USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 944 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 70 GLN : amide:sc= 0.575 K(o=1.7,f=-6.4) USER MOD Set 1.2: A 98 LYS NZ :NH3+ -158:sc= 1.13 (180deg=0.555) USER MOD Set 2.1: A 34 LYS NZ :NH3+ -159:sc= 1.26 (180deg=-0.0569) USER MOD Set 2.2: A 37 GLN : amide:sc= 1.05 K(o=2.3,f=-4.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0.0638 (180deg=0.037) USER MOD Single : A 3 HIS :FLIP no HE2:sc= 0.0449 F(o=-0.84,f=0.045) USER MOD Single : A 4 HIS : no HD1:sc= -0.438 X(o=-0.44,f=-0.19) USER MOD Single : A 5 HIS : no HD1:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.062 X(o=-0.062,f=-0.0016) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 157:sc= -0.188 (180deg=-0.932) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 16 THR OG1 : rot 57:sc= -0.0419 USER MOD Single : A 21 SER OG : rot 43:sc= 0.0753 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.00432 USER MOD Single : A 28 THR OG1 : rot 82:sc= 0.886 USER MOD Single : A 35 HIS : no HE2:sc= 0.862 K(o=0.86,f=-6.3!) USER MOD Single : A 38 GLN : amide:sc=-0.000142 X(o=-0.00014,f=-0.016) USER MOD Single : A 40 HIS : no HD1:sc=-0.00103 X(o=-0.001,f=-0.0097) USER MOD Single : A 41 SER OG : rot 81:sc= 1.08 USER MOD Single : A 43 LYS NZ :NH3+ -138:sc= -0.0621 (180deg=-0.417) USER MOD Single : A 46 SER OG : rot -51:sc= 0.217 USER MOD Single : A 50 THR OG1 : rot -103:sc= 0.0806 USER MOD Single : A 53 GLN : amide:sc= 0.73 K(o=0.73,f=-4.8!) USER MOD Single : A 56 ASN : amide:sc=-0.00902 X(o=-0.009,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 61:sc= 1.18 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 MET CE :methyl -163:sc= -0.0255 (180deg=-0.313) USER MOD Single : A 78 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.1!) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.117 F(o=-1.8!,f=-0.12) USER MOD Single : A 83 MET CE :methyl -112:sc= -0.903 (180deg=-6.49!) USER MOD Single : A 85 GLN : amide:sc= 0.185 X(o=0.19,f=-0.17) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -141:sc= -0.198 (180deg=-1.31) USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 3.33 (180deg=3.14) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.156 K(o=-0.16,f=-0.8) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0.00641 USER MOD Single : A 112 MET CE :methyl -111:sc= -0.49 (180deg=-4.24!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0.223 K(o=0.22,f=-5.2!) USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 120 SER OG : rot -41:sc= 0.0344 USER MOD Single : A 121 SER OG : rot 57:sc= 0.0388 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 37.878 -24.539 -37.000 1.00 40.33 N ATOM 2 CA MET A 1 38.993 -23.714 -36.478 1.00 44.33 C ATOM 3 C MET A 1 38.995 -22.330 -37.121 1.00 43.22 C ATOM 4 O MET A 1 38.714 -22.187 -38.314 1.00 44.22 O ATOM 5 CB MET A 1 40.334 -24.424 -36.738 1.00 42.42 C ATOM 6 CG MET A 1 41.562 -23.622 -36.328 1.00 10.10 C ATOM 7 SD MET A 1 42.104 -22.457 -37.599 1.00 24.32 S ATOM 8 CE MET A 1 43.382 -21.571 -36.710 1.00 54.12 C ATOM 0 H1 MET A 1 37.771 -25.390 -36.412 1.00 40.33 H new ATOM 0 H2 MET A 1 36.997 -23.987 -36.975 1.00 40.33 H new ATOM 0 H3 MET A 1 38.083 -24.820 -37.980 1.00 40.33 H new ATOM 0 HA MET A 1 38.856 -23.588 -35.404 1.00 44.33 H new ATOM 0 HB2 MET A 1 40.339 -25.372 -36.201 1.00 42.42 H new ATOM 0 HB3 MET A 1 40.407 -24.659 -37.800 1.00 42.42 H new ATOM 0 HG2 MET A 1 41.342 -23.074 -35.412 1.00 10.10 H new ATOM 0 HG3 MET A 1 42.378 -24.308 -36.101 1.00 10.10 H new ATOM 0 HE1 MET A 1 43.818 -20.812 -37.360 1.00 54.12 H new ATOM 0 HE2 MET A 1 42.949 -21.092 -35.832 1.00 54.12 H new ATOM 0 HE3 MET A 1 44.158 -22.269 -36.396 1.00 54.12 H new ATOM 20 N GLY A 2 39.268 -21.313 -36.307 1.00 3.35 N ATOM 21 CA GLY A 2 39.532 -19.978 -36.815 1.00 54.23 C ATOM 22 C GLY A 2 38.317 -19.294 -37.404 1.00 15.34 C ATOM 23 O GLY A 2 37.453 -18.808 -36.674 1.00 23.24 O ATOM 0 H GLY A 2 39.311 -21.393 -35.291 1.00 3.35 H new ATOM 0 HA2 GLY A 2 39.926 -19.363 -36.006 1.00 54.23 H new ATOM 0 HA3 GLY A 2 40.309 -20.037 -37.577 1.00 54.23 H new ATOM 27 N HIS A 3 38.253 -19.274 -38.731 1.00 41.21 N ATOM 28 CA HIS A 3 37.222 -18.528 -39.460 1.00 42.43 C ATOM 29 C HIS A 3 35.821 -19.117 -39.282 1.00 52.13 C ATOM 30 O HIS A 3 34.843 -18.550 -39.765 1.00 15.24 O ATOM 31 CB HIS A 3 37.575 -18.430 -40.958 1.00 4.24 C ATOM 32 CG HIS A 3 37.687 -19.741 -41.687 1.00 61.34 C ATOM 33 ND1 HIS A 3 37.865 -21.005 -41.234 1.00 0.24 N flip ATOM 34 CD2 HIS A 3 37.653 -19.838 -43.062 1.00 72.42 C flip ATOM 35 CE1 HIS A 3 37.932 -21.826 -42.329 1.00 3.34 C flip ATOM 36 NE2 HIS A 3 37.803 -21.098 -43.418 1.00 71.14 N flip ATOM 0 H HIS A 3 38.909 -19.771 -39.334 1.00 41.21 H new ATOM 0 HA HIS A 3 37.202 -17.527 -39.028 1.00 42.43 H new ATOM 0 HB2 HIS A 3 36.816 -17.823 -41.453 1.00 4.24 H new ATOM 0 HB3 HIS A 3 38.522 -17.898 -41.056 1.00 4.24 H new ATOM 0 HD1 HIS A 3 37.936 -21.293 -40.258 1.00 0.24 H new ATOM 0 HD2 HIS A 3 37.523 -19.009 -43.742 1.00 72.42 H new ATOM 0 HE1 HIS A 3 38.069 -22.897 -42.303 1.00 3.34 H new ATOM 45 N HIS A 4 35.724 -20.251 -38.599 1.00 54.54 N ATOM 46 CA HIS A 4 34.432 -20.857 -38.297 1.00 73.21 C ATOM 47 C HIS A 4 34.495 -21.610 -36.977 1.00 30.15 C ATOM 48 O HIS A 4 35.447 -22.355 -36.724 1.00 61.24 O ATOM 49 CB HIS A 4 33.992 -21.806 -39.415 1.00 3.11 C ATOM 50 CG HIS A 4 32.863 -21.274 -40.255 1.00 75.24 C ATOM 51 ND1 HIS A 4 32.177 -22.046 -41.166 1.00 11.22 N ATOM 52 CD2 HIS A 4 32.303 -20.040 -40.325 1.00 45.31 C ATOM 53 CE1 HIS A 4 31.252 -21.314 -41.756 1.00 42.34 C ATOM 54 NE2 HIS A 4 31.305 -20.093 -41.266 1.00 22.04 N ATOM 0 H HIS A 4 36.526 -20.771 -38.243 1.00 54.54 H new ATOM 0 HA HIS A 4 33.698 -20.055 -38.217 1.00 73.21 H new ATOM 0 HB2 HIS A 4 34.846 -22.013 -40.060 1.00 3.11 H new ATOM 0 HB3 HIS A 4 33.688 -22.755 -38.974 1.00 3.11 H new ATOM 0 HD2 HIS A 4 32.590 -19.174 -39.746 1.00 45.31 H new ATOM 0 HE1 HIS A 4 30.565 -21.659 -42.515 1.00 42.34 H new ATOM 0 HE2 HIS A 4 30.704 -19.316 -41.540 1.00 22.04 H new ATOM 63 N HIS A 5 33.491 -21.402 -36.138 1.00 42.10 N ATOM 64 CA HIS A 5 33.404 -22.094 -34.860 1.00 40.00 C ATOM 65 C HIS A 5 31.983 -22.582 -34.623 1.00 54.13 C ATOM 66 O HIS A 5 31.020 -21.976 -35.098 1.00 64.14 O ATOM 67 CB HIS A 5 33.870 -21.197 -33.699 1.00 20.32 C ATOM 68 CG HIS A 5 33.021 -19.976 -33.452 1.00 70.42 C ATOM 69 ND1 HIS A 5 33.405 -18.704 -33.820 1.00 1.22 N ATOM 70 CD2 HIS A 5 31.813 -19.838 -32.851 1.00 2.32 C ATOM 71 CE1 HIS A 5 32.475 -17.842 -33.458 1.00 11.21 C ATOM 72 NE2 HIS A 5 31.499 -18.502 -32.867 1.00 30.10 N ATOM 0 H HIS A 5 32.722 -20.757 -36.320 1.00 42.10 H new ATOM 0 HA HIS A 5 34.072 -22.955 -34.898 1.00 40.00 H new ATOM 0 HB2 HIS A 5 33.895 -21.794 -32.787 1.00 20.32 H new ATOM 0 HB3 HIS A 5 34.892 -20.875 -33.897 1.00 20.32 H new ATOM 0 HD2 HIS A 5 31.210 -20.632 -32.437 1.00 2.32 H new ATOM 0 HE1 HIS A 5 32.508 -16.775 -33.619 1.00 11.21 H new ATOM 0 HE2 HIS A 5 30.649 -18.088 -32.484 1.00 30.10 H new ATOM 81 N HIS A 6 31.858 -23.676 -33.893 1.00 72.01 N ATOM 82 CA HIS A 6 30.555 -24.254 -33.604 1.00 15.42 C ATOM 83 C HIS A 6 29.964 -23.637 -32.343 1.00 41.13 C ATOM 84 O HIS A 6 30.590 -22.786 -31.710 1.00 30.23 O ATOM 85 CB HIS A 6 30.669 -25.775 -33.480 1.00 24.32 C ATOM 86 CG HIS A 6 31.043 -26.431 -34.773 1.00 61.13 C ATOM 87 ND1 HIS A 6 32.345 -26.668 -35.147 1.00 34.12 N ATOM 88 CD2 HIS A 6 30.276 -26.875 -35.796 1.00 60.15 C ATOM 89 CE1 HIS A 6 32.365 -27.230 -36.340 1.00 54.10 C ATOM 90 NE2 HIS A 6 31.121 -27.367 -36.760 1.00 21.24 N ATOM 0 H HIS A 6 32.644 -24.184 -33.488 1.00 72.01 H new ATOM 0 HA HIS A 6 29.878 -24.032 -34.429 1.00 15.42 H new ATOM 0 HB2 HIS A 6 31.415 -26.019 -32.724 1.00 24.32 H new ATOM 0 HB3 HIS A 6 29.718 -26.180 -33.133 1.00 24.32 H new ATOM 0 HD2 HIS A 6 29.197 -26.847 -35.845 1.00 60.15 H new ATOM 0 HE1 HIS A 6 33.250 -27.528 -36.882 1.00 54.10 H new ATOM 0 HE2 HIS A 6 30.835 -27.771 -37.652 1.00 21.24 H new ATOM 99 N HIS A 7 28.757 -24.052 -31.987 1.00 70.03 N ATOM 100 CA HIS A 7 28.031 -23.423 -30.887 1.00 24.30 C ATOM 101 C HIS A 7 27.749 -24.405 -29.757 1.00 12.30 C ATOM 102 O HIS A 7 28.189 -25.556 -29.799 1.00 51.14 O ATOM 103 CB HIS A 7 26.718 -22.817 -31.395 1.00 73.32 C ATOM 104 CG HIS A 7 26.898 -21.532 -32.140 1.00 53.30 C ATOM 105 ND1 HIS A 7 26.347 -20.340 -31.725 1.00 12.40 N ATOM 106 CD2 HIS A 7 27.573 -21.253 -33.280 1.00 3.12 C ATOM 107 CE1 HIS A 7 26.675 -19.387 -32.574 1.00 0.12 C ATOM 108 NE2 HIS A 7 27.419 -19.913 -33.526 1.00 61.04 N ATOM 0 H HIS A 7 28.259 -24.818 -32.440 1.00 70.03 H new ATOM 0 HA HIS A 7 28.665 -22.631 -30.488 1.00 24.30 H new ATOM 0 HB2 HIS A 7 26.223 -23.538 -32.046 1.00 73.32 H new ATOM 0 HB3 HIS A 7 26.055 -22.645 -30.547 1.00 73.32 H new ATOM 0 HD2 HIS A 7 28.129 -21.955 -33.883 1.00 3.12 H new ATOM 0 HE1 HIS A 7 26.383 -18.350 -32.502 1.00 0.12 H new ATOM 0 HE2 HIS A 7 27.816 -19.406 -34.317 1.00 61.04 H new ATOM 117 N HIS A 8 27.025 -23.916 -28.746 1.00 51.20 N ATOM 118 CA HIS A 8 26.650 -24.688 -27.554 1.00 4.03 C ATOM 119 C HIS A 8 27.842 -24.826 -26.607 1.00 11.42 C ATOM 120 O HIS A 8 27.748 -24.471 -25.431 1.00 41.01 O ATOM 121 CB HIS A 8 26.078 -26.069 -27.910 1.00 21.43 C ATOM 122 CG HIS A 8 25.281 -26.689 -26.803 1.00 0.32 C ATOM 123 ND1 HIS A 8 24.689 -27.929 -26.900 1.00 25.20 N ATOM 124 CD2 HIS A 8 24.962 -26.221 -25.574 1.00 60.25 C ATOM 125 CE1 HIS A 8 24.042 -28.192 -25.781 1.00 14.12 C ATOM 126 NE2 HIS A 8 24.192 -27.173 -24.962 1.00 75.14 N ATOM 0 H HIS A 8 26.677 -22.957 -28.731 1.00 51.20 H new ATOM 0 HA HIS A 8 25.859 -24.135 -27.048 1.00 4.03 H new ATOM 0 HB2 HIS A 8 25.446 -25.975 -28.793 1.00 21.43 H new ATOM 0 HB3 HIS A 8 26.898 -26.736 -28.174 1.00 21.43 H new ATOM 0 HD2 HIS A 8 25.260 -25.272 -25.154 1.00 60.25 H new ATOM 0 HE1 HIS A 8 23.483 -29.092 -25.572 1.00 14.12 H new ATOM 0 HE2 HIS A 8 23.798 -27.104 -24.024 1.00 75.14 H new ATOM 135 N SER A 9 28.953 -25.342 -27.110 1.00 75.14 N ATOM 136 CA SER A 9 30.178 -25.384 -26.334 1.00 50.24 C ATOM 137 C SER A 9 30.842 -24.015 -26.396 1.00 43.12 C ATOM 138 O SER A 9 31.649 -23.735 -27.284 1.00 51.24 O ATOM 139 CB SER A 9 31.123 -26.473 -26.853 1.00 33.54 C ATOM 140 OG SER A 9 32.248 -26.631 -26.003 1.00 74.12 O ATOM 0 H SER A 9 29.030 -25.735 -28.048 1.00 75.14 H new ATOM 0 HA SER A 9 29.942 -25.630 -25.299 1.00 50.24 H new ATOM 0 HB2 SER A 9 30.585 -27.418 -26.927 1.00 33.54 H new ATOM 0 HB3 SER A 9 31.458 -26.217 -27.858 1.00 33.54 H new ATOM 0 HG SER A 9 32.831 -27.333 -26.359 1.00 74.12 H new ATOM 146 N HIS A 10 30.450 -23.149 -25.476 1.00 41.13 N ATOM 147 CA HIS A 10 30.907 -21.771 -25.471 1.00 71.30 C ATOM 148 C HIS A 10 31.536 -21.435 -24.124 1.00 3.22 C ATOM 149 O HIS A 10 30.833 -21.217 -23.137 1.00 31.21 O ATOM 150 CB HIS A 10 29.722 -20.841 -25.758 1.00 24.00 C ATOM 151 CG HIS A 10 30.105 -19.430 -26.087 1.00 45.10 C ATOM 152 ND1 HIS A 10 29.885 -18.366 -25.238 1.00 65.11 N ATOM 153 CD2 HIS A 10 30.668 -18.905 -27.201 1.00 61.13 C ATOM 154 CE1 HIS A 10 30.297 -17.254 -25.816 1.00 41.34 C ATOM 155 NE2 HIS A 10 30.775 -17.550 -27.010 1.00 3.31 N ATOM 0 H HIS A 10 29.810 -23.380 -24.716 1.00 41.13 H new ATOM 0 HA HIS A 10 31.661 -21.634 -26.246 1.00 71.30 H new ATOM 0 HB2 HIS A 10 29.147 -21.251 -26.588 1.00 24.00 H new ATOM 0 HB3 HIS A 10 29.064 -20.832 -24.889 1.00 24.00 H new ATOM 0 HD2 HIS A 10 30.976 -19.452 -28.079 1.00 61.13 H new ATOM 0 HE1 HIS A 10 30.251 -16.265 -25.384 1.00 41.34 H new ATOM 0 HE2 HIS A 10 31.160 -16.883 -27.679 1.00 3.31 H new ATOM 164 N MET A 11 32.859 -21.419 -24.086 1.00 41.40 N ATOM 165 CA MET A 11 33.582 -21.131 -22.856 1.00 0.41 C ATOM 166 C MET A 11 33.584 -19.635 -22.575 1.00 70.15 C ATOM 167 O MET A 11 34.131 -18.850 -23.347 1.00 11.43 O ATOM 168 CB MET A 11 35.019 -21.656 -22.936 1.00 51.10 C ATOM 169 CG MET A 11 35.113 -23.171 -23.010 1.00 25.44 C ATOM 170 SD MET A 11 36.819 -23.757 -23.020 1.00 21.41 S ATOM 171 CE MET A 11 37.415 -23.097 -21.463 1.00 1.34 C ATOM 0 H MET A 11 33.455 -21.602 -24.893 1.00 41.40 H new ATOM 0 HA MET A 11 33.073 -21.639 -22.037 1.00 0.41 H new ATOM 0 HB2 MET A 11 35.505 -21.228 -23.813 1.00 51.10 H new ATOM 0 HB3 MET A 11 35.572 -21.309 -22.063 1.00 51.10 H new ATOM 0 HG2 MET A 11 34.588 -23.606 -22.160 1.00 25.44 H new ATOM 0 HG3 MET A 11 34.607 -23.520 -23.910 1.00 25.44 H new ATOM 0 HE1 MET A 11 38.272 -23.680 -21.125 1.00 1.34 H new ATOM 0 HE2 MET A 11 37.714 -22.058 -21.599 1.00 1.34 H new ATOM 0 HE3 MET A 11 36.622 -23.152 -20.717 1.00 1.34 H new ATOM 181 N ALA A 12 32.957 -19.251 -21.477 1.00 54.31 N ATOM 182 CA ALA A 12 32.877 -17.855 -21.093 1.00 40.41 C ATOM 183 C ALA A 12 32.900 -17.716 -19.581 1.00 14.02 C ATOM 184 O ALA A 12 32.771 -18.706 -18.855 1.00 43.20 O ATOM 185 CB ALA A 12 31.620 -17.221 -21.662 1.00 71.21 C ATOM 0 H ALA A 12 32.494 -19.892 -20.833 1.00 54.31 H new ATOM 0 HA ALA A 12 33.744 -17.336 -21.501 1.00 40.41 H new ATOM 0 HB1 ALA A 12 31.574 -16.173 -21.365 1.00 71.21 H new ATOM 0 HB2 ALA A 12 31.638 -17.289 -22.750 1.00 71.21 H new ATOM 0 HB3 ALA A 12 30.744 -17.745 -21.280 1.00 71.21 H new ATOM 191 N GLN A 13 33.077 -16.492 -19.111 1.00 42.43 N ATOM 192 CA GLN A 13 33.052 -16.216 -17.684 1.00 73.33 C ATOM 193 C GLN A 13 31.692 -15.662 -17.276 1.00 61.22 C ATOM 194 O GLN A 13 30.846 -15.374 -18.131 1.00 43.44 O ATOM 195 CB GLN A 13 34.167 -15.242 -17.297 1.00 31.31 C ATOM 196 CG GLN A 13 34.059 -13.886 -17.969 1.00 64.22 C ATOM 197 CD GLN A 13 35.121 -12.917 -17.495 1.00 23.00 C ATOM 198 OE1 GLN A 13 35.583 -12.984 -16.355 1.00 3.23 O ATOM 199 NE2 GLN A 13 35.513 -12.010 -18.367 1.00 54.23 N ATOM 0 H GLN A 13 33.240 -15.673 -19.697 1.00 42.43 H new ATOM 