.241 1.00 41.40 C ATOM 496 OD1 ASP A 38 3.878 -11.043 -5.207 1.00 31.12 O ATOM 497 OD2 ASP A 38 2.272 -12.294 -4.383 1.00 63.50 O ATOM 0 H ASP A 38 4.460 -9.170 -3.858 1.00 14.21 H new ATOM 0 HA ASP A 38 2.249 -9.850 -2.350 1.00 2.01 H new ATOM 0 HB2 ASP A 38 4.882 -11.350 -2.839 1.00 60.11 H new ATOM 0 HB3 ASP A 38 3.448 -12.104 -2.173 1.00 60.11 H new ATOM 501 N SER A 39 4.949 -9.264 -0.570 1.00 3.45 N ATOM 502 CA SER A 39 5.468 -9.149 0.787 1.00 13.25 C ATOM 503 C SER A 39 4.542 -8.354 1.706 1.00 55.12 C ATOM 504 O SER A 39 4.480 -8.625 2.904 1.00 23.13 O ATOM 505 CB SER A 39 6.884 -8.567 0.751 1.00 43.14 C ATOM 506 OG SER A 39 6.950 -7.321 0.078 1.00 32.42 O ATOM 0 H SER A 39 5.534 -8.821 -1.278 1.00 3.45 H new ATOM 0 HA SER A 39 5.514 -10.150 1.217 1.00 13.25 H new ATOM 0 HB2 SER A 39 7.247 -8.443 1.771 1.00 43.14 H new ATOM 0 HB3 SER A 39 7.551 -9.276 0.260 1.00 43.14 H new ATOM 0 HG SER A 39 6.877 -7.467 -0.888 1.00 32.42 H new ATOM 511 N ILE A 40 3.804 -7.401 1.138 1.00 22.32 N ATOM 512 CA ILE A 40 2.774 -6.655 1.826 1.00 0.15 C ATOM 513 C ILE A 40 1.571 -7.596 1.955 1.00 53.34 C ATOM 514 O ILE A 40 1.190 -8.008 3.050 1.00 0.01 O ATOM 515 CB ILE A 40 2.463 -5.352 1.044 1.00 51.14 C ATOM 516 CG1 ILE A 40 3.703 -4.437 0.845 1.00 20.31 C ATOM 517 CG2 ILE A 40 1.376 -4.558 1.780 1.00 73.02 C ATOM 518 CD1 ILE A 40 4.496 -4.686 -0.453 1.00 53.51 C ATOM 0 H ILE A 40 3.916 -7.126 0.162 1.00 22.32 H new ATOM 0 HA ILE A 40 3.078 -6.333 2.822 1.00 0.15 H new ATOM 0 HB ILE A 40 2.127 -5.660 0.054 1.00 51.14 H new ATOM 0 HG12 ILE A 40 3.375 -3.398 0.858 1.00 20.31 H new ATOM 0 HG13 ILE A 40 4.374 -4.570 1.694 1.00 20.31 H new ATOM 0 HG21 ILE A 40 1.158 -3.643 1.230 1.00 73.02 H new ATOM 0 HG22 ILE A 40 0.471 -5.161 1.853 1.00 73.02 H new ATOM 0 HG23 ILE A 40 1.725 -4.305 2.781 1.00 73.02 H new ATOM 0 HD11 ILE A 40 5.341 -3.999 -0.500 1.00 53.51 H new ATOM 0 HD12 ILE A 40 4.862 -5.713 -0.465 1.00 53.51 H new ATOM 0 HD13 ILE A 40 3.847 -4.522 -1.313 1.00 53.51 H new ATOM 529 N LEU A 41 0.969 -7.945 0.817 1.00 32.44 N ATOM 530 CA LEU A 41 -0.329 -8.611 0.767 1.00 2.03 C ATOM 531 C LEU A 41 -0.304 -9.939 1.527 1.00 4.21 C ATOM 532 O LEU A 41 -1.190 -10.211 2.328 1.00 13.25 O ATOM 533 CB LEU A 41 -0.764 -8.794 -0.696 1.00 35.24 C ATOM 534 CG LEU A 41 -1.056 -7.463 -1.423 1.00 34.05 C ATOM 535 CD1 LEU A 41 -1.452 -7.757 -2.868 1.00 32.23 C ATOM 536 CD2 LEU A 41 -2.170 -6.627 -0.774 1.00 62.24 C ATOM 0 H LEU A 41 1.374 -7.771 -0.103 1.00 32.44 H new ATOM 0 HA LEU A 41 -1.067 -7.982 1.266 1.00 2.03 H new ATOM 0 HB2 LEU A 41 0.018 -9.329 -1.235 1.00 35.24 H new ATOM 0 HB3 LEU A 41 -1.657 -9.419 -0.726 1.00 35.24 H new ATOM 0 HG LEU A 41 -0.140 -6.875 -1.362 1.00 34.05 H new ATOM 0 HD11 LEU A 41 -1.659 -6.821 -3.386 1.00 32.23 H new ATOM 0 HD12 LEU A 41 -0.636 -8.277 -3.370 1.00 32.23 H new ATOM 0 HD13 LEU A 41 -2.344 -8.384 -2.881 1.00 32.23 H new ATOM 0 HD21 LEU A 41 -2.314 -5.709 -1.343 1.00 62.24 H new ATOM 0 HD22 LEU A 41 -3.098 -7.199 -0.767 1.00 62.24 H new ATOM 0 HD23 LEU A 41 -1.889 -6.379 0.250 1.00 62.24 H new ATOM 547 N GLY A 42 0.739 -10.745 1.340 1.00 71.22 N ATOM 548 CA GLY A 42 0.885 -12.054 1.953 1.00 40.23 C ATOM 549 C GLY A 42 1.060 -12.011 3.468 1.00 24.31 C ATOM 550 O GLY A 42 0.896 -13.057 4.102 1.00 1.21 O ATOM 0 H GLY A 42 1.525 -10.494 0.740 1.00 71.22 H new ATOM 0 HA2 GLY A 42 0.008 -12.656 1.715 1.00 40.23 H new ATOM 0 HA3 GLY A 42 1.745 -12.557 1.512 1.00 40.23 H new ATOM 554 N ALA A 43 1.385 -10.856 4.055 1.00 63.30 N ATOM 555 CA ALA A 43 1.426 -10.682 5.498 1.00 31.32 C ATOM 556 C ALA A 43 0.113 -10.103 6.013 1.00 41.43 C ATOM 557 O ALA A 43 -0.379 -10.575 7.037 1.00 40.34 O ATOM 558 CB ALA A 43 2.618 -9.815 5.897 1.00 61.34 C ATOM 0 H ALA A 43 1.628 -10.014 3.533 1.00 63.30 H new ATOM 0 HA ALA A 43 1.554 -11.660 5.962 1.00 31.32 H new ATOM 0 HB1 ALA A 43 2.634 -9.695 6.980 1.00 61.34 H new ATOM 0 HB2 ALA A 43 3.541 -10.294 5.571 1.00 61.34 H new ATOM 0 HB3 ALA A 43 2.531 -8.837 5.424 1.00 61.34 H new ATOM 564 N LEU A 44 -0.435 -9.081 5.348 1.00 40.22 N ATOM 565 CA LEU A 44 -1.489 -8.258 5.942 1.00 0.43 C ATOM 566 C LEU A 44 -2.889 -8.622 5.467 1.00 71.33 C ATOM 567 O LEU A 44 -3.845 -8.144 6.064 1.00 34.43 O ATOM 568 CB LEU A 44 -1.217 -6.759 5.709 1.00 33.12 C ATOM 569 CG LEU A 44 -0.017 -6.134 6.453 1.00 44.33 C ATOM 570 CD1 LEU A 44 0.328 -6.821 7.783 1.00 53.41 C ATOM 571 CD2 LEU A 44 1.243 -6.059 5.590 1.00 32.22 C ATOM 0 H LEU A 44 -0.167 -8.806 4.403 1.00 40.22 H new ATOM 0 HA LEU A 44 -1.461 -8.468 7.011 1.00 0.43 H new ATOM 0 HB2 LEU A 44 -1.069 -6.605 4.640 1.00 33.12 H new ATOM 0 HB3 LEU A 44 -2.113 -6.206 5.989 1.00 33.12 H new ATOM 0 HG LEU A 44 -0.358 -5.124 6.680 1.00 44.33 H new ATOM 0 HD11 LEU A 44 1.182 -6.321 8.240 1.00 53.41 H new ATOM 0 HD12 LEU A 44 -0.529 -6.764 8.455 1.00 53.41 H new ATOM 0 HD13 LEU A 44 0.576 -7.866 7.599 1.00 53.41 H new ATOM 0 HD21 LEU A 44 2.053 -5.611 6.166 1.00 32.22 H new ATOM 0 HD22 LEU A 44 1.531 -7.063 5.279 1.00 32.22 H new ATOM 0 HD23 LEU A 44 1.045 -5.449 4.709 1.00 32.22 H new ATOM 582 N ALA A 45 -3.036 -9.464 4.442 1.00 44.31 N ATOM 583 CA ALA A 45 -4.314 -9.818 3.832 1.00 13.23 C ATOM 584 C ALA A 45 -5.465 -10.084 4.825 1.00 14.34 C ATOM 585 O ALA A 45 -6.493 -9.416 4.696 1.00 63.33 O ATOM 586 CB ALA A 45 -4.114 -10.980 2.857 1.00 3.23 C ATOM 0 H ALA A 45 -2.243 -9.931 4.002 1.00 44.31 H new ATOM 0 HA ALA A 45 -4.648 -8.934 3.288 1.00 13.23 H new ATOM 0 HB1 ALA A 45 -5.069 -11.242 2.403 1.00 3.23 H new ATOM 0 HB2 ALA A 45 -3.411 -10.685 2.078 1.00 3.23 H new ATOM 0 HB3 ALA A 45 -3.719 -11.842 3.394 1.00 3.23 H new ATOM 592 N PRO A 46 -5.362 -11.012 5.798 1.00 74.40 N ATOM 593 CA PRO A 46 -6.462 -11.294 6.724 1.00 14.15 C ATOM 594 C PRO A 46 -6.668 -10.206 7.786 1.00 4.03 C ATOM 595 O PRO A 46 -7.635 -10.252 8.548 1.00 75.30 O ATOM 596 CB PRO A 46 -6.094 -12.630 7.378 1.00 40.01 C ATOM 597 CG PRO A 46 -4.568 -12.578 7.389 1.00 63.24 C ATOM 598 CD PRO A 46 -4.248 -11.914 6.056 1.00 60.40 C ATOM 0 HA PRO A 46 -7.409 -11.327 6.186 1.00 14.15 H new ATOM 0 HB2 PRO A 46 -6.505 -12.717 8.384 1.00 40.01 H new ATOM 0 HB3 PRO A 46 -6.468 -13.479 6.806 1.00 40.01 H new ATOM 0 HG2 PRO A 46 -4.188 -12.000 8.231 1.00 63.24 H new ATOM 0 HG3 PRO A 46 -4.129 -13.573 7.462 1.00 63.24 H new ATOM 0 HD2 PRO A 46 -3.305 -11.370 6.104 1.00 60.40 H new ATOM 0 HD3 PRO A 46 -4.149 -12.654 5.262 1.00 60.40 H new ATOM 603 N TYR A 47 -5.761 -9.238 7.863 1.00 55.12 N ATOM 604 CA TYR A 47 -5.742 -8.180 8.861 1.00 33.21 C ATOM 605 C TYR A 47 -5.998 -6.828 8.205 1.00 3.32 C ATOM 606 O TYR A 47 -5.769 -5.808 8.860 1.00 41.21 O ATOM 607 CB TYR A 47 -4.380 -8.188 9.577 1.00 61.42 C ATOM 608 CG TYR A 47 -3.918 -9.555 10.051 1.00 73.54 C ATOM 609 CD1 TYR A 47 -4.835 -10.444 10.643 1.00 43.20 C ATOM 610 CD2 TYR A 47 -2.587 -9.963 9.835 1.00 33.21 C ATOM 611 CE1 TYR A 47 -4.435 -11.741 11.002 1.00 0.41 C ATOM 612 CE2 TYR A 47 -2.175 -11.256 10.203 1.00 14.34 C ATOM 613 CZ TYR A 47 -3.104 -12.154 10.774 1.00 41.34 C ATOM 614 OH TYR A 47 -2.732 -13.435 11.029 1.00 75.32 O ATOM 0 H TYR A 47 -4.987 -9.168 7.202 1.00 55.12 H new ATOM 0 HA TYR A 47 -6.532 -8.353 9.592 1.00 33.21 H new ATOM 0 HB2 TYR A 47 -3.628 -7.780 8.902 1.00 61.42 H new ATOM 0 HB3 TYR A 47 -4.433 -7.520 10.436 1.00 61.42 H new ATOM 0 HD1 TYR A 47 -5.852 -10.127 10.822 1.00 43.20 H new ATOM 0 HD2 TYR A 47 -1.881 -9.281 9.385 1.00 33.21 H new ATOM 0 HE1 TYR A 47 -5.143 -12.421 11.451 1.00 0.41 H new ATOM 0 HE2 TYR A 47 -1.151 -11.562 10.049 1.00 14.34 H new ATOM 0 HH TYR A 47 -1.782 -13.549 10.816 1.00 75.32 H new ATOM 623 N ALA A 48 -6.361 -6.811 6.918 1.00 64.12 N ATOM 624 CA ALA A 48 -6.542 -5.602 6.139 1.00 42.21 C ATOM 625 C ALA A 48 -7.437 -5.852 4.926 1.00 72.22 C ATOM 626 O ALA A 48 -7.034 -6.491 3.948 1.00 22.14 O ATOM 627 CB ALA A 48 -5.171 -5.063 5.709 1.00 34.55 C ATOM 0 H ALA A 48 -6.539 -7.663 6.385 1.00 64.12 H new ATOM 0 HA ALA A 48 -7.041 -4.856 6.758 1.00 42.21 H new ATOM 0 HB1 ALA A 48 -5.305 -4.154 5.123 1.00 34.55 H new ATOM 0 HB2 ALA A 48 -4.574 -4.840 6.593 1.00 34.55 H new ATOM 0 HB3 ALA A 48 -4.659 -5.812 5.105 1.00 34.55 H new ATOM 633 N VAL A 49 -8.635 -5.277 4.970 1.00 20.52 N ATOM 634 CA VAL A 49 -9.604 -5.214 3.886 1.00 20.43 C ATOM 635 C VAL A 49 -9.130 -4.283 2.764 1.00 71.50 C ATOM 636 O VAL A 49 -9.661 -3.202 2.497 1.00 62.44 O ATOM 637 CB VAL A 49 -10.997 -4.929 4.465 1.00 60.30 C ATOM 638 CG1 VAL A 49 -11.107 -3.575 5.174 1.00 2.21 C ATOM 639 CG2 VAL A 49 -12.047 -5.058 3.354 1.00 60.10 C ATOM 0 H VAL A 49 -8.973 -4.816 5.815 1.00 20.52 H new ATOM 0 HA VAL A 49 -9.691 -6.178 3.384 1.00 20.43 H new ATOM 0 HB VAL A 49 -11.180 -5.674 5.240 1.00 60.30 H new ATOM 0 HG11 VAL A 49 -12.120 -3.446 5.556 1.00 2.21 H new ATOM 0 HG12 VAL A 49 -10.399 -3.539 6.002 1.00 2.21 H new ATOM 0 HG13 VAL A 49 -10.880 -2.775 4.469 1.00 2.21 H new ATOM 0 HG21 VAL A 49 -13.037 -4.856 3.764 1.00 60.10 H new ATOM 0 HG22 VAL A 49 -11.829 -4.341 2.562 1.00 60.10 H new ATOM 0 HG23 VAL A 49 -12.023 -6.068 2.946 1.00 60.10 H new ATOM 649 N LEU A 50 -8.093 -4.715 2.070 1.00 73.23 N ATOM 650 CA LEU A 50 -7.448 -4.018 0.973 1.00 33.43 C ATOM 651 C LEU A 50 -7.016 -5.025 -0.077 1.00 75.21 C ATOM 652 O LEU A 50 -7.190 -6.233 0.090 1.00 42.44 O ATOM 653 CB LEU A 50 -6.313 -3.103 1.467 1.00 4.33 C ATOM 654 CG LEU A 50 -5.218 -3.742 2.335 1.00 44.12 C ATOM 655 CD1 LEU A 50 -4.291 -4.693 1.565 1.00 51.32 C ATOM 656 CD2 LEU A 50 -4.405 -2.603 2.959 1.00 43.53 C ATOM 0 H LEU A 50 -7.653 -5.614 2.269 1.00 73.23 H new ATOM 0 HA LEU A 50 -8.159 -3.341 0.499 1.00 33.43 H new ATOM 0 HB2 LEU A 50 -5.835 -2.658 0.594 1.00 4.33 H new ATOM 0 HB3 LEU A 50 -6.761 -2.288 2.035 1.00 4.33 H new ATOM 0 HG LEU A 50 -5.702 -4.361 3.091 1.00 44.12 H new ATOM 0 HD11 LEU A 50 -3.545 -5.104 2.245 1.00 51.32 H new ATOM 0 HD12 LEU A 50 -4.878 -5.505 1.136 1.00 51.32 H new ATOM 0 HD13 LEU A 50 -3.791 -4.146 0.766 1.00 51.32 H new ATOM 0 HD21 LEU A 50 -3.615 -3.020 3.584 1.00 43.53 H new ATOM 0 HD22 LEU