USER MOD reduce.3.24.130724 H: found=0, std=0, add=1071, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1067 hydrogens (84 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 NoAdj-H: A 201 GCH H43 : A 201 GCH O4 : A 201 GCH C24 :(short bond) USER MOD Set 1.1: A 73 THR OG1 : rot 177:sc= 1.87 USER MOD Set 1.2: A 202 CHO OT2 : rot -140:sc= 0.932 USER MOD Set 2.1: A 201 GCH O : rot 21:sc= 0.779 USER MOD Set 2.2: A 202 CHO O3 : rot -20:sc= 0.349 USER MOD Set 3.1: A 97 TYR OH : rot 15:sc= -3.7! USER MOD Set 3.2: A 99 GLN : amide:sc= -7.65! C(o=-8.8!,f=-17!) USER MOD Set 3.3: A 101 SER OG : rot -94:sc= 1.33 USER MOD Set 3.4: A 112 SER OG : rot -120:sc= 1.18 USER MOD Set 4.1: A 93 ASN : amide:sc= 0.626 K(o=1.5,f=-3) USER MOD Set 4.2: A 98 HIS : no HE2:sc= 0.897 K(o=1.5,f=-7!) USER MOD Set 4.3: A 113 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 18 MET CE :methyl 171:sc= 0 (180deg=-0.0524) USER MOD Set 5.2: A 74 MET CE :methyl -158:sc= -0.0417 (180deg=-0.291) USER MOD Set 6.1: A 61 ASN : amide:sc= 0.136 K(o=-0.78,f=-2.7) USER MOD Set 6.2: A 202 CHO O7 : rot 94:sc= -0.916! USER MOD Set 7.1: A 52 HIS : no HD1:sc= 1.99 K(o=3.2,f=-8.4!) USER MOD Set 7.2: A 58 THR OG1 : rot -43:sc= 1.26 USER MOD Set 8.1: A 51 GLN : amide:sc= -1.06! K(o=-0.87!,f=-1.9) USER MOD Set 8.2: A 59 MET CE :methyl -152:sc= -0.0489 (180deg=0) USER MOD Set 8.3: A 201 GCH O3 : rot -36:sc= 0.235 USER MOD Set 9.1: A 48 THR OG1 : rot 120:sc= 0.563 USER MOD Set 9.2: A 62 LYS NZ :NH3+ 176:sc= 1.23 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -101:sc= 0.0375 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 5 LYS NZ :NH3+ -172:sc= -0.375 (180deg=-0.438) USER MOD Single : A 8 MET CE :methyl 177:sc= 0 (180deg=-0.0154) USER MOD Single : A 10 SER OG : rot 15:sc= 0.47 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.0896 F(o=-0.81,f=-0.09) USER MOD Single : A 14 TYR OH : rot 166:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 167:sc= 0.83 (180deg=0.163) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 144:sc= 2.09 (180deg=0.389) USER MOD Single : A 33 ASN : amide:sc= 0.985 K(o=0.98,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -139:sc= 2.05 (180deg=0.0479) USER MOD Single : A 38 THR OG1 : rot 119:sc= -2.5 USER MOD Single : A 41 GLN : amide:sc= -0.613 X(o=-0.61,f=-0.97) USER MOD Single : A 42 GLN : amide:sc= -2.21 K(o=-2.2,f=-4.8!) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 50 SER OG : rot 180:sc= -0.197 USER MOD Single : A 53 TYR OH : rot -153:sc= 1.27 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.0013 X(o=-0.0013,f=-0.001) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -48:sc= 1.29 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -36:sc= 1.06 USER MOD Single : A 70 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.2) USER MOD Single : A 72 GLN : amide:sc= -0.54 K(o=-0.54,f=-2.4) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 85 MET CE :methyl 173:sc= 0 (180deg=-0.033) USER MOD Single : A 89 LYS NZ :NH3+ -164:sc= 0.727 (180deg=0.0724) USER MOD Single : A 96 ASN : amide:sc= -0.067 K(o=-0.067,f=-3.3!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 106:sc= 1.31 USER MOD Single : A 123 SER OG : rot 80:sc= -0.227 USER MOD Single : A 124 LYS NZ :NH3+ 164:sc= 0.644 (180deg=0.526) USER MOD Single : A 201 GCH O1 : rot 66:sc= 0.0974 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -23.024 10.938 13.145 1.00 0.66 N ATOM 2 CA ALA A 1 -23.893 11.827 13.927 1.00 0.48 C ATOM 3 C ALA A 1 -23.433 13.306 13.809 1.00 0.53 C ATOM 4 O ALA A 1 -22.323 13.613 13.410 1.00 1.01 O ATOM 5 CB ALA A 1 -23.952 11.249 15.389 1.00 0.50 C ATOM 0 H1 ALA A 1 -23.491 10.697 12.248 1.00 0.66 H new ATOM 0 H2 ALA A 1 -22.123 11.419 12.948 1.00 0.66 H new ATOM 0 H3 ALA A 1 -22.842 10.068 13.685 1.00 0.66 H new ATOM 0 HA ALA A 1 -24.913 11.852 13.542 1.00 0.48 H new ATOM 0 HB1 ALA A 1 -24.590 11.883 16.005 1.00 0.50 H new ATOM 0 HB2 ALA A 1 -24.359 10.238 15.364 1.00 0.50 H new ATOM 0 HB3 ALA A 1 -22.948 11.225 15.812 1.00 0.50 H new ATOM 13 N PHE A 2 -24.362 14.223 14.078 1.00 0.29 N ATOM 14 CA PHE A 2 -24.146 15.666 13.916 1.00 0.26 C ATOM 15 C PHE A 2 -23.587 16.432 15.124 1.00 0.27 C ATOM 16 O PHE A 2 -23.252 17.604 15.026 1.00 0.36 O ATOM 17 CB PHE A 2 -25.405 16.307 13.342 1.00 0.26 C ATOM 18 CG PHE A 2 -25.701 15.963 11.898 1.00 0.25 C ATOM 19 CD1 PHE A 2 -26.258 14.714 11.565 1.00 0.24 C ATOM 20 CD2 PHE A 2 -25.509 16.927 10.897 1.00 0.27 C ATOM 21 CE1 PHE A 2 -26.649 14.445 10.246 1.00 0.25 C ATOM 22 CE2 PHE A 2 -25.960 16.683 9.590 1.00 0.27 C ATOM 23 CZ PHE A 2 -26.534 15.444 9.272 1.00 0.25 C ATOM 0 H PHE A 2 -25.294 13.986 14.417 1.00 0.29 H new ATOM 0 HA PHE A 2 -23.320 15.753 13.210 1.00 0.26 H new ATOM 0 HB2 PHE A 2 -26.257 16.007 13.952 1.00 0.26 H new ATOM 0 HB3 PHE A 2 -25.315 17.390 13.430 1.00 0.26 H new ATOM 0 HD1 PHE A 2 -26.385 13.960 12.328 1.00 0.24 H new ATOM 0 HD2 PHE A 2 -25.014 17.858 11.132 1.00 0.27 H new ATOM 0 HE1 PHE A 2 -27.037 13.472 9.983 1.00 0.25 H new ATOM 0 HE2 PHE A 2 -25.865 17.447 8.832 1.00 0.27 H new ATOM 0 HZ PHE A 2 -26.890 15.259 8.269 1.00 0.25 H new ATOM 33 N THR A 3 -23.534 15.768 16.276 1.00 0.23 N ATOM 34 CA THR A 3 -23.085 16.189 17.594 1.00 0.22 C ATOM 35 C THR A 3 -22.029 17.194 17.729 1.00 0.23 C ATOM 36 O THR A 3 -20.845 16.975 17.339 1.00 0.27 O ATOM 37 CB THR A 3 -22.701 15.045 18.518 1.00 0.26 C ATOM 38 OG1 THR A 3 -23.784 14.097 18.498 1.00 0.27 O ATOM 39 CG2 THR A 3 -22.478 15.548 19.953 1.00 0.27 C ATOM 0 H THR A 3 -23.846 14.797 16.306 1.00 0.23 H new ATOM 0 HA THR A 3 -24.012 16.685 17.881 1.00 0.22 H new ATOM 0 HB THR A 3 -21.770 14.589 18.180 1.00 0.26 H new ATOM 0 HG1 THR A 3 -23.569 13.342 19.084 1.00 0.27 H new ATOM 0 HG21 THR A 3 -22.204 14.710 20.594 1.00 0.27 H new ATOM 0 HG22 THR A 3 -21.676 16.286 19.959 1.00 0.27 H new ATOM 0 HG23 THR A 3 -23.395 16.005 20.325 1.00 0.27 H new ATOM 47 N GLY A 4 -22.269 18.316 18.401 1.00 0.22 N ATOM 48 CA GLY A 4 -21.301 19.377 18.556 1.00 0.25 C ATOM 49 C GLY A 4 -21.824 20.786 18.452 1.00 0.26 C ATOM 50 O GLY A 4 -23.032 21.003 18.308 1.00 0.46 O ATOM 0 H GLY A 4 -23.160 18.509 18.858 1.00 0.22 H new ATOM 0 HA2 GLY A 4 -20.822 19.262 19.528 1.00 0.25 H new ATOM 0 HA3 GLY A 4 -20.526 19.244 17.801 1.00 0.25 H new ATOM 54 N LYS A 5 -20.937 21.772 18.693 1.00 0.24 N ATOM 55 CA LYS A 5 -21.212 23.227 18.632 1.00 0.23 C ATOM 56 C LYS A 5 -20.739 23.760 17.274 1.00 0.20 C ATOM 57 O LYS A 5 -19.541 23.692 16.988 1.00 0.22 O ATOM 58 CB LYS A 5 -20.503 23.967 19.801 1.00 0.30 C ATOM 59 CG LYS A 5 -21.223 25.180 20.434 1.00 0.36 C ATOM 60 CD LYS A 5 -21.703 26.324 19.519 1.00 0.38 C ATOM 61 CE LYS A 5 -20.643 27.301 18.992 1.00 0.41 C ATOM 62 NZ LYS A 5 -20.216 28.299 20.004 1.00 0.73 N ATOM 0 H LYS A 5 -19.969 21.571 18.946 1.00 0.24 H new ATOM 0 HA LYS A 5 -22.282 23.405 18.736 1.00 0.23 H new ATOM 0 HB2 LYS A 5 -20.315 23.240 20.591 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -19.531 24.306 19.442 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -22.092 24.803 20.973 1.00 0.36 H new ATOM 0 HG3 LYS A 5 -20.551 25.612 21.176 1.00 0.36 H new ATOM 0 HD2 LYS A 5 -22.207 25.880 18.661 1.00 0.38 H new ATOM 0 HD3 LYS A 5 -22.450 26.900 20.065 1.00 0.38 H new ATOM 0 HE2 LYS A 5 -19.772 26.737 18.657 1.00 0.41 H new ATOM 0 HE3 LYS A 5 -21.040 27.823 18.121 1.00 0.41 H new ATOM 0 HZ1 LYS A 5 -19.605 29.010 19.554 1.00 0.73 H new ATOM 0 HZ2 LYS A 5 -21.054 28.766 20.406 1.00 0.73 H new ATOM 0 HZ3 LYS A 5 -19.689 27.821 20.763 1.00 0.73 H new ATOM 76 N PHE A 6 -21.624 24.421 16.528 1.00 0.22 N ATOM 77 CA PHE A 6 -21.328 25.078 15.246 1.00 0.25 C ATOM 78 C PHE A 6 -21.865 26.512 15.277 1.00 0.23 C ATOM 79 O PHE A 6 -22.451 26.964 16.261 1.00 0.27 O ATOM 80 CB PHE A 6 -21.933 24.313 14.042 1.00 0.43 C ATOM 81 CG PHE A 6 -21.726 22.810 13.961 1.00 0.28 C ATOM 82 CD1 PHE A 6 -22.349 