0 HA GLN A 13 33.221 -17.152 -17.151 1.00 73.33 H new ATOM 0 HB2 GLN A 13 34.156 -15.103 -16.216 1.00 31.31 H new ATOM 0 HB3 GLN A 13 35.129 -15.687 -17.551 1.00 31.31 H new ATOM 0 HG2 GLN A 13 34.142 -14.012 -19.049 1.00 64.22 H new ATOM 0 HG3 GLN A 13 33.073 -13.464 -17.772 1.00 64.22 H new ATOM 0 HE21 GLN A 13 35.104 -11.990 -19.301 1.00 54.23 H new ATOM 0 HE22 GLN A 13 36.226 -11.328 -18.108 1.00 54.23 H new ATOM 208 N PHE A 14 31.485 -15.507 -15.977 1.00 72.51 N ATOM 209 CA PHE A 14 30.196 -15.075 -15.451 1.00 22.04 C ATOM 210 C PHE A 14 30.010 -13.568 -15.623 1.00 55.32 C ATOM 211 O PHE A 14 30.952 -12.792 -15.446 1.00 15.33 O ATOM 212 CB PHE A 14 30.067 -15.458 -13.972 1.00 4.31 C ATOM 213 CG PHE A 14 30.240 -16.932 -13.718 1.00 31.42 C ATOM 214 CD1 PHE A 14 29.279 -17.841 -14.131 1.00 54.35 C ATOM 215 CD2 PHE A 14 31.368 -17.406 -13.066 1.00 51.12 C ATOM 216 CE1 PHE A 14 29.441 -19.196 -13.897 1.00 70.01 C ATOM 217 CE2 PHE A 14 31.533 -18.757 -12.830 1.00 75.51 C ATOM 218 CZ PHE A 14 30.569 -19.652 -13.247 1.00 54.20 C ATOM 0 H PHE A 14 32.195 -15.674 -15.264 1.00 72.51 H new ATOM 0 HA PHE A 14 29.414 -15.582 -16.017 1.00 22.04 H new ATOM 0 HB2 PHE A 14 30.811 -14.908 -13.396 1.00 4.31 H new ATOM 0 HB3 PHE A 14 29.088 -15.147 -13.608 1.00 4.31 H new ATOM 0 HD1 PHE A 14 28.394 -17.489 -14.641 1.00 54.35 H new ATOM 0 HD2 PHE A 14 32.127 -16.711 -12.739 1.00 51.12 H new ATOM 0 HE1 PHE A 14 28.685 -19.895 -14.223 1.00 70.01 H new ATOM 0 HE2 PHE A 14 32.416 -19.113 -12.319 1.00 75.51 H new ATOM 0 HZ PHE A 14 30.698 -20.709 -13.065 1.00 54.20 H new ATOM 228 N PRO A 15 28.798 -13.142 -16.010 1.00 14.42 N ATOM 229 CA PRO A 15 28.458 -11.726 -16.139 1.00 71.42 C ATOM 230 C PRO A 15 28.363 -11.036 -14.780 1.00 54.33 C ATOM 231 O PRO A 15 27.856 -11.606 -13.813 1.00 2.33 O ATOM 232 CB PRO A 15 27.087 -11.730 -16.836 1.00 44.15 C ATOM 233 CG PRO A 15 26.881 -13.134 -17.305 1.00 63.51 C ATOM 234 CD PRO A 15 27.665 -14.002 -16.365 1.00 42.42 C ATOM 0 HA PRO A 15 29.220 -11.178 -16.693 1.00 71.42 H new ATOM 0 HB2 PRO A 15 26.297 -11.426 -16.149 1.00 44.15 H new ATOM 0 HB3 PRO A 15 27.070 -11.031 -17.672 1.00 44.15 H new ATOM 0 HG2 PRO A 15 25.824 -13.399 -17.291 1.00 63.51 H new ATOM 0 HG3 PRO A 15 27.227 -13.258 -18.331 1.00 63.51 H new ATOM 0 HD2 PRO A 15 27.080 -14.284 -15.490 1.00 42.42 H new ATOM 0 HD3 PRO A 15 27.991 -14.926 -16.842 1.00 42.42 H new ATOM 242 N THR A 16 28.855 -9.811 -14.717 1.00 72.24 N ATOM 243 CA THR A 16 28.857 -9.043 -13.484 1.00 63.20 C ATOM 244 C THR A 16 27.699 -8.041 -13.470 1.00 21.33 C ATOM 245 O THR A 16 27.034 -7.855 -14.493 1.00 33.33 O ATOM 246 CB THR A 16 30.202 -8.309 -13.321 1.00 23.21 C ATOM 247 OG1 THR A 16 30.556 -7.652 -14.547 1.00 24.25 O ATOM 248 CG2 THR A 16 31.300 -9.281 -12.920 1.00 14.51 C ATOM 0 H THR A 16 29.262 -9.323 -15.514 1.00 72.24 H new ATOM 0 HA THR A 16 28.726 -9.729 -12.647 1.00 63.20 H new ATOM 0 HB THR A 16 30.093 -7.564 -12.533 1.00 23.21 H new ATOM 0 HG1 THR A 16 29.835 -7.044 -14.812 1.00 24.25 H new ATOM 0 HG21 THR A 16 32.241 -8.742 -12.810 1.00 14.51 H new ATOM 0 HG22 THR A 16 31.040 -9.753 -11.973 1.00 14.51 H new ATOM 0 HG23 THR A 16 31.408 -10.046 -13.689 1.00 14.51 H new ATOM 256 N PRO A 17 27.426 -7.404 -12.312 1.00 15.32 N ATOM 257 CA PRO A 17 26.353 -6.404 -12.177 1.00 12.21 C ATOM 258 C PRO A 17 26.426 -5.293 -13.222 1.00 3.44 C ATOM 259 O PRO A 17 27.348 -4.476 -13.220 1.00 35.32 O ATOM 260 CB PRO A 17 26.576 -5.829 -10.777 1.00 15.41 C ATOM 261 CG PRO A 17 27.259 -6.916 -10.026 1.00 72.22 C ATOM 262 CD PRO A 17 28.126 -7.625 -11.029 1.00 24.35 C ATOM 0 HA PRO A 17 25.372 -6.856 -12.325 1.00 12.21 H new ATOM 0 HB2 PRO A 17 27.188 -4.927 -10.812 1.00 15.41 H new ATOM 0 HB3 PRO A 17 25.632 -5.555 -10.306 1.00 15.41 H new ATOM 0 HG2 PRO A 17 27.857 -6.511 -9.209 1.00 72.22 H new ATOM 0 HG3 PRO A 17 26.535 -7.600 -9.583 1.00 72.22 H new ATOM 0 HD2 PRO A 17 29.136 -7.215 -11.047 1.00 24.35 H new ATOM 0 HD3 PRO A 17 28.218 -8.687 -10.800 1.00 24.35 H new ATOM 270 N PHE A 18 25.448 -5.280 -14.119 1.00 62.22 N ATOM 271 CA PHE A 18 25.368 -4.273 -15.171 1.00 24.44 C ATOM 272 C PHE A 18 23.938 -3.762 -15.316 1.00 72.13 C ATOM 273 O PHE A 18 23.569 -3.208 -16.351 1.00 24.51 O ATOM 274 CB PHE A 18 25.854 -4.851 -16.505 1.00 41.42 C ATOM 275 CG PHE A 18 27.325 -4.656 -16.763 1.00 72.31 C ATOM 276 CD1 PHE A 18 28.275 -5.385 -16.069 1.00 23.20 C ATOM 277 CD2 PHE A 18 27.752 -3.740 -17.710 1.00 2.55 C ATOM 278 CE1 PHE A 18 29.623 -5.207 -16.315 1.00 64.30 C ATOM 279 CE2 PHE A 18 29.100 -3.558 -17.960 1.00 53.23 C ATOM 280 CZ PHE A 18 30.036 -4.291 -17.260 1.00 55.41 C ATOM 0 H PHE A 18 24.691 -5.963 -14.139 1.00 62.22 H new ATOM 0 HA PHE A 18 26.012 -3.439 -14.893 1.00 24.44 H new ATOM 0 HB2 PHE A 18 25.631 -5.918 -16.529 1.00 41.42 H new ATOM 0 HB3 PHE A 18 25.290 -4.389 -17.315 1.00 41.42 H new ATOM 0 HD1 PHE A 18 27.959 -6.102 -15.326 1.00 23.20 H new ATOM 0 HD2 PHE A 18 27.024 -3.161 -18.259 1.00 2.55 H new ATOM 0 HE1 PHE A 18 30.353 -5.785 -15.768 1.00 64.30 H new ATOM 0 HE2 PHE A 18 29.420 -2.842 -18.703 1.00 53.23 H new ATOM 0 HZ PHE A 18 31.089 -4.148 -17.451 1.00 55.41 H new ATOM 290 N GLY A 19 23.145 -3.939 -14.268 1.00 44.43 N ATOM 291 CA GLY A 19 21.760 -3.507 -14.304 1.00 44.54 C ATOM 292 C GLY A 19 21.588 -2.076 -13.835 1.00 1.02 C ATOM 293 O GLY A 19 22.310 -1.184 -14.276 1.00 11.01 O ATOM 0 H GLY A 19 23.435 -4.374 -13.392 1.00 44.43 H new ATOM 0 HA2 GLY A 19 21.379 -3.601 -15.321 1.00 44.54 H new ATOM 0 HA3 GLY A 19 21.160 -4.167 -13.677 1.00 44.54 H new ATOM 297 N GLY A 20 20.640 -1.858 -12.935 1.00 64.13 N ATOM 298 CA GLY A 20 20.392 -0.522 -12.427 1.00 63.40 C ATOM 299 C GLY A 20 18.975 -0.055 -12.691 1.00 75.23 C ATOM 300 O GLY A 20 18.710 0.620 -13.683 1.00 10.03 O ATOM 0 H GLY A 20 20.037 -2.583 -12.546 1.00 64.13 H new ATOM 0 HA2 GLY A 20 20.583 -0.503 -11.354 1.00 63.40 H new ATOM 0 HA3 GLY A 20 21.093 0.174 -12.888 1.00 63.40 H new ATOM 304 N SER A 21 18.061 -0.422 -11.807 1.00 74.30 N ATOM 305 CA SER A 21 16.669 -0.021 -11.935 1.00 10.11 C ATOM 306 C SER A 21 16.419 1.303 -11.215 1.00 65.20 C ATOM 307 O SER A 21 16.524 1.389 -9.990 1.00 61.14 O ATOM 308 CB SER A 21 15.758 -1.123 -11.386 1.00 60.41 C ATOM 309 OG SER A 21 16.231 -1.605 -10.135 1.00 34.30 O ATOM 0 H SER A 21 18.259 -0.999 -10.990 1.00 74.30 H new ATOM 0 HA SER A 21 16.440 0.127 -12.990 1.00 10.11 H new ATOM 0 HB2 SER A 21 14.745 -0.737 -11.271 1.00 60.41 H new ATOM 0 HB3 SER A 21 15.707 -1.945 -12.100 1.00 60.41 H new ATOM 0 HG SER A 21 16.518 -0.850 -9.581 1.00 34.30 H new ATOM 315 N LEU A 22 16.106 2.338 -11.984 1.00 43.23 N ATOM 316 CA LEU A 22 15.866 3.664 -11.426 1.00 23.40 C ATOM 317 C LEU A 22 14.373 3.948 -11.297 1.00 64.40 C ATOM 318 O LEU A 22 13.961 4.882 -10.613 1.00 74.21 O ATOM 319 CB LEU A 22 16.517 4.727 -12.312 1.00 13.02 C ATOM 320 CG LEU A 22 18.033 4.599 -12.480 1.00 35.33 C ATOM 321 CD1 LEU A 22 18.552 5.662 -13.436 1.00 64.54 C ATOM 322 CD2 LEU A 22 18.733 4.708 -11.134 1.00 14.15 C ATOM 0 H LEU A 22 16.012 2.285 -12.998 1.00 43.23 H new ATOM 0 HA LEU A 22 16.307 3.696 -10.430 1.00 23.40 H new ATOM 0 HB2 LEU A 22 16.054 4.688 -13.298 1.00 13.02 H new ATOM 0 HB3 LEU A 22 16.296 5.709 -11.895 1.00 13.02 H new ATOM 0 HG LEU A 22 18.250 3.617 -12.901 1.00 35.33 H new ATOM 0 HD11 LEU A 22 19.632 5.558 -13.545 1.00 64.54 H new ATOM 0 HD12 LEU A 22 18.076 5.540 -14.409 1.00 64.54 H new ATOM 0 HD13 LEU A 22 18.321 6.651 -13.040 1.00 64.54 H new ATOM 0 HD21 LEU A 22 19.810 4.614 -11.275 1.00 14.15 H new ATOM 0 HD22 LEU A 22 18.509 5.675 -10.684 1.00 14.15 H new ATOM 0 HD23 LEU A 22 18.383 3.912 -10.476 1.00 14.15 H new ATOM 334 N ASP A 23 13.568 3.115 -11.940 1.00 42.44 N ATOM 335 CA ASP A 23 12.117 3.310 -11.995 1.00 74.42 C ATOM 336 C ASP A 23 11.442 2.847 -10.703 1.00 45.22 C ATOM 337 O ASP A 23 10.227 2.679 -10.651 1.00 52.13 O ATOM 338 CB ASP A 23 11.531 2.543 -13.186 1.00 34.21 C ATOM 339 CG ASP A 23 12.241 2.849 -14.492 1.00 72.43 C ATOM 340 OD1 ASP A 23 13.240 2.162 -14.805 1.00 53.14 O ATOM 341 OD2 ASP A 23 11.811 3.768 -15.216 1.00 70.04 O ATOM 0 H ASP A 23 13.895 2.287 -12.438 1.00 42.44 H new ATOM 0 HA ASP A 23 11.927 4.377 -12.115 1.00 74.42 H new ATOM 0 HB2 ASP A 23 11.591 1.473 -12.988 1.00 34.21 H new ATOM 0 HB3 ASP A 23 10.474 2.790 -13.286 1.00 34.21 H new ATOM 346 N THR A 24 12.235 2.667 -9.658 1.00 61.53 N ATOM 347 CA THR A 24 11.743 2.161 -8.384 1.00 24.12 C ATOM 348 C THR A 24 10.707 3.097 -7.754 1.00 23.42 C ATOM 349 O THR A 24 9.769 2.646 -7.095 1.00 43.35 O ATOM 350 CB THR A 24 12.914 1.968 -7.410 1.00 2.51 C ATOM 351 OG1 THR A 24 13.982 1.298 -8.088 1.00 15.55 O ATOM 352 CG2 THR A 24 12.490 1.153 -6.196 1.00 32.00 C ATOM 0 H THR A 24 13.235 2.867 -9.668 1.00 61.53 H new ATOM 0 HA THR A 24 11.256 1.206 -8.580 1.00 24.12 H new ATOM 0 HB THR A 24 13.243 2.948 -7.063 1.00 2.51 H new ATOM 0 HG1 THR A 24 14.734 1.173 -7.472 1.00 15.55 H new ATOM 0 HG21 THR A 24 13.340 1.032 -5.524 1.00 32.00 H new ATOM 0 HG22 THR A 24 11.685 1.670 -5.674 1.00 32.00 H new ATOM 0 HG23 THR A 24 12.142 0.172 -6.520 1.00 32.00 H new ATOM 360 N TRP A 25 10.871 4.399 -7.964 1.00 24.34 N ATOM 361 CA TRP A 25 9.947 5.380 -7.401 1.00 65.41 C ATOM 362 C TRP A 25 8.805 5.687 -8.360 1.00 50.44 C ATOM 363 O TRP A 25 8.012 6.603 -8.144 1.00 4.43 O ATOM 364 CB TRP A 25 10.677 6.661 -7.030 1.00 64.01 C ATOM 365 CG TRP A 25 11.269 6.618 -5.652 1.00 4.34 C ATOM 366 CD1 TRP A 25 12.593 6.638 -5.319 1.00 42.53 C ATOM 367 CD2 TRP A 25 10.546 6.526 -4.419 1.00 44.34 C ATOM 368 NE1 TRP A 25 12.736 6.574 -3.952 1.00 52.11 N ATOM 369 CE2 TRP A 25 11.493 6.503 -3.377 1.00 3.21 C ATOM 370 CE3 TRP A 25 9.188 6.463 -4.093 1.00 43.25 C ATOM 371 CZ2 TRP A 25 11.125 6.422 -2.035 1.00 53.01 C ATOM 372 CZ3 TRP A 25 8.824 6.380 -2.762 1.00 41.20 C ATOM 373 CH2 TRP A 25 9.789 6.359 -1.748 1.00 53.44 C ATOM 0 H TRP A 25 11.630 4.799 -8.516 1.00 24.34 H new ATOM 0 HA TRP A 25 9.522 4.943 -6.497 1.00 65.41 H new ATOM 0 HB2 TRP A 25 11.470 6.844 -7.755 1.00 64.01 H new ATOM 0 HB3 TRP A 25 9.984 7.500 -7.096 1.00 64.01 H new ATOM 0 HD1 TRP A 25 13.408 6.696 -6.025 1.00 42.53 H new ATOM 0 HE1 TRP A 25 13.623 6.579 -3.448 1.00 52.11 H new ATOM 0 HE3 TRP A 25 8.436 6.479 -4.868 1.00 43.25 H new ATOM 0 HZ2 TRP A 25 11.867 6.409 -1.251 1.00 53.01 H new ATOM 0 HZ3 TRP A 25 7.777 6.331 -2.500 1.00 41.20 H new ATOM 0 HH2 TRP A 25 9.472 6.292 -0.718 1.00 53.44 H new ATOM 384 N ALA A 26 8.740 4.911 -9.417 1.00 12.24 N ATOM 385 CA ALA A 26 7.650 4.993 -10.372 1.00 24.54 C ATOM 386 C ALA A 26 6.762 3.764 -10.241 1.00 31.11 C ATOM 387 O ALA A 26 6.886 3.003 -9.281 1.00 21.34 O ATOM 388 CB ALA A 26 8.201 5.106 -11.785 1.00 13.14 C ATOM 0 H ALA A 26 9.439 4.204 -9.643 1.00 12.24 H new ATOM 0 HA ALA A 26 7.054 5.882 -10.164 1.00 24.54 H new ATOM 0 HB1 ALA A 26 7.375 5.167 -12.494 1.00 13.14 H new ATOM 0 HB2 ALA A 26 8.815 6.003 -11.865 1.00 13.14 H new ATOM 0 HB3 ALA A 26 8.808 4.229 -12.010 1.00 13.14 H new ATOM 394 N ILE A 27 5.845 3.593 -11.178 1.00 12.34 N ATOM 395 CA ILE A 27 5.060 2.375 -11.256 1.00 33.43 C ATOM 396 C ILE A 27 5.122 1.817 -12.668 1.00 13.42 C ATOM 397 O ILE A 27 4.412 2.267 -13.571 1.00 2.45 O ATOM 398 CB ILE A 27 3.590 2.583 -10.822 1.00 15.34 C ATOM 399 CG1 ILE A 27 3.523 2.928 -9.329 1.00 72.41 C ATOM 400 CG2 ILE A 27 2.758 1.333 -11.110 1.00 71.22 C ATOM 401 CD1 ILE A 27 2.121 3.189 -8.820 1.00 13.04 C ATOM 0 H ILE A 27 5.626 4.284 -11.896 1.00 12.34 H new ATOM 0 HA ILE A 27 5.494 1.661 -10.556 1.00 33.43 H new ATOM 0 HB ILE A 27 3.177 3.412 -11.397 1.00 15.34 H new ATOM 0 HG12 ILE A 27 3.960 2.109 -8.757 1.00 72.41 H new ATOM 0 HG13 ILE A 27 4.136 3.809 -9.142 1.00 72.41 H new ATOM 0 HG21 ILE A 27 1.728 1.502 -10.797 1.00 71.22 H new ATOM 0 HG22 ILE A 27 2.782 1.118 -12.178 1.00 71.22 H new ATOM 0 HG23 ILE A 27 3.170 0.487 -10.560 1.00 71.22 H new ATOM 0 HD11 ILE A 27 2.158 3.426 -7.757 1.00 13.04 H new ATOM 0 HD12 ILE A 27 1.687 4.028 -9.364 1.00 13.04 H new ATOM 0 HD13 ILE A 27 1.507 2.301 -8.973 1.00 13.04 H new ATOM 413 N THR A 28 6.016 0.866 -12.847 1.00 23.44 N ATOM 414 CA THR A 28 6.196 0.190 -14.120 1.00 44.23 C ATOM 415 C THR A 28 4.938 -0.617 -14.462 1.00 30.32 C ATOM 416 O THR A 28 4.157 -0.948 -13.568 1.00 72.13 O ATOM 417 CB THR A 28 7.417 -0.748 -14.035 1.00 10.42 C ATOM 418 OG1 THR A 28 8.488 -0.080 -13.353 1.00 42.34 O ATOM 419 CG2 THR A 28 7.886 -1.179 -15.420 1.00 63.23 C ATOM 0 H THR A 28 6.642 0.537 -12.112 1.00 23.44 H new ATOM 0 HA THR A 28 6.365 0.929 -14.903 1.00 44.23 H new ATOM 0 HB THR A 28 7.121 -1.641 -13.484 1.00 10.42 H new ATOM 0 HG1 THR A 28 8.348 -0.141 -12.385 1.00 42.34 H new ATOM 0 HG21 THR A 28 8.748 -1.839 -15.323 1.00 63.23 H new ATOM 0 HG22 THR A 28 7.080 -1.707 -15.929 1.00 63.23 H new ATOM 0 HG23 THR A 28 8.166 -0.299 -15.999 1.00 63.23 H new ATOM 427 N VAL A 29 4.728 -0.931 -15.742 1.00 61.11 N ATOM 428 CA VAL A 29 3.570 -1.731 -16.140 1.00 64.22 C ATOM 429 C VAL A 29 3.596 -3.086 -15.434 1.00 15.42 C ATOM 430 O VAL A 29 2.551 -3.665 -15.135 1.00 32.44 O ATOM 431 CB VAL A 29 3.499 -1.924 -17.675 1.00 53.23 C ATOM 432 CG1 VAL A 29 4.585 -2.867 -18.170 1.00 63.31 C ATOM 433 CG2 VAL A 29 2.120 -2.411 -18.092 1.00 42.32 C ATOM 0 H VAL A 29 5.336 -0.648 -16.511 1.00 61.11 H new ATOM 0 HA VAL A 29 2.675 -1.186 -15.839 1.00 64.22 H new ATOM 0 HB VAL A 29 3.674 -0.954 -18.141 1.00 53.23 H new ATOM 0 HG11 VAL A 29 4.505 -2.979 -19.251 1.00 63.31 H new ATOM 0 HG12 VAL A 29 5.564 -2.458 -17.919 1.00 63.31 H new ATOM 0 HG13 VAL A 29 4.466 -3.841 -17.695 1.00 63.31 H new ATOM 0 HG21 VAL A 29 2.092 -2.540 -19.174 1.00 42.32 H new ATOM 0 HG22 VAL A 29 1.909 -3.364 -17.607 1.00 42.32 H new