A 50 -3.961 -1.998 2.169 1.00 43.53 H new ATOM 0 HD23 LEU A 50 -5.060 -1.980 3.568 1.00 43.53 H new ATOM 667 N SER A 51 -6.481 -4.504 -1.174 1.00 63.33 N ATOM 668 CA SER A 51 -5.992 -5.274 -2.297 1.00 43.11 C ATOM 669 C SER A 51 -4.864 -4.474 -2.951 1.00 31.44 C ATOM 670 O SER A 51 -4.450 -3.426 -2.442 1.00 42.11 O ATOM 671 CB SER A 51 -7.163 -5.555 -3.252 1.00 0.24 C ATOM 672 OG SER A 51 -6.825 -6.576 -4.166 1.00 0.30 O ATOM 0 H SER A 51 -6.375 -3.498 -1.305 1.00 63.33 H new ATOM 0 HA SER A 51 -5.590 -6.241 -1.995 1.00 43.11 H new ATOM 0 HB2 SER A 51 -8.043 -5.848 -2.680 1.00 0.24 H new ATOM 0 HB3 SER A 51 -7.423 -4.646 -3.794 1.00 0.24 H new ATOM 0 HG SER A 51 -7.583 -6.743 -4.765 1.00 0.30 H new ATOM 677 N SER A 52 -4.398 -4.946 -4.105 1.00 33.31 N ATOM 678 CA SER A 52 -3.349 -4.347 -4.919 1.00 54.51 C ATOM 679 C SER A 52 -3.666 -2.920 -5.406 1.00 44.52 C ATOM 680 O SER A 52 -2.806 -2.287 -6.014 1.00 73.33 O ATOM 681 CB SER A 52 -3.074 -5.298 -6.091 1.00 71.05 C ATOM 682 OG SER A 52 -4.260 -5.539 -6.841 1.00 11.33 O ATOM 0 H SER A 52 -4.764 -5.804 -4.518 1.00 33.31 H new ATOM 0 HA SER A 52 -2.461 -4.222 -4.299 1.00 54.51 H new ATOM 0 HB2 SER A 52 -2.310 -4.870 -6.740 1.00 71.05 H new ATOM 0 HB3 SER A 52 -2.680 -6.242 -5.714 1.00 71.05 H new ATOM 0 HG SER A 52 -4.060 -6.146 -7.584 1.00 11.33 H new ATOM 687 N SER A 53 -4.876 -2.407 -5.164 1.00 60.41 N ATOM 688 CA SER A 53 -5.219 -1.000 -5.308 1.00 52.51 C ATOM 689 C SER A 53 -4.373 -0.141 -4.365 1.00 53.31 C ATOM 690 O SER A 53 -3.736 0.816 -4.805 1.00 24.41 O ATOM 691 CB SER A 53 -6.703 -0.800 -4.982 1.00 33.03 C ATOM 692 OG SER A 53 -7.527 -1.655 -5.756 1.00 41.12 O ATOM 0 H SER A 53 -5.661 -2.980 -4.854 1.00 60.41 H new ATOM 0 HA SER A 53 -5.020 -0.695 -6.335 1.00 52.51 H new ATOM 0 HB2 SER A 53 -6.872 -0.992 -3.922 1.00 33.03 H new ATOM 0 HB3 SER A 53 -6.980 0.238 -5.166 1.00 33.03 H new ATOM 0 HG SER A 53 -8.467 -1.503 -5.522 1.00 41.12 H new ATOM 697 N ASN A 54 -4.400 -0.474 -3.071 1.00 2.53 N ATOM 698 CA ASN A 54 -3.901 0.376 -1.994 1.00 15.24 C ATOM 699 C ASN A 54 -2.385 0.476 -2.052 1.00 31.01 C ATOM 700 O ASN A 54 -1.828 1.558 -1.869 1.00 75.22 O ATOM 701 CB ASN A 54 -4.308 -0.198 -0.626 1.00 51.10 C ATOM 702 CG ASN A 54 -5.797 -0.062 -0.346 1.00 62.33 C ATOM 703 OD1 ASN A 54 -6.617 -0.736 -0.963 1.00 13.21 O ATOM 704 ND2 ASN A 54 -6.182 0.778 0.599 1.00 33.45 N ATOM 0 H ASN A 54 -4.778 -1.361 -2.740 1.00 2.53 H new ATOM 0 HA ASN A 54 -4.336 1.367 -2.120 1.00 15.24 H new ATOM 0 HB2 ASN A 54 -4.030 -1.251 -0.582 1.00 51.10 H new ATOM 0 HB3 ASN A 54 -3.748 0.312 0.158 1.00 51.10 H new ATOM 0 HD21 ASN A 54 -7.172 0.873 0.824 1.00 33.45 H new ATOM 0 HD22 ASN A 54 -5.489 1.331 1.103 1.00 33.45 H new ATOM 710 N VAL A 55 -1.736 -0.674 -2.236 1.00 63.24 N ATOM 711 CA VAL A 55 -0.294 -0.835 -2.225 1.00 32.31 C ATOM 712 C VAL A 55 0.273 -0.383 -3.573 1.00 2.14 C ATOM 713 O VAL A 55 -0.177 -0.827 -4.630 1.00 11.14 O ATOM 714 CB VAL A 55 0.048 -2.291 -1.839 1.00 3.24 C ATOM 715 CG1 VAL A 55 -0.657 -3.365 -2.672 1.00 21.44 C ATOM 716 CG2 VAL A 55 1.562 -2.538 -1.806 1.00 34.05 C ATOM 0 H VAL A 55 -2.228 -1.552 -2.403 1.00 63.24 H new ATOM 0 HA VAL A 55 0.179 -0.203 -1.473 1.00 32.31 H new ATOM 0 HB VAL A 55 -0.350 -2.396 -0.830 1.00 3.24 H new ATOM 0 HG11 VAL A 55 -0.352 -4.353 -2.325 1.00 21.44 H new ATOM 0 HG12 VAL A 55 -1.736 -3.259 -2.563 1.00 21.44 H new ATOM 0 HG13 VAL A 55 -0.385 -3.249 -3.721 1.00 21.44 H new ATOM 0 HG21 VAL A 55 1.756 -3.575 -1.530 1.00 34.05 H new ATOM 0 HG22 VAL A 55 1.985 -2.340 -2.791 1.00 34.05 H new ATOM 0 HG23 VAL A 55 2.023 -1.875 -1.073 1.00 34.05 H new ATOM 726 N ARG A 56 1.288 0.481 -3.546 1.00 61.43 N ATOM 727 CA ARG A 56 1.896 1.054 -4.740 1.00 41.41 C ATOM 728 C ARG A 56 3.410 0.934 -4.622 1.00 74.44 C ATOM 729 O ARG A 56 4.032 1.548 -3.747 1.00 32.34 O ATOM 730 CB ARG A 56 1.415 2.504 -4.908 1.00 14.23 C ATOM 731 CG ARG A 56 1.566 2.999 -6.348 1.00 1.41 C ATOM 732 CD ARG A 56 0.468 2.448 -7.269 1.00 44.13 C ATOM 733 NE ARG A 56 -0.481 3.490 -7.684 1.00 53.35 N ATOM 734 CZ ARG A 56 -1.187 3.504 -8.821 1.00 24.44 C ATOM 735 NH1 ARG A 56 -1.182 2.463 -9.650 1.00 12.23 N ATOM 736 NH2 ARG A 56 -1.899 4.578 -9.138 1.00 60.24 N ATOM 0 H ARG A 56 1.715 0.805 -2.679 1.00 61.43 H new ATOM 0 HA ARG A 56 1.595 0.516 -5.639 1.00 41.41 H new ATOM 0 HB2 ARG A 56 0.369 2.575 -4.609 1.00 14.23 H new ATOM 0 HB3 ARG A 56 1.982 3.153 -4.241 1.00 14.23 H new ATOM 0 HG2 ARG A 56 1.536 4.089 -6.361 1.00 1.41 H new ATOM 0 HG3 ARG A 56 2.542 2.703 -6.732 1.00 1.41 H new ATOM 0 HD2 ARG A 56 0.926 2.003 -8.152 1.00 44.13 H new ATOM 0 HD3 ARG A 56 -0.071 1.652 -6.754 1.00 44.13 H new ATOM 0 HE ARG A 56 -0.614 4.275 -7.047 1.00 53.35 H new ATOM 0 HH11 ARG A 56 -0.633 1.634 -9.424 1.00 12.23 H new ATOM 0 HH12 ARG A 56 -1.727 2.494 -10.511 1.00 12.23 H new ATOM 0 HH21 ARG A 56 -1.906 5.387 -8.517 1.00 60.24 H new ATOM 0 HH22 ARG A 56 -2.439 4.595 -10.003 1.00 60.24 H new ATOM 747 N VAL A 57 4.011 0.101 -5.468 1.00 53.24 N ATOM 748 CA VAL A 57 5.425 -0.236 -5.385 1.00 12.54 C ATOM 749 C VAL A 57 6.200 0.711 -6.307 1.00 72.34 C ATOM 750 O VAL A 57 6.356 0.471 -7.509 1.00 32.02 O ATOM 751 CB VAL A 57 5.624 -1.734 -5.681 1.00 42.40 C ATOM 752 CG1 VAL A 57 7.093 -2.132 -5.505 1.00 14.12 C ATOM 753 CG2 VAL A 57 4.775 -2.613 -4.741 1.00 54.31 C ATOM 0 H VAL A 57 3.524 -0.362 -6.236 1.00 53.24 H new ATOM 0 HA VAL A 57 5.822 -0.090 -4.380 1.00 12.54 H new ATOM 0 HB VAL A 57 5.310 -1.895 -6.712 1.00 42.40 H new ATOM 0 HG11 VAL A 57 7.210 -3.194 -5.719 1.00 14.12 H new ATOM 0 HG12 VAL A 57 7.711 -1.553 -6.191 1.00 14.12 H new ATOM 0 HG13 VAL A 57 7.404 -1.932 -4.480 1.00 14.12 H new ATOM 0 HG21 VAL A 57 4.940 -3.664 -4.978 1.00 54.31 H new ATOM 0 HG22 VAL A 57 5.064 -2.424 -3.707 1.00 54.31 H new ATOM 0 HG23 VAL A 57 3.720 -2.373 -4.872 1.00 54.31 H new ATOM 763 N ILE A 58 6.641 1.833 -5.738 1.00 3.53 N ATOM 764 CA ILE A 58 7.405 2.855 -6.444 1.00 64.14 C ATOM 765 C ILE A 58 8.804 2.328 -6.781 1.00 54.33 C ATOM 766 O ILE A 58 9.471 1.673 -5.969 1.00 32.23 O ATOM 767 CB ILE A 58 7.439 4.160 -5.614 1.00 42.12 C ATOM 768 CG1 ILE A 58 6.033 4.619 -5.157 1.00 20.22 C ATOM 769 CG2 ILE A 58 8.134 5.314 -6.363 1.00 23.04 C ATOM 770 CD1 ILE A 58 4.976 4.699 -6.271 1.00 73.35 C ATOM 0 H ILE A 58 6.473 2.058 -4.757 1.00 3.53 H new ATOM 0 HA ILE A 58 6.919 3.093 -7.390 1.00 64.14 H new ATOM 0 HB ILE A 58 8.023 3.914 -4.727 1.00 42.12 H new ATOM 0 HG12 ILE A 58 5.676 3.933 -4.388 1.00 20.22 H new ATOM 0 HG13 ILE A 58 6.122 5.601 -4.692 1.00 20.22 H new ATOM 0 HG21 ILE A 58 8.132 6.207 -5.738 1.00 23.04 H new ATOM 0 HG22 ILE A 58 9.162 5.033 -6.591 1.00 23.04 H new ATOM 0 HG23 ILE A 58 7.600 5.519 -7.291 1.00 23.04 H new ATOM 0 HD11 ILE A 58 4.027 5.029 -5.849 1.00 73.35 H new ATOM 0 HD12 ILE A 58 5.302 5.409 -7.031 1.00 73.35 H new ATOM 0 HD13 ILE A 58 4.849 3.715 -6.723 1.00 73.35 H new ATOM 781 N LYS A 59 9.256 2.641 -7.995 1.00 15.41 N ATOM 782 CA LYS A 59 10.483 2.134 -8.591 1.00 11.53 C ATOM 783 C LYS A 59 11.344 3.286 -9.092 1.00 55.50 C ATOM 784 O LYS A 59 10.879 4.423 -9.217 1.00 61.11 O ATOM 785 CB LYS A 59 10.127 1.152 -9.719 1.00 15.54 C ATOM 786 CG LYS A 59 9.553 -0.165 -9.175 1.00 31.21 C ATOM 787 CD LYS A 59 9.265 -1.196 -10.275 1.00 1.31 C ATOM 788 CE LYS A 59 8.125 -0.793 -11.214 1.00 51.25 C ATOM 789 NZ LYS A 59 6.864 -0.493 -10.497 1.00 20.44 N ATOM 0 H LYS A 59 8.754 3.280 -8.611 1.00 15.41 H new ATOM 0 HA LYS A 59 11.067 1.599 -7.842 1.00 11.53 H new ATOM 0 HB2 LYS A 59 9.401 1.615 -10.387 1.00 15.54 H new ATOM 0 HB3 LYS A 59 11.017 0.942 -10.312 1.00 15.54 H new ATOM 0 HG2 LYS A 59 10.255 -0.593 -8.460 1.00 31.21 H new ATOM 0 HG3 LYS A 59 8.632 0.044 -8.631 1.00 31.21 H new ATOM 0 HD2 LYS A 59 10.170 -1.350 -10.862 1.00 1.31 H new ATOM 0 HD3 LYS A 59 9.020 -2.151 -9.810 1.00 1.31 H new ATOM 0 HE2 LYS A 59 8.427 0.083 -11.789 1.00 51.25 H new ATOM 0 HE3 LYS A 59 7.948 -1.597 -11.928 1.00 51.25 H new ATOM 0 HZ1 LYS A 59 6.093 -0.376 -11.185 1.00 20.44 H new ATOM 0 HZ2 LYS A 59 6.637 -1.276 -9.852 1.00 20.44 H new ATOM 0 HZ3 LYS A 59 6.976 0.384 -9.950 1.00 20.44 H new ATOM 799 N ASP A 60 12.616 3.010 -9.351 1.00 34.42 N ATOM 800 CA ASP A 60 13.544 3.962 -9.940 1.00 2.45 C ATOM 801 C ASP A 60 13.200 4.200 -11.421 1.00 53.23 C ATOM 802 O ASP A 60 12.319 3.546 -11.989 1.00 43.15 O ATOM 803 CB ASP A 60 14.973 3.445 -9.719 1.00 21.32 C ATOM 804 CG ASP A 60 16.024 4.377 -10.319 1.00 54.50 C ATOM 805 OD1 ASP A 60 15.972 5.609 -10.063 1.00 62.23 O ATOM 806 OD2 ASP A 60 16.837 3.901 -11.131 1.00 31.43 O ATOM 0 H ASP A 60 13.037 2.102 -9.154 1.00 34.42 H new ATOM 0 HA ASP A 60 13.464 4.937 -9.459 1.00 2.45 H new ATOM 0 HB2 ASP A 60 15.156 3.334 -8.650 1.00 21.32 H new ATOM 0 HB3 ASP A 60 15.072 2.455 -10.164 1.00 21.32 H new ATOM 810 N LYS A 61 13.853 5.181 -12.046 1.00 11.44 N ATOM 811 CA LYS A 61 13.693 5.549 -13.443 1.00 72.01 C ATOM 812 C LYS A 61 14.850 4.991 -14.268 1.00 21.24 C ATOM 813 O LYS A 61 14.627 4.465 -15.362 1.00 75.44 O ATOM 814 CB LYS A 61 13.597 7.081 -13.513 1.00 72.12 C ATOM 815 CG LYS A 61 13.616 7.671 -14.931 1.00 32.13 C ATOM 816 CD LYS A 61 12.473 7.124 -15.794 1.00 13.24 C ATOM 817 CE LYS A 61 12.425 7.809 -17.162 1.00 21.02 C ATOM 818 NZ LYS A 61 11.565 7.041 -18.082 1.00 74.31 N ATOM 0 H LYS A 61 14.538 5.764 -11.565 1.00 11.44 H new ATOM 0 HA LYS A 61 12.784 5.122 -13.866 1.00 72.01 H new ATOM 0 HB2 LYS A 61 12.678 7.395 -13.018 1.00 72.12 H new ATOM 0 HB3 LYS A 61 14.425 7.508 -12.948 1.00 72.12 H new ATOM 0 HG2 LYS A 61 13.540 8.757 -14.873 1.00 32.13 H new ATOM 0 HG3 LYS A 61 14.570 7.443 -15.406 1.00 32.13 H new ATOM 0 HD2 LYS A 61 12.599 6.050 -15.928 1.00 13.24 H new ATOM 0 HD3 LYS A 61 11.524 7.272 -15.279 1.00 13.24 H new ATOM 0 HE2 LYS A 61 12.043 8.824 -17.056 1.00 21.02 H new ATOM 0 HE3 LYS A 61 13.431 7.889 -17.573 1.00 21.02 H new ATOM 0 HZ1 LYS A 61 11.538 7.513 -19.008 1.00 74.31 H new ATOM 0 HZ2 LYS A 61 11.947 6.080 -18.194 1.00 74.31 H new ATOM 0 HZ3 LYS A 61 10.602 6.987 -17.693 