21.955 14.893 1.00 0.24 C ATOM 83 CD2 PHE A 6 -21.024 22.248 12.875 1.00 0.30 C ATOM 84 CE1 PHE A 6 -22.199 20.566 14.788 1.00 0.26 C ATOM 85 CE2 PHE A 6 -20.902 20.851 12.751 1.00 0.23 C ATOM 86 CZ PHE A 6 -21.474 20.011 13.719 1.00 0.24 C ATOM 0 H PHE A 6 -22.601 24.520 16.805 1.00 0.22 H new ATOM 0 HA PHE A 6 -20.246 25.083 15.114 1.00 0.25 H new ATOM 0 HB2 PHE A 6 -23.007 24.501 14.035 1.00 0.43 H new ATOM 0 HB3 PHE A 6 -21.527 24.753 13.131 1.00 0.43 H new ATOM 0 HD1 PHE A 6 -22.944 22.373 15.691 1.00 0.24 H new ATOM 0 HD2 PHE A 6 -20.577 22.893 12.133 1.00 0.30 H new ATOM 0 HE1 PHE A 6 -22.642 19.919 15.531 1.00 0.26 H new ATOM 0 HE2 PHE A 6 -20.369 20.427 11.913 1.00 0.23 H new ATOM 0 HZ PHE A 6 -21.357 18.940 13.643 1.00 0.24 H new ATOM 96 N GLU A 7 -21.496 27.270 14.255 1.00 0.25 N ATOM 97 CA GLU A 7 -21.652 28.715 14.159 1.00 0.32 C ATOM 98 C GLU A 7 -21.765 29.097 12.686 1.00 0.32 C ATOM 99 O GLU A 7 -20.960 28.646 11.855 1.00 0.37 O ATOM 100 CB GLU A 7 -20.449 29.319 14.875 1.00 0.44 C ATOM 101 CG GLU A 7 -20.212 30.823 14.806 1.00 1.10 C ATOM 102 CD GLU A 7 -18.913 31.109 15.575 1.00 1.18 C ATOM 103 OE1 GLU A 7 -18.932 30.827 16.796 1.00 1.10 O ATOM 104 OE2 GLU A 7 -17.916 31.593 14.996 1.00 1.98 O ATOM 0 H GLU A 7 -21.056 26.872 13.425 1.00 0.25 H new ATOM 0 HA GLU A 7 -22.557 29.096 14.632 1.00 0.32 H new ATOM 0 HB2 GLU A 7 -20.526 29.048 15.928 1.00 0.44 H new ATOM 0 HB3 GLU A 7 -19.557 28.829 14.485 1.00 0.44 H new ATOM 0 HG2 GLU A 7 -20.128 31.153 13.771 1.00 1.10 H new ATOM 0 HG3 GLU A 7 -21.048 31.366 15.246 1.00 1.10 H new ATOM 111 N MET A 8 -22.946 29.620 12.326 1.00 0.37 N ATOM 112 CA MET A 8 -23.315 29.982 10.955 1.00 0.35 C ATOM 113 C MET A 8 -22.989 31.451 10.703 1.00 0.42 C ATOM 114 O MET A 8 -23.492 32.313 11.418 1.00 0.67 O ATOM 115 CB MET A 8 -24.823 29.765 10.720 1.00 0.39 C ATOM 116 CG MET A 8 -25.167 29.898 9.227 1.00 0.51 C ATOM 117 SD MET A 8 -26.922 29.986 8.811 1.00 0.97 S ATOM 118 CE MET A 8 -27.312 31.682 9.333 1.00 0.35 C ATOM 0 H MET A 8 -23.688 29.807 13.000 1.00 0.37 H new ATOM 0 HA MET A 8 -22.749 29.347 10.273 1.00 0.35 H new ATOM 0 HB2 MET A 8 -25.113 28.777 11.078 1.00 0.39 H new ATOM 0 HB3 MET A 8 -25.394 30.493 11.296 1.00 0.39 H new ATOM 0 HG2 MET A 8 -24.680 30.794 8.843 1.00 0.51 H new ATOM 0 HG3 MET A 8 -24.733 29.048 8.700 1.00 0.51 H new ATOM 0 HE1 MET A 8 -28.351 31.907 9.091 1.00 0.35 H new ATOM 0 HE2 MET A 8 -27.161 31.775 10.408 1.00 0.35 H new ATOM 0 HE3 MET A 8 -26.658 32.382 8.813 1.00 0.35 H new ATOM 128 N GLU A 9 -22.397 31.737 9.544 1.00 0.45 N ATOM 129 CA GLU A 9 -22.268 33.100 9.086 1.00 0.55 C ATOM 130 C GLU A 9 -22.569 33.216 7.646 1.00 0.57 C ATOM 131 O GLU A 9 -21.923 33.954 6.887 1.00 1.27 O ATOM 132 CB GLU A 9 -20.831 33.660 9.371 1.00 1.10 C ATOM 133 CG GLU A 9 -20.949 35.164 9.525 1.00 1.63 C ATOM 134 CD GLU A 9 -19.590 35.670 9.952 1.00 2.20 C ATOM 135 OE1 GLU A 9 -18.667 35.566 9.091 1.00 2.75 O ATOM 136 OE2 GLU A 9 -19.434 36.320 10.984 1.00 2.52 O ATOM 0 H GLU A 9 -22.003 31.038 8.914 1.00 0.45 H new ATOM 0 HA GLU A 9 -22.994 33.693 9.642 1.00 0.55 H new ATOM 0 HB2 GLU A 9 -20.418 33.213 10.276 1.00 1.10 H new ATOM 0 HB3 GLU A 9 -20.154 33.410 8.554 1.00 1.10 H new ATOM 0 HG2 GLU A 9 -21.255 35.625 8.586 1.00 1.63 H new ATOM 0 HG3 GLU A 9 -21.706 35.418 10.267 1.00 1.63 H new ATOM 143 N SER A 10 -23.498 32.434 7.146 1.00 0.59 N ATOM 144 CA SER A 10 -23.915 32.568 5.768 1.00 0.94 C ATOM 145 C SER A 10 -25.399 32.390 5.716 1.00 0.68 C ATOM 146 O SER A 10 -25.896 31.351 6.134 1.00 1.26 O ATOM 147 CB SER A 10 -23.158 31.582 4.882 1.00 1.86 C ATOM 148 OG SER A 10 -21.851 32.059 4.661 1.00 2.52 O ATOM 0 H SER A 10 -23.978 31.702 7.669 1.00 0.59 H new ATOM 0 HA SER A 10 -23.675 33.557 5.378 1.00 0.94 H new ATOM 0 HB2 SER A 10 -23.124 30.602 5.357 1.00 1.86 H new ATOM 0 HB3 SER A 10 -23.677 31.458 3.932 1.00 1.86 H new ATOM 0 HG SER A 10 -21.649 32.770 5.305 1.00 2.52 H new ATOM 154 N GLU A 11 -26.075 33.290 5.018 1.00 0.49 N ATOM 155 CA GLU A 11 -27.510 33.137 4.743 1.00 0.37 C ATOM 156 C GLU A 11 -27.794 33.327 3.238 1.00 0.30 C ATOM 157 O GLU A 11 -26.903 33.723 2.469 1.00 0.40 O ATOM 158 CB GLU A 11 -28.385 34.065 5.618 1.00 0.77 C ATOM 159 CG GLU A 11 -27.736 35.053 6.606 1.00 0.96 C ATOM 160 CD GLU A 11 -27.041 36.257 5.937 1.00 1.37 C ATOM 161 OE1 GLU A 11 -26.490 36.075 4.826 1.00 1.76 O ATOM 162 OE2 GLU A 11 -26.918 37.297 6.624 1.00 1.92 O ATOM 0 H GLU A 11 -25.660 34.136 4.628 1.00 0.49 H new ATOM 0 HA GLU A 11 -27.789 32.119 5.016 1.00 0.37 H new ATOM 0 HB2 GLU A 11 -29.008 34.650 4.942 1.00 0.77 H new ATOM 0 HB3 GLU A 11 -29.053 33.426 6.195 1.00 0.77 H new ATOM 0 HG2 GLU A 11 -28.502 35.423 7.287 1.00 0.96 H new ATOM 0 HG3 GLU A 11 -27.005 34.516 7.210 1.00 0.96 H new ATOM 169 N LYS A 12 -28.914 32.765 2.739 1.00 0.24 N ATOM 170 CA LYS A 12 -29.228 32.862 1.330 1.00 0.23 C ATOM 171 C LYS A 12 -30.698 32.592 1.021 1.00 0.18 C ATOM 172 O LYS A 12 -31.201 31.532 1.381 1.00 0.19 O ATOM 173 CB LYS A 12 -28.376 31.902 0.490 1.00 0.32 C ATOM 174 CG LYS A 12 -28.911 31.669 -0.973 1.00 0.41 C ATOM 175 CD LYS A 12 -28.824 32.830 -1.857 1.00 0.53 C ATOM 176 CE LYS A 12 -29.334 32.695 -3.294 1.00 1.24 C ATOM 177 NZ LYS A 12 -28.468 31.806 -4.163 1.00 1.90 N ATOM 0 H LYS A 12 -29.597 32.250 3.295 1.00 0.24 H new ATOM 0 HA LYS A 12 -29.002 33.895 1.064 1.00 0.23 H new ATOM 0 HB2 LYS A 12 -27.359 32.291 0.435 1.00 0.32 H new ATOM 0 HB3 LYS A 12 -28.322 30.941 1.002 1.00 0.32 H new ATOM 0 HG2 LYS A 12 -28.352 30.848 -1.421 1.00 0.41 H new ATOM 0 HG3 LYS A 12 -29.952 31.352 -0.916 1.00 0.41 H new ATOM 0 HD2 LYS A 12 -29.372 33.646 -1.386 1.00 0.53 H new ATOM 0 HD3 LYS A 12 -27.778 33.133 -1.904 1.00 0.53 H new ATOM 0 HE2 LYS A 12 -30.348 32.294 -3.275 1.00 1.24 H new ATOM 0 HE3 LYS A 12 -29.391 33.686 -3.745 1.00 1.24 H new ATOM 0 HZ1 LYS A 12 -28.870 31.759 -5.121 1.00 1.90 H new ATOM 0 HZ2 LYS A 12 -27.506 32.198 -4.210 1.00 1.90 H new ATOM 0 HZ3 LYS A 12 -28.433 30.850 -3.755 1.00 1.90 H new ATOM 191 N ASN A 13 -31.495 33.569 0.480 1.00 0.18 N ATOM 192 CA ASN A 13 -32.950 33.412 0.275 1.00 0.16 C ATOM 193 C ASN A 13 -33.695 33.477 1.672 1.00 0.17 C ATOM 194 O ASN A 13 -34.788 33.026 1.821 1.00 0.19 O ATOM 195 CB ASN A 13 -33.256 32.078 -0.449 1.00 0.16 C ATOM 196 CG ASN A 13 -34.615 31.982 -1.089 1.00 0.18 C ATOM 197 OD1 ASN A 13 -35.453 30.976 -0.702 1.00 0.24 O flip ATOM 198 ND2 ASN A 13 -34.911 32.883 -1.901 1.00 0.18 N flip ATOM 0 H ASN A 13 -31.137 34.476 0.180 1.00 0.18 H new ATOM 0 HA ASN A 13 -33.311 34.225 -0.354 1.00 0.16 H new ATOM 0 HB2 ASN A 13 -32.500 31.921 -1.218 1.00 0.16 H new ATOM 0 HB3 ASN A 13 -33.154 31.264 0.269 1.00 0.16 H new ATOM 0 HD21 ASN A 13 -34.226 33.601 -2.138 1.00 0.18 H new ATOM 0 HD22 ASN A 13 -35.838 32.901 -2.327 1.00 0.18 H new ATOM 205 N TYR A 14 -32.937 33.919 2.711 1.00 0.20 N ATOM 206 CA TYR A 14 -33.316 33.845 4.130 1.00 0.22 C ATOM 207 C TYR A 14 -34.624 34.633 4.547 1.00 0.21 C ATOM 208 O TYR A 14 -35.491 34.082 5.240 1.00 0.24 O ATOM 209 CB TYR A 14 -32.186 34.278 5.124 1.00 0.29 C ATOM 210 CG TYR A 14 -31.792 35.743 5.213 1.00 0.81 C ATOM 211 CD1 TYR A 14 -30.959 36.391 4.294 1.00 1.82 C ATOM 212 CD2 TYR A 14 -32.338 36.496 6.262 1.00 1.38 C ATOM 213 CE1 TYR A 14 -30.861 37.742 4.345 1.00 2.29 C ATOM 214 CE2 TYR A 14 -32.111 37.826 6.310 1.00 1.79 C ATOM 215 CZ TYR A 14 -31.343 38.515 5.424 1.00 1.96 C ATOM 216 OH TYR A 14 -31.310 39.968 5.466 1.00 2.54 O ATOM 0 H TYR A 14 -32.022 34.347 2.570 1.00 0.20 H new ATOM 0 HA TYR A 14 -33.514 32.777 4.216 1.00 0.22 H new ATOM 0 HB2 TYR A 14 -32.488 33.959 6.122 1.00 0.29 H new ATOM 0 HB3 TYR A 14 -31.290 33.713 4.867 1.00 0.29 H new ATOM 0 HD1 TYR A 14 -30.405 35.826 3.559 1.00 1.82 H new ATOM 0 HD2 TYR A 14 -32.934 36.017 7.024 1.00 1.38 H new ATOM 0 HE1 TYR A 14 -30.390 38.253 3.518 1.00 2.29 H new ATOM 0 HE2 TYR A 