ATOM 0 HG23 VAL A 29 1.370 -1.678 -17.794 1.00 42.32 H new ATOM 443 N GLU A 30 4.798 -3.571 -15.145 1.00 5.31 N ATOM 444 CA GLU A 30 4.964 -4.793 -14.372 1.00 31.11 C ATOM 445 C GLU A 30 4.436 -4.595 -12.955 1.00 34.42 C ATOM 446 O GLU A 30 3.690 -5.423 -12.443 1.00 61.13 O ATOM 447 CB GLU A 30 6.438 -5.201 -14.335 1.00 31.32 C ATOM 448 CG GLU A 30 6.690 -6.502 -13.591 1.00 65.45 C ATOM 449 CD GLU A 30 8.153 -6.890 -13.567 1.00 71.53 C ATOM 450 OE1 GLU A 30 8.637 -7.455 -14.570 1.00 20.30 O ATOM 451 OE2 GLU A 30 8.827 -6.632 -12.544 1.00 22.42 O ATOM 0 H GLU A 30 5.673 -3.135 -15.436 1.00 5.31 H new ATOM 0 HA GLU A 30 4.394 -5.589 -14.850 1.00 31.11 H new ATOM 0 HB2 GLU A 30 6.805 -5.299 -15.357 1.00 31.32 H new ATOM 0 HB3 GLU A 30 7.015 -4.405 -13.864 1.00 31.32 H new ATOM 0 HG2 GLU A 30 6.327 -6.406 -12.568 1.00 65.45 H new ATOM 0 HG3 GLU A 30 6.115 -7.300 -14.059 1.00 65.45 H new ATOM 458 N GLU A 31 4.811 -3.483 -12.336 1.00 51.33 N ATOM 459 CA GLU A 31 4.340 -3.152 -10.993 1.00 4.35 C ATOM 460 C GLU A 31 2.841 -2.882 -11.012 1.00 1.45 C ATOM 461 O GLU A 31 2.130 -3.185 -10.056 1.00 34.23 O ATOM 462 CB GLU A 31 5.091 -1.935 -10.449 1.00 64.44 C ATOM 463 CG GLU A 31 6.589 -2.152 -10.337 1.00 73.32 C ATOM 464 CD GLU A 31 7.315 -0.911 -9.880 1.00 53.32 C ATOM 465 OE1 GLU A 31 7.564 -0.030 -10.726 1.00 65.45 O ATOM 466 OE2 GLU A 31 7.632 -0.811 -8.673 1.00 61.21 O ATOM 0 H GLU A 31 5.442 -2.792 -12.742 1.00 51.33 H new ATOM 0 HA GLU A 31 4.534 -4.001 -10.338 1.00 4.35 H new ATOM 0 HB2 GLU A 31 4.903 -1.081 -11.099 1.00 64.44 H new ATOM 0 HB3 GLU A 31 4.694 -1.681 -9.466 1.00 64.44 H new ATOM 0 HG2 GLU A 31 6.785 -2.964 -9.636 1.00 73.32 H new ATOM 0 HG3 GLU A 31 6.982 -2.465 -11.305 1.00 73.32 H new ATOM 473 N ARG A 32 2.363 -2.328 -12.115 1.00 71.33 N ATOM 474 CA ARG A 32 0.947 -2.064 -12.285 1.00 32.14 C ATOM 475 C ARG A 32 0.173 -3.377 -12.350 1.00 4.52 C ATOM 476 O ARG A 32 -0.914 -3.495 -11.792 1.00 61.32 O ATOM 477 CB ARG A 32 0.710 -1.231 -13.546 1.00 21.12 C ATOM 478 CG ARG A 32 -0.673 -0.603 -13.599 1.00 14.31 C ATOM 479 CD ARG A 32 -0.797 0.383 -14.747 1.00 24.02 C ATOM 480 NE ARG A 32 -1.916 1.305 -14.553 1.00 61.52 N ATOM 481 CZ ARG A 32 -1.849 2.614 -14.795 1.00 32.31 C ATOM 482 NH1 ARG A 32 -0.746 3.137 -15.320 1.00 3.55 N ATOM 483 NH2 ARG A 32 -2.894 3.394 -14.544 1.00 53.10 N ATOM 0 H ARG A 32 2.941 -2.052 -12.909 1.00 71.33 H new ATOM 0 HA ARG A 32 0.588 -1.494 -11.428 1.00 32.14 H new ATOM 0 HB2 ARG A 32 1.462 -0.443 -13.600 1.00 21.12 H new ATOM 0 HB3 ARG A 32 0.848 -1.864 -14.423 1.00 21.12 H new ATOM 0 HG2 ARG A 32 -1.424 -1.385 -13.708 1.00 14.31 H new ATOM 0 HG3 ARG A 32 -0.878 -0.093 -12.658 1.00 14.31 H new ATOM 0 HD2 ARG A 32 0.129 0.950 -14.841 1.00 24.02 H new ATOM 0 HD3 ARG A 32 -0.933 -0.162 -15.681 1.00 24.02 H new ATOM 0 HE ARG A 32 -2.799 0.924 -14.213 1.00 61.52 H new ATOM 0 HH11 ARG A 32 0.049 2.537 -15.538 1.00 3.55 H new ATOM 0 HH12 ARG A 32 -0.695 4.139 -15.505 1.00 3.55 H new ATOM 0 HH21 ARG A 32 -3.751 2.992 -14.165 1.00 53.10 H new ATOM 0 HH22 ARG A 32 -2.839 4.395 -14.730 1.00 53.10 H new ATOM 497 N ALA A 33 0.750 -4.368 -13.015 1.00 31.10 N ATOM 498 CA ALA A 33 0.159 -5.701 -13.064 1.00 73.12 C ATOM 499 C ALA A 33 0.382 -6.441 -11.747 1.00 33.00 C ATOM 500 O ALA A 33 -0.400 -7.313 -11.366 1.00 53.31 O ATOM 501 CB ALA A 33 0.743 -6.498 -14.223 1.00 73.53 C ATOM 0 H ALA A 33 1.627 -4.276 -13.528 1.00 31.10 H new ATOM 0 HA ALA A 33 -0.914 -5.593 -13.219 1.00 73.12 H new ATOM 0 HB1 ALA A 33 0.292 -7.490 -14.246 1.00 73.53 H new ATOM 0 HB2 ALA A 33 0.534 -5.983 -15.161 1.00 73.53 H new ATOM 0 HB3 ALA A 33 1.821 -6.592 -14.093 1.00 73.53 H new ATOM 507 N LYS A 34 1.444 -6.058 -11.047 1.00 62.35 N ATOM 508 CA LYS A 34 1.837 -6.684 -9.788 1.00 64.04 C ATOM 509 C LYS A 34 0.727 -6.549 -8.742 1.00 23.41 C ATOM 510 O LYS A 34 0.611 -7.388 -7.848 1.00 54.53 O ATOM 511 CB LYS A 34 3.134 -6.029 -9.285 1.00 53.30 C ATOM 512 CG LYS A 34 4.035 -6.908 -8.419 1.00 32.01 C ATOM 513 CD LYS A 34 3.450 -7.165 -7.039 1.00 34.43 C ATOM 514 CE LYS A 34 4.513 -7.612 -6.046 1.00 61.12 C ATOM 515 NZ LYS A 34 5.278 -8.796 -6.521 1.00 33.32 N ATOM 0 H LYS A 34 2.061 -5.300 -11.338 1.00 62.35 H new ATOM 0 HA LYS A 34 2.007 -7.748 -9.955 1.00 64.04 H new ATOM 0 HB2 LYS A 34 3.708 -5.695 -10.149 1.00 53.30 H new ATOM 0 HB3 LYS A 34 2.870 -5.139 -8.714 1.00 53.30 H new ATOM 0 HG2 LYS A 34 4.200 -7.860 -8.923 1.00 32.01 H new ATOM 0 HG3 LYS A 34 5.009 -6.431 -8.313 1.00 32.01 H new ATOM 0 HD2 LYS A 34 2.970 -6.257 -6.673 1.00 34.43 H new ATOM 0 HD3 LYS A 34 2.675 -7.928 -7.110 1.00 34.43 H new ATOM 0 HE2 LYS A 34 5.203 -6.788 -5.862 1.00 61.12 H new ATOM 0 HE3 LYS A 34 4.039 -7.849 -5.094 1.00 61.12 H new ATOM 0 HZ1 LYS A 34 5.720 -9.273 -5.709 1.00 33.32 H new ATOM 0 HZ2 LYS A 34 4.633 -9.456 -7.001 1.00 33.32 H new ATOM 0 HZ3 LYS A 34 6.017 -8.488 -7.185 1.00 33.32 H new ATOM 529 N HIS A 35 -0.105 -5.506 -8.865 1.00 54.32 N ATOM 530 CA HIS A 35 -1.168 -5.271 -7.884 1.00 4.23 C ATOM 531 C HIS A 35 -2.087 -6.481 -7.818 1.00 73.22 C ATOM 532 O HIS A 35 -2.599 -6.824 -6.762 1.00 53.42 O ATOM 533 CB HIS A 35 -1.987 -3.998 -8.204 1.00 24.22 C ATOM 534 CG HIS A 35 -3.160 -4.189 -9.135 1.00 65.53 C ATOM 535 ND1 HIS A 35 -3.088 -4.041 -10.502 1.00 12.42 N ATOM 536 CD2 HIS A 35 -4.454 -4.504 -8.866 1.00 64.43 C ATOM 537 CE1 HIS A 35 -4.278 -4.259 -11.033 1.00 65.21 C ATOM 538 NE2 HIS A 35 -5.122 -4.543 -10.062 1.00 3.24 N ATOM 0 H HIS A 35 -0.063 -4.823 -9.621 1.00 54.32 H new ATOM 0 HA HIS A 35 -0.693 -5.116 -6.915 1.00 4.23 H new ATOM 0 HB2 HIS A 35 -2.355 -3.580 -7.267 1.00 24.22 H new ATOM 0 HB3 HIS A 35 -1.317 -3.258 -8.641 1.00 24.22 H new ATOM 0 HD1 HIS A 35 -2.246 -3.800 -11.024 1.00 12.42 H new ATOM 0 HD2 HIS A 35 -4.878 -4.689 -7.890 1.00 64.43 H new ATOM 0 HE1 HIS A 35 -4.518 -4.212 -12.085 1.00 65.21 H new ATOM 547 N ASP A 36 -2.276 -7.121 -8.965 1.00 43.41 N ATOM 548 CA ASP A 36 -3.127 -8.299 -9.066 1.00 43.24 C ATOM 549 C ASP A 36 -2.543 -9.441 -8.252 1.00 4.51 C ATOM 550 O ASP A 36 -3.238 -10.064 -7.455 1.00 20.31 O ATOM 551 CB ASP A 36 -3.279 -8.722 -10.528 1.00 41.04 C ATOM 552 CG ASP A 36 -4.200 -9.911 -10.692 1.00 52.02 C ATOM 553 OD1 ASP A 36 -5.425 -9.741 -10.525 1.00 43.31 O ATOM 554 OD2 ASP A 36 -3.709 -11.021 -10.982 1.00 4.33 O ATOM 0 H ASP A 36 -1.846 -6.840 -9.846 1.00 43.41 H new ATOM 0 HA ASP A 36 -4.111 -8.050 -8.669 1.00 43.24 H new ATOM 0 HB2 ASP A 36 -3.666 -7.884 -11.108 1.00 41.04 H new ATOM 0 HB3 ASP A 36 -2.298 -8.966 -10.936 1.00 41.04 H new ATOM 559 N GLN A 37 -1.253 -9.685 -8.442 1.00 31.31 N ATOM 560 CA GLN A 37 -0.544 -10.731 -7.715 1.00 12.41 C ATOM 561 C GLN A 37 -0.594 -10.481 -6.206 1.00 45.24 C ATOM 562 O GLN A 37 -0.863 -11.394 -5.420 1.00 51.51 O ATOM 563 CB GLN A 37 0.910 -10.785 -8.182 1.00 54.52 C ATOM 564 CG GLN A 37 1.744 -11.852 -7.493 1.00 52.41 C ATOM 565 CD GLN A 37 3.201 -11.792 -7.905 1.00 43.14 C ATOM 566 OE1 GLN A 37 4.005 -11.097 -7.284 1.00 12.11 O ATOM 567 NE2 GLN A 37 3.551 -12.507 -8.961 1.00 21.30 N ATOM 0 H GLN A 37 -0.671 -9.167 -9.100 1.00 31.31 H new ATOM 0 HA GLN A 37 -1.032 -11.684 -7.920 1.00 12.41 H new ATOM 0 HB2 GLN A 37 0.929 -10.963 -9.257 1.00 54.52 H new ATOM 0 HB3 GLN A 37 1.371 -9.812 -8.012 1.00 54.52 H new ATOM 0 HG2 GLN A 37 1.668 -11.729 -6.413 1.00 52.41 H new ATOM 0 HG3 GLN A 37 1.341 -12.836 -7.731 1.00 52.41 H new ATOM 0 HE21 GLN A 37 2.855 -13.071 -9.449 1.00 21.30 H new ATOM 0 HE22 GLN A 37 4.517 -12.495 -9.288 1.00 21.30 H new ATOM 576 N GLN A 38 -0.343 -9.239 -5.813 1.00 12.44 N ATOM 577 CA GLN A 38 -0.327 -8.869 -4.404 1.00 52.32 C ATOM 578 C GLN A 38 -1.731 -8.968 -3.808 1.00 24.42 C ATOM 579 O GLN A 38 -1.941 -9.615 -2.781 1.00 75.31 O ATOM 580 CB GLN A 38 0.201 -7.442 -4.237 1.00 32.33 C ATOM 581 CG GLN A 38 0.559 -7.082 -2.803 1.00 54.12 C ATOM 582 CD GLN A 38 1.883 -7.676 -2.369 1.00 53.35 C ATOM 583 OE1 GLN A 38 1.946 -8.802 -1.875 1.00 72.53 O ATOM 584 NE2 GLN A 38 2.954 -6.918 -2.545 1.00 73.12 N ATOM 0 H GLN A 38 -0.147 -8.469 -6.452 1.00 12.44 H new ATOM 0 HA GLN A 38 0.331 -9.560 -3.877 1.00 52.32 H new ATOM 0 HB2 GLN A 38 1.083 -7.316 -4.864 1.00 32.33 H new ATOM 0 HB3 GLN A 38 -0.551 -6.742 -4.600 1.00 32.33 H new ATOM 0 HG2 GLN A 38 0.601 -5.997 -2.704 1.00 54.12 H new ATOM 0 HG3 GLN A 38 -0.229 -7.433 -2.136 1.00 54.12 H new ATOM 0 HE21 GLN A 38 2.860 -5.990 -2.958 1.00 73.12 H new ATOM 0 HE22 GLN A 38 3.873 -7.262 -2.268 1.00 73.12 H new ATOM 593 N PHE A 39 -2.687 -8.345 -4.483 1.00 72.10 N ATOM 594 CA PHE A 39 -4.062 -8.283 -4.006 1.00 41.30 C ATOM 595 C PHE A 39 -4.684 -9.675 -3.950 1.00 55.25 C ATOM 596 O PHE A 39 -5.466 -9.981 -3.053 1.00 74.44 O ATOM 597 CB PHE A 39 -4.883 -7.363 -4.919 1.00 23.31 C ATOM 598 CG PHE A 39 -6.281 -7.098 -4.443 1.00 50.44 C ATOM 599 CD1 PHE A 39 -6.590 -7.146 -3.098 1.00 34.32 C ATOM 600 CD2 PHE A 39 -7.285 -6.794 -5.347 1.00 10.23 C ATOM 601 CE1 PHE A 39 -7.872 -6.899 -2.662 1.00 22.12 C ATOM 602 CE2 PHE A 39 -8.572 -6.543 -4.911 1.00 74.13 C ATOM 603 CZ PHE A 39 -8.864 -6.596 -3.567 1.00 64.12 C ATOM 0 H PHE A 39 -2.533 -7.870 -5.373 1.00 72.10 H new ATOM 0 HA PHE A 39 -4.063 -7.877 -2.994 1.00 41.30 H new ATOM 0 HB2 PHE A 39 -4.361 -6.412 -5.019 1.00 23.31 H new ATOM 0 HB3 PHE A 39 -4.930 -7.807 -5.913 1.00 23.31 H new ATOM 0 HD1 PHE A 39 -5.817 -7.380 -2.380 1.00 34.32 H new ATOM 0 HD2 PHE A 39 -7.060 -6.753 -6.403 1.00 10.23 H new ATOM 0 HE1 PHE A 39 -8.100 -6.943 -1.607 1.00 22.12 H new ATOM 0 HE2 PHE A 39 -9.348 -6.306 -5.624 1.00 74.13 H new ATOM 0 HZ PHE A 39 -9.869 -6.400 -3.223 1.00 64.12 H new ATOM 613 N HIS A 40 -4.318 -10.521 -4.902 1.00 60.34 N ATOM 614 CA HIS A 40 -4.857 -11.875 -4.964 1.00 11.43 C ATOM 615 C HIS A 40 -4.385 -12.685 -3.762 1.00 4.32 C ATOM 616 O HIS A 40 -5.116 -13.523 -3.236 1.00 34.31 O ATOM 617 CB HIS A 40 -4.427 -12.558 -6.268 1.00 3.31 C ATOM 618 CG HIS A 40 -5.119 -13.857 -6.539 1.00 32.13 C ATOM 619 ND1 HIS A 40 -4.456 -14.984 -6.962 1.00 62.23 N ATOM 620 CD2 HIS A 40 -6.428 -14.195 -6.472 1.00 12.20 C ATOM 621 CE1 HIS A 40 -5.324 -15.960 -7.148 1.00 72.44 C ATOM 622 NE2 HIS A 40 -6.531 -15.507 -6.857 1.00 33.32 N ATOM 0 H HIS A 40 -3.652 -10.296 -5.641 1.00 60.34 H new ATOM 0 HA HIS A 40 -5.945 -11.820 -4.942 1.00 11.43 H new ATOM 0 HB2 HIS A 40 -4.615 -11.879 -7.100 1.00 3.31 H new ATOM 0 HB3 HIS A 40 -3.351 -12.732 -6.236 1.00 3.31 H new ATOM 0 HD2 HIS A 40 -7.241 -13.551 -6.171 1.00 12.20 H new ATOM 0 HE1 HIS A 40 -5.088 -16.960 -7.482 1.00 72.44 H new ATOM 0 HE2 HIS A 40 -7.396 -16.045 -6.910 1.00 33.32 H new ATOM 631 N SER A 41 -3.167 -12.411 -3.325 1.00 13.14 N ATOM 632 CA SER A 41 -2.575 -13.122 -2.209 1.00 72.42 C ATOM 633 C SER A 41 -3.151 -12.660 -0.871 1.00 42.11 C ATOM 634 O SER A 41 -2.996 -13.336 0.145 1.00 31.11 O ATOM 635 CB SER A 41 -1.061 -12.934 -2.235 1.00 71.24 C ATOM 636 OG SER A 41 -0.516 -13.378 -3.471 1.00 51.53 O ATOM 0 H SER A 41 -2.566 -11.694 -3.732 1.00 13.14 H new ATOM 0 HA SER A 41 -2.814 -14.180 -2.311 1.00 72.42 H new ATOM 0 HB2 SER A 41 -0.818 -11.882 -2.083 1.00 71.24 H new ATOM 0 HB3 SER A 41 -0.608 -13.488 -1.413 1.00 71.24 H new ATOM 0 HG SER A 41 -0.640 -12.684 -4.151 1.00 51.53 H new ATOM 642 N LEU A 42 -3.789 -11.495 -0.873 1.00 23.42 N ATOM 643 CA LEU A 42 -4.435 -10.961 0.323 1.00 23.13 C ATOM 644 C LEU A 42 -5.721 -11.748 0.613 1.00 2.32 C ATOM 645 O LEU A 42 -6.212 -11.769 1.741 1.00 32.23 O ATOM 646 CB LEU A 42 -4.739 -9.465 0.111 1.00 4.32 C ATOM 647 CG LEU A 42 -4.991 -8.621 1.373 1.00 62.15 C ATOM 648 CD1 LEU A 42 -4.825 -7.145 1.049 1.00 53.53 C ATOM 649 CD2 LEU A 42 -6.383 -8.855 1.936 1.00 64.14 C ATOM 0 H LEU A 42 -3.874 -10.898 -1.695 1.00 23.42 H new ATOM 0 HA LEU A 42 -3.772 -11.064 1.182 1.00 23.13 H new ATOM 0 HB2 LEU A 42 -3.904 -9.023 -0.432 1.00 4.32 H new ATOM 0 HB3 LEU A 42 -5.616 -9.385 -0.532 1.00 4.32 H new ATOM 0 HG LEU A 42 -4.262 -8.925 2.124 1.00 62.15 H new ATOM 0 HD11 LEU A 42 -5.005 -6.553 1.946 1.00 53.53 H new ATOM 0 HD12 LEU A 42 -3.812 -6.963 0.691 1.00 53.53 H new ATOM 0 HD13 LEU A 42 -5.539 -6.859 0.277 1.00 53.53 H new ATOM 0 HD21 LEU A 42 -6.523 -8.242 2.826 1.00 64.14 H new ATOM 0 HD22 LEU A 42 -7.128 -8.585 1.188 1.00 64.14 H new ATOM 0 HD23 LEU A 42 -6.497 -9.907 2.198 1.00 64.14 H new ATOM 661 N LYS A 43 -6.217 -12.431 -0.420 1.00 71.33 N ATOM 662 CA LYS A 43 -7.522 -13.095 -0.387 1.00 41.44 C ATOM 663 C LYS A 43 -8.637 -12.064 -0.247 1.00 53.51 C ATOM 664 O LYS A 43 -9.189 -11.870 0.838 1.00 0.25 O ATOM 665 CB LYS A 43 -7.640 -14.147 0.732 1.00 41.34 C ATOM 666 CG LYS A 43 -6.828 -15.415 0.508 1.00 35.24 C ATOM 667 CD LYS A 43 -5.360 -15.215 0.839 1.00 22.03 C ATOM 668 CE LYS A 43 -4.570 -16.508 0.699 1.00 35.44 C ATOM 669 NZ LYS A 43 -5.115 -17.582 1.570 1.00 75.10 N ATOM 0 H LYS A 43 -5.724 -12.540 -1.306 1.00 71.33 H new ATOM 0 HA LYS A 43 -7.621 -13.626 -1.334 1.00 41.44 H new ATOM 0 HB2 LYS A 43 -7.326 -13.693 1.672 1.00 41.34 H new ATOM 0 HB3 LYS A 43 -8.689 -14.420 0.845 1.00 41.34 H new ATOM 0 HG2 LYS A 43 -7.232 -16.218 1.124 1.00 35.24 H new ATOM 0 HG3 LYS A 43 -6.926 -15.730 -0.531 1.00 35.24 H new ATOM 0 HD2 LYS A 43 -4.938 -14.457 0.179 1.00 22.03 H new ATOM 0 HD3 LYS A 43 -5.265 -14.839 1.858 1.00 22.03 H new ATOM 0 HE2 LYS A 43 -4.591 -16.836 -0.340 1.00 35.44 H new ATOM 0 HE3 LYS A 43 -3.526 -16.326 0.955 1.00 35.44 H new ATOM 0 HZ1 LYS A 43 -4.330 -18.099 2.016 1.00 75.10 H new ATOM 0 HZ2 LYS A 43 -5.715 -17.160 2.307 1.00 75.10 H new ATOM 0 HZ3 LYS A 43 -5.681 -18.240 0.997 1.00 75.10 H new ATOM 683 N PRO A 44 -8.948 -11.352 -1.342 1.00 22.05 N ATOM 684 CA PRO A 44 -10.031 -10.370 -1.359 1.00 53.00 C ATOM 685 C PRO A 44 -11.366 -11.001 -0.983 1.00 74.24 C ATOM 