1.00 74.31 H new ATOM 828 N GLN A 62 16.085 5.126 -13.782 1.00 3.34 N ATOM 829 CA GLN A 62 17.279 4.668 -14.493 1.00 54.21 C ATOM 830 C GLN A 62 17.269 3.146 -14.585 1.00 61.12 C ATOM 831 O GLN A 62 17.595 2.564 -15.615 1.00 20.44 O ATOM 832 CB GLN A 62 18.545 5.174 -13.798 1.00 51.12 C ATOM 833 CG GLN A 62 18.466 6.676 -13.507 1.00 40.41 C ATOM 834 CD GLN A 62 19.844 7.317 -13.453 1.00 40.22 C ATOM 835 OE1 GLN A 62 20.274 7.923 -14.436 1.00 24.23 O ATOM 836 NE2 GLN A 62 20.561 7.204 -12.355 1.00 75.24 N ATOM 0 H GLN A 62 16.286 5.558 -12.880 1.00 3.34 H new ATOM 0 HA GLN A 62 17.274 5.075 -15.504 1.00 54.21 H new ATOM 0 HB2 GLN A 62 18.691 4.629 -12.865 1.00 51.12 H new ATOM 0 HB3 GLN A 62 19.412 4.969 -14.426 1.00 51.12 H new ATOM 0 HG2 GLN A 62 17.869 7.164 -14.277 1.00 40.41 H new ATOM 0 HG3 GLN A 62 17.954 6.835 -12.558 1.00 40.41 H new ATOM 0 HE21 GLN A 62 20.187 6.698 -11.552 1.00 75.24 H new ATOM 0 HE22 GLN A 62 21.490 7.622 -12.307 1.00 75.24 H new ATOM 843 N THR A 63 16.811 2.511 -13.521 1.00 75.13 N ATOM 844 CA THR A 63 16.681 1.082 -13.351 1.00 73.14 C ATOM 845 C THR A 63 15.212 0.810 -13.093 1.00 53.23 C ATOM 846 O THR A 63 14.479 1.722 -12.709 1.00 35.31 O ATOM 847 CB THR A 63 17.600 0.657 -12.197 1.00 20.25 C ATOM 848 OG1 THR A 63 17.252 1.240 -10.956 1.00 51.40 O ATOM 849 CG2 THR A 63 19.024 1.104 -12.506 1.00 44.14 C ATOM 0 H THR A 63 16.498 3.022 -12.695 1.00 75.13 H new ATOM 0 HA THR A 63 16.985 0.504 -14.224 1.00 73.14 H new ATOM 0 HB THR A 63 17.501 -0.425 -12.112 1.00 20.25 H new ATOM 0 HG1 THR A 63 17.378 2.211 -11.004 1.00 51.40 H new ATOM 0 HG21 THR A 63 19.684 0.806 -11.691 1.00 44.14 H new ATOM 0 HG22 THR A 63 19.359 0.638 -13.433 1.00 44.14 H new ATOM 0 HG23 THR A 63 19.049 2.188 -12.615 1.00 44.14 H new ATOM 857 N GLN A 64 14.739 -0.410 -13.318 1.00 60.32 N ATOM 858 CA GLN A 64 13.320 -0.721 -13.183 1.00 61.33 C ATOM 859 C GLN A 64 13.112 -1.554 -11.925 1.00 54.53 C ATOM 860 O GLN A 64 12.486 -2.609 -11.944 1.00 74.42 O ATOM 861 CB GLN A 64 12.780 -1.314 -14.496 1.00 12.23 C ATOM 862 CG GLN A 64 12.950 -0.379 -15.716 1.00 44.43 C ATOM 863 CD GLN A 64 12.189 0.956 -15.645 1.00 22.02 C ATOM 864 OE1 GLN A 64 11.239 1.193 -16.388 1.00 71.44 O ATOM 865 NE2 GLN A 64 12.598 1.912 -14.823 1.00 11.43 N ATOM 0 H GLN A 64 15.318 -1.202 -13.595 1.00 60.32 H new ATOM 0 HA GLN A 64 12.716 0.174 -13.034 1.00 61.33 H new ATOM 0 HB2 GLN A 64 13.291 -2.255 -14.697 1.00 12.23 H new ATOM 0 HB3 GLN A 64 11.722 -1.546 -14.372 1.00 12.23 H new ATOM 0 HG2 GLN A 64 14.011 -0.165 -15.841 1.00 44.43 H new ATOM 0 HG3 GLN A 64 12.625 -0.914 -16.608 1.00 44.43 H new ATOM 0 HE21 GLN A 64 13.384 1.743 -14.195 1.00 11.43 H new ATOM 0 HE22 GLN A 64 12.127 2.817 -14.818 1.00 11.43 H new ATOM 872 N LEU A 65 13.674 -1.065 -10.819 1.00 22.32 N ATOM 873 CA LEU A 65 13.734 -1.749 -9.535 1.00 43.21 C ATOM 874 C LEU A 65 13.160 -0.843 -8.456 1.00 53.50 C ATOM 875 O LEU A 65 13.032 0.359 -8.680 1.00 32.41 O ATOM 876 CB LEU A 65 15.195 -2.031 -9.198 1.00 54.22 C ATOM 877 CG LEU A 65 15.956 -2.901 -10.210 1.00 24.24 C ATOM 878 CD1 LEU A 65 17.431 -2.802 -9.844 1.00 52.40 C ATOM 879 CD2 LEU A 65 15.488 -4.358 -10.195 1.00 64.41 C ATOM 0 H LEU A 65 14.116 -0.146 -10.796 1.00 22.32 H new ATOM 0 HA LEU A 65 13.165 -2.678 -9.586 1.00 43.21 H new ATOM 0 HB2 LEU A 65 15.717 -1.079 -9.101 1.00 54.22 H new ATOM 0 HB3 LEU A 65 15.237 -2.518 -8.224 1.00 54.22 H new ATOM 0 HG LEU A 65 15.770 -2.544 -11.223 1.00 24.24 H new ATOM 0 HD11 LEU A 65 18.019 -3.405 -10.536 1.00 52.40 H new ATOM 0 HD12 LEU A 65 17.752 -1.762 -9.906 1.00 52.40 H new ATOM 0 HD13 LEU A 65 17.579 -3.168 -8.828 1.00 52.40 H new ATOM 0 HD21 LEU A 65 16.057 -4.930 -10.928 1.00 64.41 H new ATOM 0 HD22 LEU A 65 15.646 -4.781 -9.203 1.00 64.41 H new ATOM 0 HD23 LEU A 65 14.428 -4.402 -10.444 1.00 64.41 H new ATOM 890 N ASN A 66 12.835 -1.389 -7.284 1.00 33.12 N ATOM 891 CA ASN A 66 12.145 -0.617 -6.245 1.00 54.44 C ATOM 892 C ASN A 66 13.053 0.452 -5.653 1.00 31.04 C ATOM 893 O ASN A 66 14.273 0.313 -5.676 1.00 23.02 O ATOM 894 CB ASN A 66 11.649 -1.491 -5.096 1.00 4.13 C ATOM 895 CG ASN A 66 10.710 -2.597 -5.532 1.00 31.04 C ATOM 896 OD1 ASN A 66 10.025 -2.491 -6.540 1.00 32.35 O ATOM 897 ND2 ASN A 66 10.678 -3.678 -4.782 1.00 74.21 N ATOM 0 H ASN A 66 13.036 -2.356 -7.029 1.00 33.12 H new ATOM 0 HA ASN A 66 11.290 -0.160 -6.744 1.00 54.44 H new ATOM 0 HB2 ASN A 66 12.508 -1.934 -4.591 1.00 4.13 H new ATOM 0 HB3 ASN A 66 11.140 -0.861 -4.366 1.00 4.13 H new ATOM 0 HD21 ASN A 66 10.070 -4.457 -5.036 1.00 74.21 H new ATOM 0 HD22 ASN A 66 11.261 -3.737 -3.947 1.00 74.21 H new ATOM 903 N ARG A 67 12.466 1.479 -5.029 1.00 34.04 N ATOM 904 CA ARG A 67 13.211 2.529 -4.322 1.00 63.34 C ATOM 905 C ARG A 67 13.404 2.244 -2.822 1.00 24.34 C ATOM 906 O ARG A 67 13.707 3.167 -2.065 1.00 4.44 O ATOM 907 CB ARG A 67 12.544 3.894 -4.563 1.00 55.23 C ATOM 908 CG ARG A 67 12.476 4.295 -6.046 1.00 42.22 C ATOM 909 CD ARG A 67 12.570 5.817 -6.287 1.00 73.44 C ATOM 910 NE ARG A 67 13.838 6.206 -6.940 1.00 61.42 N ATOM 911 CZ ARG A 67 15.075 6.012 -6.461 1.00 2.42 C ATOM 912 NH1 ARG A 67 15.274 5.823 -5.162 1.00 12.43 N ATOM 913 NH2 ARG A 67 16.117 5.971 -7.284 1.00 31.45 N ATOM 0 H ARG A 67 11.454 1.607 -5.000 1.00 34.04 H new ATOM 0 HA ARG A 67 14.218 2.545 -4.738 1.00 63.34 H new ATOM 0 HB2 ARG A 67 11.533 3.872 -4.155 1.00 55.23 H new ATOM 0 HB3 ARG A 67 13.093 4.659 -4.014 1.00 55.23 H new ATOM 0 HG2 ARG A 67 13.286 3.801 -6.583 1.00 42.22 H new ATOM 0 HG3 ARG A 67 11.541 3.927 -6.469 1.00 42.22 H new ATOM 0 HD2 ARG A 67 11.732 6.137 -6.907 1.00 73.44 H new ATOM 0 HD3 ARG A 67 12.480 6.339 -5.335 1.00 73.44 H new ATOM 0 HE ARG A 67 13.764 6.669 -7.846 1.00 61.42 H new ATOM 0 HH11 ARG A 67 14.482 5.825 -4.519 1.00 12.43 H new ATOM 0 HH12 ARG A 67 16.219 5.676 -4.807 1.00 12.43 H new ATOM 0 HH21 ARG A 67 15.979 6.088 -8.288 1.00 31.45 H new ATOM 0 HH22 ARG A 67 17.055 5.823 -6.912 1.00 31.45 H new ATOM 924 N GLY A 68 13.205 1.006 -2.354 1.00 53.51 N ATOM 925 CA GLY A 68 13.487 0.638 -0.967 1.00 13.33 C ATOM 926 C GLY A 68 12.349 0.982 -0.006 1.00 2.14 C ATOM 927 O GLY A 68 12.527 0.927 1.213 1.00 42.42 O ATOM 0 H GLY A 68 12.847 0.239 -2.923 1.00 53.51 H new ATOM 0 HA2 GLY A 68 13.685 -0.433 -0.916 1.00 13.33 H new ATOM 0 HA3 GLY A 68 14.395 1.146 -0.641 1.00 13.33 H new ATOM 931 N PHE A 69 11.171 1.317 -0.538 1.00 53.53 N ATOM 932 CA PHE A 69 9.942 1.560 0.203 1.00 21.22 C ATOM 933 C PHE A 69 8.760 1.054 -0.629 1.00 33.04 C ATOM 934 O PHE A 69 8.945 0.616 -1.772 1.00 3.44 O ATOM 935 CB PHE A 69 9.822 3.056 0.533 1.00 71.30 C ATOM 936 CG PHE A 69 9.391 3.951 -0.614 1.00 41.53 C ATOM 937 CD1 PHE A 69 10.339 4.490 -1.502 1.00 42.33 C ATOM 938 CD2 PHE A 69 8.036 4.294 -0.758 1.00 22.13 C ATOM 939 CE1 PHE A 69 9.929 5.383 -2.507 1.00 42.14 C ATOM 940 CE2 PHE A 69 7.628 5.187 -1.757 1.00 44.52 C ATOM 941 CZ PHE A 69 8.578 5.743 -2.628 1.00 12.55 C ATOM 0 H PHE A 69 11.048 1.430 -1.544 1.00 53.53 H new ATOM 0 HA PHE A 69 9.948 1.021 1.151 1.00 21.22 H new ATOM 0 HB2 PHE A 69 9.109 3.173 1.349 1.00 71.30 H new ATOM 0 HB3 PHE A 69 10.786 3.407 0.900 1.00 71.30 H new ATOM 0 HD1 PHE A 69 11.380 4.218 -1.412 1.00 42.33 H new ATOM 0 HD2 PHE A 69 7.302 3.865 -0.092 1.00 22.13 H new ATOM 0 HE1 PHE A 69 10.658 5.794 -3.190 1.00 42.14 H new ATOM 0 HE2 PHE A 69 6.585 5.447 -1.857 1.00 44.52 H new ATOM 0 HZ PHE A 69 8.270 6.445 -3.389 1.00 12.55 H new ATOM 950 N ALA A 70 7.548 1.106 -0.076 1.00 73.32 N ATOM 951 CA ALA A 70 6.314 1.118 -0.860 1.00 20.25 C ATOM 952 C ALA A 70 5.327 2.057 -0.179 1.00 41.43 C ATOM 953 O ALA A 70 5.426 2.287 1.030 1.00 41.24 O ATOM 954 CB ALA A 70 5.707 -0.283 -0.972 1.00 32.45 C ATOM 0 H ALA A 70 7.395 1.141 0.932 1.00 73.32 H new ATOM 0 HA ALA A 70 6.537 1.459 -1.871 1.00 20.25 H new ATOM 0 HB1 ALA A 70 4.791 -0.237 -1.561 1.00 32.45 H new ATOM 0 HB2 ALA A 70 6.418 -0.950 -1.459 1.00 32.45 H new ATOM 0 HB3 ALA A 70 5.479 -0.661 0.024 1.00 32.45 H new ATOM 960 N PHE A 71 4.372 2.578 -0.940 1.00 41.12 N ATOM 961 CA PHE A 71 3.252 3.360 -0.426 1.00 64.03 C ATOM 962 C PHE A 71 2.054 2.429 -0.207 1.00 13.34 C ATOM 963 O PHE A 71 1.927 1.431 -0.922 1.00 33.11 O ATOM 964 CB PHE A 71 2.843 4.412 -1.458 1.00 2.11 C ATOM 965 CG PHE A 71 3.704 5.649 -1.572 1.00 40.12 C ATOM 966 CD1 PHE A 71 4.143 6.307 -0.416 1.00 0.54 C ATOM 967 CD2 PHE A 71 4.000 6.201 -2.831 1.00 60.42 C ATOM 968 CE1 PHE A 71 4.933 7.457 -0.506 1.00 42.24 C ATOM 969 CE2 PHE A 71 4.780 7.368 -2.926 1.00 52.34 C ATOM 970 CZ PHE A 71 5.262 7.993 -1.763 1.00 11.52 C ATOM 0 H PHE A 71 4.353 2.467 -1.954 1.00 41.12 H new ATOM 0 HA PHE A 71 3.549 3.840 0.506 1.00 64.03 H new ATOM 0 HB2 PHE A 71 2.814 3.931 -2.436 1.00 2.11 H new ATOM 0 HB3 PHE A 71 1.826 4.730 -1.229 1.00 2.11 H new ATOM 0 HD1 PHE A 71 3.868 5.922 0.555 1.00 0.54 H new ATOM 0 HD2 PHE A 71 3.628 5.728 -3.728 1.00 60.42 H new ATOM 0 HE1 PHE A 71 5.292 7.935 0.393 1.00 42.24 H new ATOM 0 HE2 PHE A 71 5.009 7.785 -3.896 1.00 52.34 H new ATOM 0 HZ PHE A 71 5.879 8.876 -1.835 1.00 11.52 H new ATOM 979 N ILE A 72 1.158 2.787 0.721 1.00 54.10 N ATOM 980 CA ILE A 72 -0.127 2.143 0.984 1.00 4.52 C ATOM 981 C ILE A 72 -1.095 3.267 1.346 1.00 75.10 C ATOM 982 O ILE A 72 -0.989 3.824 2.443 1.00 73.24 O ATOM 983 CB ILE A 72 -0.014 1.096 2.120 1.00 72.33 C ATOM 984 CG1 ILE A 72 0.801 -0.121 1.648 1.00 64.41 C ATOM 985 CG2 ILE A 72 -1.404 0.616 2.602 1.00 43.52 C ATOM 986 CD1 ILE A 72 1.079 -1.122 2.762 1.00 0.11 C ATOM 0 H ILE A 72 1.323 3.579 1.342 1.00 54.10 H new ATOM 0 HA ILE A 72 -0.478 1.591 0.112 1.00 4.52 H new ATOM 0 HB ILE A 72 0.491 1.583 2.954 1.00 72.33 H new ATOM 0 HG12 ILE A 72 0.262 -0.622 0.844 1.00 64.41 H new ATOM 0 HG13 ILE A 72 1.748 0.223 1.232 1.00 64.41 H new ATOM 0 HG21 ILE A 72 -1.280 -0.117 3.399 1.00 43.52 H new ATOM 0 HG22 ILE A 72 -1.973 1.467 2.977 1.00 43.52 H new ATOM 0 HG23 ILE A 72 -1.940 0.160 1.770 1.00 43.52 H new ATOM 0 HD11 ILE A 72 1.657 -1.957 2.365 1.00 0.11 H new ATOM 0 HD12 ILE A 72 