14 -32.573 38.384 7.111 1.00 1.79 H new ATOM 0 HH TYR A 14 -31.894 40.288 6.185 1.00 2.54 H new ATOM 226 N ASP A 15 -34.819 35.824 3.973 1.00 0.21 N ATOM 227 CA ASP A 15 -36.060 36.596 4.119 1.00 0.25 C ATOM 228 C ASP A 15 -37.294 35.890 3.560 1.00 0.22 C ATOM 229 O ASP A 15 -38.203 35.534 4.312 1.00 0.29 O ATOM 230 CB ASP A 15 -35.914 37.984 3.481 1.00 0.32 C ATOM 231 CG ASP A 15 -34.942 38.873 4.250 1.00 0.88 C ATOM 232 OD1 ASP A 15 -35.294 39.237 5.399 1.00 0.74 O ATOM 233 OD2 ASP A 15 -33.927 39.246 3.632 1.00 1.67 O ATOM 0 H ASP A 15 -34.118 36.283 3.391 1.00 0.21 H new ATOM 0 HA ASP A 15 -36.221 36.697 5.192 1.00 0.25 H new ATOM 0 HB2 ASP A 15 -35.568 37.875 2.453 1.00 0.32 H new ATOM 0 HB3 ASP A 15 -36.890 38.467 3.439 1.00 0.32 H new ATOM 238 N GLU A 16 -37.286 35.545 2.278 1.00 0.18 N ATOM 239 CA GLU A 16 -38.410 34.808 1.708 1.00 0.21 C ATOM 240 C GLU A 16 -38.543 33.419 2.338 1.00 0.20 C ATOM 241 O GLU A 16 -39.652 33.071 2.742 1.00 0.25 O ATOM 242 CB GLU A 16 -38.329 34.776 0.173 1.00 0.26 C ATOM 243 CG GLU A 16 -38.270 36.180 -0.469 1.00 0.30 C ATOM 244 CD GLU A 16 -39.383 37.150 -0.036 1.00 0.64 C ATOM 245 OE1 GLU A 16 -40.456 36.718 0.450 1.00 0.77 O ATOM 246 OE2 GLU A 16 -39.099 38.365 0.083 1.00 1.00 O ATOM 0 H GLU A 16 -36.532 35.757 1.625 1.00 0.18 H new ATOM 0 HA GLU A 16 -39.330 35.338 1.954 1.00 0.21 H new ATOM 0 HB2 GLU A 16 -37.446 34.211 -0.125 1.00 0.26 H new ATOM 0 HB3 GLU A 16 -39.195 34.242 -0.218 1.00 0.26 H new ATOM 0 HG2 GLU A 16 -37.306 36.630 -0.231 1.00 0.30 H new ATOM 0 HG3 GLU A 16 -38.310 36.068 -1.552 1.00 0.30 H new ATOM 253 N PHE A 17 -37.449 32.714 2.667 1.00 0.16 N ATOM 254 CA PHE A 17 -37.607 31.346 3.174 1.00 0.15 C ATOM 255 C PHE A 17 -38.168 31.405 4.604 1.00 0.16 C ATOM 256 O PHE A 17 -39.110 30.670 4.892 1.00 0.17 O ATOM 257 CB PHE A 17 -36.256 30.624 3.168 1.00 0.16 C ATOM 258 CG PHE A 17 -36.435 29.125 3.178 1.00 0.16 C ATOM 259 CD1 PHE A 17 -36.571 28.460 1.944 1.00 0.16 C ATOM 260 CD2 PHE A 17 -36.501 28.399 4.383 1.00 0.20 C ATOM 261 CE1 PHE A 17 -36.756 27.072 1.912 1.00 0.19 C ATOM 262 CE2 PHE A 17 -36.722 27.013 4.344 1.00 0.22 C ATOM 263 CZ PHE A 17 -36.871 26.353 3.112 1.00 0.18 C ATOM 0 H PHE A 17 -36.489 33.050 2.596 1.00 0.16 H new ATOM 0 HA PHE A 17 -38.296 30.795 2.533 1.00 0.15 H new ATOM 0 HB2 PHE A 17 -35.688 30.919 2.286 1.00 0.16 H new ATOM 0 HB3 PHE A 17 -35.675 30.929 4.038 1.00 0.16 H new ATOM 0 HD1 PHE A 17 -36.533 29.021 1.022 1.00 0.16 H new ATOM 0 HD2 PHE A 17 -36.383 28.905 5.330 1.00 0.20 H new ATOM 0 HE1 PHE A 17 -36.810 26.556 0.965 1.00 0.19 H new ATOM 0 HE2 PHE A 17 -36.778 26.451 5.265 1.00 0.22 H new ATOM 0 HZ PHE A 17 -37.074 25.293 3.089 1.00 0.18 H new ATOM 273 N MET A 18 -37.707 32.311 5.474 1.00 0.18 N ATOM 274 CA MET A 18 -38.215 32.401 6.846 1.00 0.19 C ATOM 275 C MET A 18 -39.653 32.938 6.922 1.00 0.20 C ATOM 276 O MET A 18 -40.463 32.346 7.632 1.00 0.22 O ATOM 277 CB MET A 18 -37.267 33.220 7.737 1.00 0.20 C ATOM 278 CG MET A 18 -35.868 32.611 7.961 1.00 0.39 C ATOM 279 SD MET A 18 -35.762 30.829 8.252 1.00 1.06 S ATOM 280 CE MET A 18 -34.026 30.536 7.811 1.00 0.36 C ATOM 0 H MET A 18 -36.982 32.993 5.251 1.00 0.18 H new ATOM 0 HA MET A 18 -38.249 31.381 7.228 1.00 0.19 H new ATOM 0 HB2 MET A 18 -37.146 34.209 7.295 1.00 0.20 H new ATOM 0 HB3 MET A 18 -37.742 33.361 8.708 1.00 0.20 H new ATOM 0 HG2 MET A 18 -35.257 32.845 7.089 1.00 0.39 H new ATOM 0 HG3 MET A 18 -35.415 33.117 8.813 1.00 0.39 H new ATOM 0 HE1 MET A 18 -33.748 29.518 8.085 1.00 0.36 H new ATOM 0 HE2 MET A 18 -33.896 30.671 6.737 1.00 0.36 H new ATOM 0 HE3 MET A 18 -33.391 31.242 8.346 1.00 0.36 H new ATOM 290 N LYS A 19 -40.031 33.927 6.096 1.00 0.20 N ATOM 291 CA LYS A 19 -41.385 34.438 6.030 1.00 0.23 C ATOM 292 C LYS A 19 -42.308 33.351 5.597 1.00 0.23 C ATOM 293 O LYS A 19 -43.355 33.109 6.137 1.00 0.29 O ATOM 294 CB LYS A 19 -41.440 35.578 4.962 1.00 0.25 C ATOM 295 CG LYS A 19 -40.745 36.909 5.499 1.00 0.32 C ATOM 296 CD LYS A 19 -41.020 38.118 4.587 1.00 0.87 C ATOM 297 CE LYS A 19 -40.097 38.058 3.359 1.00 1.40 C ATOM 298 NZ LYS A 19 -40.700 38.856 2.250 1.00 1.82 N ATOM 0 H LYS A 19 -39.389 34.391 5.454 1.00 0.20 H new ATOM 0 HA LYS A 19 -41.681 34.811 7.011 1.00 0.23 H new ATOM 0 HB2 LYS A 19 -40.943 35.249 4.049 1.00 0.25 H new ATOM 0 HB3 LYS A 19 -42.478 35.786 4.703 1.00 0.25 H new ATOM 0 HG2 LYS A 19 -41.106 37.125 6.504 1.00 0.32 H new ATOM 0 HG3 LYS A 19 -39.669 36.750 5.574 1.00 0.32 H new ATOM 0 HD2 LYS A 19 -42.063 38.118 4.271 1.00 0.87 H new ATOM 0 HD3 LYS A 19 -40.853 39.045 5.135 1.00 0.87 H new ATOM 0 HE2 LYS A 19 -39.112 38.450 3.611 1.00 1.40 H new ATOM 0 HE3 LYS A 19 -39.958 37.024 3.044 1.00 1.40 H new ATOM 0 HZ1 LYS A 19 -39.991 39.003 1.503 1.00 1.82 H new ATOM 0 HZ2 LYS A 19 -41.516 38.344 1.857 1.00 1.82 H new ATOM 0 HZ3 LYS A 19 -41.014 39.778 2.616 1.00 1.82 H new ATOM 312 N LEU A 20 -41.984 32.649 4.523 1.00 0.20 N ATOM 313 CA LEU A 20 -42.830 31.564 3.979 1.00 0.20 C ATOM 314 C LEU A 20 -42.980 30.395 5.014 1.00 0.21 C ATOM 315 O LEU A 20 -44.056 29.791 5.196 1.00 0.25 O ATOM 316 CB LEU A 20 -42.292 30.937 2.657 1.00 0.19 C ATOM 317 CG LEU A 20 -42.338 32.008 1.533 1.00 0.22 C ATOM 318 CD1 LEU A 20 -41.324 31.758 0.346 1.00 0.21 C ATOM 319 CD2 LEU A 20 -43.725 32.356 0.972 1.00 0.27 C ATOM 0 H LEU A 20 -41.127 32.805 3.992 1.00 0.20 H new ATOM 0 HA LEU A 20 -43.785 32.046 3.770 1.00 0.20 H new ATOM 0 HB2 LEU A 20 -41.271 30.582 2.797 1.00 0.19 H new ATOM 0 HB3 LEU A 20 -42.894 30.073 2.378 1.00 0.19 H new ATOM 0 HG LEU A 20 -42.010 32.887 2.088 1.00 0.22 H new ATOM 0 HD11 LEU A 20 -41.425 32.553 -0.392 1.00 0.21 H new ATOM 0 HD12 LEU A 20 -40.305 31.750 0.733 1.00 0.21 H new ATOM 0 HD13 LEU A 20 -41.542 30.798 -0.123 1.00 0.21 H new ATOM 0 HD21 LEU A 20 -43.624 33.114 0.195 1.00 0.27 H new ATOM 0 HD22 LEU A 20 -44.181 31.461 0.548 1.00 0.27 H new ATOM 0 HD23 LEU A 20 -44.356 32.740 1.774 1.00 0.27 H new ATOM 331 N LEU A 21 -41.880 30.000 5.639 1.00 0.19 N ATOM 332 CA LEU A 21 -42.011 28.893 6.560 1.00 0.20 C ATOM 333 C LEU A 21 -42.702 29.260 7.860 1.00 0.23 C ATOM 334 O LEU A 21 -43.334 28.380 8.447 1.00 0.25 O ATOM 335 CB LEU A 21 -40.686 28.222 6.777 1.00 0.22 C ATOM 336 CG LEU A 21 -40.915 26.833 7.402 1.00 0.40 C ATOM 337 CD1 LEU A 21 -41.914 25.907 6.687 1.00 1.20 C ATOM 338 CD2 LEU A 21 -39.577 26.193 7.265 1.00 0.80 C ATOM 0 H LEU A 21 -40.948 30.401 5.534 1.00 0.19 H new ATOM 0 HA LEU A 21 -42.679 28.171 6.090 1.00 0.20 H new ATOM 0 HB2 LEU A 21 -40.155 28.124 5.830 1.00 0.22 H new ATOM 0 HB3 LEU A 21 -40.061 28.829 7.431 1.00 0.22 H new ATOM 0 HG LEU A 21 -41.328 26.968 8.402 1.00 0.40 H new ATOM 0 HD11 LEU A 21 -41.984 24.962 7.226 1.00 1.20 H new ATOM 0 HD12 LEU A 21 -42.894 26.382 6.658 1.00 1.20 H new ATOM 0 HD13 LEU A 21 -41.572 25.719 5.669 1.00 1.20 H new ATOM 0 HD21 LEU A 21 -39.611 25.186 7.680 1.00 0.80 H new ATOM 0 HD22 LEU A 21 -39.304 26.143 6.211 1.00 0.80 H new ATOM 0 HD23 LEU A 21 -38.835 26.782 7.804 1.00 0.80 H new ATOM 350 N GLY A 22 -42.748 30.555 8.197 1.00 0.30 N ATOM 351 CA GLY A 22 -43.659 31.008 9.172 1.00 0.36 C ATOM 352 C GLY A 22 -43.016 31.729 10.334 1.00 0.36 C ATOM 353 O GLY A 22 -43.584 31.735 11.426 1.00 0.40 O ATOM 0 H GLY A 22 -42.155 31.279 7.793 1.00 0.30 H new ATOM 0 HA2 GLY A 22 -44.379 31.676 8.698 1.00 0.36 H new ATOM 0 HA3 GLY A 22 -44.219 30.155 9.554 1.00 0.36 H new ATOM 357 N ILE A 23 -41.874 32.405 10.097 1.00 0.34 N ATOM 358 CA ILE A 23 -41.447 33.406 11.016 1.00 0.34 C ATOM 359 C ILE A 23 -41.951 34.777 10.611 1.00 0.33 C ATOM 360 O ILE A 23 -41.818 35.156 9.452 1.00 0.31 O ATOM 361 CB ILE A 23 -39.919 33.522 11.159 1.00 0.30 C ATOM 362 CG1 ILE A 23 -39.265 32.088 10.864 1.00 0.30 C ATOM 363 CG2 ILE A 23 -39.652 34.122 12.500 1.00 0.35 C ATOM 364 CD1 ILE A 23 -37.830 31.979 11.326 1.00 0.38 C ATOM 0 H ILE A 23 -41.265 32.261 9.292 