686 O PRO A 44 -11.700 -12.093 -1.454 1.00 25.34 O ATOM 687 CB PRO A 44 -10.061 -9.859 -2.804 1.00 44.10 C ATOM 688 CG PRO A 44 -9.224 -10.808 -3.594 1.00 12.42 C ATOM 689 CD PRO A 44 -8.255 -11.442 -2.635 1.00 65.32 C ATOM 0 HA PRO A 44 -9.867 -9.573 -0.634 1.00 53.00 H new ATOM 0 HB2 PRO A 44 -11.082 -9.828 -3.186 1.00 44.10 H new ATOM 0 HB3 PRO A 44 -9.666 -8.845 -2.867 1.00 44.10 H new ATOM 0 HG2 PRO A 44 -9.846 -11.565 -4.071 1.00 12.42 H new ATOM 0 HG3 PRO A 44 -8.693 -10.284 -4.389 1.00 12.42 H new ATOM 0 HD2 PRO A 44 -8.041 -12.476 -2.905 1.00 65.32 H new ATOM 0 HD3 PRO A 44 -7.302 -10.913 -2.618 1.00 65.32 H new ATOM 697 N ILE A 45 -12.128 -10.305 -0.147 1.00 34.33 N ATOM 698 CA ILE A 45 -13.361 -10.851 0.412 1.00 60.44 C ATOM 699 C ILE A 45 -14.424 -11.069 -0.668 1.00 73.41 C ATOM 700 O ILE A 45 -15.186 -12.031 -0.621 1.00 5.12 O ATOM 701 CB ILE A 45 -13.916 -9.933 1.528 1.00 35.03 C ATOM 702 CG1 ILE A 45 -15.098 -10.604 2.239 1.00 13.01 C ATOM 703 CG2 ILE A 45 -14.323 -8.570 0.972 1.00 72.32 C ATOM 704 CD1 ILE A 45 -15.606 -9.828 3.435 1.00 13.43 C ATOM 0 H ILE A 45 -11.913 -9.357 0.160 1.00 34.33 H new ATOM 0 HA ILE A 45 -13.116 -11.821 0.844 1.00 60.44 H new ATOM 0 HB ILE A 45 -13.121 -9.771 2.256 1.00 35.03 H new ATOM 0 HG12 ILE A 45 -15.913 -10.733 1.527 1.00 13.01 H new ATOM 0 HG13 ILE A 45 -14.798 -11.600 2.564 1.00 13.01 H new ATOM 0 HG21 ILE A 45 -14.709 -7.948 1.780 1.00 72.32 H new ATOM 0 HG22 ILE A 45 -13.455 -8.086 0.524 1.00 72.32 H new ATOM 0 HG23 ILE A 45 -15.096 -8.702 0.215 1.00 72.32 H new ATOM 0 HD11 ILE A 45 -16.441 -10.362 3.887 1.00 13.43 H new ATOM 0 HD12 ILE A 45 -14.805 -9.721 4.166 1.00 13.43 H new ATOM 0 HD13 ILE A 45 -15.938 -8.841 3.114 1.00 13.43 H new ATOM 716 N SER A 46 -14.449 -10.181 -1.646 1.00 31.41 N ATOM 717 CA SER A 46 -15.430 -10.245 -2.715 1.00 51.31 C ATOM 718 C SER A 46 -14.885 -9.512 -3.938 1.00 3.12 C ATOM 719 O SER A 46 -15.581 -8.733 -4.590 1.00 12.24 O ATOM 720 CB SER A 46 -16.752 -9.629 -2.232 1.00 52.12 C ATOM 721 OG SER A 46 -17.801 -9.805 -3.173 1.00 43.11 O ATOM 0 H SER A 46 -13.796 -9.401 -1.722 1.00 31.41 H new ATOM 0 HA SER A 46 -15.623 -11.281 -2.994 1.00 51.31 H new ATOM 0 HB2 SER A 46 -17.037 -10.083 -1.283 1.00 52.12 H new ATOM 0 HB3 SER A 46 -16.608 -8.565 -2.045 1.00 52.12 H new ATOM 0 HG SER A 46 -17.503 -9.500 -4.056 1.00 43.11 H new ATOM 727 N GLY A 47 -13.619 -9.774 -4.244 1.00 52.32 N ATOM 728 CA GLY A 47 -12.965 -9.089 -5.342 1.00 12.35 C ATOM 729 C GLY A 47 -12.433 -7.728 -4.940 1.00 2.53 C ATOM 730 O GLY A 47 -11.812 -7.039 -5.743 1.00 5.44 O ATOM 0 H GLY A 47 -13.034 -10.449 -3.751 1.00 52.32 H new ATOM 0 HA2 GLY A 47 -12.143 -9.703 -5.711 1.00 12.35 H new ATOM 0 HA3 GLY A 47 -13.670 -8.972 -6.165 1.00 12.35 H new ATOM 734 N PHE A 48 -12.663 -7.348 -3.688 1.00 43.25 N ATOM 735 CA PHE A 48 -12.244 -6.050 -3.195 1.00 72.45 C ATOM 736 C PHE A 48 -11.801 -6.172 -1.748 1.00 53.22 C ATOM 737 O PHE A 48 -11.995 -7.216 -1.120 1.00 43.12 O ATOM 738 CB PHE A 48 -13.388 -5.027 -3.315 1.00 31.32 C ATOM 739 CG PHE A 48 -14.514 -5.222 -2.329 1.00 13.44 C ATOM 740 CD1 PHE A 48 -15.508 -6.159 -2.558 1.00 12.22 C ATOM 741 CD2 PHE A 48 -14.576 -4.460 -1.174 1.00 23.31 C ATOM 742 CE1 PHE A 48 -16.538 -6.333 -1.652 1.00 53.13 C ATOM 743 CE2 PHE A 48 -15.603 -4.630 -0.266 1.00 31.42 C ATOM 744 CZ PHE A 48 -16.584 -5.567 -0.505 1.00 15.50 C ATOM 0 H PHE A 48 -13.140 -7.927 -2.997 1.00 43.25 H new ATOM 0 HA PHE A 48 -11.408 -5.699 -3.800 1.00 72.45 H new ATOM 0 HB2 PHE A 48 -12.977 -4.026 -3.184 1.00 31.32 H new ATOM 0 HB3 PHE A 48 -13.795 -5.074 -4.325 1.00 31.32 H new ATOM 0 HD1 PHE A 48 -15.478 -6.761 -3.454 1.00 12.22 H new ATOM 0 HD2 PHE A 48 -13.811 -3.723 -0.981 1.00 23.31 H new ATOM 0 HE1 PHE A 48 -17.306 -7.068 -1.842 1.00 53.13 H new ATOM 0 HE2 PHE A 48 -15.637 -4.029 0.631 1.00 31.42 H new ATOM 0 HZ PHE A 48 -17.388 -5.702 0.204 1.00 15.50 H new ATOM 754 N ILE A 49 -11.205 -5.113 -1.234 1.00 63.34 N ATOM 755 CA ILE A 49 -10.809 -5.061 0.159 1.00 23.51 C ATOM 756 C ILE A 49 -11.438 -3.862 0.837 1.00 65.12 C ATOM 757 O ILE A 49 -12.152 -3.083 0.207 1.00 34.32 O ATOM 758 CB ILE A 49 -9.282 -4.982 0.338 1.00 53.25 C ATOM 759 CG1 ILE A 49 -8.643 -4.163 -0.790 1.00 64.11 C ATOM 760 CG2 ILE A 49 -8.686 -6.378 0.416 1.00 23.33 C ATOM 761 CD1 ILE A 49 -7.206 -3.778 -0.516 1.00 14.44 C ATOM 0 H ILE A 49 -10.983 -4.271 -1.766 1.00 63.34 H new ATOM 0 HA ILE A 49 -11.157 -5.988 0.615 1.00 23.51 H new ATOM 0 HB ILE A 49 -9.067 -4.471 1.277 1.00 53.25 H new ATOM 0 HG12 ILE A 49 -8.687 -4.737 -1.715 1.00 64.11 H new ATOM 0 HG13 ILE A 49 -9.230 -3.258 -0.949 1.00 64.11 H new ATOM 0 HG21 ILE A 49 -7.606 -6.306 0.543 1.00 23.33 H new ATOM 0 HG22 ILE A 49 -9.116 -6.910 1.264 1.00 23.33 H new ATOM 0 HG23 ILE A 49 -8.908 -6.920 -0.503 1.00 23.33 H new ATOM 0 HD11 ILE A 49 -6.818 -3.201 -1.355 1.00 14.44 H new ATOM 0 HD12 ILE A 49 -7.157 -3.177 0.392 1.00 14.44 H new ATOM 0 HD13 ILE A 49 -6.606 -4.679 -0.387 1.00 14.44 H new ATOM 773 N THR A 50 -11.158 -3.716 2.115 1.00 53.15 N ATOM 774 CA THR A 50 -11.698 -2.630 2.895 1.00 24.40 C ATOM 775 C THR A 50 -10.812 -2.416 4.125 1.00 61.34 C ATOM 776 O THR A 50 -9.780 -3.081 4.263 1.00 34.35 O ATOM 777 CB THR A 50 -13.158 -2.934 3.322 1.00 44.30 C ATOM 778 OG1 THR A 50 -13.737 -1.811 4.005 1.00 53.22 O ATOM 779 CG2 THR A 50 -13.219 -4.168 4.217 1.00 41.43 C ATOM 0 H THR A 50 -10.551 -4.347 2.638 1.00 53.15 H new ATOM 0 HA THR A 50 -11.711 -1.722 2.292 1.00 24.40 H new ATOM 0 HB THR A 50 -13.732 -3.129 2.416 1.00 44.30 H new ATOM 0 HG1 THR A 50 -13.751 -1.986 4.969 1.00 53.22 H new ATOM 0 HG21 THR A 50 -14.253 -4.360 4.502 1.00 41.43 H new ATOM 0 HG22 THR A 50 -12.826 -5.029 3.677 1.00 41.43 H new ATOM 0 HG23 THR A 50 -12.621 -3.998 5.112 1.00 41.43 H new ATOM 787 N GLY A 51 -11.229 -1.518 5.018 1.00 44.01 N ATOM 788 CA GLY A 51 -10.462 -1.220 6.219 1.00 60.30 C ATOM 789 C GLY A 51 -10.140 -2.460 7.035 1.00 72.32 C ATOM 790 O GLY A 51 -9.047 -2.582 7.587 1.00 22.03 O ATOM 0 H GLY A 51 -12.095 -0.986 4.929 1.00 44.01 H new ATOM 0 HA2 GLY A 51 -9.533 -0.725 5.937 1.00 60.30 H new ATOM 0 HA3 GLY A 51 -11.022 -0.519 6.838 1.00 60.30 H new ATOM 794 N ASP A 52 -11.092 -3.386 7.092 1.00 12.14 N ATOM 795 CA ASP A 52 -10.936 -4.613 7.874 1.00 14.55 C ATOM 796 C ASP A 52 -9.753 -5.440 7.383 1.00 54.53 C ATOM 797 O ASP A 52 -8.864 -5.792 8.162 1.00 73.30 O ATOM 798 CB ASP A 52 -12.213 -5.456 7.804 1.00 33.10 C ATOM 799 CG ASP A 52 -12.180 -6.640 8.752 1.00 15.43 C ATOM 800 OD1 ASP A 52 -11.581 -7.678 8.403 1.00 60.42 O ATOM 801 OD2 ASP A 52 -12.753 -6.535 9.857 1.00 13.31 O ATOM 0 H ASP A 52 -11.985 -3.311 6.604 1.00 12.14 H new ATOM 0 HA ASP A 52 -10.748 -4.322 8.907 1.00 14.55 H new ATOM 0 HB2 ASP A 52 -13.072 -4.829 8.041 1.00 33.10 H new ATOM 0 HB3 ASP A 52 -12.352 -5.815 6.784 1.00 33.10 H new ATOM 806 N GLN A 53 -9.738 -5.734 6.088 1.00 63.35 N ATOM 807 CA GLN A 53 -8.688 -6.564 5.511 1.00 71.54 C ATOM 808 C GLN A 53 -7.367 -5.805 5.449 1.00 71.12 C ATOM 809 O GLN A 53 -6.294 -6.410 5.536 1.00 15.22 O ATOM 810 CB GLN A 53 -9.079 -7.055 4.118 1.00 3.25 C ATOM 811 CG GLN A 53 -10.290 -7.977 4.111 1.00 34.11 C ATOM 812 CD GLN A 53 -10.436 -8.735 2.804 1.00 71.24 C ATOM 813 OE1 GLN A 53 -11.085 -8.273 1.868 1.00 33.05 O ATOM 814 NE2 GLN A 53 -9.831 -9.911 2.739 1.00 33.30 N ATOM 0 H GLN A 53 -10.438 -5.411 5.420 1.00 63.35 H new ATOM 0 HA GLN A 53 -8.560 -7.432 6.158 1.00 71.54 H new ATOM 0 HB2 GLN A 53 -9.286 -6.193 3.484 1.00 3.25 H new ATOM 0 HB3 GLN A 53 -8.232 -7.580 3.676 1.00 3.25 H new ATOM 0 HG2 GLN A 53 -10.206 -8.689 4.932 1.00 34.11 H new ATOM 0 HG3 GLN A 53 -11.191 -7.390 4.289 1.00 34.11 H new ATOM 0 HE21 GLN A 53 -9.302 -10.257 3.539 1.00 33.30 H new ATOM 0 HE22 GLN A 53 -9.894 -10.470 1.888 1.00 33.30 H new ATOM 823 N ALA A 54 -7.448 -4.483 5.308 1.00 65.41 N ATOM 824 CA ALA A 54 -6.258 -3.639 5.310 1.00 51.25 C ATOM 825 C ALA A 54 -5.517 -3.780 6.634 1.00 2.54 C ATOM 826 O ALA A 54 -4.292 -3.876 6.663 1.00 71.13 O ATOM 827 CB ALA A 54 -6.626 -2.180 5.056 1.00 11.12 C ATOM 0 H ALA A 54 -8.325 -3.975 5.191 1.00 65.41 H new ATOM 0 HA ALA A 54 -5.602 -3.967 4.504 1.00 51.25 H new ATOM 0 HB1 ALA A 54 -5.722 -1.570 5.062 1.00 11.12 H new ATOM 0 HB2 ALA A 54 -7.117 -2.092 4.087 1.00 11.12 H new ATOM 0 HB3 ALA A 54 -7.302 -1.834 5.838 1.00 11.12 H new ATOM 833 N ARG A 55 -6.278 -3.819 7.724 1.00 52.30 N ATOM 834 CA ARG A 55 -5.709 -3.998 9.053 1.00 15.51 C ATOM 835 C ARG A 55 -4.911 -5.293 9.136 1.00 5.44 C ATOM 836 O ARG A 55 -3.763 -5.291 9.581 1.00 2.45 O ATOM 837 CB ARG A 55 -6.809 -4.011 10.113 1.00 31.32 C ATOM 838 CG ARG A 55 -7.482 -2.668 10.315 1.00 45.12 C ATOM 839 CD ARG A 55 -6.496 -1.621 10.794 1.00 1.23 C ATOM 840 NE ARG A 55 -7.155 -0.359 11.119 1.00 53.41 N ATOM 841 CZ ARG A 55 -6.504 0.755 11.455 1.00 2.15 C ATOM 842 NH1 ARG A 55 -5.181 0.752 11.563 1.00 13.01 N ATOM 843 NH2 ARG A 55 -7.180 1.864 11.715 1.00 40.25 N ATOM 0 H ARG A 55 -7.294 -3.729 7.711 1.00 52.30 H new ATOM 0 HA ARG A 55 -5.039 -3.159 9.240 1.00 15.51 H new ATOM 0 HB2 ARG A 55 -7.563 -4.746 9.831 1.00 31.32 H new ATOM 0 HB3 ARG A 55 -6.383 -4.339 11.061 1.00 31.32 H new ATOM 0 HG2 ARG A 55 -7.935 -2.342 9.379 1.00 45.12 H new ATOM 0 HG3 ARG A 55 -8.289 -2.769 11.041 1.00 45.12 H new ATOM 0 HD2 ARG A 55 -5.971 -1.993 11.674 1.00 1.23 H new ATOM 0 HD3 ARG A 55 -5.745 -1.450 10.023 1.00 1.23 H new ATOM 0 HE ARG A 55 -8.174 -0.328 11.087 1.00 53.41 H new ATOM 0 HH11 ARG A 55 -4.657 -0.106 11.389 1.00 13.01 H new ATOM 0 HH12 ARG A 55 -4.688 1.607 11.820 1.00 13.01 H new ATOM 0 HH21 ARG A 55 -8.198 1.866 11.658 1.00 40.25 H new ATOM 0 HH22 ARG A 55 -6.682 2.716 11.972 1.00 40.25 H new ATOM 857 N ASN A 56 -5.521 -6.388 8.693 1.00 42.12 N ATOM 858 CA ASN A 56 -4.891 -7.704 8.769 1.00 41.22 C ATOM 859 C ASN A 56 -3.613 -7.744 7.944 1.00 64.20 C ATOM 860 O ASN A 56 -2.573 -8.174 8.430 1.00 51.21 O ATOM 861 CB ASN A 56 -5.858 -8.800 8.302 1.00 61.32 C ATOM 862 CG ASN A 56 -5.242 -10.191 8.366 1.00 3.24 C ATOM 863 OD1 ASN A 56 -5.257 -10.839 9.412 1.00 23.35 O ATOM 864 ND2 ASN A 56 -4.722 -10.670 7.244 1.00 71.11 N ATOM 0 H ASN A 56 -6.452 -6.391 8.277 1.00 42.12 H new ATOM 0 HA ASN A 56 -4.634 -7.890 9.812 1.00 41.22 H new ATOM 0 HB2 ASN A 56 -6.755 -8.775 8.920 1.00 61.32 H new ATOM 0 HB3 ASN A 56 -6.170 -8.592 7.279 1.00 61.32 H new ATOM 0 HD21 ASN A 56 -4.316 -11.606 7.229 1.00 71.11 H new ATOM 0 HD22 ASN A 56 -4.728 -10.103 6.396 1.00 71.11 H new ATOM 871 N PHE A 57 -3.692 -7.272 6.705 1.00 51.34 N ATOM 872 CA PHE A 57 -2.540 -7.271 5.812 1.00 64.55 C ATOM 873 C PHE A 57 -1.392 -6.460 6.408 1.00 1.45 C ATOM 874 O PHE A 57 -0.267 -6.954 6.525 1.00 10.13 O ATOM 875 CB PHE A 57 -2.931 -6.708 4.444 1.00 64.11 C ATOM 876 CG PHE A 57 -1.821 -6.774 3.435 1.00 55.53 C ATOM 877 CD1 PHE A 57 -0.927 -5.727 3.303 1.00 70.14 C ATOM 878 CD2 PHE A 57 -1.664 -7.890 2.627 1.00 22.20 C ATOM 879 CE1 PHE A 57 0.099 -5.787 2.388 1.00 4.32 C ATOM 880 CE2 PHE A 57 -0.638 -7.956 1.705 1.00 61.11 C ATOM 881 CZ PHE A 57 0.246 -6.901 1.585 1.00 44.21 C ATOM 0 H PHE A 57 -4.543 -6.885 6.296 1.00 51.34 H new ATOM 0 HA PHE A 57 -2.203 -8.300 5.687 1.00 64.55 H new ATOM 0 HB2 PHE A 57 -3.791 -7.260 4.064 1.00 64.11 H new ATOM 0 HB3 PHE A 57 -3.244 -5.671 4.562 1.00 64.11 H new ATOM 0 HD1 PHE A 57 -1.036 -4.851 3.926 1.00 70.14 H new ATOM 0 HD2 PHE A 57 -2.352 -8.717 2.720 1.00 22.20 H new ATOM 0 HE1 PHE A 57 0.790 -4.962 2.298 1.00 4.32 H new ATOM 0 HE2 PHE A 57 -0.527 -8.830 1.080 1.00 61.11 H new ATOM 0 HZ PHE A 57 1.050 -6.947 0.865 1.00 44.21 H new ATOM 891 N PHE A 58 -1.687 -5.223 6.787 1.00 55.52 N ATOM 892 CA PHE A 58 -0.687 -4.329 7.357 1.00 0.05 C ATOM 893 C PHE A 58 -0.071 -4.912 8.626 1.00 12.34 C ATOM 894 O PHE A 58 1.149 -4.930 8.782 1.00 11.15 O ATOM 895 CB PHE A 58 -1.305 -2.957 7.649 1.00 61.24 C ATOM 896 CG PHE A 58 -1.363 -2.048 6.451 1.00 42.32 C ATOM 897 CD1 PHE A 58 -1.820 -2.509 5.227 1.00 62.42 C ATOM 898 CD2 PHE A 58 -0.955 -0.727 6.553 1.00 22.54 C ATOM 899 CE1 PHE A 58 -1.868 -1.673 4.131 1.00 61.25 C ATOM 900 CE2 PHE A 58 -1.001 0.115 5.460 1.00 2.44 C ATOM 901 CZ PHE A 58 -1.458 -0.358 4.247 1.00 44.44 C ATOM 0 H PHE A 58 -2.618 -4.814 6.709 1.00 55.52 H new ATOM 0 HA PHE A 58 0.111 -4.212 6.623 1.00 0.05 H new ATOM 0 HB2 PHE A 58 -2.315 -3.099 8.035 1.00 61.24 H new ATOM 0 HB3 PHE A 58 -0.729 -2.470 8.435 1.00 61.24 H new ATOM 0 HD1 PHE A 58 -2.142 -3.535 5.130 1.00 62.42 H new ATOM 0 HD2 PHE A 58 -0.596 -0.352 7.500 1.00 22.54 H new ATOM 0 HE1 PHE A 58 -2.226 -2.046 3.183 1.00 61.25 H new ATOM 0 HE2 PHE A 58 -0.680 1.142 5.554 1.00 2.44 H new ATOM 0 HZ PHE A 58 -1.495 0.298 3.390 1.00 44.44 H new ATOM 911 N PHE A 59 -0.914 -5.409 9.522 1.00 51.23 N ATOM 912 CA PHE A 59 -0.439 -5.942 10.794 1.00 11.14 C ATOM 913 C PHE A 59 0.392 -7.202 10.572 1.00 75.14 C ATOM 914 O PHE A 59 1.415 -7.412 11.226 1.00 70.35 O ATOM 915 CB PHE A 59 -1.614 -6.255 11.720 1.00 45.02 C ATOM 916 CG PHE A 59 -1.203 -6.463 13.149 1.00 54.24 C ATOM 917 CD1 PHE A 59 -0.848 -5.383 13.933 1.00 73.31 C ATOM 918 CD2 PHE A 59 -1.162 -7.732 13.704 1.00 34.53 C ATOM 919 CE1 PHE A 59 -0.462 -5.557 15.247 1.00 32.33 C ATOM 920 CE2 PHE A 59 -0.779 -7.914 15.020 1.00 31.03 C ATOM 921 CZ PHE A 59 -0.427 -6.824 15.790 1.00 13.34 C ATOM 0 H PHE A 59 -1.925 -5.455 9.394 1.00 51.23 H new ATOM 0 HA PHE A 59 0.188 -5.184 11.263 1.00 11.14 H new ATOM 0 HB2 PHE A 59 -2.334 -5.438 11.671 1.00 45.02 H new ATOM 0 HB3 PHE A 59 -2.122 -7.150 11.361 1.00 45.02 H new ATOM 0 HD1 PHE A 59 -0.873 -4.389 13.512 1.00 73.31 H new ATOM 0 HD2 PHE A 59 -1.432 -8.587 13.103 1.00 34.53 H new ATOM 0 HE1 PHE A 59 -0.188 -4.703 15.848 1.00 32.33 H new