1.644 -0.635 3.557 1.00 0.11 H new ATOM 0 HD13 ILE A 72 0.135 -1.492 3.162 1.00 0.11 H new ATOM 997 N GLN A 73 -2.005 3.631 0.438 1.00 60.23 N ATOM 998 CA GLN A 73 -3.115 4.533 0.757 1.00 61.40 C ATOM 999 C GLN A 73 -4.070 3.834 1.725 1.00 20.43 C ATOM 1000 O GLN A 73 -4.331 2.640 1.558 1.00 64.42 O ATOM 1001 CB GLN A 73 -3.901 4.884 -0.517 1.00 40.33 C ATOM 1002 CG GLN A 73 -3.214 5.923 -1.409 1.00 55.20 C ATOM 1003 CD GLN A 73 -3.981 6.106 -2.717 1.00 71.02 C ATOM 1004 OE1 GLN A 73 -3.510 5.719 -3.782 1.00 55.24 O ATOM 1005 NE2 GLN A 73 -5.190 6.641 -2.681 1.00 32.43 N ATOM 0 H GLN A 73 -1.994 3.312 -0.531 1.00 60.23 H new ATOM 0 HA GLN A 73 -2.708 5.441 1.201 1.00 61.40 H new ATOM 0 HB2 GLN A 73 -4.061 3.974 -1.095 1.00 40.33 H new ATOM 0 HB3 GLN A 73 -4.885 5.258 -0.233 1.00 40.33 H new ATOM 0 HG2 GLN A 73 -3.150 6.876 -0.883 1.00 55.20 H new ATOM 0 HG3 GLN A 73 -2.193 5.608 -1.622 1.00 55.20 H new ATOM 0 HE21 GLN A 73 -5.579 6.962 -1.795 1.00 32.43 H new ATOM 0 HE22 GLN A 73 -5.733 6.733 -3.540 1.00 32.43 H new ATOM 1012 N LEU A 74 -4.647 4.572 2.677 1.00 73.12 N ATOM 1013 CA LEU A 74 -5.765 4.154 3.528 1.00 54.13 C ATOM 1014 C LEU A 74 -6.542 5.411 3.964 1.00 74.14 C ATOM 1015 O LEU A 74 -6.200 6.519 3.535 1.00 62.12 O ATOM 1016 CB LEU A 74 -5.243 3.318 4.712 1.00 34.45 C ATOM 1017 CG LEU A 74 -5.515 1.815 4.495 1.00 53.14 C ATOM 1018 CD1 LEU A 74 -4.471 0.990 5.234 1.00 14.44 C ATOM 1019 CD2 LEU A 74 -6.914 1.432 4.971 1.00 24.33 C ATOM 0 H LEU A 74 -4.334 5.520 2.885 1.00 73.12 H new ATOM 0 HA LEU A 74 -6.455 3.509 2.984 1.00 54.13 H new ATOM 0 HB2 LEU A 74 -4.172 3.483 4.833 1.00 34.45 H new ATOM 0 HB3 LEU A 74 -5.723 3.648 5.633 1.00 34.45 H new ATOM 0 HG LEU A 74 -5.453 1.608 3.427 1.00 53.14 H new ATOM 0 HD11 LEU A 74 -4.668 -0.071 5.077 1.00 14.44 H new ATOM 0 HD12 LEU A 74 -3.479 1.235 4.855 1.00 14.44 H new ATOM 0 HD13 LEU A 74 -4.518 1.214 6.300 1.00 14.44 H new ATOM 0 HD21 LEU A 74 -7.076 0.367 4.805 1.00 24.33 H new ATOM 0 HD22 LEU A 74 -7.010 1.652 6.034 1.00 24.33 H new ATOM 0 HD23 LEU A 74 -7.657 2.003 4.414 1.00 24.33 H new ATOM 1030 N SER A 75 -7.604 5.254 4.763 1.00 22.21 N ATOM 1031 CA SER A 75 -8.340 6.379 5.344 1.00 32.35 C ATOM 1032 C SER A 75 -7.603 6.956 6.567 1.00 40.21 C ATOM 1033 O SER A 75 -6.663 6.357 7.080 1.00 23.41 O ATOM 1034 CB SER A 75 -9.756 5.946 5.761 1.00 21.05 C ATOM 1035 OG SER A 75 -10.332 4.979 4.900 1.00 0.42 O ATOM 0 H SER A 75 -7.976 4.341 5.024 1.00 22.21 H new ATOM 0 HA SER A 75 -8.409 7.152 4.579 1.00 32.35 H new ATOM 0 HB2 SER A 75 -9.720 5.543 6.773 1.00 21.05 H new ATOM 0 HB3 SER A 75 -10.401 6.824 5.790 1.00 21.05 H new ATOM 0 HG SER A 75 -11.228 4.747 5.222 1.00 0.42 H new ATOM 1040 N THR A 76 -8.095 8.062 7.117 1.00 43.34 N ATOM 1041 CA THR A 76 -7.626 8.744 8.327 1.00 20.33 C ATOM 1042 C THR A 76 -7.395 7.808 9.515 1.00 21.33 C ATOM 1043 O THR A 76 -6.271 7.674 10.015 1.00 14.25 O ATOM 1044 CB THR A 76 -8.655 9.832 8.687 1.00 14.53 C ATOM 1045 OG1 THR A 76 -9.962 9.316 8.490 1.00 43.42 O ATOM 1046 CG2 THR A 76 -8.490 11.038 7.776 1.00 43.31 C ATOM 0 H THR A 76 -8.892 8.544 6.700 1.00 43.34 H new ATOM 0 HA THR A 76 -6.649 9.177 8.111 1.00 20.33 H new ATOM 0 HB THR A 76 -8.501 10.128 9.725 1.00 14.53 H new ATOM 0 HG1 THR A 76 -10.623 10.003 8.719 1.00 43.42 H new ATOM 0 HG21 THR A 76 -9.224 11.798 8.042 1.00 43.31 H new ATOM 0 HG22 THR A 76 -7.486 11.447 7.891 1.00 43.31 H new ATOM 0 HG23 THR A 76 -8.641 10.735 6.740 1.00 43.31 H new ATOM 1054 N ILE A 77 -8.480 7.218 10.016 1.00 1.11 N ATOM 1055 CA ILE A 77 -8.467 6.301 11.144 1.00 14.13 C ATOM 1056 C ILE A 77 -7.804 5.006 10.703 1.00 34.44 C ATOM 1057 O ILE A 77 -6.892 4.518 11.367 1.00 2.13 O ATOM 1058 CB ILE A 77 -9.898 6.109 11.669 1.00 4.13 C ATOM 1059 CG1 ILE A 77 -10.459 7.436 12.221 1.00 35.04 C ATOM 1060 CG2 ILE A 77 -9.956 5.000 12.727 1.00 55.14 C ATOM 1061 CD1 ILE A 77 -9.610 8.180 13.259 1.00 23.45 C ATOM 0 H ILE A 77 -9.414 7.372 9.635 1.00 1.11 H new ATOM 0 HA ILE A 77 -7.887 6.699 11.977 1.00 14.13 H new ATOM 0 HB ILE A 77 -10.525 5.799 10.833 1.00 4.13 H new ATOM 0 HG12 ILE A 77 -10.627 8.107 11.379 1.00 35.04 H new ATOM 0 HG13 ILE A 77 -11.433 7.232 12.666 1.00 35.04 H new ATOM 0 HG21 ILE A 77 -10.981 4.887 13.080 1.00 55.14 H new ATOM 0 HG22 ILE A 77 -9.618 4.061 12.289 1.00 55.14 H new ATOM 0 HG23 ILE A 77 -9.311 5.263 13.565 1.00 55.14 H new ATOM 0 HD11 ILE A 77 -10.122 9.094 13.560 1.00 23.45 H new ATOM 0 HD12 ILE A 77 -9.461 7.543 14.131 1.00 23.45 H new ATOM 0 HD13 ILE A 77 -8.643 8.433 12.824 1.00 23.45 H new ATOM 1072 N GLU A 78 -8.253 4.474 9.569 1.00 71.31 N ATOM 1073 CA GLU A 78 -7.885 3.147 9.126 1.00 44.31 C ATOM 1074 C GLU A 78 -6.373 3.050 8.905 1.00 23.05 C ATOM 1075 O GLU A 78 -5.781 2.036 9.265 1.00 75.03 O ATOM 1076 CB GLU A 78 -8.680 2.758 7.872 1.00 74.33 C ATOM 1077 CG GLU A 78 -10.201 2.920 8.021 1.00 41.10 C ATOM 1078 CD GLU A 78 -10.787 2.158 9.211 1.00 75.03 C ATOM 1079 OE1 GLU A 78 -10.502 0.955 9.383 1.00 21.03 O ATOM 1080 OE2 GLU A 78 -11.551 2.785 9.980 1.00 1.24 O ATOM 0 H GLU A 78 -8.885 4.960 8.934 1.00 71.31 H new ATOM 0 HA GLU A 78 -8.141 2.431 9.907 1.00 44.31 H new ATOM 0 HB2 GLU A 78 -8.340 3.368 7.035 1.00 74.33 H new ATOM 0 HB3 GLU A 78 -8.458 1.721 7.621 1.00 74.33 H new ATOM 0 HG2 GLU A 78 -10.436 3.979 8.128 1.00 41.10 H new ATOM 0 HG3 GLU A 78 -10.685 2.577 7.107 1.00 41.10 H new ATOM 1085 N ALA A 79 -5.710 4.094 8.391 1.00 24.03 N ATOM 1086 CA ALA A 79 -4.281 4.027 8.135 1.00 40.23 C ATOM 1087 C ALA A 79 -3.556 3.858 9.468 1.00 52.50 C ATOM 1088 O ALA A 79 -2.668 3.017 9.605 1.00 41.20 O ATOM 1089 CB ALA A 79 -3.808 5.282 7.399 1.00 52.43 C ATOM 0 H ALA A 79 -6.144 4.985 8.149 1.00 24.03 H new ATOM 0 HA ALA A 79 -4.056 3.174 7.494 1.00 40.23 H new ATOM 0 HB1 ALA A 79 -2.736 5.214 7.216 1.00 52.43 H new ATOM 0 HB2 ALA A 79 -4.334 5.366 6.448 1.00 52.43 H new ATOM 0 HB3 ALA A 79 -4.017 6.161 8.008 1.00 52.43 H new ATOM 1095 N ALA A 80 -3.975 4.646 10.463 1.00 60.43 N ATOM 1096 CA ALA A 80 -3.375 4.634 11.774 1.00 71.11 C ATOM 1097 C ALA A 80 -3.595 3.299 12.485 1.00 12.31 C ATOM 1098 O ALA A 80 -2.648 2.776 13.076 1.00 73.02 O ATOM 1099 CB ALA A 80 -3.915 5.788 12.618 1.00 63.04 C ATOM 0 H ALA A 80 -4.745 5.309 10.367 1.00 60.43 H new ATOM 0 HA ALA A 80 -2.300 4.763 11.647 1.00 71.11 H new ATOM 0 HB1 ALA A 80 -3.452 5.765 13.605 1.00 63.04 H new ATOM 0 HB2 ALA A 80 -3.683 6.735 12.131 1.00 63.04 H new ATOM 0 HB3 ALA A 80 -4.995 5.688 12.722 1.00 63.04 H new ATOM 1105 N GLN A 81 -4.820 2.753 12.475 1.00 64.40 N ATOM 1106 CA GLN A 81 -5.091 1.497 13.172 1.00 32.04 C ATOM 1107 C GLN A 81 -4.320 0.356 12.512 1.00 42.40 C ATOM 1108 O GLN A 81 -3.739 -0.462 13.228 1.00 72.40 O ATOM 1109 CB GLN A 81 -6.597 1.211 13.315 1.00 35.35 C ATOM 1110 CG GLN A 81 -7.258 0.622 12.064 1.00 4.52 C ATOM 1111 CD GLN A 81 -8.779 0.606 12.122 1.00 32.31 C ATOM 1112 OE1 GLN A 81 -9.410 1.512 12.659 1.00 51.32 O ATOM 1113 NE2 GLN A 81 -9.418 -0.403 11.561 1.00 1.21 N ATOM 0 H GLN A 81 -5.625 3.158 11.998 1.00 64.40 H new ATOM 0 HA GLN A 81 -4.730 1.590 14.196 1.00 32.04 H new ATOM 0 HB2 GLN A 81 -6.745 0.522 14.146 1.00 35.35 H new ATOM 0 HB3 GLN A 81 -7.106 2.139 13.576 1.00 35.35 H new ATOM 0 HG2 GLN A 81 -6.943 1.197 11.193 1.00 4.52 H new ATOM 0 HG3 GLN A 81 -6.899 -0.397 11.920 1.00 4.52 H new ATOM 0 HE21 GLN A 81 -8.892 -1.155 11.115 1.00 1.21 H new ATOM 0 HE22 GLN A 81 -10.438 -0.431 11.573 1.00 1.21 H new ATOM 1120 N LEU A 82 -4.273 0.317 11.172 1.00 53.52 N ATOM 1121 CA LEU A 82 -3.556 -0.726 10.457 1.00 21.44 C ATOM 1122 C LEU A 82 -2.084 -0.709 10.849 1.00 51.53 C ATOM 1123 O LEU A 82 -1.522 -1.777 11.080 1.00 34.22 O ATOM 1124 CB LEU A 82 -3.703 -0.599 8.923 1.00 35.15 C ATOM 1125 CG LEU A 82 -4.834 -1.411 8.250 1.00 0.22 C ATOM 1126 CD1 LEU A 82 -4.949 -2.831 8.799 1.00 51.10 C ATOM 1127 CD2 LEU A 82 -6.223 -0.784 8.308 1.00 72.23 C ATOM 0 H LEU A 82 -4.728 1.002 10.568 1.00 53.52 H new ATOM 0 HA LEU A 82 -4.000 -1.679 10.743 1.00 21.44 H new ATOM 0 HB2 LEU A 82 -3.855 0.454 8.685 1.00 35.15 H new ATOM 0 HB3 LEU A 82 -2.758 -0.895 8.468 1.00 35.15 H new ATOM 0 HG LEU A 82 -4.515 -1.419 7.208 1.00 0.22 H new ATOM 0 HD11 LEU A 82 -5.759 -3.353 8.290 1.00 51.10 H new ATOM 0 HD12 LEU A 82 -4.012 -3.363 8.632 1.00 51.10 H new ATOM 0 HD13 LEU A 82 -5.158 -2.792 9.868 1.00 51.10 H new ATOM 0 HD21 LEU A 82 -6.938 -1.436 7.807 1.00 72.23 H new ATOM 0 HD22 LEU A 82 -6.520 -0.652 9.349 1.00 72.23 H new ATOM 0 HD23 LEU A 82 -6.206 0.186 7.810 1.00 72.23 H new ATOM 1138 N LEU A 83 -1.476 0.476 10.973 1.00 62.14 N ATOM 1139 CA LEU A 83 -0.064 0.640 11.293 1.00 61.31 C ATOM 1140 C LEU A 83 0.350 -0.183 12.513 1.00 52.31 C ATOM 1141 O LEU A 83 1.386 -0.843 12.487 1.00 42.54 O ATOM 1142 CB LEU A 83 0.211 2.126 11.557 1.00 12.14 C ATOM 1143 CG LEU A 83 1.711 2.456 11.575 1.00 74.10 C ATOM 1144 CD1 LEU A 83 2.218 2.624 10.140 1.00 64.40 C ATOM 1145 CD2 LEU A 83 1.916 3.739 12.380 1.00 23.23 C ATOM 0 H LEU A 83 -1.966 1.362 10.850 1.00 62.14 H new ATOM 0 HA LEU A 83 0.522 0.282 10.446 1.00 61.31 H new ATOM 0 HB2 LEU A 83 -0.279 2.724 10.789 1.00 12.14 H new ATOM 0 HB3 LEU A 83 -0.231 2.409 12.512 1.00 12.14 H new ATOM 0 HG LEU A 83 2.274 1.647 12.040 1.00 74.10 H new ATOM 0 HD11 LEU A 83 3.282 2.858 10.155 1.00 64.40 H new ATOM 0 HD12 LEU A 83 2.058 1.699 9.587 1.00 64.40 H new ATOM 0 HD13 LEU A 83 1.675 3.435 9.655 1.00 64.40 H new ATOM 0 HD21 LEU A 83 2.977 3.988 12.403 1.00 23.23 H new ATOM 0 HD22 LEU A 83 1.362 4.554 11.914 1.00 23.23 H new ATOM 0 HD23 LEU A 83 1.556 3.591 13.398 1.00 23.23 H new ATOM 1156 N GLN A 84 -0.450 -0.126 13.580 1.00 2.15 N ATOM 1157 CA GLN A 84 -0.110 -0.660 14.899 1.00 12.34 C ATOM 1158 C GLN A 84 -0.010 -2.190 14.864 1.00 53.32 C ATOM 1159 O GLN A 84 0.765 -2.772 15.626 1.00 40.41 O ATOM 1160 CB GLN A 84 -1.161 -0.172 15.913 1.00 62.42 C ATOM 1161 CG GLN A 84 -0.961 1.317 16.243 1.00 15.11 C ATOM 1162 CD GLN A 84 -2.229 1.996 16.749 1.00 41.14 C ATOM 1163 OE1 GLN A 84 -2.528 2.017 17.941 1.00 0.13 O