1.00 0.34 H new ATOM 0 HA ILE A 23 -41.866 33.084 11.969 1.00 0.34 H new ATOM 0 HB ILE A 23 -39.445 34.184 10.434 1.00 0.30 H new ATOM 0 HG12 ILE A 23 -39.858 31.318 11.357 1.00 0.30 H new ATOM 0 HG13 ILE A 23 -39.311 31.889 9.793 1.00 0.30 H new ATOM 0 HG21 ILE A 23 -38.577 34.223 12.646 1.00 0.35 H new ATOM 0 HG22 ILE A 23 -40.120 35.104 12.559 1.00 0.35 H new ATOM 0 HG23 ILE A 23 -40.064 33.477 13.276 1.00 0.35 H new ATOM 0 HD11 ILE A 23 -37.448 30.984 11.096 1.00 0.38 H new ATOM 0 HD12 ILE A 23 -37.225 32.727 10.814 1.00 0.38 H new ATOM 0 HD13 ILE A 23 -37.780 32.147 12.402 1.00 0.38 H new ATOM 376 N SER A 24 -42.603 35.470 11.547 1.00 0.36 N ATOM 377 CA SER A 24 -43.119 36.827 11.346 1.00 0.37 C ATOM 378 C SER A 24 -41.989 37.852 11.431 1.00 0.35 C ATOM 379 O SER A 24 -41.694 38.503 10.435 1.00 0.33 O ATOM 380 CB SER A 24 -44.207 37.176 12.371 1.00 0.43 C ATOM 381 OG SER A 24 -45.196 36.162 12.419 1.00 0.71 O ATOM 0 H SER A 24 -42.790 35.100 12.479 1.00 0.36 H new ATOM 0 HA SER A 24 -43.562 36.859 10.351 1.00 0.37 H new ATOM 0 HB2 SER A 24 -43.758 37.300 13.357 1.00 0.43 H new ATOM 0 HB3 SER A 24 -44.668 38.128 12.109 1.00 0.43 H new ATOM 0 HG SER A 24 -45.879 36.402 13.079 1.00 0.71 H new ATOM 387 N SER A 25 -41.278 37.909 12.573 1.00 0.37 N ATOM 388 CA SER A 25 -40.136 38.755 12.762 1.00 0.37 C ATOM 389 C SER A 25 -39.072 38.109 13.613 1.00 0.36 C ATOM 390 O SER A 25 -37.900 38.328 13.327 1.00 0.37 O ATOM 391 CB SER A 25 -40.527 40.142 13.301 1.00 0.42 C ATOM 392 OG SER A 25 -41.401 40.749 12.371 1.00 1.04 O ATOM 0 H SER A 25 -41.505 37.347 13.394 1.00 0.37 H new ATOM 0 HA SER A 25 -39.700 38.903 11.774 1.00 0.37 H new ATOM 0 HB2 SER A 25 -41.012 40.049 14.273 1.00 0.42 H new ATOM 0 HB3 SER A 25 -39.639 40.757 13.445 1.00 0.42 H new ATOM 0 HG SER A 25 -41.663 41.635 12.698 1.00 1.04 H new ATOM 398 N ASP A 26 -39.514 37.258 14.592 1.00 0.40 N ATOM 399 CA ASP A 26 -38.753 36.962 15.795 1.00 0.44 C ATOM 400 C ASP A 26 -37.455 36.334 15.617 1.00 0.40 C ATOM 401 O ASP A 26 -36.510 36.768 16.224 1.00 0.43 O ATOM 402 CB ASP A 26 -39.657 36.094 16.775 1.00 0.49 C ATOM 403 CG ASP A 26 -39.272 36.374 18.195 1.00 0.85 C ATOM 404 OD1 ASP A 26 -38.269 35.848 18.660 1.00 1.29 O ATOM 405 OD2 ASP A 26 -40.072 37.059 18.902 1.00 0.94 O ATOM 0 H ASP A 26 -40.410 36.772 14.545 1.00 0.40 H new ATOM 0 HA ASP A 26 -38.504 37.936 16.215 1.00 0.44 H new ATOM 0 HB2 ASP A 26 -40.710 36.330 16.620 1.00 0.49 H new ATOM 0 HB3 ASP A 26 -39.533 35.033 16.556 1.00 0.49 H new ATOM 410 N VAL A 27 -37.231 35.345 14.723 1.00 0.36 N ATOM 411 CA VAL A 27 -35.853 34.838 14.350 1.00 0.35 C ATOM 412 C VAL A 27 -35.269 35.611 13.152 1.00 0.31 C ATOM 413 O VAL A 27 -34.073 35.773 12.994 1.00 0.31 O ATOM 414 CB VAL A 27 -35.869 33.391 14.097 1.00 0.37 C ATOM 415 CG1 VAL A 27 -34.477 32.784 14.375 1.00 0.46 C ATOM 416 CG2 VAL A 27 -36.897 32.776 15.071 1.00 0.58 C ATOM 0 H VAL A 27 -37.984 34.865 14.231 1.00 0.36 H new ATOM 0 HA VAL A 27 -35.197 35.018 15.202 1.00 0.35 H new ATOM 0 HB VAL A 27 -36.130 33.187 13.059 1.00 0.37 H new ATOM 0 HG11 VAL A 27 -34.503 31.711 14.184 1.00 0.46 H new ATOM 0 HG12 VAL A 27 -33.739 33.251 13.723 1.00 0.46 H new ATOM 0 HG13 VAL A 27 -34.204 32.960 15.416 1.00 0.46 H new ATOM 0 HG21 VAL A 27 -36.943 31.698 14.918 1.00 0.58 H new ATOM 0 HG22 VAL A 27 -36.596 32.985 16.098 1.00 0.58 H new ATOM 0 HG23 VAL A 27 -37.879 33.211 14.886 1.00 0.58 H new ATOM 426 N ILE A 28 -36.134 36.188 12.255 1.00 0.28 N ATOM 427 CA ILE A 28 -35.624 36.807 11.026 1.00 0.26 C ATOM 428 C ILE A 28 -34.859 38.024 11.331 1.00 0.27 C ATOM 429 O ILE A 28 -33.848 38.245 10.745 1.00 0.27 O ATOM 430 CB ILE A 28 -36.666 37.215 10.004 1.00 0.25 C ATOM 431 CG1 ILE A 28 -37.909 36.300 9.906 1.00 0.26 C ATOM 432 CG2 ILE A 28 -35.965 37.405 8.644 1.00 0.24 C ATOM 433 CD1 ILE A 28 -38.971 36.591 8.833 1.00 0.26 C ATOM 0 H ILE A 28 -37.147 36.228 12.370 1.00 0.28 H new ATOM 0 HA ILE A 28 -35.019 36.012 10.590 1.00 0.26 H new ATOM 0 HB ILE A 28 -37.097 38.155 10.349 1.00 0.25 H new ATOM 0 HG12 ILE A 28 -37.555 35.281 9.750 1.00 0.26 H new ATOM 0 HG13 ILE A 28 -38.408 36.319 10.875 1.00 0.26 H new ATOM 0 HG21 ILE A 28 -36.699 37.699 7.894 1.00 0.24 H new ATOM 0 HG22 ILE A 28 -35.205 38.181 8.732 1.00 0.24 H new ATOM 0 HG23 ILE A 28 -35.494 36.469 8.343 1.00 0.24 H new ATOM 0 HD11 ILE A 28 -39.772 35.855 8.905 1.00 0.26 H new ATOM 0 HD12 ILE A 28 -39.380 37.589 8.988 1.00 0.26 H new ATOM 0 HD13 ILE A 28 -38.515 36.535 7.845 1.00 0.26 H new ATOM 445 N GLU A 29 -35.309 38.689 12.390 1.00 0.30 N ATOM 446 CA GLU A 29 -34.533 39.825 12.933 1.00 0.32 C ATOM 447 C GLU A 29 -33.163 39.433 13.477 1.00 0.32 C ATOM 448 O GLU A 29 -32.232 40.217 13.476 1.00 0.36 O ATOM 449 CB GLU A 29 -35.300 40.715 14.002 1.00 0.38 C ATOM 450 CG GLU A 29 -35.241 40.132 15.442 1.00 0.79 C ATOM 451 CD GLU A 29 -35.938 41.068 16.415 1.00 1.14 C ATOM 452 OE1 GLU A 29 -36.546 42.075 16.008 1.00 1.29 O ATOM 453 OE2 GLU A 29 -35.784 40.837 17.645 1.00 1.48 O ATOM 0 H GLU A 29 -36.177 38.480 12.884 1.00 0.30 H new ATOM 0 HA GLU A 29 -34.387 40.445 12.049 1.00 0.32 H new ATOM 0 HB2 GLU A 29 -34.871 41.717 14.005 1.00 0.38 H new ATOM 0 HB3 GLU A 29 -36.343 40.815 13.700 1.00 0.38 H new ATOM 0 HG2 GLU A 29 -35.717 39.151 15.465 1.00 0.79 H new ATOM 0 HG3 GLU A 29 -34.203 39.990 15.743 1.00 0.79 H new ATOM 460 N LYS A 30 -33.010 38.197 13.967 1.00 0.33 N ATOM 461 CA LYS A 30 -31.748 37.654 14.503 1.00 0.37 C ATOM 462 C LYS A 30 -30.808 37.235 13.362 1.00 0.33 C ATOM 463 O LYS A 30 -29.674 37.719 13.329 1.00 0.37 O ATOM 464 CB LYS A 30 -32.050 36.475 15.454 1.00 0.45 C ATOM 465 CG LYS A 30 -33.140 36.753 16.511 1.00 0.52 C ATOM 466 CD LYS A 30 -32.860 37.955 17.433 1.00 0.76 C ATOM 467 CE LYS A 30 -33.877 38.140 18.577 1.00 0.88 C ATOM 468 NZ LYS A 30 -35.289 38.253 18.145 1.00 1.19 N ATOM 0 H LYS A 30 -33.778 37.527 14.004 1.00 0.33 H new ATOM 0 HA LYS A 30 -31.237 38.430 15.073 1.00 0.37 H new ATOM 0 HB2 LYS A 30 -32.355 35.615 14.857 1.00 0.45 H new ATOM 0 HB3 LYS A 30 -31.130 36.197 15.967 1.00 0.45 H new ATOM 0 HG2 LYS A 30 -34.088 36.920 15.999 1.00 0.52 H new ATOM 0 HG3 LYS A 30 -33.263 35.862 17.127 1.00 0.52 H new ATOM 0 HD2 LYS A 30 -31.865 37.841 17.864 1.00 0.76 H new ATOM 0 HD3 LYS A 30 -32.844 38.862 16.829 1.00 0.76 H new ATOM 0 HE2 LYS A 30 -33.788 37.297 19.262 1.00 0.88 H new ATOM 0 HE3 LYS A 30 -33.611 39.036 19.138 1.00 0.88 H new ATOM 0 HZ1 LYS A 30 -35.904 37.784 18.841 1.00 1.19 H new ATOM 0 HZ2 LYS A 30 -35.551 39.257 18.073 1.00 1.19 H new ATOM 0 HZ3 LYS A 30 -35.406 37.797 17.218 1.00 1.19 H new ATOM 482 N ALA A 31 -31.374 36.627 12.315 1.00 0.30 N ATOM 483 CA ALA A 31 -30.682 36.217 11.092 1.00 0.31 C ATOM 484 C ALA A 31 -29.920 37.370 10.432 1.00 0.32 C ATOM 485 O ALA A 31 -28.691 37.375 10.361 1.00 0.40 O ATOM 486 CB ALA A 31 -31.720 35.652 10.103 1.00 0.34 C ATOM 0 H ALA A 31 -32.368 36.398 12.297 1.00 0.30 H new ATOM 0 HA ALA A 31 -29.945 35.460 11.361 1.00 0.31 H new ATOM 0 HB1 ALA A 31 -31.218 35.342 9.186 1.00 0.34 H new ATOM 0 HB2 ALA A 31 -32.220 34.793 10.551 1.00 0.34 H new ATOM 0 HB3 ALA A 31 -32.457 36.420 9.871 1.00 0.34 H new ATOM 492 N ARG A 32 -30.647 38.440 10.092 1.00 0.28 N ATOM 493 CA ARG A 32 -30.106 39.561 9.308 1.00 0.31 C ATOM 494 C ARG A 32 -29.007 40.342 10.035 1.00 0.35 C ATOM 495 O ARG A 32 -28.177 40.941 9.366 1.00 0.43 O ATOM 496 CB ARG A 32 -31.250 40.485 8.868 1.00 0.35 C ATOM 497 CG ARG A 32 -31.916 41.270 10.005 1.00 0.34 C ATOM 498 CD ARG A 32 -33.242 41.860 9.524 1.00 0.45 C ATOM 499 NE ARG A 32 -33.848 42.723 10.563 1.00 1.13 N ATOM 500 CZ ARG A 32 -35.117 42.759 10.934 1.00 1.47 C ATOM 501 NH1 ARG A 32 -36.032 42.027 10.359 1.00 1.06 N ATOM 502 NH2 ARG A 32 -35.484 43.527 11.921 1.00 2.40 N ATOM 0 H ARG A 32 -31.627 38.555 10.351 1.00 0.28 H new ATOM 0 HA ARG A 32 -29.623 39.134 8.429 1.00 0.31 H new ATOM 