ATOM 0 HE2 PHE A 59 -0.755 -8.907 15.444 1.00 31.03 H new ATOM 0 HZ PHE A 59 -0.124 -6.963 16.817 1.00 13.34 H new ATOM 931 N GLN A 60 -0.038 -8.023 9.626 1.00 65.35 N ATOM 932 CA GLN A 60 0.633 -9.280 9.334 1.00 54.14 C ATOM 933 C GLN A 60 1.968 -9.031 8.625 1.00 55.30 C ATOM 934 O GLN A 60 2.796 -9.935 8.494 1.00 25.21 O ATOM 935 CB GLN A 60 -0.280 -10.169 8.489 1.00 4.20 C ATOM 936 CG GLN A 60 0.190 -11.605 8.370 1.00 42.54 C ATOM 937 CD GLN A 60 -0.814 -12.474 7.645 1.00 62.22 C ATOM 938 OE1 GLN A 60 -0.765 -12.612 6.424 1.00 43.15 O ATOM 939 NE2 GLN A 60 -1.732 -13.067 8.392 1.00 63.35 N ATOM 0 H GLN A 60 -0.855 -7.839 9.044 1.00 65.35 H new ATOM 0 HA GLN A 60 0.848 -9.793 10.272 1.00 54.14 H new ATOM 0 HB2 GLN A 60 -1.280 -10.160 8.923 1.00 4.20 H new ATOM 0 HB3 GLN A 60 -0.362 -9.741 7.490 1.00 4.20 H new ATOM 0 HG2 GLN A 60 1.142 -11.632 7.840 1.00 42.54 H new ATOM 0 HG3 GLN A 60 0.368 -12.011 9.366 1.00 42.54 H new ATOM 0 HE21 GLN A 60 -1.737 -12.926 9.402 1.00 63.35 H new ATOM 0 HE22 GLN A 60 -2.435 -13.665 7.957 1.00 63.35 H new ATOM 948 N SER A 61 2.175 -7.799 8.180 1.00 44.33 N ATOM 949 CA SER A 61 3.439 -7.413 7.573 1.00 63.13 C ATOM 950 C SER A 61 4.528 -7.302 8.640 1.00 24.21 C ATOM 951 O SER A 61 5.717 -7.381 8.340 1.00 51.34 O ATOM 952 CB SER A 61 3.286 -6.090 6.820 1.00 11.13 C ATOM 953 OG SER A 61 2.275 -6.187 5.829 1.00 53.24 O ATOM 0 H SER A 61 1.483 -7.051 8.228 1.00 44.33 H new ATOM 0 HA SER A 61 3.733 -8.183 6.859 1.00 63.13 H new ATOM 0 HB2 SER A 61 3.038 -5.294 7.522 1.00 11.13 H new ATOM 0 HB3 SER A 61 4.234 -5.820 6.354 1.00 11.13 H new ATOM 0 HG SER A 61 1.418 -6.395 6.256 1.00 53.24 H new ATOM 959 N GLY A 62 4.110 -7.133 9.891 1.00 52.40 N ATOM 960 CA GLY A 62 5.054 -7.088 10.991 1.00 2.43 C ATOM 961 C GLY A 62 5.517 -5.682 11.310 1.00 15.21 C ATOM 962 O GLY A 62 6.430 -5.489 12.111 1.00 31.03 O ATOM 0 H GLY A 62 3.132 -7.026 10.162 1.00 52.40 H new ATOM 0 HA2 GLY A 62 4.593 -7.524 11.877 1.00 2.43 H new ATOM 0 HA3 GLY A 62 5.919 -7.704 10.746 1.00 2.43 H new ATOM 966 N LEU A 63 4.888 -4.700 10.686 1.00 41.50 N ATOM 967 CA LEU A 63 5.242 -3.307 10.908 1.00 25.35 C ATOM 968 C LEU A 63 4.411 -2.717 12.042 1.00 12.32 C ATOM 969 O LEU A 63 3.246 -3.075 12.211 1.00 25.13 O ATOM 970 CB LEU A 63 5.031 -2.500 9.624 1.00 33.32 C ATOM 971 CG LEU A 63 5.977 -2.839 8.469 1.00 61.11 C ATOM 972 CD1 LEU A 63 5.519 -2.157 7.189 1.00 13.51 C ATOM 973 CD2 LEU A 63 7.400 -2.421 8.815 1.00 64.14 C ATOM 0 H LEU A 63 4.128 -4.842 10.020 1.00 41.50 H new ATOM 0 HA LEU A 63 6.294 -3.257 11.189 1.00 25.35 H new ATOM 0 HB2 LEU A 63 4.005 -2.649 9.286 1.00 33.32 H new ATOM 0 HB3 LEU A 63 5.138 -1.441 9.859 1.00 33.32 H new ATOM 0 HG LEU A 63 5.959 -3.917 8.309 1.00 61.11 H new ATOM 0 HD11 LEU A 63 6.203 -2.409 6.378 1.00 13.51 H new ATOM 0 HD12 LEU A 63 4.515 -2.496 6.935 1.00 13.51 H new ATOM 0 HD13 LEU A 63 5.511 -1.077 7.335 1.00 13.51 H new ATOM 0 HD21 LEU A 63 8.063 -2.667 7.986 1.00 64.14 H new ATOM 0 HD22 LEU A 63 7.430 -1.347 8.997 1.00 64.14 H new ATOM 0 HD23 LEU A 63 7.727 -2.950 9.710 1.00 64.14 H new ATOM 985 N PRO A 64 5.014 -1.823 12.847 1.00 21.11 N ATOM 986 CA PRO A 64 4.316 -1.135 13.942 1.00 21.32 C ATOM 987 C PRO A 64 3.159 -0.267 13.445 1.00 33.30 C ATOM 988 O PRO A 64 3.139 0.153 12.287 1.00 65.33 O ATOM 989 CB PRO A 64 5.402 -0.256 14.577 1.00 64.52 C ATOM 990 CG PRO A 64 6.693 -0.849 14.129 1.00 11.23 C ATOM 991 CD PRO A 64 6.430 -1.432 12.772 1.00 70.30 C ATOM 0 HA PRO A 64 3.866 -1.845 14.636 1.00 21.32 H new ATOM 0 HB2 PRO A 64 5.310 0.780 14.252 1.00 64.52 H new ATOM 0 HB3 PRO A 64 5.324 -0.257 15.664 1.00 64.52 H new ATOM 0 HG2 PRO A 64 7.476 -0.092 14.084 1.00 11.23 H new ATOM 0 HG3 PRO A 64 7.032 -1.617 14.825 1.00 11.23 H new ATOM 0 HD2 PRO A 64 6.606 -0.705 11.980 1.00 70.30 H new ATOM 0 HD3 PRO A 64 7.074 -2.287 12.569 1.00 70.30 H new ATOM 999 N GLN A 65 2.217 0.021 14.341 1.00 30.32 N ATOM 1000 CA GLN A 65 1.003 0.761 13.995 1.00 64.54 C ATOM 1001 C GLN A 65 1.300 2.124 13.345 1.00 34.01 C ATOM 1002 O GLN A 65 0.768 2.408 12.274 1.00 55.10 O ATOM 1003 CB GLN A 65 0.111 0.948 15.226 1.00 72.24 C ATOM 1004 CG GLN A 65 -0.339 -0.360 15.863 1.00 53.22 C ATOM 1005 CD GLN A 65 -1.369 -0.152 16.957 1.00 11.34 C ATOM 1006 OE1 GLN A 65 -1.030 0.029 18.126 1.00 25.12 O ATOM 1007 NE2 GLN A 65 -2.636 -0.194 16.583 1.00 3.40 N ATOM 0 H GLN A 65 2.272 -0.250 15.323 1.00 30.32 H new ATOM 0 HA GLN A 65 0.475 0.159 13.255 1.00 64.54 H new ATOM 0 HB2 GLN A 65 0.651 1.536 15.968 1.00 72.24 H new ATOM 0 HB3 GLN A 65 -0.769 1.524 14.941 1.00 72.24 H new ATOM 0 HG2 GLN A 65 -0.757 -1.009 15.094 1.00 53.22 H new ATOM 0 HG3 GLN A 65 0.528 -0.875 16.278 1.00 53.22 H new ATOM 0 HE21 GLN A 65 -2.874 -0.346 15.603 1.00 3.40 H new ATOM 0 HE22 GLN A 65 -3.376 -0.074 17.275 1.00 3.40 H new ATOM 1016 N PRO A 66 2.134 2.997 13.967 1.00 23.54 N ATOM 1017 CA PRO A 66 2.480 4.299 13.372 1.00 53.44 C ATOM 1018 C PRO A 66 3.122 4.144 11.994 1.00 1.10 C ATOM 1019 O PRO A 66 2.855 4.917 11.077 1.00 75.12 O ATOM 1020 CB PRO A 66 3.482 4.908 14.364 1.00 31.31 C ATOM 1021 CG PRO A 66 3.939 3.771 15.214 1.00 2.40 C ATOM 1022 CD PRO A 66 2.785 2.816 15.277 1.00 22.23 C ATOM 0 HA PRO A 66 1.598 4.920 13.216 1.00 53.44 H new ATOM 0 HB2 PRO A 66 4.320 5.370 13.842 1.00 31.31 H new ATOM 0 HB3 PRO A 66 3.014 5.686 14.967 1.00 31.31 H new ATOM 0 HG2 PRO A 66 4.819 3.292 14.786 1.00 2.40 H new ATOM 0 HG3 PRO A 66 4.216 4.115 16.210 1.00 2.40 H new ATOM 0 HD2 PRO A 66 3.119 1.789 15.424 1.00 22.23 H new ATOM 0 HD3 PRO A 66 2.110 3.052 16.099 1.00 22.23 H new ATOM 1030 N VAL A 67 3.951 3.118 11.865 1.00 2.01 N ATOM 1031 CA VAL A 67 4.614 2.792 10.608 1.00 63.02 C ATOM 1032 C VAL A 67 3.589 2.440 9.530 1.00 52.34 C ATOM 1033 O VAL A 67 3.712 2.859 8.376 1.00 53.44 O ATOM 1034 CB VAL A 67 5.580 1.613 10.824 1.00 35.32 C ATOM 1035 CG1 VAL A 67 6.182 1.139 9.519 1.00 32.40 C ATOM 1036 CG2 VAL A 67 6.675 2.006 11.801 1.00 1.50 C ATOM 0 H VAL A 67 4.184 2.486 12.631 1.00 2.01 H new ATOM 0 HA VAL A 67 5.176 3.664 10.273 1.00 63.02 H new ATOM 0 HB VAL A 67 5.008 0.785 11.243 1.00 35.32 H new ATOM 0 HG11 VAL A 67 6.858 0.306 9.712 1.00 32.40 H new ATOM 0 HG12 VAL A 67 5.387 0.813 8.849 1.00 32.40 H new ATOM 0 HG13 VAL A 67 6.735 1.956 9.056 1.00 32.40 H new ATOM 0 HG21 VAL A 67 7.352 1.164 11.946 1.00 1.50 H new ATOM 0 HG22 VAL A 67 7.231 2.855 11.402 1.00 1.50 H new ATOM 0 HG23 VAL A 67 6.228 2.281 12.756 1.00 1.50 H new ATOM 1046 N LEU A 68 2.576 1.682 9.923 1.00 11.30 N ATOM 1047 CA LEU A 68 1.495 1.295 9.025 1.00 65.43 C ATOM 1048 C LEU A 68 0.626 2.493 8.674 1.00 14.00 C ATOM 1049 O LEU A 68 0.320 2.735 7.505 1.00 62.31 O ATOM 1050 CB LEU A 68 0.638 0.217 9.683 1.00 33.33 C ATOM 1051 CG LEU A 68 1.357 -1.093 9.978 1.00 64.32 C ATOM 1052 CD1 LEU A 68 0.442 -2.037 10.739 1.00 31.13 C ATOM 1053 CD2 LEU A 68 1.837 -1.735 8.685 1.00 33.15 C ATOM 0 H LEU A 68 2.479 1.318 10.871 1.00 11.30 H new ATOM 0 HA LEU A 68 1.935 0.905 8.107 1.00 65.43 H new ATOM 0 HB2 LEU A 68 0.239 0.612 10.617 1.00 33.33 H new ATOM 0 HB3 LEU A 68 -0.214 0.008 9.036 1.00 33.33 H new ATOM 0 HG LEU A 68 2.227 -0.883 10.600 1.00 64.32 H new ATOM 0 HD11 LEU A 68 0.969 -2.969 10.943 1.00 31.13 H new ATOM 0 HD12 LEU A 68 0.144 -1.575 11.680 1.00 31.13 H new ATOM 0 HD13 LEU A 68 -0.445 -2.245 10.141 1.00 31.13 H new ATOM 0 HD21 LEU A 68 2.349 -2.670 8.911 1.00 33.15 H new ATOM 0 HD22 LEU A 68 0.982 -1.936 8.039 1.00 33.15 H new ATOM 0 HD23 LEU A 68 2.524 -1.059 8.176 1.00 33.15 H new ATOM 1065 N ALA A 69 0.237 3.236 9.700 1.00 72.32 N ATOM 1066 CA ALA A 69 -0.611 4.409 9.535 1.00 5.34 C ATOM 1067 C ALA A 69 0.060 5.451 8.646 1.00 11.45 C ATOM 1068 O ALA A 69 -0.609 6.179 7.918 1.00 22.23 O ATOM 1069 CB ALA A 69 -0.950 5.003 10.895 1.00 75.31 C ATOM 0 H ALA A 69 0.499 3.044 10.667 1.00 72.32 H new ATOM 0 HA ALA A 69 -1.534 4.099 9.045 1.00 5.34 H new ATOM 0 HB1 ALA A 69 -1.584 5.879 10.761 1.00 75.31 H new ATOM 0 HB2 ALA A 69 -1.478 4.261 11.495 1.00 75.31 H new ATOM 0 HB3 ALA A 69 -0.031 5.294 11.404 1.00 75.31 H new ATOM 1075 N GLN A 70 1.385 5.506 8.703 1.00 23.24 N ATOM 1076 CA GLN A 70 2.160 6.410 7.872 1.00 60.42 C ATOM 1077 C GLN A 70 1.928 6.102 6.394 1.00 4.42 C ATOM 1078 O GLN A 70 1.778 7.010 5.577 1.00 30.43 O ATOM 1079 CB GLN A 70 3.642 6.272 8.238 1.00 71.11 C ATOM 1080 CG GLN A 70 4.536 7.382 7.714 1.00 55.24 C ATOM 1081 CD GLN A 70 5.206 7.048 6.391 1.00 71.31 C ATOM 1082 OE1 GLN A 70 6.299 6.473 6.355 1.00 21.44 O ATOM 1083 NE2 GLN A 70 4.562 7.405 5.295 1.00 2.21 N ATOM 0 H GLN A 70 1.948 4.926 9.325 1.00 23.24 H new ATOM 0 HA GLN A 70 1.844 7.438 8.048 1.00 60.42 H new ATOM 0 HB2 GLN A 70 3.731 6.235 9.324 1.00 71.11 H new ATOM 0 HB3 GLN A 70 4.008 5.319 7.856 1.00 71.11 H new ATOM 0 HG2 GLN A 70 3.943 8.289 7.593 1.00 55.24 H new ATOM 0 HG3 GLN A 70 5.304 7.600 8.456 1.00 55.24 H new ATOM 0 HE21 GLN A 70 3.661 7.878 5.364 1.00 2.21 H new ATOM 0 HE22 GLN A 70 4.965 7.207 4.379 1.00 2.21 H new ATOM 1092 N ILE A 71 1.880 4.817 6.065 1.00 40.23 N ATOM 1093 CA ILE A 71 1.645 4.387 4.691 1.00 51.23 C ATOM 1094 C ILE A 71 0.183 4.572 4.309 1.00 42.54 C ATOM 1095 O ILE A 71 -0.126 5.015 3.205 1.00 53.45 O ATOM 1096 CB ILE A 71 2.068 2.915 4.481 1.00 54.21 C ATOM 1097 CG1 ILE A 71 3.593 2.815 4.477 1.00 31.45 C ATOM 1098 CG2 ILE A 71 1.490 2.352 3.185 1.00 33.05 C ATOM 1099 CD1 ILE A 71 4.107 1.402 4.576 1.00 2.21 C ATOM 0 H ILE A 71 2.001 4.054 6.731 1.00 40.23 H new ATOM 0 HA ILE A 71 2.259 5.013 4.043 1.00 51.23 H new ATOM 0 HB ILE A 71 1.671 2.320 5.303 1.00 54.21 H new ATOM 0 HG12 ILE A 71 3.976 3.268 3.563 1.00 31.45 H new ATOM 0 HG13 ILE A 71 3.989 3.396 5.310 1.00 31.45 H new ATOM 0 HG21 ILE A 71 1.805 1.315 3.066 1.00 33.05 H new ATOM 0 HG22 ILE A 71 0.402 2.398 3.222 1.00 33.05 H new ATOM 0 HG23 ILE A 71 1.850 2.940 2.341 1.00 33.05 H new ATOM 0 HD11 ILE A 71 5.197 1.410 4.567 1.00 2.21 H new ATOM 0 HD12 ILE A 71 3.755 0.951 5.504 1.00 2.21 H new ATOM 0 HD13 ILE A 71 3.742 0.822 3.729 1.00 2.21 H new ATOM 1111 N TRP A 72 -0.712 4.259 5.232 1.00 50.51 N ATOM 1112 CA TRP A 72 -2.135 4.408 4.975 1.00 74.03 C ATOM 1113 C TRP A 72 -2.491 5.874 4.783 1.00 52.33 C ATOM 1114 O TRP A 72 -3.269 6.216 3.899 1.00 14.01 O ATOM 1115 CB TRP A 72 -2.958 3.811 6.113 1.00 40.40 C ATOM 1116 CG TRP A 72 -4.433 3.804 5.840 1.00 45.20 C ATOM 1117 CD1 TRP A 72 -5.046 3.679 4.626 1.00 53.41 C ATOM 1118 CD2 TRP A 72 -5.480 3.909 6.803 1.00 23.24 C ATOM 1119 NE1 TRP A 72 -6.408 3.710 4.779 1.00 1.45 N ATOM 1120 CE2 TRP A 72 -6.701 3.839 6.106 1.00 32.41 C ATOM 1121 CE3 TRP A 72 -5.504 4.054 8.189 1.00 21.44 C ATOM 1122 CZ2 TRP A 72 -7.930 3.902 6.749 1.00 64.13 C ATOM 1123 CZ3 TRP A 72 -6.728 4.117 8.830 1.00 64.14 C ATOM 1124 CH2 TRP A 72 -7.926 4.036 8.108 1.00 15.44 C ATOM 0 H TRP A 72 -0.481 3.903 6.159 1.00 50.51 H new ATOM 0 HA TRP A 72 -2.371 3.867 4.059 1.00 74.03 H new ATOM 0 HB2 TRP A 72 -2.625 2.789 6.296 1.00 40.40 H new ATOM 0 HB3 TRP A 72 -2.767 4.376 7.025 1.00 40.40 H new ATOM 0 HD1 TRP A 72 -4.532 3.571 3.682 1.00 53.41 H new ATOM 0 HE1 TRP A 72 -7.091 3.647 4.024 1.00 1.45 H new ATOM 0 HE3 TRP A 72 -4.584 4.116 8.752 1.00 21.44 H new ATOM 0 HZ2 TRP A 72 -8.855 3.847 6.195 1.00 64.13 H new ATOM 0 HZ3 TRP A 72 -6.761 4.230 9.904 1.00 64.14 H new ATOM 0 HH2 TRP A 72 -8.866 4.080 8.637 1.00 15.44 H new ATOM 1135 N ALA A 73 -1.893 6.745 5.590 1.00 2.41 N ATOM 1136 CA ALA A 73 -2.181 8.170 5.506 1.00 12.42 C ATOM 1137 C ALA A 73 -1.723 8.737 4.160 1.00 23.01 C ATOM 1138 O ALA A 73 -2.128 9.828 3.753 1.00 24.35 O ATOM 1139 CB ALA A 73 -1.513 8.919 6.649 1.00 64.22 C ATOM 0 H ALA A 73 -1.211 6.490 6.304 1.00 2.41 H new ATOM 0 HA ALA A 73 -3.260 8.303 5.587 1.00 12.42 H new ATOM 0 HB1 ALA A 73 -1.740 9.982 6.569 1.00 64.22 H new ATOM 0 HB2 ALA A 73 -1.886 8.539 7.600 1.00 64.22 H new ATOM 0 HB3 ALA A 73 -0.434 8.773 6.598 1.00 64.22 H new ATOM 1145 N LEU A 74 -0.851 7.986 3.493 1.00 31.33 N ATOM 1146 CA LEU A 74 -0.335 8.356 2.182 1.00 24.12 C ATOM 1147 C LEU A 74 -1.158 7.762 1.047 1.00 20.44 C ATOM 1148 O LEU A 74 -1.363 8.412 0.023 1.00 75.23 O ATOM 1149 CB LEU A 74 1.107 7.877 2.045 1.00 71.33 C ATOM 1150 CG LEU A 74 2.165 8.863 2.508 1.00 45.33 C ATOM 1151 CD1 LEU A 74 3.542 8.252 2.367 1.00 31.45 C ATOM 1152 CD2 LEU A 74 2.068 10.139 1.696 1.00 33.44 C ATOM 0 H LEU A 74 -0.483 7.103 3.848 1.00 31.33 H new ATOM 0 HA LEU A 74 -0.392 9.442 2.109 1.00 24.12 H new ATOM 0 HB2 LEU A 74 1.221 6.954 2.613 1.00 71.33 H new ATOM 0 HB3 LEU A 74 1.294 7.633 0.999 1.00 71.33 H new ATOM 0 HG LEU A 74 1.997 9.101 3.558 1.00 45.33 H new ATOM 0 HD11 LEU A 74 4.293 8.967 2.702 1.00 31.45 H new ATOM 0 HD12 LEU A 74 3.604 7.350 2.975 1.00 31.45 H new ATOM 0 HD13 LEU A 74 3.722 7.998 1.322 1.00 31.45 H new ATOM 0 HD21 LEU A 74 2.829 10.843 2.032 1.00 33.44 H new ATOM 0 HD22 LEU A 74 2.224 9.912 0.641 1.00 33.44 H new ATOM 0 HD23 LEU A 74 1.081 10.581 1.830 1.00 33.44 H new ATOM 1164 N ALA A 75 -1.622 6.532 1.235 1.00 62.15 N ATOM 1165 CA ALA A 75 -2.236 5.768 0.154 1.00 53.01 C ATOM 1166 C ALA A 75 -3.517 6.420 -0.350 1.00 44.11 C ATOM 1167 O ALA A 75 -3.591 6.828 -1.512 1.00 42.20 O ATOM 1168 CB ALA A 75 -2.505 4.341 0.603 1.00 61.12 C ATOM 0 H ALA A 75 -1.585 6.041 2.128 1.00 62.15 H new ATOM 0 HA ALA A 75 -1.532 5.753 -0.678 1.00 53.01 H new ATOM 0 HB1 ALA A 75 -2.963 3.783 -0.214 1.00 61.12 H new ATOM 0 HB2 ALA A 75 -1.566 3.865 0.886 1.00 61.12 H new ATOM 0 HB3 ALA A 75 -3.179 4.350 1.459 1.00 61.12 H new ATOM 1174 N ASP A 76 -4.533 6.515 0.499 1.00 34.14 N ATOM 1175 CA ASP A 76 -5.734 7.214 0.116 1.00 13.00 C ATOM 1176 C ASP A 76 -5.536 8.699 0.358 1.00 43.02 C ATOM 1177 O ASP A 76 -5.717 9.208 1.460 1.00 60.13 