ATOM 1164 NE2 GLN A 84 -2.965 2.634 15.858 1.00 24.35 N ATOM 0 H GLN A 84 -1.375 0.303 13.549 1.00 2.15 H new ATOM 0 HA GLN A 84 0.870 -0.296 15.206 1.00 12.34 H new ATOM 0 HB2 GLN A 84 -2.161 -0.327 15.508 1.00 62.42 H new ATOM 0 HB3 GLN A 84 -1.092 -0.763 16.826 1.00 62.42 H new ATOM 0 HG2 GLN A 84 -0.179 1.414 16.997 1.00 15.11 H new ATOM 0 HG3 GLN A 84 -0.610 1.836 15.351 1.00 15.11 H new ATOM 0 HE21 GLN A 84 -2.707 2.609 14.872 1.00 24.35 H new ATOM 0 HE22 GLN A 84 -3.792 3.152 16.156 1.00 24.35 H new ATOM 1171 N ILE A 85 -0.747 -2.820 13.946 1.00 4.43 N ATOM 1172 CA ILE A 85 -0.758 -4.256 13.699 1.00 31.13 C ATOM 1173 C ILE A 85 0.577 -4.650 13.056 1.00 63.01 C ATOM 1174 O ILE A 85 1.175 -5.666 13.422 1.00 42.30 O ATOM 1175 CB ILE A 85 -1.958 -4.608 12.792 1.00 12.14 C ATOM 1176 CG1 ILE A 85 -3.285 -4.112 13.411 1.00 71.23 C ATOM 1177 CG2 ILE A 85 -2.033 -6.123 12.523 1.00 35.54 C ATOM 1178 CD1 ILE A 85 -4.453 -4.196 12.438 1.00 73.52 C ATOM 0 H ILE A 85 -1.381 -2.315 13.327 1.00 4.43 H new ATOM 0 HA ILE A 85 -0.871 -4.813 14.629 1.00 31.13 H new ATOM 0 HB ILE A 85 -1.805 -4.099 11.840 1.00 12.14 H new ATOM 0 HG12 ILE A 85 -3.512 -4.705 14.297 1.00 71.23 H new ATOM 0 HG13 ILE A 85 -3.165 -3.080 13.740 1.00 71.23 H new ATOM 0 HG21 ILE A 85 -2.888 -6.337 11.882 1.00 35.54 H new ATOM 0 HG22 ILE A 85 -1.118 -6.451 12.029 1.00 35.54 H new ATOM 0 HG23 ILE A 85 -2.146 -6.655 13.468 1.00 35.54 H new ATOM 0 HD11 ILE A 85 -5.359 -3.835 12.925 1.00 73.52 H new ATOM 0 HD12 ILE A 85 -4.242 -3.582 11.563 1.00 73.52 H new ATOM 0 HD13 ILE A 85 -4.595 -5.231 12.129 1.00 73.52 H new ATOM 1189 N LEU A 86 1.055 -3.843 12.097 1.00 74.10 N ATOM 1190 CA LEU A 86 2.297 -4.082 11.369 1.00 1.34 C ATOM 1191 C LEU A 86 3.464 -4.080 12.343 1.00 74.00 C ATOM 1192 O LEU A 86 4.353 -4.924 12.241 1.00 54.30 O ATOM 1193 CB LEU A 86 2.579 -3.011 10.299 1.00 3.54 C ATOM 1194 CG LEU A 86 1.398 -2.480 9.480 1.00 1.15 C ATOM 1195 CD1 LEU A 86 1.888 -1.441 8.471 1.00 0.35 C ATOM 1196 CD2 LEU A 86 0.651 -3.582 8.740 1.00 4.34 C ATOM 0 H LEU A 86 0.575 -2.992 11.805 1.00 74.10 H new ATOM 0 HA LEU A 86 2.185 -5.045 10.871 1.00 1.34 H new ATOM 0 HB2 LEU A 86 3.050 -2.162 10.794 1.00 3.54 H new ATOM 0 HB3 LEU A 86 3.311 -3.420 9.602 1.00 3.54 H new ATOM 0 HG LEU A 86 0.703 -2.028 10.187 1.00 1.15 H new ATOM 0 HD11 LEU A 86 1.042 -1.068 7.893 1.00 0.35 H new ATOM 0 HD12 LEU A 86 2.358 -0.613 9.001 1.00 0.35 H new ATOM 0 HD13 LEU A 86 2.613 -1.900 7.799 1.00 0.35 H new ATOM 0 HD21 LEU A 86 -0.175 -3.147 8.177 1.00 4.34 H new ATOM 0 HD22 LEU A 86 1.332 -4.086 8.054 1.00 4.34 H new ATOM 0 HD23 LEU A 86 0.261 -4.303 9.458 1.00 4.34 H new ATOM 1207 N GLN A 87 3.447 -3.143 13.301 1.00 73.14 N ATOM 1208 CA GLN A 87 4.496 -2.967 14.300 1.00 24.04 C ATOM 1209 C GLN A 87 4.571 -4.130 15.309 1.00 11.54 C ATOM 1210 O GLN A 87 5.258 -4.013 16.327 1.00 24.43 O ATOM 1211 CB GLN A 87 4.329 -1.638 15.051 1.00 51.24 C ATOM 1212 CG GLN A 87 4.070 -0.375 14.218 1.00 24.11 C ATOM 1213 CD GLN A 87 4.686 0.882 14.821 1.00 2.13 C ATOM 1214 OE1 GLN A 87 4.533 1.152 16.005 1.00 22.15 O ATOM 1215 NE2 GLN A 87 5.384 1.682 14.030 1.00 42.51 N ATOM 0 H GLN A 87 2.684 -2.474 13.400 1.00 73.14 H new ATOM 0 HA GLN A 87 5.435 -2.955 13.747 1.00 24.04 H new ATOM 0 HB2 GLN A 87 3.503 -1.751 15.754 1.00 51.24 H new ATOM 0 HB3 GLN A 87 5.230 -1.471 15.642 1.00 51.24 H new ATOM 0 HG2 GLN A 87 4.470 -0.522 13.215 1.00 24.11 H new ATOM 0 HG3 GLN A 87 2.995 -0.231 14.115 1.00 24.11 H new ATOM 0 HE21 GLN A 87 5.505 1.447 13.045 1.00 42.51 H new ATOM 0 HE22 GLN A 87 5.801 2.534 14.406 1.00 42.51 H new ATOM 1222 N ALA A 88 3.829 -5.215 15.083 1.00 42.42 N ATOM 1223 CA ALA A 88 3.755 -6.402 15.919 1.00 54.40 C ATOM 1224 C ALA A 88 3.821 -7.710 15.108 1.00 11.03 C ATOM 1225 O ALA A 88 3.653 -8.777 15.705 1.00 20.23 O ATOM 1226 CB ALA A 88 2.475 -6.313 16.763 1.00 60.14 C ATOM 0 H ALA A 88 3.230 -5.287 14.261 1.00 42.42 H new ATOM 0 HA ALA A 88 4.628 -6.432 16.571 1.00 54.40 H new ATOM 0 HB1 ALA A 88 2.397 -7.194 17.400 1.00 60.14 H new ATOM 0 HB2 ALA A 88 2.510 -5.418 17.384 1.00 60.14 H new ATOM 0 HB3 ALA A 88 1.608 -6.263 16.105 1.00 60.14 H new ATOM 1232 N LEU A 89 4.067 -7.679 13.788 1.00 41.14 N ATOM 1233 CA LEU A 89 4.240 -8.888 12.972 1.00 72.20 C ATOM 1234 C LEU A 89 5.359 -8.721 11.950 1.00 23.55 C ATOM 1235 O LEU A 89 5.873 -7.619 11.750 1.00 15.31 O ATOM 1236 CB LEU A 89 2.905 -9.334 12.338 1.00 52.43 C ATOM 1237 CG LEU A 89 2.381 -8.520 11.129 1.00 11.44 C ATOM 1238 CD1 LEU A 89 2.922 -8.999 9.778 1.00 64.24 C ATOM 1239 CD2 LEU A 89 0.851 -8.618 11.096 1.00 33.21 C ATOM 0 H LEU A 89 4.151 -6.812 13.257 1.00 41.14 H new ATOM 0 HA LEU A 89 4.552 -9.697 13.632 1.00 72.20 H new ATOM 0 HB2 LEU A 89 3.012 -10.372 12.024 1.00 52.43 H new ATOM 0 HB3 LEU A 89 2.140 -9.313 13.114 1.00 52.43 H new ATOM 0 HG LEU A 89 2.729 -7.496 11.268 1.00 11.44 H new ATOM 0 HD11 LEU A 89 2.510 -8.380 8.981 1.00 64.24 H new ATOM 0 HD12 LEU A 89 4.009 -8.921 9.773 1.00 64.24 H new ATOM 0 HD13 LEU A 89 2.632 -10.038 9.618 1.00 64.24 H new ATOM 0 HD21 LEU A 89 0.468 -8.049 10.249 1.00 33.21 H new ATOM 0 HD22 LEU A 89 0.555 -9.662 10.995 1.00 33.21 H new ATOM 0 HD23 LEU A 89 0.440 -8.213 12.021 1.00 33.21 H new ATOM 1250 N HIS A 90 5.724 -9.823 11.293 1.00 14.22 N ATOM 1251 CA HIS A 90 6.755 -9.897 10.268 1.00 51.02 C ATOM 1252 C HIS A 90 6.227 -10.706 9.076 1.00 74.30 C ATOM 1253 O HIS A 90 5.472 -11.660 9.278 1.00 24.45 O ATOM 1254 CB HIS A 90 8.013 -10.543 10.861 1.00 1.43 C ATOM 1255 CG HIS A 90 7.736 -11.848 11.573 1.00 20.13 C ATOM 1256 ND1 HIS A 90 7.443 -11.984 12.911 1.00 20.11 N ATOM 1257 CD2 HIS A 90 7.650 -13.088 10.998 1.00 32.45 C ATOM 1258 CE1 HIS A 90 7.189 -13.281 13.138 1.00 14.11 C ATOM 1259 NE2 HIS A 90 7.291 -13.995 12.003 1.00 12.23 N ATOM 0 H HIS A 90 5.286 -10.727 11.472 1.00 14.22 H new ATOM 0 HA HIS A 90 7.013 -8.897 9.918 1.00 51.02 H new ATOM 0 HB2 HIS A 90 8.734 -10.719 10.062 1.00 1.43 H new ATOM 0 HB3 HIS A 90 8.476 -9.847 11.560 1.00 1.43 H new ATOM 0 HD2 HIS A 90 7.827 -13.324 9.959 1.00 32.45 H new ATOM 0 HE1 HIS A 90 6.937 -13.696 14.102 1.00 14.11 H new ATOM 0 HE2 HIS A 90 7.137 -14.998 11.895 1.00 12.23 H new ATOM 1266 N PRO A 91 6.602 -10.355 7.837 1.00 62.41 N ATOM 1267 CA PRO A 91 6.112 -11.044 6.656 1.00 62.50 C ATOM 1268 C PRO A 91 6.867 -12.356 6.386 1.00 43.14 C ATOM 1269 O PRO A 91 7.991 -12.534 6.863 1.00 71.54 O ATOM 1270 CB PRO A 91 6.318 -10.050 5.510 1.00 35.31 C ATOM 1271 CG PRO A 91 7.555 -9.277 5.944 1.00 75.43 C ATOM 1272 CD PRO A 91 7.454 -9.238 7.466 1.00 55.24 C ATOM 0 HA PRO A 91 5.069 -11.337 6.776 1.00 62.50 H new ATOM 0 HB2 PRO A 91 6.473 -10.558 4.558 1.00 35.31 H new ATOM 0 HB3 PRO A 91 5.456 -9.395 5.385 1.00 35.31 H new ATOM 0 HG2 PRO A 91 8.469 -9.772 5.618 1.00 75.43 H new ATOM 0 HG3 PRO A 91 7.567 -8.273 5.519 1.00 75.43 H new ATOM 0 HD2 PRO A 91 8.438 -9.328 7.925 1.00 55.24 H new ATOM 0 HD3 PRO A 91 7.029 -8.293 7.805 1.00 55.24 H new ATOM 1277 N PRO A 92 6.292 -13.246 5.559 1.00 75.23 N ATOM 1278 CA PRO A 92 6.969 -14.448 5.093 1.00 60.52 C ATOM 1279 C PRO A 92 8.052 -14.119 4.059 1.00 32.21 C ATOM 1280 O PRO A 92 9.186 -14.588 4.166 1.00 4.04 O ATOM 1281 CB PRO A 92 5.852 -15.338 4.531 1.00 32.52 C ATOM 1282 CG PRO A 92 4.759 -14.358 4.109 1.00 1.31 C ATOM 1283 CD PRO A 92 4.910 -13.209 5.099 1.00 0.24 C ATOM 0 HA PRO A 92 7.508 -14.958 5.892 1.00 60.52 H new ATOM 0 HB2 PRO A 92 6.203 -15.929 3.685 1.00 32.52 H new ATOM 0 HB3 PRO A 92 5.488 -16.040 5.281 1.00 32.52 H new ATOM 0 HG2 PRO A 92 4.896 -14.023 3.081 1.00 1.31 H new ATOM 0 HG3 PRO A 92 3.769 -14.811 4.168 1.00 1.31 H new ATOM 0 HD2 PRO A 92 4.683 -12.254 4.624 1.00 0.24 H new ATOM 0 HD3 PRO A 92 4.219 -13.322 5.934 1.00 0.24 H new ATOM 1288 N LEU A 93 7.700 -13.307 3.057 1.00 75.12 N ATOM 1289 CA LEU A 93 8.583 -12.880 1.979 1.00 55.00 C ATOM 1290 C LEU A 93 9.788 -12.163 2.581 1.00 40.03 C ATOM 1291 O LEU A 93 9.654 -11.025 3.035 1.00 54.54 O ATOM 1292 CB LEU A 93 7.833 -11.945 1.014 1.00 41.00 C ATOM 1293 CG LEU A 93 7.179 -12.564 -0.230 1.00 33.33 C ATOM 1294 CD1 LEU A 93 8.250 -13.053 -1.210 1.00 42.11 C ATOM 1295 CD2 LEU A 93 6.173 -13.667 0.101 1.00 73.31 C ATOM 0 H LEU A 93 6.760 -12.919 2.976 1.00 75.12 H new ATOM 0 HA LEU A 93 8.920 -13.751 1.416 1.00 55.00 H new ATOM 0 HB2 LEU A 93 7.054 -11.435 1.581 1.00 41.00 H new ATOM 0 HB3 LEU A 93 8.534 -11.181 0.677 1.00 41.00 H new ATOM 0 HG LEU A 93 6.600 -11.774 -0.709 1.00 33.33 H new ATOM 0 HD11 LEU A 93 7.770 -13.489 -2.086 1.00 42.11 H new ATOM 0 HD12 LEU A 93 8.872 -12.213 -1.518 1.00 42.11 H new ATOM 0 HD13 LEU A 93 8.871 -13.806 -0.724 1.00 42.11 H new ATOM 0 HD21 LEU A 93 5.748 -14.061 -0.822 1.00 73.31 H new ATOM 0 HD22 LEU A 93 6.677 -14.469 0.640 1.00 73.31 H new ATOM 0 HD23 LEU A 93 5.376 -13.258 0.721 1.00 73.31 H new ATOM 1306 N THR A 94 10.946 -12.815 2.546 1.00 74.21 N ATOM 1307 CA THR A 94 12.198 -12.352 3.118 1.00 20.41 C ATOM 1308 C THR A 94 13.270 -12.444 2.023 1.00 32.42 C ATOM 1309 O THR A 94 14.205 -13.250 2.063 1.00 62.04 O ATOM 1310 CB THR A 94 12.543 -13.210 4.338 1.00 55.01 C ATOM 1311 OG1 THR A 94 11.467 -13.377 5.252 1.00 60.24 O ATOM 1312 CG2 THR A 94 13.729 -12.659 5.123 1.00 4.45 C ATOM 0 H THR A 94 11.037 -13.725 2.095 1.00 74.21 H new ATOM 0 HA THR A 94 12.130 -11.319 3.459 1.00 20.41 H new ATOM 0 HB THR A 94 12.790 -14.179 3.904 1.00 55.01 H new ATOM 0 HG1 THR A 94 10.730 -13.846 4.808 1.00 60.24 H new ATOM 0 HG21 THR A 94 13.931 -13.305 5.977 1.00 4.45 H new ATOM 0 HG22 THR A 94 14.607 -12.624 4.478 1.00 4.45 H new ATOM 0 HG23 THR A 94 13.497 -11.654 5.475 1.00 4.45 H new ATOM 1320 N ILE A 95 13.096 -11.641 0.986 1.00 34.13 N ATOM 1321 CA ILE A 95 13.977 -11.651 -0.180 1.00 60.32 C ATOM 1322 C ILE A 95 15.357 -11.168 0.269 1.00 63.04 C ATOM 1323 O ILE A 95 15.439 -10.238 1.069 1.00 60.20 O ATOM 1324 CB ILE A 95 13.378 -10.837 -1.356 1.00 12.24 C ATOM 1325 CG1 ILE A 95 14.120 -11.113 -2.680 1.00 54.43 C ATOM 1326 CG2 ILE A 95 13.334 -9.315 -1.124 1.00 