0 HB2 ARG A 32 -30.865 41.193 8.134 1.00 0.35 H new ATOM 0 HB3 ARG A 32 -32.009 39.886 8.365 1.00 0.35 H new ATOM 0 HG2 ARG A 32 -32.088 40.615 10.859 1.00 0.34 H new ATOM 0 HG3 ARG A 32 -31.255 42.068 10.344 1.00 0.34 H new ATOM 0 HD2 ARG A 32 -33.078 42.440 8.616 1.00 0.45 H new ATOM 0 HD3 ARG A 32 -33.931 41.055 9.268 1.00 0.45 H new ATOM 0 HE ARG A 32 -33.216 43.361 11.047 1.00 1.13 H new ATOM 0 HH11 ARG A 32 -35.778 41.400 9.596 1.00 1.06 H new ATOM 0 HH12 ARG A 32 -37.001 42.082 10.673 1.00 1.06 H new ATOM 0 HH21 ARG A 32 -34.793 44.099 12.406 1.00 2.40 H new ATOM 0 HH22 ARG A 32 -36.462 43.556 12.208 1.00 2.40 H new ATOM 516 N ASN A 33 -28.985 40.347 11.376 1.00 0.35 N ATOM 517 CA ASN A 33 -28.025 41.178 12.101 1.00 0.42 C ATOM 518 C ASN A 33 -26.834 40.220 12.400 1.00 0.38 C ATOM 519 O ASN A 33 -25.902 40.121 11.597 1.00 0.47 O ATOM 520 CB ASN A 33 -28.694 41.609 13.480 1.00 0.53 C ATOM 521 CG ASN A 33 -29.544 42.820 13.299 1.00 0.68 C ATOM 522 OD1 ASN A 33 -28.980 43.919 13.157 1.00 1.09 O ATOM 523 ND2 ASN A 33 -30.900 42.748 13.500 1.00 0.61 N ATOM 0 H ASN A 33 -29.608 39.796 11.966 1.00 0.35 H new ATOM 0 HA ASN A 33 -27.720 42.069 11.552 1.00 0.42 H new ATOM 0 HB2 ASN A 33 -29.299 40.789 13.868 1.00 0.53 H new ATOM 0 HB3 ASN A 33 -27.918 41.811 14.219 1.00 0.53 H new ATOM 0 HD21 ASN A 33 -31.457 43.602 13.534 1.00 0.61 H new ATOM 0 HD22 ASN A 33 -31.351 41.840 13.615 1.00 0.61 H new ATOM 530 N PHE A 34 -26.752 39.596 13.586 1.00 0.35 N ATOM 531 CA PHE A 34 -25.720 38.666 14.060 1.00 0.42 C ATOM 532 C PHE A 34 -25.763 37.172 13.724 1.00 0.46 C ATOM 533 O PHE A 34 -24.720 36.541 13.852 1.00 0.78 O ATOM 534 CB PHE A 34 -25.611 38.759 15.621 1.00 0.52 C ATOM 535 CG PHE A 34 -26.905 38.913 16.333 1.00 0.94 C ATOM 536 CD1 PHE A 34 -27.773 37.777 16.521 1.00 0.75 C ATOM 537 CD2 PHE A 34 -27.214 40.178 16.819 1.00 1.98 C ATOM 538 CE1 PHE A 34 -29.008 38.028 17.060 1.00 1.54 C ATOM 539 CE2 PHE A 34 -28.337 40.360 17.594 1.00 2.84 C ATOM 540 CZ PHE A 34 -29.265 39.322 17.652 1.00 2.62 C ATOM 0 H PHE A 34 -27.468 39.743 14.297 1.00 0.35 H new ATOM 0 HA PHE A 34 -24.872 39.028 13.479 1.00 0.42 H new ATOM 0 HB2 PHE A 34 -25.115 37.861 15.990 1.00 0.52 H new ATOM 0 HB3 PHE A 34 -24.971 39.604 15.876 1.00 0.52 H new ATOM 0 HD1 PHE A 34 -27.465 36.778 16.250 1.00 0.75 H new ATOM 0 HD2 PHE A 34 -26.574 41.017 16.589 1.00 1.98 H new ATOM 0 HE1 PHE A 34 -29.778 37.271 17.043 1.00 1.54 H new ATOM 0 HE2 PHE A 34 -28.494 41.278 18.140 1.00 2.84 H new ATOM 0 HZ PHE A 34 -30.206 39.489 18.155 1.00 2.62 H new ATOM 550 N LYS A 35 -26.799 36.628 13.059 1.00 0.33 N ATOM 551 CA LYS A 35 -26.891 35.184 12.688 1.00 0.36 C ATOM 552 C LYS A 35 -26.888 34.216 13.892 1.00 0.37 C ATOM 553 O LYS A 35 -26.889 34.657 15.048 1.00 0.53 O ATOM 554 CB LYS A 35 -25.803 34.772 11.658 1.00 0.58 C ATOM 555 CG LYS A 35 -25.787 35.528 10.322 1.00 1.15 C ATOM 556 CD LYS A 35 -24.872 36.766 10.326 1.00 1.36 C ATOM 557 CE LYS A 35 -25.059 37.591 9.053 1.00 1.90 C ATOM 558 NZ LYS A 35 -26.349 38.314 9.060 1.00 2.56 N ATOM 0 H LYS A 35 -27.607 37.173 12.757 1.00 0.33 H new ATOM 0 HA LYS A 35 -27.871 35.088 12.220 1.00 0.36 H new ATOM 0 HB2 LYS A 35 -24.827 34.895 12.128 1.00 0.58 H new ATOM 0 HB3 LYS A 35 -25.923 33.710 11.445 1.00 0.58 H new ATOM 0 HG2 LYS A 35 -25.462 34.849 9.534 1.00 1.15 H new ATOM 0 HG3 LYS A 35 -26.803 35.838 10.077 1.00 1.15 H new ATOM 0 HD2 LYS A 35 -25.092 37.382 11.198 1.00 1.36 H new ATOM 0 HD3 LYS A 35 -23.831 36.453 10.411 1.00 1.36 H new ATOM 0 HE2 LYS A 35 -24.241 38.305 8.958 1.00 1.90 H new ATOM 0 HE3 LYS A 35 -25.013 36.935 8.183 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 -26.778 38.268 8.114 1.00 2.56 H new ATOM 0 HZ2 LYS A 35 -26.989 37.875 9.752 1.00 2.56 H new ATOM 0 HZ3 LYS A 35 -26.188 39.308 9.319 1.00 2.56 H new ATOM 572 N ILE A 36 -27.041 32.903 13.650 1.00 0.35 N ATOM 573 CA ILE A 36 -27.319 31.945 14.632 1.00 0.35 C ATOM 574 C ILE A 36 -26.172 30.925 14.820 1.00 0.34 C ATOM 575 O ILE A 36 -25.473 30.492 13.899 1.00 0.43 O ATOM 576 CB ILE A 36 -28.686 31.295 14.323 1.00 0.37 C ATOM 577 CG1 ILE A 36 -29.911 32.260 14.506 1.00 0.44 C ATOM 578 CG2 ILE A 36 -28.937 30.051 15.161 1.00 0.36 C ATOM 579 CD1 ILE A 36 -29.962 32.896 15.817 1.00 0.41 C ATOM 0 H ILE A 36 -26.963 32.505 12.714 1.00 0.35 H new ATOM 0 HA ILE A 36 -27.388 32.437 15.602 1.00 0.35 H new ATOM 0 HB ILE A 36 -28.613 31.031 13.268 1.00 0.37 H new ATOM 0 HG12 ILE A 36 -29.872 33.032 13.738 1.00 0.44 H new ATOM 0 HG13 ILE A 36 -30.832 31.699 14.348 1.00 0.44 H new ATOM 0 HG21 ILE A 36 -29.910 29.631 14.907 1.00 0.36 H new ATOM 0 HG22 ILE A 36 -28.160 29.314 14.959 1.00 0.36 H new ATOM 0 HG23 ILE A 36 -28.921 30.315 16.218 1.00 0.36 H new ATOM 0 HD11 ILE A 36 -30.834 33.548 15.871 1.00 0.41 H new ATOM 0 HD12 ILE A 36 -30.032 32.131 16.590 1.00 0.41 H new ATOM 0 HD13 ILE A 36 -29.058 33.485 15.971 1.00 0.41 H new ATOM 591 N VAL A 37 -25.998 30.514 16.085 1.00 0.30 N ATOM 592 CA VAL A 37 -25.124 29.399 16.506 1.00 0.27 C ATOM 593 C VAL A 37 -25.889 28.138 16.920 1.00 0.25 C ATOM 594 O VAL A 37 -26.986 28.209 17.478 1.00 0.31 O ATOM 595 CB VAL A 37 -24.003 29.821 17.476 1.00 0.30 C ATOM 596 CG1 VAL A 37 -23.450 31.216 17.167 1.00 0.83 C ATOM 597 CG2 VAL A 37 -24.444 29.812 18.943 1.00 0.85 C ATOM 0 H VAL A 37 -26.474 30.959 16.870 1.00 0.30 H new ATOM 0 HA VAL A 37 -24.591 29.098 15.604 1.00 0.27 H new ATOM 0 HB VAL A 37 -23.226 29.072 17.326 1.00 0.30 H new ATOM 0 HG11 VAL A 37 -22.664 31.462 17.881 1.00 0.83 H new ATOM 0 HG12 VAL A 37 -23.041 31.230 16.157 1.00 0.83 H new ATOM 0 HG13 VAL A 37 -24.252 31.950 17.243 1.00 0.83 H new ATOM 0 HG21 VAL A 37 -23.611 30.118 19.575 1.00 0.85 H new ATOM 0 HG22 VAL A 37 -25.275 30.504 19.077 1.00 0.85 H new ATOM 0 HG23 VAL A 37 -24.761 28.807 19.222 1.00 0.85 H new ATOM 607 N THR A 38 -25.258 26.984 16.734 1.00 0.25 N ATOM 608 CA THR A 38 -25.860 25.663 16.680 1.00 0.25 C ATOM 609 C THR A 38 -25.314 24.779 17.817 1.00 0.23 C ATOM 610 O THR A 38 -24.096 24.716 17.967 1.00 0.24 O ATOM 611 CB THR A 38 -25.319 24.961 15.413 1.00 0.29 C ATOM 612 OG1 THR A 38 -25.495 25.805 14.312 1.00 0.39 O ATOM 613 CG2 THR A 38 -25.801 23.562 15.183 1.00 0.28 C ATOM 0 H THR A 38 -24.246 26.947 16.609 1.00 0.25 H new ATOM 0 HA THR A 38 -26.943 25.778 16.723 1.00 0.25 H new ATOM 0 HB THR A 38 -24.254 24.796 15.575 1.00 0.29 H new ATOM 0 HG1 THR A 38 -24.622 26.019 13.921 1.00 0.39 H new ATOM 0 HG21 THR A 38 -25.358 23.170 14.268 1.00 0.28 H new ATOM 0 HG22 THR A 38 -25.510 22.934 16.025 1.00 0.28 H new ATOM 0 HG23 THR A 38 -26.887 23.562 15.089 1.00 0.28 H new ATOM 621 N GLU A 39 -26.187 23.993 18.381 1.00 0.22 N ATOM 622 CA GLU A 39 -25.769 23.005 19.361 1.00 0.20 C ATOM 623 C GLU A 39 -26.518 21.684 19.125 1.00 0.18 C ATOM 624 O GLU A 39 -27.725 21.681 19.033 1.00 0.20 O ATOM 625 CB GLU A 39 -26.076 23.355 20.835 1.00 0.24 C ATOM 626 CG GLU A 39 -25.285 24.586 21.266 1.00 0.56 C ATOM 627 CD GLU A 39 -25.240 24.704 22.805 1.00 0.99 C ATOM 628 OE1 GLU A 39 -26.328 24.755 23.486 1.00 1.41 O ATOM 629 OE2 GLU A 39 -24.114 24.615 23.400 1.00 1.41 O ATOM 0 H GLU A 39 -27.188 24.009 18.187 1.00 0.22 H new ATOM 0 HA GLU A 39 -24.689 22.953 19.222 1.00 0.20 H new ATOM 0 HB2 GLU A 39 -27.143 23.540 20.957 1.00 0.24 H new ATOM 0 HB3 GLU A 39 -25.824 22.510 21.476 1.00 0.24 H new ATOM 0 HG2 GLU A 39 -24.270 24.527 20.872 1.00 0.56 H new ATOM 0 HG3 GLU A 39 -25.740 25.481 20.842 1.00 0.56 H new ATOM 636 N VAL A 40 -25.766 20.589 19.112 1.00 0.17 N ATOM 637 CA VAL A 40 -26.256 19.253 18.787 1.00 0.18 C ATOM 638 C VAL A 40 -25.895 18.249 19.861 1.00 0.19 C ATOM 639 O VAL A 40 -24.710 18.054 20.139 1.00 0.20 O ATOM 640 CB VAL A 40 -25.747 18.771 17.419 1.00 0.17 C ATOM 641 CG1 VAL A 40 -26.494 17.507 16.977 1.00 0.19 C ATOM 642 CG2 VAL A 40 -25.815 19.865 16.360 1.00 0.19 C ATOM 0 H VAL A 40 -24.770 20.606 