O ATOM 1178 CB ASP A 76 -6.983 6.656 0.822 1.00 2.22 C ATOM 1179 CG ASP A 76 -6.919 6.632 2.337 1.00 74.31 C ATOM 1180 OD1 ASP A 76 -5.928 6.128 2.890 1.00 20.31 O ATOM 1181 OD2 ASP A 76 -7.894 7.090 2.977 1.00 2.32 O ATOM 0 H ASP A 76 -4.543 6.121 1.440 1.00 34.14 H new ATOM 0 HA ASP A 76 -5.917 7.056 -0.947 1.00 13.00 H new ATOM 0 HB2 ASP A 76 -7.845 7.251 0.521 1.00 2.22 H new ATOM 0 HB3 ASP A 76 -7.157 5.640 0.467 1.00 2.22 H new ATOM 1186 N MET A 77 -5.112 9.369 -0.702 1.00 50.01 N ATOM 1187 CA MET A 77 -4.743 10.779 -0.663 1.00 11.01 C ATOM 1188 C MET A 77 -5.915 11.663 -0.251 1.00 41.52 C ATOM 1189 O MET A 77 -5.725 12.716 0.350 1.00 71.04 O ATOM 1190 CB MET A 77 -4.204 11.201 -2.030 1.00 35.32 C ATOM 1191 CG MET A 77 -2.847 10.594 -2.352 1.00 33.52 C ATOM 1192 SD MET A 77 -2.424 10.691 -4.102 1.00 12.51 S ATOM 1193 CE MET A 77 -3.525 9.444 -4.771 1.00 52.33 C ATOM 0 H MET A 77 -5.013 8.946 -1.625 1.00 50.01 H new ATOM 0 HA MET A 77 -3.967 10.908 0.092 1.00 11.01 H new ATOM 0 HB2 MET A 77 -4.918 10.909 -2.801 1.00 35.32 H new ATOM 0 HB3 MET A 77 -4.126 12.288 -2.063 1.00 35.32 H new ATOM 0 HG2 MET A 77 -2.080 11.105 -1.770 1.00 33.52 H new ATOM 0 HG3 MET A 77 -2.840 9.550 -2.040 1.00 33.52 H new ATOM 0 HE1 MET A 77 -3.191 9.161 -5.769 1.00 52.33 H new ATOM 0 HE2 MET A 77 -3.517 8.567 -4.124 1.00 52.33 H new ATOM 0 HE3 MET A 77 -4.537 9.845 -4.827 1.00 52.33 H new ATOM 1203 N ASN A 78 -7.126 11.233 -0.572 1.00 14.34 N ATOM 1204 CA ASN A 78 -8.321 11.970 -0.173 1.00 3.14 C ATOM 1205 C ASN A 78 -8.693 11.624 1.263 1.00 72.24 C ATOM 1206 O ASN A 78 -9.578 12.244 1.858 1.00 51.23 O ATOM 1207 CB ASN A 78 -9.498 11.652 -1.103 1.00 63.53 C ATOM 1208 CG ASN A 78 -10.010 10.225 -0.969 1.00 11.41 C ATOM 1209 OD1 ASN A 78 -9.249 9.293 -0.701 1.00 24.13 O ATOM 1210 ND2 ASN A 78 -11.309 10.046 -1.154 1.00 0.32 N ATOM 0 H ASN A 78 -7.309 10.383 -1.105 1.00 14.34 H new ATOM 0 HA ASN A 78 -8.102 13.035 -0.244 1.00 3.14 H new ATOM 0 HB2 ASN A 78 -10.314 12.343 -0.893 1.00 63.53 H new ATOM 0 HB3 ASN A 78 -9.192 11.824 -2.135 1.00 63.53 H new ATOM 0 HD21 ASN A 78 -11.711 9.112 -1.076 1.00 0.32 H new ATOM 0 HD22 ASN A 78 -11.907 10.842 -1.374 1.00 0.32 H new ATOM 1217 N ASN A 79 -7.985 10.636 1.801 1.00 2.41 N ATOM 1218 CA ASN A 79 -8.236 10.084 3.129 1.00 52.11 C ATOM 1219 C ASN A 79 -9.707 9.748 3.301 1.00 31.54 C ATOM 1220 O ASN A 79 -10.454 10.438 3.995 1.00 42.40 O ATOM 1221 CB ASN A 79 -7.754 11.021 4.241 1.00 72.52 C ATOM 1222 CG ASN A 79 -7.669 10.310 5.580 1.00 1.31 C ATOM 1223 OD1 ASN A 79 -7.321 9.032 5.551 1.00 50.45 O flip ATOM 1224 ND2 ASN A 79 -7.911 10.902 6.632 1.00 61.34 N flip ATOM 0 H ASN A 79 -7.206 10.188 1.318 1.00 2.41 H new ATOM 0 HA ASN A 79 -7.659 9.163 3.213 1.00 52.11 H new ATOM 0 HB2 ASN A 79 -6.775 11.422 3.979 1.00 72.52 H new ATOM 0 HB3 ASN A 79 -8.434 11.869 4.322 1.00 72.52 H new ATOM 0 HD21 ASN A 79 -8.176 11.887 6.614 1.00 61.34 H new ATOM 0 HD22 ASN A 79 -7.846 10.408 7.522 1.00 61.34 H new ATOM 1231 N ASP A 80 -10.118 8.695 2.624 1.00 20.23 N ATOM 1232 CA ASP A 80 -11.484 8.223 2.693 1.00 53.33 C ATOM 1233 C ASP A 80 -11.604 7.167 3.781 1.00 32.32 C ATOM 1234 O ASP A 80 -12.690 6.897 4.288 1.00 13.01 O ATOM 1235 CB ASP A 80 -11.901 7.646 1.340 1.00 4.32 C ATOM 1236 CG ASP A 80 -13.381 7.333 1.266 1.00 61.34 C ATOM 1237 OD1 ASP A 80 -13.772 6.194 1.596 1.00 12.31 O ATOM 1238 OD2 ASP A 80 -14.154 8.218 0.850 1.00 31.41 O ATOM 0 H ASP A 80 -9.516 8.144 2.012 1.00 20.23 H new ATOM 0 HA ASP A 80 -12.145 9.055 2.936 1.00 53.33 H new ATOM 0 HB2 ASP A 80 -11.645 8.355 0.553 1.00 4.32 H new ATOM 0 HB3 ASP A 80 -11.332 6.737 1.147 1.00 4.32 H new ATOM 1243 N GLY A 81 -10.463 6.588 4.153 1.00 11.35 N ATOM 1244 CA GLY A 81 -10.449 5.559 5.174 1.00 11.43 C ATOM 1245 C GLY A 81 -11.007 4.247 4.665 1.00 42.03 C ATOM 1246 O GLY A 81 -11.723 3.544 5.382 1.00 44.45 O ATOM 0 H GLY A 81 -9.548 6.816 3.763 1.00 11.35 H new ATOM 0 HA2 GLY A 81 -9.427 5.408 5.522 1.00 11.43 H new ATOM 0 HA3 GLY A 81 -11.032 5.892 6.032 1.00 11.43 H new ATOM 1250 N ARG A 82 -10.684 3.918 3.424 1.00 54.44 N ATOM 1251 CA ARG A 82 -11.200 2.706 2.800 1.00 2.23 C ATOM 1252 C ARG A 82 -10.075 1.781 2.364 1.00 74.45 C ATOM 1253 O ARG A 82 -10.052 0.604 2.719 1.00 54.43 O ATOM 1254 CB ARG A 82 -12.090 3.065 1.600 1.00 25.51 C ATOM 1255 CG ARG A 82 -11.392 3.882 0.518 1.00 52.13 C ATOM 1256 CD ARG A 82 -12.340 4.248 -0.610 1.00 33.22 C ATOM 1257 NE ARG A 82 -12.860 3.072 -1.307 1.00 51.21 N ATOM 1258 CZ ARG A 82 -14.062 3.023 -1.882 1.00 53.34 C ATOM 1259 NH1 ARG A 82 -14.860 4.083 -1.853 1.00 34.31 N ATOM 1260 NH2 ARG A 82 -14.454 1.925 -2.518 1.00 63.23 N ATOM 0 H ARG A 82 -10.068 4.471 2.828 1.00 54.44 H new ATOM 0 HA ARG A 82 -11.797 2.176 3.542 1.00 2.23 H new ATOM 0 HB2 ARG A 82 -12.468 2.144 1.156 1.00 25.51 H new ATOM 0 HB3 ARG A 82 -12.954 3.624 1.959 1.00 25.51 H new ATOM 0 HG2 ARG A 82 -10.981 4.791 0.957 1.00 52.13 H new ATOM 0 HG3 ARG A 82 -10.553 3.314 0.118 1.00 52.13 H new ATOM 0 HD2 ARG A 82 -13.172 4.826 -0.208 1.00 33.22 H new ATOM 0 HD3 ARG A 82 -11.821 4.889 -1.323 1.00 33.22 H new ATOM 0 HE ARG A 82 -12.269 2.242 -1.356 1.00 51.21 H new ATOM 0 HH11 ARG A 82 -14.554 4.939 -1.390 1.00 34.31 H new ATOM 0 HH12 ARG A 82 -15.779 4.042 -2.294 1.00 34.31 H new ATOM 0 HH21 ARG A 82 -13.835 1.116 -2.568 1.00 63.23 H new ATOM 0 HH22 ARG A 82 -15.374 1.891 -2.957 1.00 63.23 H new ATOM 1274 N MET A 83 -9.141 2.350 1.623 1.00 31.45 N ATOM 1275 CA MET A 83 -8.092 1.598 0.937 1.00 61.11 C ATOM 1276 C MET A 83 -8.706 0.533 0.045 1.00 31.33 C ATOM 1277 O MET A 83 -8.824 -0.637 0.415 1.00 44.43 O ATOM 1278 CB MET A 83 -7.076 0.974 1.900 1.00 13.14 C ATOM 1279 CG MET A 83 -5.999 0.172 1.180 1.00 25.25 C ATOM 1280 SD MET A 83 -4.624 -0.291 2.248 1.00 11.33 S ATOM 1281 CE MET A 83 -3.890 1.314 2.554 1.00 64.34 C ATOM 0 H MET A 83 -9.084 3.358 1.476 1.00 31.45 H new ATOM 0 HA MET A 83 -7.541 2.311 0.324 1.00 61.11 H new ATOM 0 HB2 MET A 83 -6.605 1.763 2.486 1.00 13.14 H new ATOM 0 HB3 MET A 83 -7.599 0.324 2.602 1.00 13.14 H new ATOM 0 HG2 MET A 83 -6.446 -0.730 0.762 1.00 25.25 H new ATOM 0 HG3 MET A 83 -5.619 0.757 0.342 1.00 25.25 H new ATOM 0 HE1 MET A 83 -2.914 1.366 2.071 1.00 64.34 H new ATOM 0 HE2 MET A 83 -4.537 2.093 2.150 1.00 64.34 H new ATOM 0 HE3 MET A 83 -3.772 1.461 3.628 1.00 64.34 H new ATOM 1291 N ASP A 84 -9.132 0.965 -1.121 1.00 72.22 N ATOM 1292 CA ASP A 84 -9.681 0.069 -2.112 1.00 42.10 C ATOM 1293 C ASP A 84 -8.527 -0.546 -2.898 1.00 62.00 C ATOM 1294 O ASP A 84 -7.361 -0.324 -2.562 1.00 21.44 O ATOM 1295 CB ASP A 84 -10.618 0.854 -3.031 1.00 4.02 C ATOM 1296 CG ASP A 84 -11.652 -0.014 -3.706 1.00 20.43 C ATOM 1297 OD1 ASP A 84 -11.338 -0.601 -4.754 1.00 1.51 O ATOM 1298 OD2 ASP A 84 -12.789 -0.095 -3.198 1.00 42.23 O ATOM 0 H ASP A 84 -9.108 1.944 -1.408 1.00 72.22 H new ATOM 0 HA ASP A 84 -10.254 -0.730 -1.642 1.00 42.10 H new ATOM 0 HB2 ASP A 84 -11.124 1.626 -2.451 1.00 4.02 H new ATOM 0 HB3 ASP A 84 -10.027 1.363 -3.792 1.00 4.02 H new ATOM 1303 N GLN A 85 -8.835 -1.291 -3.945 1.00 12.10 N ATOM 1304 CA GLN A 85 -7.797 -1.925 -4.747 1.00 52.31 C ATOM 1305 C GLN A 85 -6.995 -0.874 -5.505 1.00 72.33 C ATOM 1306 O GLN A 85 -5.883 -1.133 -5.963 1.00 2.33 O ATOM 1307 CB GLN A 85 -8.384 -2.974 -5.699 1.00 51.44 C ATOM 1308 CG GLN A 85 -9.603 -2.512 -6.481 1.00 53.12 C ATOM 1309 CD GLN A 85 -10.779 -3.456 -6.308 1.00 61.04 C ATOM 1310 OE1 GLN A 85 -10.939 -4.417 -7.063 1.00 2.40 O ATOM 1311 NE2 GLN A 85 -11.615 -3.188 -5.313 1.00 15.15 N ATOM 0 H GLN A 85 -9.788 -1.473 -4.260 1.00 12.10 H new ATOM 0 HA GLN A 85 -7.120 -2.449 -4.072 1.00 52.31 H new ATOM 0 HB2 GLN A 85 -7.611 -3.278 -6.404 1.00 51.44 H new ATOM 0 HB3 GLN A 85 -8.654 -3.858 -5.122 1.00 51.44 H new ATOM 0 HG2 GLN A 85 -9.888 -1.513 -6.151 1.00 53.12 H new ATOM 0 HG3 GLN A 85 -9.349 -2.439 -7.538 1.00 53.12 H new ATOM 0 HE21 GLN A 85 -11.448 -2.383 -4.710 1.00 15.15 H new ATOM 0 HE22 GLN A 85 -12.424 -3.787 -5.152 1.00 15.15 H new ATOM 1320 N VAL A 86 -7.575 0.313 -5.635 1.00 4.24 N ATOM 1321 CA VAL A 86 -6.882 1.450 -6.220 1.00 11.22 C ATOM 1322 C VAL A 86 -5.766 1.921 -5.287 1.00 24.31 C ATOM 1323 O VAL A 86 -4.599 1.972 -5.677 1.00 73.30 O ATOM 1324 CB VAL A 86 -7.851 2.623 -6.494 1.00 70.13 C ATOM 1325 CG1 VAL A 86 -7.139 3.746 -7.231 1.00 13.42 C ATOM 1326 CG2 VAL A 86 -9.071 2.148 -7.277 1.00 1.42 C ATOM 0 H VAL A 86 -8.531 0.512 -5.340 1.00 4.24 H new ATOM 0 HA VAL A 86 -6.457 1.126 -7.170 1.00 11.22 H new ATOM 0 HB VAL A 86 -8.196 3.010 -5.535 1.00 70.13 H new ATOM 0 HG11 VAL A 86 -7.838 4.562 -7.414 1.00 13.42 H new ATOM 0 HG12 VAL A 86 -6.308 4.109 -6.626 1.00 13.42 H new ATOM 0 HG13 VAL A 86 -6.759 3.373 -8.182 1.00 13.42 H new ATOM 0 HG21 VAL A 86 -9.738 2.991 -7.458 1.00 1.42 H new ATOM 0 HG22 VAL A 86 -8.751 1.728 -8.230 1.00 1.42 H new ATOM 0 HG23 VAL A 86 -9.597 1.385 -6.703 1.00 1.42 H new ATOM 1336 N GLU A 87 -6.126 2.234 -4.044 1.00 23.44 N ATOM 1337 CA GLU A 87 -5.149 2.684 -3.055 1.00 62.31 C ATOM 1338 C GLU A 87 -4.140 1.581 -2.752 1.00 21.22 C ATOM 1339 O GLU A 87 -2.942 1.835 -2.655 1.00 24.11 O ATOM 1340 CB GLU A 87 -5.824 3.135 -1.753 1.00 61.12 C ATOM 1341 CG GLU A 87 -6.694 4.376 -1.894 1.00 70.21 C ATOM 1342 CD GLU A 87 -8.057 4.078 -2.480 1.00 4.11 C ATOM 1343 OE1 GLU A 87 -8.923 3.560 -1.748 1.00 33.54 O ATOM 1344 OE2 GLU A 87 -8.262 4.358 -3.677 1.00 75.11 O ATOM 0 H GLU A 87 -7.084 2.185 -3.698 1.00 23.44 H new ATOM 0 HA GLU A 87 -4.630 3.540 -3.485 1.00 62.31 H new ATOM 0 HB2 GLU A 87 -6.437 2.317 -1.373 1.00 61.12 H new ATOM 0 HB3 GLU A 87 -5.054 3.329 -1.007 1.00 61.12 H new ATOM 0 HG2 GLU A 87 -6.819 4.839 -0.915 1.00 70.21 H new ATOM 0 HG3 GLU A 87 -6.183 5.101 -2.527 1.00 70.21 H new ATOM 1351 N PHE A 88 -4.631 0.354 -2.609 1.00 12.42 N ATOM 1352 CA PHE A 88 -3.763 -0.790 -2.352 1.00 63.43 C ATOM 1353 C PHE A 88 -2.718 -0.948 -3.457 1.00 65.02 C ATOM 1354 O PHE A 88 -1.593 -1.368 -3.197 1.00 42.32 O ATOM 1355 CB PHE A 88 -4.588 -2.072 -2.228 1.00 12.33 C ATOM 1356 CG PHE A 88 -3.780 -3.271 -1.827 1.00 10.42 C ATOM 1357 CD1 PHE A 88 -3.360 -3.428 -0.517 1.00 3.44 C ATOM 1358 CD2 PHE A 88 -3.437 -4.236 -2.758 1.00 21.03 C ATOM 1359 CE1 PHE A 88 -2.614 -4.527 -0.142 1.00 3.41 C ATOM 1360 CE2 PHE A 88 -2.692 -5.339 -2.390 1.00 22.10 C ATOM 1361 CZ PHE A 88 -2.280 -5.484 -1.080 1.00 54.11 C ATOM 0 H PHE A 88 -5.624 0.127 -2.667 1.00 12.42 H new ATOM 0 HA PHE A 88 -3.244 -0.609 -1.411 1.00 63.43 H new ATOM 0 HB2 PHE A 88 -5.379 -1.915 -1.494 1.00 12.33 H new ATOM 0 HB3 PHE A 88 -5.074 -2.275 -3.182 1.00 12.33 H new ATOM 0 HD1 PHE A 88 -3.619 -2.682 0.220 1.00 3.44 H new ATOM 0 HD2 PHE A 88 -3.756 -4.125 -3.784 1.00 21.03 H new ATOM 0 HE1 PHE A 88 -2.292 -4.638 0.883 1.00 3.41 H new ATOM 0 HE2 PHE A 88 -2.432 -6.086 -3.125 1.00 22.10 H new ATOM 0 HZ PHE A 88 -1.697 -6.345 -0.789 1.00 54.11 H new ATOM 1371 N SER A 89 -3.084 -0.577 -4.681 1.00 14.24 N ATOM 1372 CA SER A 89 -2.198 -0.746 -5.826 1.00 43.04 C ATOM 1373 C SER A 89 -0.931 0.095 -5.674 1.00 10.31 C ATOM 1374 O SER A 89 0.134 -0.278 -6.166 1.00 1.31 O ATOM 1375 CB SER A 89 -2.921 -0.376 -7.128 1.00 61.30 C ATOM 1376 OG SER A 89 -2.103 -0.629 -8.261 1.00 23.52 O ATOM 0 H SER A 89 -3.987 -0.158 -4.904 1.00 14.24 H new ATOM 0 HA SER A 89 -1.909 -1.796 -5.868 1.00 43.04 H new ATOM 0 HB2 SER A 89 -3.845 -0.948 -7.209 1.00 61.30 H new ATOM 0 HB3 SER A 89 -3.199 0.678 -7.105 1.00 61.30 H new ATOM 0 HG SER A 89 -2.589 -0.386 -9.076 1.00 23.52 H new ATOM 1382 N ILE A 90 -1.043 1.226 -4.989 1.00 10.42 N ATOM 1383 CA ILE A 90 0.096 2.113 -4.814 1.00 25.32 C ATOM 1384 C ILE A 90 0.749 1.898 -3.444 1.00 65.54 C ATOM 1385 O ILE A 90 1.953 2.093 -3.278 1.00 1.42 O ATOM 1386 CB ILE A 90 -0.316 3.599 -4.999 1.00 2.53 C ATOM 1387 CG1 ILE A 90 0.914 4.508 -5.016 1.00 74.13 C ATOM 1388 CG2 ILE A 90 -1.282 4.040 -3.908 1.00 13.55 C ATOM 1389 CD1 ILE A 90 0.599 5.945 -5.371 1.00 33.10 C ATOM 0 H ILE A 90 -1.905 1.548 -4.549 1.00 10.42 H new ATOM 0 HA ILE A 90 0.828 1.870 -5.584 1.00 25.32 H new ATOM 0 HB ILE A 90 -0.823 3.684 -5.960 1.00 2.53 H new ATOM 0 HG12 ILE A 90 1.390 4.480 -4.036 1.00 74.13 H new ATOM 0 HG13 ILE A 90 1.636 4.115 -5.732 1.00 74.13 H new ATOM 0 HG21 ILE A 90 -1.553 5.084 -4.063 1.00 13.55 H new ATOM 0 HG22 ILE A 90 -2.179 3.423 -3.945 1.00 13.55 H new ATOM 0 HG23 ILE A 90 -0.806 3.929 -2.934 1.00 13.55 H new ATOM 0 HD11 ILE A 90 1.518 6.531 -5.364 1.00 33.10 H new ATOM 0 HD12 ILE A 90 0.151 5.985 -6.364 1.00 33.10 H new ATOM 0 HD13 ILE A 90 -0.099 6.355 -4.641 1.00 33.10 H new ATOM 1401 N ALA A 91 -0.045 1.442 -2.483 1.00 72.04 N ATOM 1402 CA ALA A 91 0.429 1.257 -1.115 1.00 20.24 C ATOM 1403 C ALA A 91 1.171 -0.063 -0.942 1.00 31.21 C ATOM 1404 O ALA A 91 1.995 -0.203 -0.037 1.00 1.11 O ATOM 1405 CB ALA A 91 -0.734 1.326 -0.138 1.00 22.04 C ATOM 0 H ALA A 91 -1.024 1.192 -2.626 1.00 72.04 H new ATOM 0 HA ALA A 91 1.130 2.064 -0.904 1.00 20.24 H new ATOM 0 HB1 ALA A 91 -0.365 1.186 0.878 1.00 22.04 H new ATOM 0 HB2 ALA A 91 -1.219 2.299 -0.217 1.00 22.04 H new ATOM 0 HB3 ALA A 91 -1.454 0.542 -0.373 1.00 22.04 H new ATOM 1411 N MET A 92 0.882 -1.028 -1.812 1.00 74.13 N ATOM 1412 CA MET A 92 1.477 -2.362 -1.712 1.00 42.41 C ATOM 1413 C MET A 92 3.006 -2.299 -1.738 1.00 73.43 C ATOM 1414 O MET A 92 3.675 -3.040 -1.019 1.00 62.22 O ATOM 1415 CB MET A 92 0.979 -3.274 -2.841 1.00 64.13 C ATOM 1416 CG MET A 92 1.384 -2.808 -4.229 1.00 54.30 C ATOM 1417 SD MET A 92 1.040 -4.030 -5.505 1.00 22.31 S ATOM 1418 CE MET A 92 1.701 -3.184 -6.937 1.00 54.12 C ATOM 0 H MET A 92 0.239 -0.913 -2.595 1.00 74.13 H new ATOM 0 HA MET A 92 1.164 -2.779 -0.755 1.00 42.41 H new ATOM 0 HB2 MET A 92 1.364 -4.281 -2.679 1.00 