4.52 C ATOM 1327 CD1 ILE A 95 14.003 -12.572 -3.139 1.00 13.23 C ATOM 0 H ILE A 95 12.339 -10.960 0.925 1.00 34.13 H new ATOM 0 HA ILE A 95 14.080 -12.661 -0.577 1.00 60.32 H new ATOM 0 HB ILE A 95 12.347 -11.186 -1.418 1.00 12.24 H new ATOM 0 HG12 ILE A 95 13.721 -10.460 -3.457 1.00 54.43 H new ATOM 0 HG13 ILE A 95 15.173 -10.859 -2.560 1.00 54.43 H new ATOM 0 HG21 ILE A 95 12.901 -8.826 -1.997 1.00 4.52 H new ATOM 0 HG22 ILE A 95 12.725 -9.098 -0.247 1.00 4.52 H new ATOM 0 HG23 ILE A 95 14.346 -8.942 -0.964 1.00 4.52 H new ATOM 0 HD11 ILE A 95 14.545 -12.703 -4.075 1.00 13.23 H new ATOM 0 HD12 ILE A 95 14.427 -13.228 -2.379 1.00 13.23 H new ATOM 0 HD13 ILE A 95 12.953 -12.823 -3.289 1.00 13.23 H new ATOM 1338 N ASP A 96 16.439 -11.792 -0.207 1.00 40.21 N ATOM 1339 CA ASP A 96 17.830 -11.426 0.120 1.00 15.31 C ATOM 1340 C ASP A 96 18.119 -11.460 1.635 1.00 35.14 C ATOM 1341 O ASP A 96 19.110 -10.900 2.104 1.00 35.04 O ATOM 1342 CB ASP A 96 18.137 -10.059 -0.515 1.00 13.12 C ATOM 1343 CG ASP A 96 19.609 -9.643 -0.562 1.00 64.21 C ATOM 1344 OD1 ASP A 96 20.517 -10.492 -0.728 1.00 0.14 O ATOM 1345 OD2 ASP A 96 19.844 -8.411 -0.596 1.00 0.14 O ATOM 0 H ASP A 96 16.376 -12.585 -0.846 1.00 40.21 H new ATOM 0 HA ASP A 96 18.502 -12.174 -0.300 1.00 15.31 H new ATOM 0 HB2 ASP A 96 17.751 -10.062 -1.534 1.00 13.12 H new ATOM 0 HB3 ASP A 96 17.584 -9.296 0.033 1.00 13.12 H new ATOM 1349 N GLY A 97 17.243 -12.096 2.424 1.00 72.13 N ATOM 1350 CA GLY A 97 17.345 -12.145 3.875 1.00 32.42 C ATOM 1351 C GLY A 97 16.879 -10.847 4.536 1.00 11.15 C ATOM 1352 O GLY A 97 17.259 -10.593 5.681 1.00 24.05 O ATOM 0 H GLY A 97 16.433 -12.597 2.059 1.00 72.13 H new ATOM 0 HA2 GLY A 97 16.748 -12.976 4.251 1.00 32.42 H new ATOM 0 HA3 GLY A 97 18.379 -12.343 4.157 1.00 32.42 H new ATOM 1356 N LYS A 98 16.110 -10.006 3.834 1.00 64.30 N ATOM 1357 CA LYS A 98 15.653 -8.705 4.318 1.00 32.23 C ATOM 1358 C LYS A 98 14.312 -8.838 4.994 1.00 52.43 C ATOM 1359 O LYS A 98 13.480 -9.638 4.574 1.00 15.15 O ATOM 1360 CB LYS A 98 15.450 -7.743 3.144 1.00 43.20 C ATOM 1361 CG LYS A 98 16.770 -7.290 2.539 1.00 63.40 C ATOM 1362 CD LYS A 98 17.426 -6.193 3.382 1.00 44.24 C ATOM 1363 CE LYS A 98 17.384 -4.840 2.673 1.00 24.45 C ATOM 1364 NZ LYS A 98 17.328 -3.738 3.645 1.00 22.34 N ATOM 0 H LYS A 98 15.783 -10.220 2.892 1.00 64.30 H new ATOM 0 HA LYS A 98 16.408 -8.332 5.010 1.00 32.23 H new ATOM 0 HB2 LYS A 98 14.849 -8.230 2.377 1.00 43.20 H new ATOM 0 HB3 LYS A 98 14.889 -6.872 3.483 1.00 43.20 H new ATOM 0 HG2 LYS A 98 17.446 -8.141 2.458 1.00 63.40 H new ATOM 0 HG3 LYS A 98 16.600 -6.921 1.528 1.00 63.40 H new ATOM 0 HD2 LYS A 98 16.916 -6.117 4.343 1.00 44.24 H new ATOM 0 HD3 LYS A 98 18.461 -6.463 3.591 1.00 44.24 H new ATOM 0 HE2 LYS A 98 18.266 -4.729 2.042 1.00 24.45 H new ATOM 0 HE3 LYS A 98 16.515 -4.796 2.017 1.00 24.45 H new ATOM 0 HZ1 LYS A 98 16.369 -3.335 3.659 1.00 22.34 H new ATOM 0 HZ2 LYS A 98 17.566 -4.097 4.591 1.00 22.34 H new ATOM 0 HZ3 LYS A 98 18.009 -3.001 3.373 1.00 22.34 H new ATOM 1374 N THR A 99 14.033 -7.913 5.893 1.00 22.44 N ATOM 1375 CA THR A 99 12.771 -7.810 6.608 1.00 63.20 C ATOM 1376 C THR A 99 12.273 -6.365 6.521 1.00 11.51 C ATOM 1377 O THR A 99 13.018 -5.465 6.127 1.00 40.54 O ATOM 1378 CB THR A 99 12.949 -8.338 8.040 1.00 52.31 C ATOM 1379 OG1 THR A 99 14.133 -7.833 8.623 1.00 15.51 O ATOM 1380 CG2 THR A 99 12.992 -9.868 8.089 1.00 52.52 C ATOM 0 H THR A 99 14.700 -7.187 6.156 1.00 22.44 H new ATOM 0 HA THR A 99 11.997 -8.432 6.158 1.00 63.20 H new ATOM 0 HB THR A 99 12.082 -7.993 8.603 1.00 52.31 H new ATOM 0 HG1 THR A 99 14.223 -8.182 9.534 1.00 15.51 H new ATOM 0 HG21 THR A 99 13.119 -10.196 9.121 1.00 52.52 H new ATOM 0 HG22 THR A 99 12.060 -10.271 7.692 1.00 52.52 H new ATOM 0 HG23 THR A 99 13.828 -10.228 7.489 1.00 52.52 H new ATOM 1388 N ILE A 100 10.991 -6.143 6.809 1.00 3.54 N ATOM 1389 CA ILE A 100 10.252 -4.984 6.326 1.00 43.43 C ATOM 1390 C ILE A 100 9.885 -4.142 7.541 1.00 75.44 C ATOM 1391 O ILE A 100 9.221 -4.622 8.459 1.00 4.53 O ATOM 1392 CB ILE A 100 9.007 -5.446 5.546 1.00 61.34 C ATOM 1393 CG1 ILE A 100 9.283 -6.586 4.540 1.00 33.34 C ATOM 1394 CG2 ILE A 100 8.341 -4.264 4.830 1.00 11.21 C ATOM 1395 CD1 ILE A 100 10.398 -6.324 3.534 1.00 60.11 C ATOM 0 H ILE A 100 10.434 -6.770 7.390 1.00 3.54 H new ATOM 0 HA ILE A 100 10.850 -4.385 5.639 1.00 43.43 H new ATOM 0 HB ILE A 100 8.329 -5.854 6.296 1.00 61.34 H new ATOM 0 HG12 ILE A 100 9.528 -7.488 5.100 1.00 33.34 H new ATOM 0 HG13 ILE A 100 8.364 -6.792 3.991 1.00 33.34 H new ATOM 0 HG21 ILE A 100 7.464 -4.615 4.286 1.00 11.21 H new ATOM 0 HG22 ILE A 100 8.038 -3.518 5.564 1.00 11.21 H new ATOM 0 HG23 ILE A 100 9.047 -3.818 4.130 1.00 11.21 H new ATOM 0 HD11 ILE A 100 10.506 -7.188 2.878 1.00 60.11 H new ATOM 0 HD12 ILE A 100 10.152 -5.445 2.939 1.00 60.11 H new ATOM 0 HD13 ILE A 100 11.334 -6.152 4.065 1.00 60.11 H new ATOM 1406 N ASN A 101 10.331 -2.892 7.552 1.00 21.02 N ATOM 1407 CA ASN A 101 10.028 -1.930 8.603 1.00 53.20 C ATOM 1408 C ASN A 101 8.685 -1.256 8.355 1.00 51.51 C ATOM 1409 O ASN A 101 8.073 -1.446 7.304 1.00 12.34 O ATOM 1410 CB ASN A 101 11.107 -0.839 8.694 1.00 34.43 C ATOM 1411 CG ASN A 101 11.605 -0.693 10.123 1.00 33.45 C ATOM 1412 OD1 ASN A 101 10.859 -0.863 11.086 1.00 54.33 O ATOM 1413 ND2 ASN A 101 12.875 -0.388 10.287 1.00 41.32 N ATOM 0 H ASN A 101 10.925 -2.512 6.816 1.00 21.02 H new ATOM 0 HA ASN A 101 9.996 -2.488 9.539 1.00 53.20 H new ATOM 0 HB2 ASN A 101 11.940 -1.089 8.037 1.00 34.43 H new ATOM 0 HB3 ASN A 101 10.701 0.111 8.346 1.00 34.43 H new ATOM 0 HD21 ASN A 101 13.258 -0.288 11.227 1.00 41.32 H new ATOM 0 HD22 ASN A 101 13.476 -0.251 9.474 1.00 41.32 H new ATOM 1419 N VAL A 102 8.266 -0.405 9.289 1.00 71.10 N ATOM 1420 CA VAL A 102 7.000 0.308 9.262 1.00 60.33 C ATOM 1421 C VAL A 102 7.227 1.749 9.723 1.00 11.12 C ATOM 1422 O VAL A 102 7.876 1.989 10.743 1.00 51.44 O ATOM 1423 CB VAL A 102 5.961 -0.482 10.094 1.00 40.31 C ATOM 1424 CG1 VAL A 102 6.483 -1.002 11.448 1.00 72.42 C ATOM 1425 CG2 VAL A 102 4.701 0.361 10.330 1.00 55.10 C ATOM 0 H VAL A 102 8.824 -0.188 10.115 1.00 71.10 H new ATOM 0 HA VAL A 102 6.591 0.377 8.254 1.00 60.33 H new ATOM 0 HB VAL A 102 5.731 -1.361 9.492 1.00 40.31 H new ATOM 0 HG11 VAL A 102 5.688 -1.543 11.961 1.00 72.42 H new ATOM 0 HG12 VAL A 102 7.327 -1.671 11.280 1.00 72.42 H new ATOM 0 HG13 VAL A 102 6.804 -0.160 12.062 1.00 72.42 H new ATOM 0 HG21 VAL A 102 3.984 -0.213 10.917 1.00 55.10 H new ATOM 0 HG22 VAL A 102 4.967 1.270 10.870 1.00 55.10 H new ATOM 0 HG23 VAL A 102 4.256 0.626 9.371 1.00 55.10 H new ATOM 1435 N GLU A 103 6.685 2.708 8.979 1.00 13.23 N ATOM 1436 CA GLU A 103 6.614 4.131 9.280 1.00 34.24 C ATOM 1437 C GLU A 103 5.280 4.630 8.691 1.00 61.20 C ATOM 1438 O GLU A 103 4.606 3.909 7.948 1.00 32.35 O ATOM 1439 CB GLU A 103 7.877 4.789 8.686 1.00 35.05 C ATOM 1440 CG GLU A 103 7.940 6.321 8.637 1.00 34.12 C ATOM 1441 CD GLU A 103 7.898 6.953 10.025 1.00 32.11 C ATOM 1442 OE1 GLU A 103 8.968 7.039 10.670 1.00 13.11 O ATOM 1443 OE2 GLU A 103 6.813 7.403 10.461 1.00 52.14 O ATOM 0 H GLU A 103 6.251 2.492 8.081 1.00 13.23 H new ATOM 0 HA GLU A 103 6.612 4.378 10.342 1.00 34.24 H new ATOM 0 HB2 GLU A 103 8.736 4.438 9.258 1.00 35.05 H new ATOM 0 HB3 GLU A 103 7.999 4.418 7.668 1.00 35.05 H new ATOM 0 HG2 GLU A 103 8.855 6.628 8.129 1.00 34.12 H new ATOM 0 HG3 GLU A 103 7.106 6.697 8.045 1.00 34.12 H new ATOM 1448 N PHE A 104 4.862 5.849 9.017 1.00 15.55 N ATOM 1449 CA PHE A 104 3.580 6.399 8.627 1.00 35.32 C ATOM 1450 C PHE A 104 3.819 7.818 8.159 1.00 73.33 C ATOM 1451 O PHE A 104 4.023 8.717 8.970 1.00 61.01 O ATOM 1452 CB PHE A 104 2.635 6.323 9.824 1.00 1.53 C ATOM 1453 CG PHE A 104 1.169 6.650 9.618 1.00 35.31 C ATOM 1454 CD1 PHE A 104 0.569 6.662 8.342 1.00 11.41 C ATOM 1455 CD2 PHE A 104 0.377 6.885 10.756 1.00 53.13 C ATOM 1456 CE1 PHE A 104 -0.808 6.908 8.214 1.00 64.12 C ATOM 1457 CE2 PHE A 104 -1.000 7.116 10.630 1.00 42.33 C ATOM 1458 CZ PHE A 104 -1.594 7.119 9.358 1.00 20.15 C ATOM 0 H PHE A 104 5.424 6.493 9.574 1.00 15.55 H new ATOM 0 HA PHE A 104 3.116 5.843 7.813 1.00 35.32 H new ATOM 0 HB2 PHE A 104 2.694 5.312 10.228 1.00 1.53 H new ATOM 0 HB3 PHE A 104 3.019 6.996 10.591 1.00 1.53 H new ATOM 0 HD1 PHE A 104 1.169 6.482 7.462 1.00 11.41 H new ATOM 0 HD2 PHE A 104 0.833 6.888 11.735 1.00 53.13 H new ATOM 0 HE1 PHE A 104 -1.263 6.935 7.235 1.00 64.12 H new ATOM 0 HE2 PHE A 104 -1.602 7.291 11.509 1.00 42.33 H new ATOM 0 HZ PHE A 104 -2.657 7.284 9.259 1.00 20.15 H new ATOM 1467 N ALA A 105 3.799 8.037 6.849 1.00 61.30 N ATOM 1468 CA ALA A 105 4.083 9.343 6.251 1.00 22.35 C ATOM 1469 C ALA A 105 2.922 10.341 6.413 1.00 60.03 C ATOM 1470 O ALA A 105 2.785 11.268 5.611 1.00 11.12 O ATOM 1471 CB ALA A 105 4.449 9.160 4.775 1.00 21.23 C ATOM 0 H ALA A 105 3.584 7.311 6.165 1.00 61.30 H new ATOM 0 HA ALA A 105 4.928 9.776 6.787 1.00 22.35 H new ATOM 0 HB1 ALA A 105 4.660 10.132 4.329 1.00 21.23 H new ATOM 0 HB2 ALA A 105 5.331 8.524 4.695 1.00 21.23 H new ATOM 0 HB3 ALA A 105 3.616 8.693 4.249 1.00 21.23 H new ATOM 1477 N LYS A 106 2.043 10.142 7.403 1.00 32.41 N ATOM 1478 CA LYS A 106 0.967 11.055 7.738 1.00 75.03 C ATOM 1479 C LYS A 106 1.533 12.458 7.968 1.00 41.50 C ATOM 1480 O LYS A 106 2.693 12.619 8.365 1.00 24.12 O ATOM 1481 CB LYS A 106 0.223 10.537 8.971 1.00 43.24 C ATOM 1482 CG LYS A 106 -1.210 11.067 8.924 1.00 61.42 C ATOM 1483 CD LYS A 106 -2.016 10.583 10.118 1.00 41.20 C ATOM 1484 CE LYS A 106 -3.320 11.374 10.314 1.00 74.03 C ATOM 1485 NZ LYS A 106 -4.551 10.599 10.054 1.00 3.44 N ATOM 0 H LYS A 106 2.070 9.317 8.003 1.00 32.41 H new ATOM 0 HA LYS A 106 0.256 11.113 6.914 1.00 75.03 H new ATOM 0 HB2 LYS A 106 0.225 9.447 8.985 1.00 43.24 H new ATOM 0 HB3 LYS A 106 0.721 10.869 9.882 1.00 43.24 H new ATOM 0 HG2 LYS A 106 -1.197 12.157 8.909 1.00 61.42 H new ATOM 0 HG3 LYS A 106 -1.691 10.741 8.002 1.00 61.42 H new ATOM 0 HD2 LYS A 106 -2.253 9.527 9.987 1.00 41.20 H new ATOM 0 HD3 LYS A 106 -1.408 10.664 11.019 1.00 41.20 H new ATOM 0 HE2 LYS A 106 -3.352 11.750 11.336 1.00 74.03 H new ATOM 0 HE3 LYS A 106 -3.306 12.242 9.655 1.00 74.03 H new ATOM 0 HZ1 LYS A 106 -5.322 10.962 10.650 1.00 3.44 H new ATOM 0 HZ2 LYS A 106 -4.815 10.692 9.052 1.00 3.44 H new ATOM 0 HZ3 LYS A 106 -4.384 9.597 10.276 1.00 3.44 H new ATOM 1495 N GLY A 107 0.697 13.460 7.732 1.00 33.25 N ATOM 1496 CA GLY A 107 1.065 14.849 7.896 1.00 63.14 C ATOM 1497 C GLY A 107 0.639 15.413 9.245 1.00 33.35 C ATOM 1498 O GLY A 107 0.239 14.687 10.157 1.00 75.03 O ATOM 0 H GLY A 107 -0.264 13.324 7.418 1.00 33.25 H new ATOM 0 HA2 GLY A 107 2.145 14.950 7.789 1.00 63.14 H new ATOM 0 HA3 GLY A 107 0.609 15.438 7.100 1.00 63.14 H new ATOM 1502 N SER A 108 0.718 16.734 9.358 1.00 11.42 N ATOM 1503 CA SER A 108 0.244 17.509 10.503 1.00 55.32 C ATOM 1504 C SER A 108 -1.295 17.627 10.509 1.00 20.04 C ATOM 1505 O SER A 108 -1.979 17.128 9.604 1.00 21.44 O ATOM 1506 CB SER A 108 0.941 18.882 10.469 1.00 12.25 C ATOM 1507 OG SER A 108 0.885 19.451 9.173 1.00 34.33 O ATOM 0 H SER A 108 1.129 17.318 8.629 1.00 11.42 H new ATOM 0 HA SER A 108 0.500 17.001 11.433 1.00 55.32 H new ATOM 0 HB2 SER A 108 0.465 19.553 11.185 1.00 12.25 H new ATOM 0 HB3 SER A 108 1.981 18.773 10.777 1.00 12.25 H new ATOM 0 HG SER A 108 1.333 20.323 9.179 1.00 34.33 H new ATOM 1512 N LYS A 109 -1.855 18.294 11.528 1.00 43.32 N ATOM 1513 CA LYS A 109 -3.270 18.651 11.637 1.00 51.34 C ATOM 1514 C LYS A 109 -3.446 19.856 12.561 1.00 71.10 C ATOM 1515 O LYS A 109 -2.457 20.353 13.110 1.00 60.13 O ATOM 1516 CB LYS A 109 -4.070 17.445 12.144 1.00 40.14 C ATOM 1517 CG LYS A 109 -3.808 17.079 13.615 1.00 12.22 C ATOM 1518 CD LYS A 109 -4.289 15.665 13.956 1.00 2.11 C ATOM 1519 CE LYS A 109 -3.436 14.669 13.171 1.00 73.20 C ATOM 1520 NZ LYS A 109 -3.497 13.299 13.697 1.00 2.51 N ATOM 0 H LYS A 109 -1.309 18.611 12.329 1.00 43.32 H new ATOM 0 HA LYS A 109 -3.648 18.928 10.653 1.00 51.34 H new ATOM 0 HB2 LYS A 109 -5.133 17.651 12.018 1.00 40.14 H new ATOM 0 HB3 LYS A 109 -3.836 16.582 11.521 1.00 40.14 H new ATOM 0 HG2 LYS A 109 -2.741 17.157 13.822 1.00 12.22 H new ATOM 0 HG3 LYS A 109 -4.312 17.798 14.261 1.00 12.22 H new ATOM 0 HD2 LYS A 109 -4.200 15.481 15.027 1.00 2.11 H new ATOM 0 HD3 LYS A 109 -5.342 15.549 13.699 1.00 2.11 H new ATOM 0 HE2 LYS A 109 -3.762 14.665 12.131 1.00 73.20 H new ATOM 0 HE3 LYS A 109 -2.399 15.006 13.178 1.00 73.20 H new ATOM 0 HZ1 LYS A 109 -2.796 12.707 13.207 1.00 2.51 H new ATOM 0 HZ2 LYS A 109 -3.289 13.309 14.716 1.00 2.51 H new ATOM 0 HZ3 LYS A 109 -4.449 12.909 13.541 1.00 2.51 H new ATOM 1530 N ARG A 110 -4.694 20.283 12.782 1.00 21.35 N ATOM 1531 CA ARG A 110 -5.125 21.056 13.946 1.00 1.13 C ATOM 1532 C ARG A 110 -6.617 20.789 14.166 1.00 13.13 C ATOM 1533 O ARG A 110 -7.278 20.256 13.272 1.00 75.22 O ATOM 1534 CB ARG A 110 -4.859 22.552 13.704 1.00 2.53 C ATOM 1535 CG ARG A 110 -4.692 23.338 15.019 1.00 71.23 C ATOM 1536 CD ARG A 110 -4.432 24.823 14.761 1.00 24.33 C ATOM 1537 NE ARG A 110 -3.228 25.007 13.936 1.00 31.31 N ATOM 1538 CZ ARG A 110 -3.112 25.723 12.817 1.00 14.43 C ATOM 1539 NH1 ARG A 110 -4.055 26.593 12.469 1.00 52.30 N ATOM 1540 NH2 ARG A 110 -2.023 25.596 12.081 1.00 42.34 N ATOM 0 H ARG A 110 -5.456 20.092 12.131 1.00 21.35 H new ATOM 0 HA ARG A 110 -4.569 20.760 14.835 1.00 1.13 H new ATOM 0 HB2 ARG A 110 -3.959 22.665 13.099 1.00 2.53 H new ATOM 0 HB3 ARG A 110 -5.683 22.977 13.132 1.00 2.53 H new ATOM 0 HG2 ARG A 110 -5.590 23.226 15.627 1.00 71.23 H new ATOM 0 HG3 ARG A 110 -3.865 22.918 15.592 1.00 71.23 H new ATOM 0 HD2 ARG A 110 -5.293 25.266 14.260 1.00 24.33 H new ATOM 0 HD3 ARG A 110 -4.312 25.346 15.710 1.00 24.33 H new ATOM 0 HE ARG A 110 -2.384 24.532 14.257 1.00 31.31 H new ATOM 0 HH11 ARG A 110 -4.877 26.718 13.060 1.00 52.30 H new ATOM 0 HH12 ARG A 110 -3.957 27.136 11.611 1.00 52.30 H new ATOM 0 HH21 ARG A 110 -1.283 24.956 12.371 1.00 42.34 H new ATOM 0 HH22 ARG A 110 -1.921 26.138 11.223 1.00 42.34 H new ATOM 1551 N ASP A 111 -7.160 21.204 15.309 1.00 74.10 N ATOM 1552 CA ASP A 111 -8.594 21.259 15.618 1.00 71.24 C ATOM 1553 C ASP A 111 -8.788 22.422 16.600 1.00 12.54 C ATOM 1554 O ASP A 111 -7.824 22.774 17.295 1.00 74.20 O ATOM 1555 CB ASP A 111 -9.043 19.930 16.245 1.00 35.23 C ATOM 1556 CG ASP A 111 -10.499 19.596 15.930 1.00 14.43 C ATOM 1557 OD1 ASP A 111 -10.767 19.184 14.779 1.00 13.11 O ATOM 1558 OD2 ASP A 111 -11.344 19.654 16.849 1.00 71.41 O ATOM 0 H ASP A 111 -6.585 21.528 16.087 1.00 74.10 H new ATOM 0 HA ASP A 111 -9.192 21.414 14.720 1.00 71.24 H new ATOM 0 HB2 ASP A 111 -8.403 19.126 15.882 1.00 35.23 H new ATOM 0 HB3 ASP A 111 -8.911 19.979 17.326 1.00 35.23 H new ATOM 1562 N MET A 112 -9.971 23.042 16.665 1.00 1.11 N ATOM 1563 CA MET A 112 -10.290 24.141 17.586 1.00 43.41 C ATOM 1564 C MET A 112 -11.802 24.401 17.586 1.00 61.03 C ATOM 1565 O MET A 112 -12.390 24.514 16.502 1.00 44.43 O ATOM 1566 CB MET A 112 -9.559 25.432 17.150 1.00 24.11 C ATOM 1567 CG MET A 112 -9.167 26.319 18.337 1.00 14.35 C ATOM 1568 SD MET A 112 -10.505 27.133 19.248 1.00 20.01 S ATOM 1569 CE MET A 112 -9.503 28.016 20.474 1.00 62.13 C ATOM 0 H MET A 112 -10.754 22.788 16.063 1.00 1.11 H new ATOM 0 HA MET A 112 -9.964 23.859 18.587 1.00 43.41 H new ATOM 0 HB2 MET A 112 -8.663 25.166 16.589 1.00 24.11 H new ATOM 0 HB3 MET A 112 -10.201 25.998 16.475 1.00 24.11 H new ATOM 0 HG2 MET A 112 -8.603 25.708 19.042 1.00 14.35 H new ATOM 0 HG3 MET A 112 -8.490 27.091 17.971 1.00 14.35 H new ATOM 0 HE1 MET A 112 -10.156 28.584 21.137 1.00 62.13 H new ATOM 0 HE2 MET A 112 -8.928 27.298 21.059 1.00 62.13 H new ATOM 0 HE3 MET A 112 -8.822 28.698 19.964 1.00 62.13 H new ATOM 1577 N ALA A 113 -12.427 24.568 18.755 1.00 74.32 N ATOM 1578 CA ALA A 113 -13.790 25.087 18.877 1.00 60.41 C ATOM 1579 C ALA A 113 -13.904 26.039 20.066 1.00 3.24 C ATOM 1580 O ALA A 113 -13.155 25.933 21.042 1.00 12.11 O ATOM 1581 CB ALA A 113 -14.792 23.936 19.003 1.00 75.34 C ATOM 0 H ALA A 113 -11.996 24.344 19.652 1.00 74.32 H new ATOM 0 HA ALA A 113 -14.025 25.649 17.973 1.00 60.41 H new ATOM 0 HB1 ALA A 113 -15.800 24.340 19.093 1.00 75.34 H new ATOM 0 HB2 ALA A 113 -14.732 23.303 18.118 1.00 75.34 H new ATOM 0 HB3 ALA A 113 -14.558 23.345 19.888 1.00 75.34 H new ATOM 1587 N SER A 114 -14.843 26.980 20.006 1.00 2.43 N ATOM 1588 CA SER A 114 -15.130 28.007 20.988 1.00 41.12 C ATOM 1589 C SER A 114 -16.526 28.538 20.663 1.00 20.05 C ATOM 1590 O SER A 114 -16.750 28.945 19.522 1.00 4.25 O ATOM 1591 CB SER A 114 -14.114 29.127 20.795 1.00 43.32 C ATOM 1592 OG SER A 114 -12.825 28.730 21.234 1.00 72.00 O ATOM 0 H SER A 114 -15.469 27.044 19.203 1.00 2.43 H new ATOM 0 HA SER A 114 -15.081 27.631 22.010 1.00 41.12 H new ATOM 0 HB2 SER A 114 -14.073 29.407 19.742 1.00 43.32 H new ATOM 0 HB3 SER A 114 -14.433 30.011 21.347 1.00 43.32 H new ATOM 0 HG SER A 114 -12.354 28.281 20.501 1.00 72.00 H new ATOM 1597 N ASN A 115 -17.467 28.497 21.610 1.00 35.04 N ATOM 1598 CA ASN A 115 -18.857 28.863 21.348 1.00 55.22 C ATOM 1599 C ASN A 115 -19.505 29.328 22.656 1.00 63.22 C ATOM 1600 O ASN A 115 -19.757 28.499 23.526 1.00 13.43 O ATOM 1601 CB ASN A 115 -19.590 27.650 20.743 1.00 71.21 C ATOM 1602 CG ASN A 115 -20.844 28.070 19.992 1.00 32.01 C ATOM 1603 OD1 ASN A 115 -21.630 28.882 20.454 1.00 74.31 O ATOM 1604 ND2 ASN A 115 -21.047 27.534 18.797 1.00 53.53 N ATOM 0 H ASN A 115 -17.287 28.211 22.572 1.00 35.04 H new ATOM 0 HA ASN A 115 -18.916 29.683 20.632 1.00 55.22 H new ATOM 0 HB2 ASN A 115 -18.920 27.120 20.066 1.00 71.21 H new ATOM 0 HB3 ASN A 115 -19.857 26.953 21.537 1.00 71.21 H new ATOM 0 HD21 ASN A 115 -21.868 27.799 18.252 1.00 53.53 H new ATOM 0 HD22 ASN A 115 -20.383 26.857 18.422 1.00 53.53 H new ATOM 1610 N GLU A 116 -19.683 30.637 22.843 1.00 63.44 N ATOM 1611 CA GLU A 116 -20.450 31.259 23.924 1.00 41.40 C ATOM 1612 C GLU A 116 -20.813 32.676 23.427 1.00 35.25 C ATOM 1613 O GLU A 116 -20.240 33.153 22.441 1.00 15.31 O ATOM 1614 CB GLU A 116 -19.608 31.309 25.227 1.00 13.35 C ATOM 1615 CG GLU A 116 -20.407 31.085 26.530 1.00 61.32 C ATOM 1616 CD GLU A 116 -21.474 32.153 26.783 1.00 22.34 C ATOM 1617 OE1 GLU A 116 -21.138 33.262 27.234 1.00 43.50 O ATOM 1618 OE2 GLU A 116 -22.649 31.945 26.393 1.00 23.33 O ATOM 0 H GLU A 116 -19.275 31.327 22.212 1.00 63.44 H new ATOM 0 HA GLU A 116 -21.349 30.691 24.163 1.00 41.40 H new ATOM 0 HB2 GLU A 116 -18.825 30.554 25.165 1.00 13.35 H new ATOM 0 HB3 GLU A 116 -19.113 32.278 25.285 1.00 13.35 H new ATOM 0 HG2 GLU A 116 -20.886 30.107 26.490 1.00 61.32 H new ATOM 0 HG3 GLU A 116 -19.715 31.067 27.372 1.00 61.32 H new ATOM 1623 N GLY A 117 -21.720 33.366 24.119 1.00 21.02 N ATOM 1624 CA GLY A 117 -22.005 34.786 23.970 1.00 75.42 C ATOM 1625 C GLY A 117 -23.309 35.211 24.657 1.00 31.21 C ATOM 1626 O GLY A 117 -23.871 36.245 24.301 1.00 42.51 O ATOM 0 H GLY A 117 -22.302 32.925 24.832 1.00 21.02 H new ATOM 0 HA2 GLY A 117 -21.178 35.362 24.384 1.00 75.42 H new ATOM 0 HA3 GLY A 117 -22.063 35.030 22.909 1.00 75.42 H new ATOM 1630 N SER A 118 -23.842 34.423 25.594 1.00 73.33 N ATOM 1631 CA SER A 118 -25.241 34.484 26.009 1.00 42.40 C ATOM 1632 C SER A 118 -25.618 35.691 26.879 1.00 21.05 C ATOM 1633 O SER A 118 -26.802 35.873 27.178 1.00 34.32 O ATOM 1634 CB SER A 118 -25.594 33.176 26.730 1.00 60.23 C ATOM 1635 OG SER A 118 -24.662 32.875 27.751 1.00 74.00 O ATOM 0 H SER A 118 -23.303 33.714 26.092 1.00 73.33 H new ATOM 0 HA SER A 118 -25.825 34.614 25.098 1.00 42.40 H new ATOM 0 HB2 SER A 118 -26.592 33.255 27.160 1.00 60.23 H new ATOM 0 HB3 SER A 118 -25.621 32.359 26.009 1.00 60.23 H new ATOM 0 HG SER A 118 -23.932 32.338 27.379 1.00 74.00 H new ATOM 1640 N ARG A 119 -24.664 36.516 27.326 1.00 52.13 N ATOM 1641 CA ARG A 119 -24.907 37.536 28.348 1.00 61.12 C ATOM 1642 C ARG A 119 -25.494 38.809 27.739 1.00 60.22 C ATOM 1643 O ARG A 119 -24.928 39.898 27.813 1.00 54.40 O ATOM 1644 CB ARG A 119 -23.672 37.753 29.240 1.00 2.32 C ATOM 1645 CG ARG A 119 -24.082 38.183 