19.333 1.00 0.17 H new ATOM 0 HA VAL A 40 -27.342 19.327 18.736 1.00 0.18 H new ATOM 0 HB VAL A 40 -24.693 18.518 17.533 1.00 0.17 H new ATOM 0 HG11 VAL A 40 -26.118 17.183 16.006 1.00 0.19 H new ATOM 0 HG12 VAL A 40 -26.336 16.716 17.710 1.00 0.19 H new ATOM 0 HG13 VAL A 40 -27.560 17.722 16.900 1.00 0.19 H new ATOM 0 HG21 VAL A 40 -25.445 19.476 15.411 1.00 0.19 H new ATOM 0 HG22 VAL A 40 -26.848 20.192 16.240 1.00 0.19 H new ATOM 0 HG23 VAL A 40 -25.201 20.710 16.670 1.00 0.19 H new ATOM 652 N GLN A 41 -26.875 17.436 20.237 1.00 0.22 N ATOM 653 CA GLN A 41 -26.670 16.196 20.978 1.00 0.27 C ATOM 654 C GLN A 41 -27.561 15.121 20.352 1.00 0.27 C ATOM 655 O GLN A 41 -28.746 15.339 20.157 1.00 0.31 O ATOM 656 CB GLN A 41 -26.930 16.437 22.474 1.00 0.41 C ATOM 657 CG GLN A 41 -26.752 15.179 23.341 1.00 0.37 C ATOM 658 CD GLN A 41 -27.979 14.265 23.361 1.00 1.30 C ATOM 659 OE1 GLN A 41 -29.113 14.709 23.465 1.00 2.15 O ATOM 660 NE2 GLN A 41 -27.790 12.963 23.338 1.00 2.00 N ATOM 0 H GLN A 41 -27.856 17.624 20.031 1.00 0.22 H new ATOM 0 HA GLN A 41 -25.640 15.845 20.913 1.00 0.27 H new ATOM 0 HB2 GLN A 41 -26.253 17.213 22.831 1.00 0.41 H new ATOM 0 HB3 GLN A 41 -27.944 16.815 22.602 1.00 0.41 H new ATOM 0 HG2 GLN A 41 -25.895 14.614 22.974 1.00 0.37 H new ATOM 0 HG3 GLN A 41 -26.520 15.482 24.362 1.00 0.37 H new ATOM 0 HE21 GLN A 41 -26.846 12.586 23.251 1.00 2.00 H new ATOM 0 HE22 GLN A 41 -28.587 12.331 23.407 1.00 2.00 H new ATOM 669 N GLN A 42 -26.957 14.055 19.845 1.00 0.27 N ATOM 670 CA GLN A 42 -27.627 13.104 18.961 1.00 0.30 C ATOM 671 C GLN A 42 -27.026 11.723 19.167 1.00 0.33 C ATOM 672 O GLN A 42 -25.800 11.589 19.144 1.00 0.42 O ATOM 673 CB GLN A 42 -27.463 13.603 17.518 1.00 0.43 C ATOM 674 CG GLN A 42 -28.054 12.667 16.453 1.00 0.51 C ATOM 675 CD GLN A 42 -27.710 13.150 15.051 1.00 0.77 C ATOM 676 OE1 GLN A 42 -27.104 12.579 14.153 1.00 1.16 O ATOM 677 NE2 GLN A 42 -28.118 14.363 14.731 1.00 0.73 N ATOM 0 H GLN A 42 -25.982 13.822 20.035 1.00 0.27 H new ATOM 0 HA GLN A 42 -28.692 13.029 19.182 1.00 0.30 H new ATOM 0 HB2 GLN A 42 -27.936 14.581 17.428 1.00 0.43 H new ATOM 0 HB3 GLN A 42 -26.402 13.743 17.313 1.00 0.43 H new ATOM 0 HG2 GLN A 42 -27.670 11.657 16.598 1.00 0.51 H new ATOM 0 HG3 GLN A 42 -29.137 12.616 16.569 1.00 0.51 H new ATOM 0 HE21 GLN A 42 -28.633 14.924 15.410 1.00 0.73 H new ATOM 0 HE22 GLN A 42 -27.919 14.740 13.805 1.00 0.73 H new ATOM 686 N ASP A 43 -27.882 10.717 19.321 1.00 0.31 N ATOM 687 CA ASP A 43 -27.463 9.350 19.620 1.00 0.36 C ATOM 688 C ASP A 43 -28.452 8.372 18.956 1.00 0.37 C ATOM 689 O ASP A 43 -29.635 8.285 19.301 1.00 0.38 O ATOM 690 CB ASP A 43 -27.392 9.152 21.141 1.00 0.43 C ATOM 691 CG ASP A 43 -26.689 7.847 21.520 1.00 0.97 C ATOM 692 OD1 ASP A 43 -26.183 7.172 20.595 1.00 1.01 O ATOM 693 OD2 ASP A 43 -26.367 7.744 22.720 1.00 1.68 O ATOM 0 H ASP A 43 -28.893 10.827 19.241 1.00 0.31 H new ATOM 0 HA ASP A 43 -26.468 9.156 19.220 1.00 0.36 H new ATOM 0 HB2 ASP A 43 -26.863 9.992 21.591 1.00 0.43 H new ATOM 0 HB3 ASP A 43 -28.401 9.153 21.554 1.00 0.43 H new ATOM 698 N GLY A 44 -27.981 7.746 17.879 1.00 0.43 N ATOM 699 CA GLY A 44 -28.664 6.712 17.172 1.00 0.50 C ATOM 700 C GLY A 44 -29.982 7.244 16.485 1.00 0.60 C ATOM 701 O GLY A 44 -29.935 7.799 15.365 1.00 1.24 O ATOM 0 H GLY A 44 -27.072 7.970 17.473 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -28.003 6.292 16.414 1.00 0.50 H new ATOM 0 HA3 GLY A 44 -28.913 5.904 17.860 1.00 0.50 H new ATOM 705 N GLN A 45 -31.151 6.942 17.062 1.00 0.34 N ATOM 706 CA GLN A 45 -32.395 7.327 16.531 1.00 0.30 C ATOM 707 C GLN A 45 -32.944 8.583 17.244 1.00 0.29 C ATOM 708 O GLN A 45 -33.950 9.141 16.769 1.00 0.32 O ATOM 709 CB GLN A 45 -33.318 6.109 16.776 1.00 0.31 C ATOM 710 CG GLN A 45 -34.498 6.107 15.808 1.00 0.32 C ATOM 711 CD GLN A 45 -35.305 4.814 16.009 1.00 0.76 C ATOM 712 OE1 GLN A 45 -35.430 4.308 17.154 1.00 1.37 O ATOM 713 NE2 GLN A 45 -35.884 4.318 14.915 1.00 1.02 N ATOM 0 H GLN A 45 -31.223 6.410 17.929 1.00 0.34 H new ATOM 0 HA GLN A 45 -32.324 7.589 15.475 1.00 0.30 H new ATOM 0 HB2 GLN A 45 -32.747 5.188 16.660 1.00 0.31 H new ATOM 0 HB3 GLN A 45 -33.686 6.129 17.802 1.00 0.31 H new ATOM 0 HG2 GLN A 45 -35.131 6.977 15.983 1.00 0.32 H new ATOM 0 HG3 GLN A 45 -34.142 6.173 14.780 1.00 0.32 H new ATOM 0 HE21 GLN A 45 -35.745 4.774 14.013 1.00 1.02 H new ATOM 0 HE22 GLN A 45 -36.466 3.483 14.980 1.00 1.02 H new ATOM 722 N ASP A 46 -32.381 8.990 18.390 1.00 0.30 N ATOM 723 CA ASP A 46 -32.764 10.212 19.103 1.00 0.34 C ATOM 724 C ASP A 46 -31.896 11.436 18.801 1.00 0.35 C ATOM 725 O ASP A 46 -30.662 11.419 18.852 1.00 0.49 O ATOM 726 CB ASP A 46 -33.053 10.004 20.601 1.00 0.40 C ATOM 727 CG ASP A 46 -34.467 9.492 20.931 1.00 1.10 C ATOM 728 OD1 ASP A 46 -35.264 9.240 19.997 1.00 1.18 O ATOM 729 OD2 ASP A 46 -34.845 9.666 22.112 1.00 1.85 O ATOM 0 H ASP A 46 -31.636 8.470 18.853 1.00 0.30 H new ATOM 0 HA ASP A 46 -33.730 10.467 18.667 1.00 0.34 H new ATOM 0 HB2 ASP A 46 -32.326 9.297 21.000 1.00 0.40 H new ATOM 0 HB3 ASP A 46 -32.896 10.950 21.120 1.00 0.40 H new ATOM 734 N PHE A 47 -32.571 12.517 18.429 1.00 0.26 N ATOM 735 CA PHE A 47 -31.998 13.706 17.829 1.00 0.26 C ATOM 736 C PHE A 47 -32.334 14.939 18.643 1.00 0.19 C ATOM 737 O PHE A 47 -33.506 15.306 18.753 1.00 0.21 O ATOM 738 CB PHE A 47 -32.455 13.865 16.366 1.00 0.31 C ATOM 739 CG PHE A 47 -31.862 12.867 15.387 1.00 1.56 C ATOM 740 CD1 PHE A 47 -32.184 11.509 15.496 1.00 2.65 C ATOM 741 CD2 PHE A 47 -30.984 13.285 14.371 1.00 1.72 C ATOM 742 CE1 PHE A 47 -31.571 10.558 14.666 1.00 3.87 C ATOM 743 CE2 PHE A 47 -30.363 12.329 13.544 1.00 2.93 C ATOM 744 CZ PHE A 47 -30.646 10.965 13.698 1.00 3.99 C ATOM 0 H PHE A 47 -33.582 12.587 18.545 1.00 0.26 H new ATOM 0 HA PHE A 47 -30.914 13.591 17.827 1.00 0.26 H new ATOM 0 HB2 PHE A 47 -33.541 13.781 16.331 1.00 0.31 H new ATOM 0 HB3 PHE A 47 -32.202 14.871 16.031 1.00 0.31 H new ATOM 0 HD1 PHE A 47 -32.912 11.190 16.227 1.00 2.65 H new ATOM 0 HD2 PHE A 47 -30.786 14.337 14.225 1.00 1.72 H new ATOM 0 HE1 PHE A 47 -31.813 9.511 14.774 1.00 3.87 H new ATOM 0 HE2 PHE A 47 -29.664 12.649 12.786 1.00 2.93 H new ATOM 0 HZ PHE A 47 -30.154 10.233 13.074 1.00 3.99 H new ATOM 754 N THR A 48 -31.334 15.680 19.113 1.00 0.22 N ATOM 755 CA THR A 48 -31.479 17.052 19.560 1.00 0.23 C ATOM 756 C THR A 48 -30.766 18.127 18.773 1.00 0.21 C ATOM 757 O THR A 48 -29.567 17.991 18.596 1.00 0.21 O ATOM 758 CB THR A 48 -31.036 17.377 20.984 1.00 0.25 C ATOM 759 OG1 THR A 48 -31.812 16.670 21.944 1.00 0.27 O ATOM 760 CG2 THR A 48 -31.257 18.855 21.376 1.00 0.29 C ATOM 0 H THR A 48 -30.379 15.329 19.193 1.00 0.22 H new ATOM 0 HA THR A 48 -32.561 17.079 19.430 1.00 0.23 H new ATOM 0 HB THR A 48 -29.979 17.111 20.989 1.00 0.25 H new ATOM 0 HG1 THR A 48 -31.226 16.096 22.480 1.00 0.27 H new ATOM 0 HG21 THR A 48 -30.920 19.014 22.400 1.00 0.29 H new ATOM 0 HG22 THR A 48 -30.690 19.499 20.703 1.00 0.29 H new ATOM 0 HG23 THR A 48 -32.317 19.097 21.301 1.00 0.29 H new ATOM 768 N TRP A 49 -31.535 18.941 18.055 1.00 0.23 N ATOM 769 CA TRP A 49 -31.106 20.171 17.404 1.00 0.24 C ATOM 770 C TRP A 49 -31.408 21.327 18.357 1.00 0.25 C ATOM 771 O TRP A 49 -32.558 21.490 18.755 1.00 0.29 O ATOM 772 CB TRP A 49 -31.847 20.262 16.051 1.00 0.29 C ATOM 773 CG TRP A 49 -31.912 21.543 15.256 1.00 0.26 C ATOM 774 CD1 TRP A 49 -32.103 22.808 15.714 1.00 0.29 C ATOM 775 CD2 TRP A 49 -32.028 21.656 13.801 1.00 0.23 C ATOM 776 NE1 TRP A 49 -32.243 23.671 14.647 1.00 0.29 N ATOM 777 CE2 TRP A 49 -32.253 23.015 13.446 1.00 0.25 C ATOM 778 CE3 TRP A 49 -32.028 20.732 12.744 1.00 0.22 C ATOM 779 CZ2 TRP A 49 -32.401 23.450 12.124 1.00 0.24 C ATOM 780 CZ3 TRP A 49 -32.173 21.149 11.404 1.00 0.21 C ATOM 781 CH2 TRP A 49 -32.327 22.506 11.089 1.00 0.22 C ATOM 0 H TRP A 49 -32.525 18.749 17.905 1.00 0.23 H new ATOM 0 HA TRP A 49 -30.038 