64.13 H new ATOM 0 HB3 MET A 92 -0.108 -3.337 -2.792 1.00 64.13 H new ATOM 0 HG2 MET A 92 0.856 -1.884 -4.465 1.00 54.30 H new ATOM 0 HG3 MET A 92 2.449 -2.576 -4.233 1.00 54.30 H new ATOM 0 HE1 MET A 92 1.051 -3.358 -7.794 1.00 54.12 H new ATOM 0 HE2 MET A 92 1.756 -2.114 -6.734 1.00 54.12 H new ATOM 0 HE3 MET A 92 2.699 -3.564 -7.156 1.00 54.12 H new ATOM 1428 N LYS A 93 3.561 -1.409 -2.556 1.00 11.42 N ATOM 1429 CA LYS A 93 5.010 -1.310 -2.672 1.00 32.24 C ATOM 1430 C LYS A 93 5.582 -0.406 -1.586 1.00 25.30 C ATOM 1431 O LYS A 93 6.781 -0.440 -1.312 1.00 2.43 O ATOM 1432 CB LYS A 93 5.433 -0.835 -4.069 1.00 30.20 C ATOM 1433 CG LYS A 93 4.848 0.501 -4.495 1.00 23.54 C ATOM 1434 CD LYS A 93 5.360 0.906 -5.873 1.00 55.24 C ATOM 1435 CE LYS A 93 6.865 1.133 -5.866 1.00 30.42 C ATOM 1436 NZ LYS A 93 7.409 1.363 -7.232 1.00 62.44 N ATOM 0 H LYS A 93 3.038 -0.756 -3.139 1.00 11.42 H new ATOM 0 HA LYS A 93 5.422 -2.309 -2.531 1.00 32.24 H new ATOM 0 HB2 LYS A 93 6.520 -0.765 -4.099 1.00 30.20 H new ATOM 0 HB3 LYS A 93 5.142 -1.592 -4.798 1.00 30.20 H new ATOM 0 HG2 LYS A 93 3.760 0.437 -4.511 1.00 23.54 H new ATOM 0 HG3 LYS A 93 5.111 1.267 -3.765 1.00 23.54 H new ATOM 0 HD2 LYS A 93 5.112 0.130 -6.597 1.00 55.24 H new ATOM 0 HD3 LYS A 93 4.855 1.816 -6.196 1.00 55.24 H new ATOM 0 HE2 LYS A 93 7.098 1.991 -5.236 1.00 30.42 H new ATOM 0 HE3 LYS A 93 7.358 0.268 -5.422 1.00 30.42 H new ATOM 0 HZ1 LYS A 93 8.424 1.579 -7.169 1.00 62.44 H new ATOM 0 HZ2 LYS A 93 7.272 0.508 -7.809 1.00 62.44 H new ATOM 0 HZ3 LYS A 93 6.911 2.162 -7.674 1.00 62.44 H new ATOM 1450 N LEU A 94 4.720 0.379 -0.948 1.00 54.24 N ATOM 1451 CA LEU A 94 5.134 1.188 0.185 1.00 4.22 C ATOM 1452 C LEU A 94 5.412 0.293 1.377 1.00 71.33 C ATOM 1453 O LEU A 94 6.382 0.495 2.101 1.00 24.42 O ATOM 1454 CB LEU A 94 4.070 2.222 0.549 1.00 4.54 C ATOM 1455 CG LEU A 94 4.538 3.669 0.448 1.00 21.44 C ATOM 1456 CD1 LEU A 94 4.915 4.014 -0.986 1.00 13.33 C ATOM 1457 CD2 LEU A 94 3.466 4.616 0.966 1.00 54.13 C ATOM 0 H LEU A 94 3.735 0.470 -1.197 1.00 54.24 H new ATOM 0 HA LEU A 94 6.042 1.723 -0.093 1.00 4.22 H new ATOM 0 HB2 LEU A 94 3.209 2.085 -0.105 1.00 4.54 H new ATOM 0 HB3 LEU A 94 3.730 2.033 1.567 1.00 4.54 H new ATOM 0 HG LEU A 94 5.426 3.785 1.070 1.00 21.44 H new ATOM 0 HD11 LEU A 94 5.246 5.051 -1.036 1.00 13.33 H new ATOM 0 HD12 LEU A 94 5.721 3.359 -1.318 1.00 13.33 H new ATOM 0 HD13 LEU A 94 4.048 3.879 -1.633 1.00 13.33 H new ATOM 0 HD21 LEU A 94 3.819 5.644 0.886 1.00 54.13 H new ATOM 0 HD22 LEU A 94 2.558 4.497 0.374 1.00 54.13 H new ATOM 0 HD23 LEU A 94 3.251 4.387 2.010 1.00 54.13 H new ATOM 1469 N ILE A 95 4.553 -0.701 1.570 1.00 33.12 N ATOM 1470 CA ILE A 95 4.756 -1.692 2.616 1.00 24.33 C ATOM 1471 C ILE A 95 6.064 -2.435 2.362 1.00 43.43 C ATOM 1472 O ILE A 95 6.846 -2.686 3.280 1.00 21.12 O ATOM 1473 CB ILE A 95 3.594 -2.715 2.666 1.00 63.13 C ATOM 1474 CG1 ILE A 95 2.256 -2.008 2.910 1.00 1.33 C ATOM 1475 CG2 ILE A 95 3.840 -3.767 3.744 1.00 24.40 C ATOM 1476 CD1 ILE A 95 2.133 -1.389 4.288 1.00 30.24 C ATOM 0 H ILE A 95 3.709 -0.841 1.015 1.00 33.12 H new ATOM 0 HA ILE A 95 4.792 -1.169 3.572 1.00 24.33 H new ATOM 0 HB ILE A 95 3.549 -3.217 1.699 1.00 63.13 H new ATOM 0 HG12 ILE A 95 2.125 -1.229 2.159 1.00 1.33 H new ATOM 0 HG13 ILE A 95 1.446 -2.724 2.770 1.00 1.33 H new ATOM 0 HG21 ILE A 95 3.010 -4.473 3.759 1.00 24.40 H new ATOM 0 HG22 ILE A 95 4.766 -4.300 3.528 1.00 24.40 H new ATOM 0 HG23 ILE A 95 3.920 -3.280 4.716 1.00 24.40 H new ATOM 0 HD11 ILE A 95 1.160 -0.908 4.385 1.00 30.24 H new ATOM 0 HD12 ILE A 95 2.231 -2.166 5.046 1.00 30.24 H new ATOM 0 HD13 ILE A 95 2.920 -0.647 4.425 1.00 30.24 H new ATOM 1488 N LYS A 96 6.298 -2.742 1.091 1.00 65.03 N ATOM 1489 CA LYS A 96 7.482 -3.476 0.665 1.00 12.11 C ATOM 1490 C LYS A 96 8.759 -2.714 1.029 1.00 65.25 C ATOM 1491 O LYS A 96 9.682 -3.285 1.607 1.00 15.40 O ATOM 1492 CB LYS A 96 7.405 -3.731 -0.846 1.00 42.33 C ATOM 1493 CG LYS A 96 8.449 -4.702 -1.381 1.00 62.12 C ATOM 1494 CD LYS A 96 9.707 -3.991 -1.858 1.00 70.01 C ATOM 1495 CE LYS A 96 10.645 -4.954 -2.567 1.00 72.44 C ATOM 1496 NZ LYS A 96 11.837 -4.269 -3.135 1.00 72.24 N ATOM 0 H LYS A 96 5.671 -2.488 0.327 1.00 65.03 H new ATOM 0 HA LYS A 96 7.515 -4.433 1.186 1.00 12.11 H new ATOM 0 HB2 LYS A 96 6.414 -4.116 -1.086 1.00 42.33 H new ATOM 0 HB3 LYS A 96 7.512 -2.780 -1.367 1.00 42.33 H new ATOM 0 HG2 LYS A 96 8.712 -5.416 -0.601 1.00 62.12 H new ATOM 0 HG3 LYS A 96 8.022 -5.273 -2.205 1.00 62.12 H new ATOM 0 HD2 LYS A 96 9.436 -3.179 -2.533 1.00 70.01 H new ATOM 0 HD3 LYS A 96 10.218 -3.540 -1.007 1.00 70.01 H new ATOM 0 HE2 LYS A 96 10.971 -5.722 -1.866 1.00 72.44 H new ATOM 0 HE3 LYS A 96 10.105 -5.461 -3.367 1.00 72.44 H new ATOM 0 HZ1 LYS A 96 12.446 -4.967 -3.608 1.00 72.24 H new ATOM 0 HZ2 LYS A 96 11.530 -3.553 -3.824 1.00 72.24 H new ATOM 0 HZ3 LYS A 96 12.369 -3.807 -2.370 1.00 72.24 H new ATOM 1510 N LEU A 97 8.799 -1.421 0.711 1.00 44.10 N ATOM 1511 CA LEU A 97 9.982 -0.610 0.993 1.00 54.52 C ATOM 1512 C LEU A 97 10.057 -0.245 2.475 1.00 52.11 C ATOM 1513 O LEU A 97 11.136 -0.002 3.013 1.00 13.31 O ATOM 1514 CB LEU A 97 10.012 0.649 0.105 1.00 42.40 C ATOM 1515 CG LEU A 97 8.781 1.568 0.162 1.00 64.44 C ATOM 1516 CD1 LEU A 97 8.859 2.530 1.343 1.00 72.24 C ATOM 1517 CD2 LEU A 97 8.639 2.338 -1.145 1.00 71.31 C ATOM 0 H LEU A 97 8.034 -0.917 0.262 1.00 44.10 H new ATOM 0 HA LEU A 97 10.863 -1.206 0.754 1.00 54.52 H new ATOM 0 HB2 LEU A 97 10.888 1.237 0.379 1.00 42.40 H new ATOM 0 HB3 LEU A 97 10.152 0.332 -0.929 1.00 42.40 H new ATOM 0 HG LEU A 97 7.899 0.943 0.302 1.00 64.44 H new ATOM 0 HD11 LEU A 97 7.973 3.165 1.354 1.00 72.24 H new ATOM 0 HD12 LEU A 97 8.910 1.962 2.272 1.00 72.24 H new ATOM 0 HD13 LEU A 97 9.750 3.151 1.248 1.00 72.24 H new ATOM 0 HD21 LEU A 97 7.764 2.985 -1.093 1.00 71.31 H new ATOM 0 HD22 LEU A 97 9.530 2.945 -1.309 1.00 71.31 H new ATOM 0 HD23 LEU A 97 8.522 1.636 -1.970 1.00 71.31 H new ATOM 1529 N LYS A 98 8.909 -0.228 3.139 1.00 70.32 N ATOM 1530 CA LYS A 98 8.857 0.083 4.560 1.00 72.53 C ATOM 1531 C LYS A 98 9.453 -1.061 5.372 1.00 15.41 C ATOM 1532 O LYS A 98 10.128 -0.836 6.376 1.00 4.24 O ATOM 1533 CB LYS A 98 7.416 0.356 4.993 1.00 75.24 C ATOM 1534 CG LYS A 98 7.273 0.765 6.449 1.00 73.53 C ATOM 1535 CD LYS A 98 7.963 2.091 6.746 1.00 10.32 C ATOM 1536 CE LYS A 98 7.349 3.237 5.961 1.00 14.00 C ATOM 1537 NZ LYS A 98 8.129 4.489 6.124 1.00 2.25 N ATOM 0 H LYS A 98 8.002 -0.426 2.716 1.00 70.32 H new ATOM 0 HA LYS A 98 9.446 0.981 4.743 1.00 72.53 H new ATOM 0 HB2 LYS A 98 7.002 1.143 4.363 1.00 75.24 H new ATOM 0 HB3 LYS A 98 6.819 -0.539 4.818 1.00 75.24 H new ATOM 0 HG2 LYS A 98 6.215 0.844 6.700 1.00 73.53 H new ATOM 0 HG3 LYS A 98 7.695 -0.013 7.086 1.00 73.53 H new ATOM 0 HD2 LYS A 98 7.896 2.304 7.813 1.00 10.32 H new ATOM 0 HD3 LYS A 98 9.023 2.011 6.503 1.00 10.32 H new ATOM 0 HE2 LYS A 98 7.302 2.972 4.905 1.00 14.00 H new ATOM 0 HE3 LYS A 98 6.324 3.400 6.295 1.00 14.00 H new ATOM 0 HZ1 LYS A 98 7.523 5.306 5.909 1.00 2.25 H new ATOM 0 HZ2 LYS A 98 8.471 4.560 7.104 1.00 2.25 H new ATOM 0 HZ3 LYS A 98 8.941 4.479 5.474 1.00 2.25 H new ATOM 1551 N LEU A 99 9.207 -2.287 4.920 1.00 22.51 N ATOM 1552 CA LEU A 99 9.808 -3.469 5.526 1.00 4.31 C ATOM 1553 C LEU A 99 11.323 -3.458 5.336 1.00 52.42 C ATOM 1554 O LEU A 99 12.061 -4.115 6.074 1.00 11.43 O ATOM 1555 CB LEU A 99 9.214 -4.741 4.913 1.00 41.14 C ATOM 1556 CG LEU A 99 7.777 -5.063 5.326 1.00 51.14 C ATOM 1557 CD1 LEU A 99 7.230 -6.217 4.498 1.00 42.21 C ATOM 1558 CD2 LEU A 99 7.719 -5.402 6.806 1.00 21.13 C ATOM 0 H LEU A 99 8.592 -2.488 4.131 1.00 22.51 H new ATOM 0 HA LEU A 99 9.590 -3.455 6.594 1.00 4.31 H new ATOM 0 HB2 LEU A 99 9.250 -4.651 3.827 1.00 41.14 H new ATOM 0 HB3 LEU A 99 9.849 -5.585 5.184 1.00 41.14 H new ATOM 0 HG LEU A 99 7.159 -4.184 5.144 1.00 51.14 H new ATOM 0 HD11 LEU A 99 6.207 -6.432 4.805 1.00 42.21 H new ATOM 0 HD12 LEU A 99 7.242 -5.945 3.442 1.00 42.21 H new ATOM 0 HD13 LEU A 99 7.849 -7.101 4.652 1.00 42.21 H new ATOM 0 HD21 LEU A 99 6.691 -5.629 7.087 1.00 21.13 H new ATOM 0 HD22 LEU A 99 8.350 -6.268 7.006 1.00 21.13 H new ATOM 0 HD23 LEU A 99 8.075 -4.552 7.388 1.00 21.13 H new ATOM 1570 N GLN A 100 11.783 -2.707 4.342 1.00 64.44 N ATOM 1571 CA GLN A 100 13.207 -2.604 4.063 1.00 25.04 C ATOM 1572 C GLN A 100 13.817 -1.426 4.819 1.00 21.53 C ATOM 1573 O GLN A 100 15.039 -1.298 4.902 1.00 61.34 O ATOM 1574 CB GLN A 100 13.454 -2.462 2.559 1.00 44.32 C ATOM 1575 CG GLN A 100 12.765 -3.534 1.728 1.00 34.13 C ATOM 1576 CD GLN A 100 13.091 -4.939 2.197 1.00 1.54 C ATOM 1577 OE1 GLN A 100 14.193 -5.210 2.679 1.00 50.22 O ATOM 1578 NE2 GLN A 100 12.125 -5.835 2.079 1.00 71.12 N ATOM 0 H GLN A 100 11.189 -2.161 3.717 1.00 64.44 H new ATOM 0 HA GLN A 100 13.690 -3.520 4.404 1.00 25.04 H new ATOM 0 HB2 GLN A 100 13.107 -1.482 2.233 1.00 44.32 H new ATOM 0 HB3 GLN A 100 14.527 -2.500 2.370 1.00 44.32 H new ATOM 0 HG2 GLN A 100 11.686 -3.383 1.770 1.00 34.13 H new ATOM 0 HG3 GLN A 100 13.062 -3.426 0.685 1.00 34.13 H new ATOM 0 HE21 GLN A 100 11.228 -5.567 1.674 1.00 71.12 H new ATOM 0 HE22 GLN A 100 12.277 -6.793 2.393 1.00 71.12 H new ATOM 1587 N GLY A 101 12.959 -0.573 5.368 1.00 22.22 N ATOM 1588 CA GLY A 101 13.427 0.519 6.199 1.00 42.22 C ATOM 1589 C GLY A 101 13.438 1.863 5.490 1.00 64.30 C ATOM 1590 O GLY A 101 14.087 2.800 5.950 1.00 32.52 O ATOM 0 H GLY A 101 11.947 -0.619 5.252 1.00 22.22 H new ATOM 0 HA2 GLY A 101 12.793 0.589 7.083 1.00 42.22 H new ATOM 0 HA3 GLY A 101 14.435 0.293 6.547 1.00 42.22 H new ATOM 1594 N TYR A 102 12.719 1.972 4.380 1.00 60.11 N ATOM 1595 CA TYR A 102 12.666 3.230 3.646 1.00 74.53 C ATOM 1596 C TYR A 102 11.574 4.139 4.197 1.00 14.01 C ATOM 1597 O TYR A 102 10.626 3.684 4.848 1.00 1.44 O ATOM 1598 CB TYR A 102 12.455 2.988 2.151 1.00 42.04 C ATOM 1599 CG TYR A 102 13.634 2.315 1.484 1.00 3.00 C ATOM 1600 CD1 TYR A 102 13.741 0.932 1.440 1.00 70.13 C ATOM 1601 CD2 TYR A 102 14.650 3.069 0.915 1.00 60.54 C ATOM 1602 CE1 TYR A 102 14.824 0.319 0.841 1.00 51.03 C ATOM 1603 CE2 TYR A 102 15.739 2.462 0.316 1.00 75.34 C ATOM 1604 CZ TYR A 102 15.821 1.087 0.283 1.00 32.33 C ATOM 1605 OH TYR A 102 16.906 0.476 -0.303 1.00 52.13 O ATOM 0 H TYR A 102 12.171 1.215 3.972 1.00 60.11 H new ATOM 0 HA TYR A 102 13.626 3.729 3.778 1.00 74.53 H new ATOM 0 HB2 TYR A 102 11.567 2.372 2.011 1.00 42.04 H new ATOM 0 HB3 TYR A 102 12.263 3.941 1.659 1.00 42.04 H new ATOM 0 HD1 TYR A 102 12.964 0.325 1.882 1.00 70.13 H new ATOM 0 HD2 TYR A 102 14.590 4.147 0.940 1.00 60.54 H new ATOM 0 HE1 TYR A 102 14.888 -0.759 0.810 1.00 51.03 H new ATOM 0 HE2 TYR A 102 16.521 3.063 -0.124 1.00 75.34 H new ATOM 0 HH TYR A 102 17.518 1.158 -0.650 1.00 52.13 H new ATOM 1615 N GLN A 103 11.706 5.423 3.921 1.00 25.15 N ATOM 1616 CA GLN A 103 10.827 6.429 4.494 1.00 32.30 C ATOM 1617 C GLN A 103 10.395 7.438 3.437 1.00 30.45 C ATOM 1618 O GLN A 103 11.156 7.761 2.525 1.00 42.35 O ATOM 1619 CB GLN A 103 11.544 7.156 5.635 1.00 22.45 C ATOM 1620 CG GLN A 103 10.701 8.226 6.308 1.00 2.32 C ATOM 1621 CD GLN A 103 11.520 9.143 7.191 1.00 54.22 C ATOM 1622 OE1 GLN A 103 12.039 10.161 6.730 1.00 14.32 O ATOM 1623 NE2 GLN A 103 11.642 8.795 8.461 1.00 2.02 N ATOM 0 H GLN A 103 12.421 5.798 3.297 1.00 25.15 H new ATOM 0 HA GLN A 103 9.939 5.928 4.880 1.00 32.30 H new ATOM 0 HB2 GLN A 103 11.851 6.425 6.383 1.00 22.45 H new ATOM 0 HB3 GLN A 103 12.453 7.615 5.246 1.00 22.45 H new ATOM 0 HG2 GLN A 103 10.196 8.818 5.545 1.00 2.32 H new ATOM 0 HG3 GLN A 103 9.925 7.749 6.907 1.00 2.32 H new ATOM 0 HE21 GLN A 103 11.196 7.943 8.802 1.00 2.02 H new ATOM 0 HE22 GLN A 103 12.182 9.378 9.100 1.00 2.02 H new ATOM 1632 N LEU A 104 9.170 7.921 3.565 1.00 24.31 N ATOM 1633 CA LEU A 104 8.664 8.998 2.731 1.00 11.43 C ATOM 1634 C LEU A 104 7.612 9.767 3.522 1.00 12.15 C ATOM 1635 O LEU A 104 6.893 9.172 4.327 1.00 53.13 O ATOM 1636 CB LEU A 104 8.090 8.475 1.399 1.00 0.13 C ATOM 1637 CG LEU A 104 6.844 7.583 1.483 1.00 64.01 C ATOM 1638 CD1 LEU A 104 6.216 7.440 0.106 1.00 32.41 C ATOM 1639 CD2 LEU A 104 7.181 6.206 2.041 1.00 71.12 C ATOM 0 H LEU A 104 8.498 7.577 4.251 1.00 24.31 H new ATOM 0 HA LEU A 104 9.487 9.662 2.467 1.00 11.43 H new ATOM 0 HB2 LEU A 104 7.851 9.334 0.772 1.00 0.13 H new ATOM 0 HB3 LEU A 104 8.874 7.916 0.888 1.00 0.13 H new ATOM 0 HG LEU A 104 6.136 8.059 2.162 1.00 64.01 H new ATOM 0 HD11 LEU A 104 5.332 6.806 0.173 1.00 32.41 H new ATOM 0 HD12 LEU A 104 5.929 8.423 -0.267 1.00 32.41 H new ATOM 0 HD13 LEU A 104 6.936 6.988 -0.577 1.00 32.41 H new ATOM 0 HD21 LEU A 104 6.276 5.600 2.087 1.00 71.12 H new ATOM 0 HD22 LEU A 104 7.911 5.720 1.394 1.00 71.12 H new ATOM 0 HD23 LEU A 104 7.598 6.311 3.043 1.00 71.12 H new ATOM 1651 N PRO A 105 7.535 11.094 3.337 1.00 24.14 N ATOM 1652 CA PRO A 105 6.629 11.956 4.102 1.00 2.22 C ATOM 1653 C PRO A 105 5.185 11.871 3.622 1.00 21.33 C ATOM 1654 O PRO A 105 4.839 11.013 2.819 1.00 33.33 O ATOM 1655 CB PRO A 105 7.186 13.373 3.873 1.00 74.23 C ATOM 1656 CG PRO A 105 8.421 13.211 3.042 1.00 65.51 C ATOM 1657 CD PRO A 105 8.322 11.869 2.378 1.00 1.31 C ATOM 0 HA PRO A 105 6.595 11.662 5.151 1.00 2.22 H new ATOM 0 HB2 PRO A 105 6.455 14.000 3.364 1.00 74.23 H new ATOM 0 HB3 PRO A 105 7.417 13.858 4.822 1.00 74.23 H new ATOM 0 HG2 PRO A 105 8.495 14.006 2.299 1.00 65.51 H new ATOM 0 HG3 PRO A 105 9.315 13.271 3.662 1.00 65.51 H new ATOM 0 HD2 PRO A 105 7.830 11.933 1.408 1.00 1.31 H new ATOM 0 HD3 PRO A 105 9.304 11.427 2.209 1.00 1.31 H new ATOM 1665 N SER A 106 4.355 12.793 4.106 1.00 44.12 N ATOM 1666 CA SER A 106 2.932 12.804 3.792 1.00 45.12 C ATOM 1667 C SER A 106 2.687 13.312 2.375 