30.660 1.00 40.51 C ATOM 1646 CD ARG A 119 -24.589 39.626 30.758 1.00 15.52 C ATOM 1647 NE ARG A 119 -24.821 40.052 32.153 1.00 51.44 N ATOM 1648 CZ ARG A 119 -25.895 40.716 32.606 1.00 5.53 C ATOM 1649 NH1 ARG A 119 -26.965 40.905 31.842 1.00 63.44 N ATOM 1650 NH2 ARG A 119 -25.896 41.200 33.847 1.00 3.15 N ATOM 0 H ARG A 119 -23.702 36.494 26.988 1.00 52.13 H new ATOM 0 HA ARG A 119 -25.676 37.171 29.028 1.00 61.12 H new ATOM 0 HB2 ARG A 119 -23.089 36.833 29.289 1.00 2.32 H new ATOM 0 HB3 ARG A 119 -23.029 38.514 28.798 1.00 2.32 H new ATOM 0 HG2 ARG A 119 -24.861 37.511 31.020 1.00 40.51 H new ATOM 0 HG3 ARG A 119 -23.226 38.065 31.325 1.00 40.51 H new ATOM 0 HD2 ARG A 119 -23.864 40.294 30.294 1.00 15.52 H new ATOM 0 HD3 ARG A 119 -25.517 39.720 30.194 1.00 15.52 H new ATOM 0 HE ARG A 119 -24.098 39.820 32.834 1.00 51.44 H new ATOM 0 HH11 ARG A 119 -26.982 40.542 30.889 1.00 63.44 H new ATOM 0 HH12 ARG A 119 -27.770 41.413 32.208 1.00 63.44 H new ATOM 0 HH21 ARG A 119 -25.083 41.065 34.448 1.00 3.15 H new ATOM 0 HH22 ARG A 119 -26.710 41.706 34.197 1.00 3.15 H new ATOM 1661 N ILE A 120 -26.704 38.665 27.231 1.00 33.15 N ATOM 1662 CA ILE A 120 -27.678 39.739 27.057 1.00 75.14 C ATOM 1663 C ILE A 120 -28.252 40.156 28.418 1.00 61.33 C ATOM 1664 O ILE A 120 -27.807 39.694 29.473 1.00 35.33 O ATOM 1665 CB ILE A 120 -28.785 39.322 26.063 1.00 51.32 C ATOM 1666 CG1 ILE A 120 -29.471 37.996 26.459 1.00 74.30 C ATOM 1667 CG2 ILE A 120 -28.186 39.283 24.654 1.00 53.22 C ATOM 1668 CD1 ILE A 120 -30.868 37.853 25.840 1.00 64.03 C ATOM 0 H ILE A 120 -27.054 37.761 26.914 1.00 33.15 H new ATOM 0 HA ILE A 120 -27.177 40.607 26.628 1.00 75.14 H new ATOM 0 HB ILE A 120 -29.585 40.062 26.087 1.00 51.32 H new ATOM 0 HG12 ILE A 120 -28.849 37.159 26.142 1.00 74.30 H new ATOM 0 HG13 ILE A 120 -29.550 37.941 27.545 1.00 74.30 H new ATOM 0 HG21 ILE A 120 -28.955 38.990 23.940 1.00 53.22 H new ATOM 0 HG22 ILE A 120 -27.806 40.271 24.393 1.00 53.22 H new ATOM 0 HG23 ILE A 120 -27.370 38.561 24.625 1.00 53.22 H new ATOM 0 HD11 ILE A 120 -31.307 36.905 26.149 1.00 64.03 H new ATOM 0 HD12 ILE A 120 -31.501 38.673 26.178 1.00 64.03 H new ATOM 0 HD13 ILE A 120 -30.789 37.879 24.753 1.00 64.03 H new ATOM 1679 N SER A 121 -29.234 41.059 28.422 1.00 3.21 N ATOM 1680 CA SER A 121 -29.920 41.511 29.617 1.00 35.33 C ATOM 1681 C SER A 121 -31.347 41.893 29.220 1.00 72.41 C ATOM 1682 O SER A 121 -31.560 42.355 28.101 1.00 75.44 O ATOM 1683 CB SER A 121 -29.136 42.694 30.185 1.00 51.11 C ATOM 1684 OG SER A 121 -29.211 42.736 31.606 1.00 63.13 O ATOM 0 H SER A 121 -29.577 41.502 27.570 1.00 3.21 H new ATOM 0 HA SER A 121 -29.977 40.741 30.387 1.00 35.33 H new ATOM 0 HB2 SER A 121 -28.093 42.622 29.877 1.00 51.11 H new ATOM 0 HB3 SER A 121 -29.527 43.623 29.771 1.00 51.11 H new ATOM 0 HG SER A 121 -28.698 43.502 31.938 1.00 63.13 H new ATOM 1689 N ALA A 122 -32.304 41.730 30.134 1.00 64.13 N ATOM 1690 CA ALA A 122 -33.682 42.192 30.022 1.00 44.33 C ATOM 1691 C ALA A 122 -34.204 42.423 31.444 1.00 41.24 C ATOM 1692 O ALA A 122 -33.562 41.986 32.402 1.00 34.21 O ATOM 1693 CB ALA A 122 -34.528 41.129 29.305 1.00 61.22 C ATOM 0 H ALA A 122 -32.127 41.248 31.015 1.00 64.13 H new ATOM 0 HA ALA A 122 -33.740 43.114 29.444 1.00 44.33 H new ATOM 0 HB1 ALA A 122 -35.557 41.478 29.223 1.00 61.22 H new ATOM 0 HB2 ALA A 122 -34.124 40.954 28.308 1.00 61.22 H new ATOM 0 HB3 ALA A 122 -34.504 40.200 29.874 1.00 61.22 H new ATOM 1699 N ALA A 123 -35.362 43.074 31.578 1.00 64.23 N ATOM 1700 CA ALA A 123 -36.184 43.078 32.781 1.00 40.30 C ATOM 1701 C ALA A 123 -37.590 43.508 32.356 1.00 33.11 C ATOM 1702 O ALA A 123 -38.410 42.664 32.017 1.00 11.22 O ATOM 1703 CB ALA A 123 -35.586 44.000 33.862 1.00 75.30 C ATOM 0 H ALA A 123 -35.763 43.631 30.823 1.00 64.23 H new ATOM 0 HA ALA A 123 -36.222 42.088 33.235 1.00 40.30 H new ATOM 0 HB1 ALA A 123 -36.221 43.982 34.748 1.00 75.30 H new ATOM 0 HB2 ALA A 123 -34.587 43.652 34.125 1.00 75.30 H new ATOM 0 HB3 ALA A 123 -35.526 45.019 33.479 1.00 75.30 H new ATOM 1709 N SER A 124 -37.837 44.816 32.290 1.00 33.45 N ATOM 1710 CA SER A 124 -39.015 45.457 31.729 1.00 24.32 C ATOM 1711 C SER A 124 -38.632 46.918 31.469 1.00 63.13 C ATOM 1712 O SER A 124 -37.515 47.332 31.792 1.00 51.22 O ATOM 1713 CB SER A 124 -40.196 45.317 32.700 1.00 15.21 C ATOM 1714 OG SER A 124 -41.405 45.698 32.075 1.00 32.34 O ATOM 0 H SER A 124 -37.171 45.498 32.653 1.00 33.45 H new ATOM 0 HA SER A 124 -39.335 44.994 30.796 1.00 24.32 H new ATOM 0 HB2 SER A 124 -40.269 44.286 33.045 1.00 15.21 H new ATOM 0 HB3 SER A 124 -40.025 45.937 33.580 1.00 15.21 H new ATOM 0 HG SER A 124 -42.146 45.600 32.709 1.00 32.34 H new ATOM 1719 N VAL A 125 -39.538 47.695 30.882 1.00 0.45 N ATOM 1720 CA VAL A 125 -39.374 49.105 30.572 1.00 42.30 C ATOM 1721 C VAL A 125 -40.730 49.751 30.867 1.00 1.23 C ATOM 1722 O VAL A 125 -41.774 49.132 30.654 1.00 62.22 O ATOM 1723 CB VAL A 125 -38.943 49.273 29.093 1.00 52.51 C ATOM 1724 CG1 VAL A 125 -38.780 50.751 28.700 1.00 72.20 C ATOM 1725 CG2 VAL A 125 -37.614 48.561 28.782 1.00 41.11 C ATOM 0 H VAL A 125 -40.450 47.337 30.597 1.00 0.45 H new ATOM 0 HA VAL A 125 -38.594 49.581 31.166 1.00 42.30 H new ATOM 0 HB VAL A 125 -39.748 48.819 28.515 1.00 52.51 H new ATOM 0 HG11 VAL A 125 -38.477 50.818 27.655 1.00 72.20 H new ATOM 0 HG12 VAL A 125 -39.728 51.271 28.837 1.00 72.20 H new ATOM 0 HG13 VAL A 125 -38.019 51.213 29.329 1.00 72.20 H new ATOM 0 HG21 VAL A 125 -37.358 48.710 27.733 1.00 41.11 H new ATOM 0 HG22 VAL A 125 -36.825 48.973 29.410 1.00 41.11 H new ATOM 0 HG23 VAL A 125 -37.717 47.495 28.982 1.00 41.11 H new ATOM 1735 N ALA A 126 -40.723 50.996 31.339 1.00 22.24 N ATOM 1736 CA ALA A 126 -41.901 51.837 31.465 1.00 62.22 C ATOM 1737 C ALA A 126 -41.507 53.238 31.007 1.00 14.32 C ATOM 1738 O ALA A 126 -40.376 53.671 31.236 1.00 72.11 O ATOM 1739 CB ALA A 126 -42.394 51.846 32.916 1.00 44.12 C ATOM 0 H ALA A 126 -39.869 51.457 31.653 1.00 22.24 H new ATOM 0 HA ALA A 126 -42.719 51.459 30.852 1.00 62.22 H new ATOM 0 HB1 ALA A 126 -43.277 52.480 32.996 1.00 44.12 H new ATOM 0 HB2 ALA A 126 -42.647 50.831 33.220 1.00 44.12 H new ATOM 0 HB3 ALA A 126 -41.609 52.234 33.565 1.00 44.12 H new ATOM 1745 N SER A 127 -42.422 53.940 30.341 1.00 22.45 N ATOM 1746 CA SER A 127 -42.223 55.309 29.861 1.00 0.53 C ATOM 1747 C SER A 127 -43.561 56.055 29.732 1.00 41.43 C ATOM 1748 O SER A 127 -43.629 57.093 29.080 1.00 64.40 O ATOM 1749 CB SER A 127 -41.474 55.295 28.517 1.00 44.43 C ATOM 1750 OG SER A 127 -40.318 54.473 28.565 1.00 63.02 O ATOM 0 H SER A 127 -43.343 53.566 30.114 1.00 22.45 H new ATOM 0 HA SER A 127 -41.618 55.843 30.594 1.00 0.53 H new ATOM 0 HB2 SER A 127 -42.142 54.938 27.733 1.00 44.43 H new ATOM 0 HB3 SER A 127 -41.186 56.312 28.251 1.00 44.43 H new ATOM 0 HG SER A 127 -39.870 54.488 27.694 1.00 63.02 H new ATOM 1755 N THR A 128 -44.642 55.504 30.284 1.00 4.43 N ATOM 1756 CA THR A 128 -45.953 56.125 30.291 1.00 12.54 C ATOM 1757 C THR A 128 -45.954 57.338 31.231 1.00 21.21 C ATOM 1758 O THR A 128 -45.187 57.397 32.193 1.00 55.23 O ATOM 1759 CB THR A 128 -46.995 55.064 30.706 1.00 22.21 C ATOM 1760 OG1 THR A 128 -46.439 54.092 31.585 1.00 55.54 O ATOM 1761 CG2 THR A 128 -47.508 54.307 29.476 1.00 53.44 C ATOM 0 H THR A 128 -44.623 54.595 30.746 1.00 4.43 H new ATOM 0 HA THR A 128 -46.211 56.493 29.298 1.00 12.54 H new ATOM 0 HB THR A 128 -47.800 55.603 31.206 1.00 22.21 H new ATOM 0 HG1 THR A 128 -47.128 53.438 31.828 1.00 55.54 H new ATOM 0 HG21 THR A 128 -48.242 53.563 29.786 1.00 53.44 H new ATOM 0 HG22 THR A 128 -47.974 55.009 28.785 1.00 53.44 H new ATOM 0 HG23 THR A 128 -46.674 53.810 28.981 1.00 53.44 H new ATOM 1769 N ALA A 129 -46.854 58.283 30.961 1.00 44.44 N ATOM 1770 CA ALA A 129 -47.159 59.450 31.771 1.00 61.13 C ATOM 1771 C ALA A 129 -48.651 59.749 31.576 1.00 55.12 C ATOM 1772 O ALA A 129 -49.347 58.983 30.904 1.00 54.14 O ATOM 1773 CB ALA A 129 -46.273 60.627 31.330 1.00 4.24 C ATOM 0 H ALA A 129 -47.423 58.246 30.115 1.00 44.44 H new ATOM 0 HA ALA A 129 -46.956 59.279 32.828 1.00 61.13 H new ATOM 0 HB1 ALA A 129 -46.502 61.502 31.938 1.00 4.24 H new ATOM 0 HB2 ALA A 129 -45.224 60.361 31.458 1.00 4.24 H new ATOM 0 HB3 ALA A 129 -46.464 60.853 30.281 1.00 4.24 H new ATOM 1779 N ILE A 130 -49.128 60.859 32.135 1.00 11.32 N ATOM 1780 CA ILE A 130 -50.414 61.475 31.830 1.00 23.01 C ATOM 1781 C ILE A 130 -50.072 62.912 31.419 1.00 22.12 C ATOM 1782 O ILE A 130 -49.050 63.447 31.862 1.00 74.04 O ATOM 1783 CB ILE A 130 -51.356 61.399 33.062 1.00 42.13 C ATOM 1784 CG1 ILE A 130 -51.616 59.954 33.554 1.00 64.32 C ATOM 1785 CG2 ILE A 130 -52.703 62.110 32.828 1.00 63.31 C ATOM 1786 CD1 ILE A 130 -52.403 59.056 32.588 1.00 20.32 C ATOM 0 H ILE A 130 -48.605 61.374 32.843 1.00 11.32 H new ATOM 0 HA ILE A 130 -50.956 60.968 31.031 1.00 23.01 H new ATOM 0 HB ILE A 130 -50.812 61.927 33.846 1.00 42.13 H new ATOM 0 HG12 ILE A 130 -50.656 59.481 33.761 1.00 64.32 H new ATOM 0 HG13 ILE A 130 -52.157 60.003 34.499 1.00 64.32 H new ATOM 0 HG21 ILE A 130 -53.320 62.024 33.723 1.00 63.31 H new ATOM 0 HG22 ILE A 130 -52.525 63.163 32.609 1.00 63.31 H new ATOM 0 HG23 ILE A 130 -53.218 61.646 31.986 1.00 63.31 H new ATOM 0 HD11 ILE A 130 -52.529 58.068 33.030 1.00 20.32 H new ATOM 0 HD12 ILE A 130 -53.382 59.496 32.398 1.00 20.32 H new ATOM 0 HD13 ILE A 130 -51.858 58.966 31.649 1.00 20.32 H new ATOM 1797 N ALA A 131 -50.911 63.511 30.582 1.00 33.04 N ATOM 1798 CA ALA A 131 -50.947 64.911 30.211 1.00 75.13 C ATOM 1799 C ALA A 131 -52.423 65.252 30.012 1.00 35.30 C ATOM 1800 O ALA A 131 -53.212 64.288 29.854 1.00 0.43 O ATOM 1801 CB ALA A 131 -50.149 65.149 28.924 1.00 53.11 C ATOM 0 H ALA A 131 -51.643 62.981 30.109 1.00 33.04 H new ATOM 0 HA ALA A 131 -50.496 65.542 30.977 1.00 75.13 H new ATOM 0 HB1 ALA A 131 -50.188 66.206 28.662 1.00 53.11 H new ATOM 0 HB2 ALA A 131 -49.112 64.852 29.079 1.00 53.11 H new ATOM 0 HB3 ALA A 131 -50.579 64.559 28.115 1.00 53.11 H new TER 1807 ALA A 131