20.203 17.190 1.00 0.24 H new ATOM 0 HB2 TRP A 49 -31.402 19.510 15.399 1.00 0.29 H new ATOM 0 HB3 TRP A 49 -32.876 19.955 16.236 1.00 0.29 H new ATOM 0 HD1 TRP A 49 -32.140 23.094 16.755 1.00 0.29 H new ATOM 0 HE1 TRP A 49 -32.329 24.683 14.742 1.00 0.29 H new ATOM 0 HE3 TRP A 49 -31.915 19.680 12.961 1.00 0.22 H new ATOM 0 HZ2 TRP A 49 -32.569 24.494 11.905 1.00 0.24 H new ATOM 0 HZ3 TRP A 49 -32.165 20.414 10.612 1.00 0.21 H new ATOM 0 HH2 TRP A 49 -32.388 22.822 10.058 1.00 0.22 H new ATOM 792 N SER A 50 -30.430 22.147 18.738 1.00 0.23 N ATOM 793 CA SER A 50 -30.662 23.282 19.609 1.00 0.25 C ATOM 794 C SER A 50 -29.963 24.445 18.947 1.00 0.26 C ATOM 795 O SER A 50 -28.992 24.249 18.193 1.00 0.32 O ATOM 796 CB SER A 50 -30.194 23.150 21.077 1.00 0.26 C ATOM 797 OG SER A 50 -31.042 22.330 21.850 1.00 1.22 O ATOM 0 H SER A 50 -29.458 22.038 18.448 1.00 0.23 H new ATOM 0 HA SER A 50 -31.741 23.396 19.714 1.00 0.25 H new ATOM 0 HB2 SER A 50 -29.184 22.740 21.096 1.00 0.26 H new ATOM 0 HB3 SER A 50 -30.145 24.141 21.528 1.00 0.26 H new ATOM 0 HG SER A 50 -30.701 22.279 22.767 1.00 1.22 H new ATOM 803 N GLN A 51 -30.376 25.674 19.151 1.00 0.26 N ATOM 804 CA GLN A 51 -29.782 26.837 18.659 1.00 0.27 C ATOM 805 C GLN A 51 -29.899 28.007 19.643 1.00 0.28 C ATOM 806 O GLN A 51 -30.704 28.041 20.553 1.00 0.31 O ATOM 807 CB GLN A 51 -30.452 27.277 17.379 1.00 0.35 C ATOM 808 CG GLN A 51 -30.428 26.325 16.153 1.00 0.53 C ATOM 809 CD GLN A 51 -31.277 26.920 15.026 1.00 0.69 C ATOM 810 OE1 GLN A 51 -30.668 27.471 14.112 1.00 1.50 O ATOM 811 NE2 GLN A 51 -32.601 26.654 14.926 1.00 0.53 N ATOM 0 H GLN A 51 -31.204 25.872 19.713 1.00 0.26 H new ATOM 0 HA GLN A 51 -28.733 26.592 18.496 1.00 0.27 H new ATOM 0 HB2 GLN A 51 -31.496 27.490 17.610 1.00 0.35 H new ATOM 0 HB3 GLN A 51 -29.994 28.218 17.074 1.00 0.35 H new ATOM 0 HG2 GLN A 51 -29.403 26.180 15.812 1.00 0.53 H new ATOM 0 HG3 GLN A 51 -30.813 25.344 16.433 1.00 0.53 H new ATOM 0 HE21 GLN A 51 -33.089 26.196 15.696 1.00 0.53 H new ATOM 0 HE22 GLN A 51 -33.111 26.912 14.081 1.00 0.53 H new ATOM 820 N HIS A 52 -29.030 28.993 19.409 1.00 0.36 N ATOM 821 CA HIS A 52 -28.990 30.248 20.153 1.00 0.39 C ATOM 822 C HIS A 52 -28.937 31.459 19.230 1.00 0.41 C ATOM 823 O HIS A 52 -27.965 31.639 18.501 1.00 0.45 O ATOM 824 CB HIS A 52 -27.813 30.235 21.140 1.00 0.41 C ATOM 825 CG HIS A 52 -27.828 29.073 22.098 1.00 0.85 C ATOM 826 ND1 HIS A 52 -28.684 28.910 23.171 1.00 1.08 N ATOM 827 CD2 HIS A 52 -26.964 28.014 22.097 1.00 1.97 C ATOM 828 CE1 HIS A 52 -28.365 27.765 23.800 1.00 1.53 C ATOM 829 NE2 HIS A 52 -27.320 27.207 23.167 1.00 2.21 N ATOM 0 H HIS A 52 -28.319 28.937 18.679 1.00 0.36 H new ATOM 0 HA HIS A 52 -29.917 30.336 20.720 1.00 0.39 H new ATOM 0 HB2 HIS A 52 -26.880 30.216 20.576 1.00 0.41 H new ATOM 0 HB3 HIS A 52 -27.821 31.163 21.711 1.00 0.41 H new ATOM 0 HD2 HIS A 52 -26.159 27.839 21.398 1.00 1.97 H new ATOM 0 HE1 HIS A 52 -28.865 27.362 24.668 1.00 1.53 H new ATOM 0 HE2 HIS A 52 -26.864 26.334 23.430 1.00 2.21 H new ATOM 837 N TYR A 53 -29.870 32.385 19.511 1.00 0.42 N ATOM 838 CA TYR A 53 -29.720 33.803 19.188 1.00 0.45 C ATOM 839 C TYR A 53 -28.442 34.255 19.905 1.00 0.57 C ATOM 840 O TYR A 53 -28.368 34.203 21.142 1.00 0.67 O ATOM 841 CB TYR A 53 -30.887 34.678 19.711 1.00 0.52 C ATOM 842 CG TYR A 53 -32.357 34.395 19.402 1.00 0.55 C ATOM 843 CD1 TYR A 53 -32.792 33.391 18.511 1.00 0.53 C ATOM 844 CD2 TYR A 53 -33.322 35.224 20.012 1.00 0.67 C ATOM 845 CE1 TYR A 53 -34.171 33.222 18.262 1.00 0.62 C ATOM 846 CE2 TYR A 53 -34.702 35.054 19.768 1.00 0.75 C ATOM 847 CZ TYR A 53 -35.134 34.049 18.881 1.00 0.72 C ATOM 848 OH TYR A 53 -36.461 33.825 18.688 1.00 0.84 O ATOM 0 H TYR A 53 -30.753 32.163 19.972 1.00 0.42 H new ATOM 0 HA TYR A 53 -29.696 33.920 18.105 1.00 0.45 H new ATOM 0 HB2 TYR A 53 -30.799 34.690 20.797 1.00 0.52 H new ATOM 0 HB3 TYR A 53 -30.690 35.692 19.364 1.00 0.52 H new ATOM 0 HD1 TYR A 53 -32.071 32.753 18.021 1.00 0.53 H new ATOM 0 HD2 TYR A 53 -32.997 36.007 20.681 1.00 0.67 H new ATOM 0 HE1 TYR A 53 -34.496 32.446 17.585 1.00 0.62 H new ATOM 0 HE2 TYR A 53 -35.423 35.691 20.259 1.00 0.75 H new ATOM 0 HH TYR A 53 -36.954 34.665 18.798 1.00 0.84 H new ATOM 858 N SER A 54 -27.475 34.759 19.143 1.00 0.99 N ATOM 859 CA SER A 54 -26.360 35.525 19.698 1.00 1.16 C ATOM 860 C SER A 54 -26.920 36.740 20.455 1.00 1.53 C ATOM 861 O SER A 54 -27.857 37.377 19.987 1.00 2.11 O ATOM 862 CB SER A 54 -25.391 35.928 18.579 1.00 1.49 C ATOM 863 OG SER A 54 -24.863 34.746 18.008 1.00 2.57 O ATOM 0 H SER A 54 -27.441 34.650 18.129 1.00 0.99 H new ATOM 0 HA SER A 54 -25.793 34.919 20.404 1.00 1.16 H new ATOM 0 HB2 SER A 54 -25.908 36.518 17.822 1.00 1.49 H new ATOM 0 HB3 SER A 54 -24.589 36.550 18.976 1.00 1.49 H new ATOM 0 HG SER A 54 -24.241 34.980 17.288 1.00 2.57 H new ATOM 869 N GLY A 55 -26.559 36.875 21.735 1.00 1.89 N ATOM 870 CA GLY A 55 -27.193 37.835 22.655 1.00 2.45 C ATOM 871 C GLY A 55 -28.224 37.255 23.638 1.00 1.85 C ATOM 872 O GLY A 55 -28.545 37.937 24.605 1.00 2.24 O ATOM 0 H GLY A 55 -25.818 36.323 22.167 1.00 1.89 H new ATOM 0 HA2 GLY A 55 -26.409 38.326 23.231 1.00 2.45 H new ATOM 0 HA3 GLY A 55 -27.683 38.607 22.061 1.00 2.45 H new ATOM 876 N GLY A 56 -28.584 35.964 23.548 1.00 1.21 N ATOM 877 CA GLY A 56 -29.179 35.225 24.681 1.00 1.54 C ATOM 878 C GLY A 56 -30.668 34.871 24.556 1.00 1.32 C ATOM 879 O GLY A 56 -31.475 35.197 25.425 1.00 1.56 O ATOM 0 H GLY A 56 -28.474 35.407 22.701 1.00 1.21 H new ATOM 0 HA2 GLY A 56 -28.618 34.301 24.819 1.00 1.54 H new ATOM 0 HA3 GLY A 56 -29.043 35.818 25.585 1.00 1.54 H new ATOM 883 N HIS A 57 -30.988 33.954 23.642 1.00 0.94 N ATOM 884 CA HIS A 57 -32.238 33.163 23.659 1.00 0.81 C ATOM 885 C HIS A 57 -31.978 31.789 23.046 1.00 0.66 C ATOM 886 O HIS A 57 -31.038 31.652 22.261 1.00 0.63 O ATOM 887 CB HIS A 57 -33.336 33.895 22.873 1.00 0.85 C ATOM 888 CG HIS A 57 -34.704 33.962 23.501 1.00 0.92 C ATOM 889 ND1 HIS A 57 -35.901 33.624 22.884 1.00 0.89 N ATOM 890 CD2 HIS A 57 -34.998 34.541 24.705 1.00 1.08 C ATOM 891 CE1 HIS A 57 -36.907 34.000 23.701 1.00 1.05 C ATOM 892 NE2 HIS A 57 -36.382 34.549 24.817 1.00 1.17 N ATOM 0 H HIS A 57 -30.382 33.730 22.853 1.00 0.94 H new ATOM 0 HA HIS A 57 -32.573 33.039 24.689 1.00 0.81 H new ATOM 0 HB2 HIS A 57 -32.998 34.915 22.690 1.00 0.85 H new ATOM 0 HB3 HIS A 57 -33.434 33.413 21.900 1.00 0.85 H new ATOM 0 HD2 HIS A 57 -34.291 34.919 25.428 1.00 1.08 H new ATOM 0 HE1 HIS A 57 -37.961 33.881 23.496 1.00 1.05 H new ATOM 0 HE2 HIS A 57 -36.913 34.909 25.610 1.00 1.17 H new ATOM 900 N THR A 58 -32.768 30.770 23.396 1.00 0.61 N ATOM 901 CA THR A 58 -32.451 29.408 23.114 1.00 0.54 C ATOM 902 C THR A 58 -33.761 28.834 22.420 1.00 0.53 C ATOM 903 O THR A 58 -34.855 29.139 22.874 1.00 0.64 O ATOM 904 CB THR A 58 -32.105 28.646 24.393 1.00 0.61 C ATOM 905 OG1 THR A 58 -30.920 29.211 24.824 1.00 0.73 O ATOM 906 CG2 THR A 58 -31.903 27.124 24.062 1.00 0.60 C ATOM 0 H THR A 58 -33.653 30.892 23.889 1.00 0.61 H new ATOM 0 HA THR A 58 -31.574 29.306 22.475 1.00 0.54 H new ATOM 0 HB THR A 58 -32.887 28.709 25.150 1.00 0.61 H new ATOM 0 HG1 THR A 58 -30.322 29.340 24.059 1.00 0.73 H new ATOM 0 HG21 THR A 58 -31.656 26.583 24.975 1.00 0.60 H new ATOM 0 HG22 THR A 58 -32.821 26.719 23.637 1.00 0.60 H new ATOM 0 HG23 THR A 58 -31.091 27.013 23.344 1.00 0.60 H new ATOM 914 N MET A 59 -33.593 28.091 21.338 1.00 0.47 N ATOM 915 CA MET A 59 -34.666 27.385 20.644 1.00 0.53 C ATOM 916 C MET A 59 -34.208 25.940 20.461 1.00 0.45 C ATOM 917 O MET A 59 -33.036 25.711 20.155 1.00 0.52 O ATOM 918 CB MET A 59 -35.049 28.115 19.343 1.00 0.70 C ATOM 919 CG MET A 59 -33.893 28.365 18.363 1.00 0.68 C ATOM 920 SD MET A 59 -34.196 29.773 17.264 1.00 1.13 S ATOM 921 CE MET A 59 -32.588 30.021 16.471 1.00 0.46 C ATOM 0 H MET A 59 -32.680 27.956 20.903 1.00 0.47 H new ATOM 