1.00 43.44 C ATOM 1668 O SER A 106 1.551 13.379 1.905 1.00 62.13 O ATOM 1669 CB SER A 106 2.207 13.676 4.809 1.00 11.13 C ATOM 1670 OG SER A 106 2.795 14.965 4.881 1.00 52.24 O ATOM 0 H SER A 106 4.650 13.549 4.724 1.00 44.12 H new ATOM 0 HA SER A 106 2.547 11.786 3.844 1.00 45.12 H new ATOM 0 HB2 SER A 106 1.156 13.766 4.533 1.00 11.13 H new ATOM 0 HB3 SER A 106 2.240 13.202 5.790 1.00 11.13 H new ATOM 0 HG SER A 106 2.313 15.508 5.539 1.00 52.24 H new ATOM 1676 N ALA A 107 3.765 13.669 1.703 1.00 42.44 N ATOM 1677 CA ALA A 107 3.695 14.066 0.310 1.00 30.43 C ATOM 1678 C ALA A 107 4.012 12.876 -0.587 1.00 11.02 C ATOM 1679 O ALA A 107 5.180 12.575 -0.841 1.00 20.24 O ATOM 1680 CB ALA A 107 4.645 15.220 0.025 1.00 12.33 C ATOM 0 H ALA A 107 4.704 13.692 2.102 1.00 42.44 H new ATOM 0 HA ALA A 107 2.682 14.407 0.098 1.00 30.43 H new ATOM 0 HB1 ALA A 107 4.574 15.499 -1.026 1.00 12.33 H new ATOM 0 HB2 ALA A 107 4.376 16.074 0.646 1.00 12.33 H new ATOM 0 HB3 ALA A 107 5.667 14.914 0.251 1.00 12.33 H new ATOM 1686 N LEU A 108 2.966 12.178 -1.027 1.00 3.53 N ATOM 1687 CA LEU A 108 3.119 11.028 -1.897 1.00 15.45 C ATOM 1688 C LEU A 108 3.743 11.480 -3.222 1.00 51.13 C ATOM 1689 O LEU A 108 3.412 12.557 -3.723 1.00 23.14 O ATOM 1690 CB LEU A 108 1.729 10.413 -2.117 1.00 14.33 C ATOM 1691 CG LEU A 108 1.700 8.952 -2.549 1.00 31.44 C ATOM 1692 CD1 LEU A 108 2.273 8.052 -1.466 1.00 62.25 C ATOM 1693 CD2 LEU A 108 0.283 8.534 -2.901 1.00 24.13 C ATOM 0 H LEU A 108 1.999 12.397 -0.789 1.00 3.53 H new ATOM 0 HA LEU A 108 3.776 10.280 -1.453 1.00 15.45 H new ATOM 0 HB2 LEU A 108 1.162 10.508 -1.191 1.00 14.33 H new ATOM 0 HB3 LEU A 108 1.209 11.004 -2.871 1.00 14.33 H new ATOM 0 HG LEU A 108 2.324 8.846 -3.436 1.00 31.44 H new ATOM 0 HD11 LEU A 108 2.240 7.015 -1.800 1.00 62.25 H new ATOM 0 HD12 LEU A 108 3.306 8.336 -1.265 1.00 62.25 H new ATOM 0 HD13 LEU A 108 1.684 8.159 -0.555 1.00 62.25 H new ATOM 0 HD21 LEU A 108 0.278 7.488 -3.208 1.00 24.13 H new ATOM 0 HD22 LEU A 108 -0.360 8.660 -2.030 1.00 24.13 H new ATOM 0 HD23 LEU A 108 -0.087 9.154 -3.718 1.00 24.13 H new ATOM 1705 N PRO A 109 4.647 10.680 -3.811 1.00 23.30 N ATOM 1706 CA PRO A 109 5.385 11.090 -5.009 1.00 71.35 C ATOM 1707 C PRO A 109 4.475 11.308 -6.214 1.00 42.21 C ATOM 1708 O PRO A 109 3.438 10.656 -6.353 1.00 53.31 O ATOM 1709 CB PRO A 109 6.344 9.917 -5.265 1.00 31.14 C ATOM 1710 CG PRO A 109 6.399 9.175 -3.972 1.00 51.42 C ATOM 1711 CD PRO A 109 5.047 9.345 -3.347 1.00 2.31 C ATOM 0 HA PRO A 109 5.890 12.045 -4.862 1.00 71.35 H new ATOM 0 HB2 PRO A 109 5.981 9.279 -6.071 1.00 31.14 H new ATOM 0 HB3 PRO A 109 7.332 10.272 -5.559 1.00 31.14 H new ATOM 0 HG2 PRO A 109 6.625 8.121 -4.135 1.00 51.42 H new ATOM 0 HG3 PRO A 109 7.182 9.573 -3.326 1.00 51.42 H new ATOM 0 HD2 PRO A 109 4.349 8.575 -3.675 1.00 2.31 H new ATOM 0 HD3 PRO A 109 5.093 9.290 -2.259 1.00 2.31 H new ATOM 1719 N PRO A 110 4.876 12.206 -7.124 1.00 11.02 N ATOM 1720 CA PRO A 110 4.102 12.529 -8.322 1.00 42.32 C ATOM 1721 C PRO A 110 4.240 11.456 -9.394 1.00 73.32 C ATOM 1722 O PRO A 110 3.357 11.273 -10.229 1.00 60.21 O ATOM 1723 CB PRO A 110 4.710 13.857 -8.810 1.00 12.03 C ATOM 1724 CG PRO A 110 5.710 14.263 -7.775 1.00 22.00 C ATOM 1725 CD PRO A 110 6.099 13.010 -7.047 1.00 4.41 C ATOM 0 HA PRO A 110 3.035 12.595 -8.110 1.00 42.32 H new ATOM 0 HB2 PRO A 110 5.185 13.733 -9.783 1.00 12.03 H new ATOM 0 HB3 PRO A 110 3.939 14.619 -8.926 1.00 12.03 H new ATOM 0 HG2 PRO A 110 6.580 14.729 -8.237 1.00 22.00 H new ATOM 0 HG3 PRO A 110 5.283 14.994 -7.089 1.00 22.00 H new ATOM 0 HD2 PRO A 110 6.944 12.510 -7.522 1.00 4.41 H new ATOM 0 HD3 PRO A 110 6.387 13.213 -6.016 1.00 4.41 H new ATOM 1733 N VAL A 111 5.347 10.732 -9.349 1.00 55.01 N ATOM 1734 CA VAL A 111 5.630 9.712 -10.347 1.00 72.11 C ATOM 1735 C VAL A 111 4.842 8.438 -10.057 1.00 13.31 C ATOM 1736 O VAL A 111 4.590 7.635 -10.952 1.00 3.41 O ATOM 1737 CB VAL A 111 7.138 9.380 -10.393 1.00 3.01 C ATOM 1738 CG1 VAL A 111 7.480 8.560 -11.629 1.00 62.54 C ATOM 1739 CG2 VAL A 111 7.967 10.655 -10.345 1.00 55.02 C ATOM 0 H VAL A 111 6.065 10.832 -8.631 1.00 55.01 H new ATOM 0 HA VAL A 111 5.327 10.111 -11.315 1.00 72.11 H new ATOM 0 HB VAL A 111 7.379 8.779 -9.516 1.00 3.01 H new ATOM 0 HG11 VAL A 111 8.548 8.340 -11.636 1.00 62.54 H new ATOM 0 HG12 VAL A 111 6.918 7.626 -11.613 1.00 62.54 H new ATOM 0 HG13 VAL A 111 7.220 9.125 -12.524 1.00 62.54 H new ATOM 0 HG21 VAL A 111 9.027 10.402 -10.378 1.00 55.02 H new ATOM 0 HG22 VAL A 111 7.717 11.284 -11.200 1.00 55.02 H new ATOM 0 HG23 VAL A 111 7.752 11.194 -9.423 1.00 55.02 H new ATOM 1749 N MET A 112 4.440 8.268 -8.802 1.00 21.24 N ATOM 1750 CA MET A 112 3.689 7.083 -8.407 1.00 22.41 C ATOM 1751 C MET A 112 2.204 7.254 -8.702 1.00 30.43 C ATOM 1752 O MET A 112 1.532 6.303 -9.089 1.00 25.32 O ATOM 1753 CB MET A 112 3.899 6.769 -6.926 1.00 73.14 C ATOM 1754 CG MET A 112 5.328 6.383 -6.590 1.00 51.11 C ATOM 1755 SD MET A 112 5.510 5.784 -4.900 1.00 53.33 S ATOM 1756 CE MET A 112 4.494 4.311 -4.955 1.00 45.41 C ATOM 0 H MET A 112 4.620 8.930 -8.047 1.00 21.24 H new ATOM 0 HA MET A 112 4.064 6.245 -8.994 1.00 22.41 H new ATOM 0 HB2 MET A 112 3.616 7.639 -6.334 1.00 73.14 H new ATOM 0 HB3 MET A 112 3.233 5.956 -6.636 1.00 73.14 H new ATOM 0 HG2 MET A 112 5.663 5.611 -7.282 1.00 51.11 H new ATOM 0 HG3 MET A 112 5.977 7.246 -6.737 1.00 51.11 H new ATOM 0 HE1 MET A 112 3.602 4.462 -4.347 1.00 45.41 H new ATOM 0 HE2 MET A 112 4.201 4.109 -5.985 1.00 45.41 H new ATOM 0 HE3 MET A 112 5.059 3.464 -4.566 1.00 45.41 H new ATOM 1766 N LYS A 113 1.691 8.465 -8.515 1.00 22.33 N ATOM 1767 CA LYS A 113 0.292 8.745 -8.832 1.00 51.13 C ATOM 1768 C LYS A 113 0.107 8.905 -10.338 1.00 4.43 C ATOM 1769 O LYS A 113 -1.000 8.736 -10.854 1.00 72.12 O ATOM 1770 CB LYS A 113 -0.205 10.007 -8.116 1.00 52.12 C ATOM 1771 CG LYS A 113 0.612 11.252 -8.431 1.00 65.44 C ATOM 1772 CD LYS A 113 -0.176 12.531 -8.189 1.00 23.52 C ATOM 1773 CE LYS A 113 -0.593 12.690 -6.735 1.00 72.12 C ATOM 1774 NZ LYS A 113 -1.239 14.010 -6.498 1.00 51.45 N ATOM 0 H LYS A 113 2.214 9.261 -8.150 1.00 22.33 H new ATOM 0 HA LYS A 113 -0.297 7.897 -8.483 1.00 51.13 H new ATOM 0 HB2 LYS A 113 -1.244 10.186 -8.393 1.00 52.12 H new ATOM 0 HB3 LYS A 113 -0.187 9.834 -7.040 1.00 52.12 H new ATOM 0 HG2 LYS A 113 1.512 11.260 -7.816 1.00 65.44 H new ATOM 0 HG3 LYS A 113 0.937 11.218 -9.471 1.00 65.44 H new ATOM 0 HD2 LYS A 113 0.428 13.388 -8.487 1.00 23.52 H new ATOM 0 HD3 LYS A 113 -1.064 12.532 -8.821 1.00 23.52 H new ATOM 0 HE2 LYS A 113 -1.283 11.891 -6.463 1.00 72.12 H new ATOM 0 HE3 LYS A 113 0.281 12.590 -6.091 1.00 72.12 H new ATOM 0 HZ1 LYS A 113 -1.512 14.088 -5.498 1.00 51.45 H new ATOM 0 HZ2 LYS A 113 -0.571 14.771 -6.735 1.00 51.45 H new ATOM 0 HZ3 LYS A 113 -2.086 14.094 -7.096 1.00 51.45 H new ATOM 1788 N GLN A 114 1.209 9.220 -11.029 1.00 3.01 N ATOM 1789 CA GLN A 114 1.191 9.498 -12.462 1.00 3.01 C ATOM 1790 C GLN A 114 0.225 10.644 -12.752 1.00 13.53 C ATOM 1791 O GLN A 114 -0.033 11.483 -11.884 1.00 65.15 O ATOM 1792 CB GLN A 114 0.796 8.246 -13.260 1.00 20.41 C ATOM 1793 CG GLN A 114 1.650 7.024 -12.955 1.00 23.11 C ATOM 1794 CD GLN A 114 1.353 5.848 -13.871 1.00 4.42 C ATOM 1795 OE1 GLN A 114 0.234 5.690 -14.369 1.00 14.15 O ATOM 1796 NE2 GLN A 114 2.352 5.004 -14.091 1.00 21.45 N ATOM 0 H GLN A 114 2.135 9.288 -10.607 1.00 3.01 H new ATOM 0 HA GLN A 114 2.194 9.789 -12.773 1.00 3.01 H new ATOM 0 HB2 GLN A 114 -0.247 8.009 -13.052 1.00 20.41 H new ATOM 0 HB3 GLN A 114 0.866 8.469 -14.325 1.00 20.41 H new ATOM 0 HG2 GLN A 114 2.703 7.291 -13.046 1.00 23.11 H new ATOM 0 HG3 GLN A 114 1.486 6.722 -11.921 1.00 23.11 H new ATOM 0 HE21 GLN A 114 3.262 5.168 -13.662 1.00 21.45 H new ATOM 0 HE22 GLN A 114 2.210 4.190 -14.690 1.00 21.45 H new ATOM 1805 N GLN A 115 -0.288 10.705 -13.970 1.00 12.24 N ATOM 1806 CA GLN A 115 -1.326 11.665 -14.292 1.00 2.25 C ATOM 1807 C GLN A 115 -2.640 10.928 -14.514 1.00 64.51 C ATOM 1808 O GLN A 115 -2.836 10.293 -15.552 1.00 44.22 O ATOM 1809 CB GLN A 115 -0.963 12.495 -15.524 1.00 23.40 C ATOM 1810 CG GLN A 115 -1.942 13.631 -15.787 1.00 41.44 C ATOM 1811 CD GLN A 115 -1.620 14.409 -17.044 1.00 3.43 C ATOM 1812 OE1 GLN A 115 -1.077 13.865 -18.006 1.00 24.15 O ATOM 1813 NE2 GLN A 115 -1.935 15.694 -17.042 1.00 2.21 N ATOM 0 H GLN A 115 -0.004 10.106 -14.745 1.00 12.24 H new ATOM 0 HA GLN A 115 -1.430 12.357 -13.456 1.00 2.25 H new ATOM 0 HB2 GLN A 115 0.038 12.908 -15.395 1.00 23.40 H new ATOM 0 HB3 GLN A 115 -0.929 11.843 -16.397 1.00 23.40 H new ATOM 0 HG2 GLN A 115 -2.950 13.224 -15.866 1.00 41.44 H new ATOM 0 HG3 GLN A 115 -1.939 14.311 -14.935 1.00 41.44 H new ATOM 0 HE21 GLN A 115 -2.384 16.108 -16.225 1.00 2.21 H new ATOM 0 HE22 GLN A 115 -1.729 16.271 -17.857 1.00 2.21 H new ATOM 1822 N PRO A 116 -3.537 10.968 -13.520 1.00 61.02 N ATOM 1823 CA PRO A 116 -4.828 10.285 -13.594 1.00 60.34 C ATOM 1824 C PRO A 116 -5.763 10.926 -14.615 1.00 14.20 C ATOM 1825 O PRO A 116 -5.586 12.087 -14.997 1.00 11.42 O ATOM 1826 CB PRO A 116 -5.395 10.437 -12.179 1.00 52.12 C ATOM 1827 CG PRO A 116 -4.732 11.653 -11.631 1.00 32.42 C ATOM 1828 CD PRO A 116 -3.361 11.689 -12.245 1.00 45.25 C ATOM 0 HA PRO A 116 -4.723 9.249 -13.915 1.00 60.34 H new ATOM 0 HB2 PRO A 116 -6.479 10.552 -12.198 1.00 52.12 H new ATOM 0 HB3 PRO A 116 -5.178 9.560 -11.570 1.00 52.12 H new ATOM 0 HG2 PRO A 116 -5.296 12.551 -11.882 1.00 32.42 H new ATOM 0 HG3 PRO A 116 -4.672 11.608 -10.544 1.00 32.42 H new ATOM 0 HD2 PRO A 116 -3.020 12.712 -12.406 1.00 45.25 H new ATOM 0 HD3 PRO A 116 -2.623 11.203 -11.607 1.00 45.25 H new ATOM 1836 N VAL A 117 -6.753 10.173 -15.066 1.00 40.32 N ATOM 1837 CA VAL A 117 -7.745 10.713 -15.979 1.00 0.34 C ATOM 1838 C VAL A 117 -8.890 11.348 -15.199 1.00 2.21 C ATOM 1839 O VAL A 117 -9.778 10.668 -14.681 1.00 71.11 O ATOM 1840 CB VAL A 117 -8.285 9.657 -16.968 1.00 74.32 C ATOM 1841 CG1 VAL A 117 -7.235 9.324 -18.018 1.00 74.43 C ATOM 1842 CG2 VAL A 117 -8.728 8.390 -16.247 1.00 53.15 C ATOM 0 H VAL A 117 -6.890 9.193 -14.817 1.00 40.32 H new ATOM 0 HA VAL A 117 -7.246 11.476 -16.576 1.00 0.34 H new ATOM 0 HB VAL A 117 -9.158 10.084 -17.462 1.00 74.32 H new ATOM 0 HG11 VAL A 117 -7.633 8.578 -18.706 1.00 74.43 H new ATOM 0 HG12 VAL A 117 -6.975 10.226 -18.571 1.00 74.43 H new ATOM 0 HG13 VAL A 117 -6.345 8.928 -17.529 1.00 74.43 H new ATOM 0 HG21 VAL A 117 -9.102 7.669 -16.974 1.00 53.15 H new ATOM 0 HG22 VAL A 117 -7.881 7.960 -15.713 1.00 53.15 H new ATOM 0 HG23 VAL A 117 -9.519 8.633 -15.537 1.00 53.15 H new ATOM 1852 N ALA A 118 -8.850 12.661 -15.101 1.00 1.24 N ATOM 1853 CA ALA A 118 -9.820 13.388 -14.307 1.00 1.14 C ATOM 1854 C ALA A 118 -10.533 14.433 -15.146 1.00 53.55 C ATOM 1855 O ALA A 118 -10.034 15.543 -15.338 1.00 12.20 O ATOM 1856 CB ALA A 118 -9.145 14.033 -13.104 1.00 13.20 C ATOM 0 H ALA A 118 -8.155 13.248 -15.562 1.00 1.24 H new ATOM 0 HA ALA A 118 -10.566 12.680 -13.947 1.00 1.14 H new ATOM 0 HB1 ALA A 118 -9.887 14.575 -12.518 1.00 13.20 H new ATOM 0 HB2 ALA A 118 -8.688 13.260 -12.486 1.00 13.20 H new ATOM 0 HB3 ALA A 118 -8.376 14.726 -13.446 1.00 13.20 H new ATOM 1862 N ILE A 119 -11.689 14.062 -15.669 1.00 32.13 N ATOM 1863 CA ILE A 119 -12.512 14.979 -16.430 1.00 31.11 C ATOM 1864 C ILE A 119 -13.856 15.126 -15.727 1.00 22.13 C ATOM 1865 O ILE A 119 -14.857 14.525 -16.123 1.00 41.34 O ATOM 1866 CB ILE A 119 -12.741 14.524 -17.898 1.00 24.52 C ATOM 1867 CG1 ILE A 119 -11.416 14.226 -18.612 1.00 31.42 C ATOM 1868 CG2 ILE A 119 -13.501 15.592 -18.669 1.00 31.13 C ATOM 1869 CD1 ILE A 119 -10.845 12.855 -18.316 1.00 54.02 C ATOM 0 H ILE A 119 -12.079 13.124 -15.578 1.00 32.13 H new ATOM 0 HA ILE A 119 -11.983 15.931 -16.478 1.00 31.11 H new ATOM 0 HB ILE A 119 -13.327 13.606 -17.866 1.00 24.52 H new ATOM 0 HG12 ILE A 119 -11.567 14.320 -19.687 1.00 31.42 H new ATOM 0 HG13 ILE A 119 -10.684 14.981 -18.326 1.00 31.42 H new ATOM 0 HG21 ILE A 119 -13.654 15.260 -19.696 1.00 31.13 H new ATOM 0 HG22 ILE A 119 -14.467 15.764 -18.195 1.00 31.13 H new ATOM 0 HG23 ILE A 119 -12.927 16.518 -18.669 1.00 31.13 H new ATOM 0 HD11 ILE A 119 -9.909 12.725 -18.860 1.00 54.02 H new ATOM 0 HD12 ILE A 119 -10.659 12.762 -17.246 1.00 54.02 H new ATOM 0 HD13 ILE A 119 -11.555 12.090 -18.629 1.00 54.02 H new ATOM 1881 N SER A 120 -13.855 15.891 -14.649 1.00 13.21 N ATOM 1882 CA SER A 120 -15.035 16.045 -13.821 1.00 13.21 C ATOM 1883 C SER A 120 -15.740 17.356 -14.148 1.00 21.02 C ATOM 1884 O SER A 120 -16.853 17.610 -13.682 1.00 63.35 O ATOM 1885 CB SER A 120 -14.636 16.003 -12.343 1.00 63.22 C ATOM 1886 OG SER A 120 -15.761 15.792 -11.505 1.00 64.44 O ATOM 0 H SER A 120 -13.043 16.418 -14.326 1.00 13.21 H new ATOM 0 HA SER A 120 -15.725 15.226 -14.023 1.00 13.21 H new ATOM 0 HB2 SER A 120 -13.909 15.207 -12.184 1.00 63.22 H new ATOM 0 HB3 SER A 120 -14.149 16.939 -12.070 1.00 63.22 H new ATOM 0 HG SER A 120 -16.519 16.318 -11.836 1.00 64.44 H new ATOM 1892 N SER A 121 -15.082 18.185 -14.948 1.00 43.41 N ATOM 1893 CA SER A 121 -15.658 19.446 -15.372 1.00 4.42 C ATOM 1894 C SER A 121 -16.550 19.240 -16.597 1.00 41.34 C ATOM 1895 O SER A 121 -17.597 18.569 -16.465 1.00 37.62 O ATOM 1896 CB SER A 121 -14.541 20.457 -15.663 1.00 41.11 C ATOM 1897 OG SER A 121 -13.521 19.886 -16.474 1.00 25.11 O ATOM 1898 OXT SER A 121 -16.206 19.741 -17.687 1.00 37.62 O ATOM 0 H SER A 121 -14.148 18.003 -15.315 1.00 43.41 H new ATOM 0 HA SER A 121 -16.280 19.843 -14.570 1.00 4.42 H new ATOM 0 HB2 SER A 121 -14.960 21.330 -16.164 1.00 41.11 H new ATOM 0 HB3 SER A 121 -14.109 20.805 -14.724 1.00 41.11 H new ATOM 0 HG SER A 121 -13.913 19.557 -17.310 1.00 25.11 H new TER 1904 SER A 121