0 HA MET A 59 -35.591 27.372 21.220 1.00 0.53 H new ATOM 0 HB2 MET A 59 -35.816 27.533 18.832 1.00 0.70 H new ATOM 0 HB3 MET A 59 -35.496 29.074 19.603 1.00 0.70 H new ATOM 0 HG2 MET A 59 -32.977 28.540 18.927 1.00 0.68 H new ATOM 0 HG3 MET A 59 -33.732 27.470 17.763 1.00 0.68 H new ATOM 0 HE1 MET A 59 -32.478 31.069 16.191 1.00 0.46 H new ATOM 0 HE2 MET A 59 -31.794 29.745 17.165 1.00 0.46 H new ATOM 0 HE3 MET A 59 -32.523 29.398 15.579 1.00 0.46 H new ATOM 931 N THR A 60 -34.998 25.009 21.001 1.00 0.42 N ATOM 932 CA THR A 60 -34.653 23.582 21.067 1.00 0.40 C ATOM 933 C THR A 60 -35.674 22.693 20.399 1.00 0.38 C ATOM 934 O THR A 60 -36.866 22.794 20.682 1.00 0.49 O ATOM 935 CB THR A 60 -34.157 23.044 22.423 1.00 0.54 C ATOM 936 OG1 THR A 60 -35.188 22.505 23.224 1.00 0.68 O ATOM 937 CG2 THR A 60 -33.453 24.076 23.295 1.00 0.53 C ATOM 0 H THR A 60 -35.907 25.225 21.410 1.00 0.42 H new ATOM 0 HA THR A 60 -33.747 23.531 20.463 1.00 0.40 H new ATOM 0 HB THR A 60 -33.452 22.273 22.113 1.00 0.54 H new ATOM 0 HG1 THR A 60 -34.811 22.180 24.068 1.00 0.68 H new ATOM 0 HG21 THR A 60 -33.138 23.610 24.229 1.00 0.53 H new ATOM 0 HG22 THR A 60 -32.579 24.461 22.769 1.00 0.53 H new ATOM 0 HG23 THR A 60 -34.137 24.897 23.512 1.00 0.53 H new ATOM 945 N ASN A 61 -35.163 21.794 19.573 1.00 0.30 N ATOM 946 CA ASN A 61 -35.885 20.951 18.674 1.00 0.29 C ATOM 947 C ASN A 61 -35.501 19.472 18.855 1.00 0.30 C ATOM 948 O ASN A 61 -34.575 18.917 18.253 1.00 0.52 O ATOM 949 CB ASN A 61 -35.728 21.242 17.136 1.00 0.32 C ATOM 950 CG ASN A 61 -35.868 22.745 16.744 1.00 0.45 C ATOM 951 OD1 ASN A 61 -36.359 23.609 17.424 1.00 0.84 O ATOM 952 ND2 ASN A 61 -35.453 23.053 15.518 1.00 0.47 N ATOM 0 H ASN A 61 -34.157 21.634 19.521 1.00 0.30 H new ATOM 0 HA ASN A 61 -36.915 21.175 18.952 1.00 0.29 H new ATOM 0 HB2 ASN A 61 -34.752 20.884 16.809 1.00 0.32 H new ATOM 0 HB3 ASN A 61 -36.477 20.667 16.592 1.00 0.32 H new ATOM 0 HD21 ASN A 61 -35.554 24.007 15.170 1.00 0.47 H new ATOM 0 HD22 ASN A 61 -35.034 22.336 14.926 1.00 0.47 H new ATOM 959 N LYS A 62 -36.226 18.728 19.684 1.00 0.29 N ATOM 960 CA LYS A 62 -35.884 17.406 20.142 1.00 0.29 C ATOM 961 C LYS A 62 -36.874 16.437 19.533 1.00 0.29 C ATOM 962 O LYS A 62 -38.094 16.709 19.487 1.00 0.39 O ATOM 963 CB LYS A 62 -35.955 17.361 21.692 1.00 0.28 C ATOM 964 CG LYS A 62 -34.863 18.056 22.433 1.00 0.31 C ATOM 965 CD LYS A 62 -34.935 17.732 24.004 1.00 0.43 C ATOM 966 CE LYS A 62 -33.598 17.761 24.707 1.00 0.46 C ATOM 967 NZ LYS A 62 -32.894 16.532 24.404 1.00 0.83 N ATOM 0 H LYS A 62 -37.112 19.057 20.068 1.00 0.29 H new ATOM 0 HA LYS A 62 -34.871 17.137 19.842 1.00 0.29 H new ATOM 0 HB2 LYS A 62 -36.906 17.795 22.002 1.00 0.28 H new ATOM 0 HB3 LYS A 62 -35.965 16.316 22.002 1.00 0.28 H new ATOM 0 HG2 LYS A 62 -33.896 17.745 22.038 1.00 0.31 H new ATOM 0 HG3 LYS A 62 -34.940 19.132 22.276 1.00 0.31 H new ATOM 0 HD2 LYS A 62 -35.599 18.452 24.482 1.00 0.43 H new ATOM 0 HD3 LYS A 62 -35.382 16.747 24.140 1.00 0.43 H new ATOM 0 HE2 LYS A 62 -33.016 18.622 24.379 1.00 0.46 H new ATOM 0 HE3 LYS A 62 -33.738 17.862 25.783 1.00 0.46 H new ATOM 0 HZ1 LYS A 62 -31.943 16.564 24.825 1.00 0.83 H new ATOM 0 HZ2 LYS A 62 -33.420 15.725 24.797 1.00 0.83 H new ATOM 0 HZ3 LYS A 62 -32.813 16.424 23.373 1.00 0.83 H new ATOM 981 N PHE A 63 -36.401 15.339 18.892 1.00 0.27 N ATOM 982 CA PHE A 63 -37.223 14.440 18.190 1.00 0.25 C ATOM 983 C PHE A 63 -36.526 13.108 18.017 1.00 0.22 C ATOM 984 O PHE A 63 -35.353 12.912 18.333 1.00 0.22 O ATOM 985 CB PHE A 63 -37.793 14.959 16.871 1.00 0.30 C ATOM 986 CG PHE A 63 -36.733 15.084 15.811 1.00 0.30 C ATOM 987 CD1 PHE A 63 -35.776 16.161 15.968 1.00 0.53 C ATOM 988 CD2 PHE A 63 -36.637 14.176 14.776 1.00 0.34 C ATOM 989 CE1 PHE A 63 -34.660 16.145 15.098 1.00 0.58 C ATOM 990 CE2 PHE A 63 -35.614 14.230 13.872 1.00 0.40 C ATOM 991 CZ PHE A 63 -34.608 15.173 14.040 1.00 0.42 C ATOM 0 H PHE A 63 -35.413 15.088 18.874 1.00 0.27 H new ATOM 0 HA PHE A 63 -38.105 14.310 18.818 1.00 0.25 H new ATOM 0 HB2 PHE A 63 -38.576 14.285 16.524 1.00 0.30 H new ATOM 0 HB3 PHE A 63 -38.259 15.931 17.034 1.00 0.30 H new ATOM 0 HD1 PHE A 63 -35.908 16.935 16.710 1.00 0.53 H new ATOM 0 HD2 PHE A 63 -37.387 13.405 14.679 1.00 0.34 H new ATOM 0 HE1 PHE A 63 -33.856 16.855 15.227 1.00 0.58 H new ATOM 0 HE2 PHE A 63 -35.588 13.547 13.036 1.00 0.40 H new ATOM 0 HZ PHE A 63 -33.768 15.176 13.361 1.00 0.42 H new ATOM 1001 N THR A 64 -37.272 12.137 17.483 1.00 0.21 N ATOM 1002 CA THR A 64 -36.801 10.796 17.081 1.00 0.19 C ATOM 1003 C THR A 64 -36.911 10.642 15.559 1.00 0.18 C ATOM 1004 O THR A 64 -37.945 10.995 14.992 1.00 0.21 O ATOM 1005 CB THR A 64 -37.619 9.702 17.789 1.00 0.22 C ATOM 1006 OG1 THR A 64 -37.643 9.887 19.185 1.00 0.29 O ATOM 1007 CG2 THR A 64 -37.212 8.264 17.483 1.00 0.21 C ATOM 0 H THR A 64 -38.269 12.264 17.308 1.00 0.21 H new ATOM 0 HA THR A 64 -35.757 10.687 17.375 1.00 0.19 H new ATOM 0 HB THR A 64 -38.616 9.830 17.367 1.00 0.22 H new ATOM 0 HG1 THR A 64 -36.733 10.052 19.509 1.00 0.29 H new ATOM 0 HG21 THR A 64 -37.855 7.579 18.035 1.00 0.21 H new ATOM 0 HG22 THR A 64 -37.315 8.076 16.414 1.00 0.21 H new ATOM 0 HG23 THR A 64 -36.175 8.108 17.781 1.00 0.21 H new ATOM 1015 N VAL A 65 -35.889 10.139 14.860 1.00 0.18 N ATOM 1016 CA VAL A 65 -35.976 9.888 13.407 1.00 0.19 C ATOM 1017 C VAL A 65 -36.883 8.702 13.046 1.00 0.18 C ATOM 1018 O VAL A 65 -36.935 7.716 13.776 1.00 0.25 O ATOM 1019 CB VAL A 65 -34.585 9.863 12.742 1.00 0.28 C ATOM 1020 CG1 VAL A 65 -33.874 8.516 12.886 1.00 0.60 C ATOM 1021 CG2 VAL A 65 -34.654 10.218 11.253 1.00 0.86 C ATOM 0 H VAL A 65 -34.988 9.895 15.272 1.00 0.18 H new ATOM 0 HA VAL A 65 -36.489 10.744 12.968 1.00 0.19 H new ATOM 0 HB VAL A 65 -34.009 10.619 13.275 1.00 0.28 H new ATOM 0 HG11 VAL A 65 -32.901 8.564 12.397 1.00 0.60 H new ATOM 0 HG12 VAL A 65 -33.738 8.288 13.943 1.00 0.60 H new ATOM 0 HG13 VAL A 65 -34.476 7.735 12.421 1.00 0.60 H new ATOM 0 HG21 VAL A 65 -33.652 10.188 10.825 1.00 0.86 H new ATOM 0 HG22 VAL A 65 -35.291 9.499 10.737 1.00 0.86 H new ATOM 0 HG23 VAL A 65 -35.069 11.219 11.137 1.00 0.86 H new ATOM 1031 N GLY A 66 -37.682 8.817 11.979 1.00 0.16 N ATOM 1032 CA GLY A 66 -38.750 7.852 11.664 1.00 0.19 C ATOM 1033 C GLY A 66 -40.010 7.978 12.536 1.00 0.20 C ATOM 1034 O GLY A 66 -40.833 7.067 12.573 1.00 0.26 O ATOM 0 H GLY A 66 -37.609 9.581 11.307 1.00 0.16 H new ATOM 0 HA2 GLY A 66 -39.035 7.975 10.619 1.00 0.19 H new ATOM 0 HA3 GLY A 66 -38.351 6.843 11.770 1.00 0.19 H new ATOM 1038 N LYS A 67 -40.160 9.082 13.276 1.00 0.18 N ATOM 1039 CA LYS A 67 -41.211 9.479 14.169 1.00 0.20 C ATOM 1040 C LYS A 67 -41.941 10.606 13.561 1.00 0.21 C ATOM 1041 O LYS A 67 -41.359 11.542 13.004 1.00 0.41 O ATOM 1042 CB LYS A 67 -40.792 9.827 15.588 1.00 0.35 C ATOM 1043 CG LYS A 67 -41.832 9.724 16.719 1.00 0.36 C ATOM 1044 CD LYS A 67 -42.160 8.271 17.057 1.00 0.65 C ATOM 1045 CE LYS A 67 -41.959 7.936 18.568 1.00 0.84 C ATOM 1046 NZ LYS A 67 -42.371 6.580 18.905 1.00 1.54 N ATOM 0 H LYS A 67 -39.439 9.803 13.244 1.00 0.18 H new ATOM 0 HA LYS A 67 -41.841 8.598 14.293 1.00 0.20 H new ATOM 0 HB2 LYS A 67 -39.954 9.182 15.851 1.00 0.35 H new ATOM 0 HB3 LYS A 67 -40.416 10.850 15.579 1.00 0.35 H new ATOM 0 HG2 LYS A 67 -41.453 10.227 17.608 1.00 0.36 H new ATOM 0 HG3 LYS A 67 -42.744 10.243 16.423 1.00 0.36 H new ATOM 0 HD2 LYS A 67 -43.193 8.063 16.779 1.00 0.65 H new ATOM 0 HD3 LYS A 67 -41.530 7.613 16.458 1.00 0.65 H new ATOM 0 HE2 LYS A 67 -40.909 8.067 18.828 1.00 0.84 H new ATOM 0 HE3 LYS A 67 -42.527 8.644 19.171 1.00 0.84 H new ATOM 0 HZ1 LYS A 67 -42.216 6.412 19.920 1.00 1.54 H new ATOM 0 HZ2 LYS A 67 -43.380 6.459 18.684 1.00 1.54 H new ATOM 0 HZ3 LYS A 67 -41.812 5.900 18.352 1.00 1.54 H new ATOM 1060 N GLU A 68 -43.260 10.529 13.737 1.00 0.20 N ATOM 1061 CA GLU A 68 -44.105 11.634 13.397 1.00 0.23 C ATOM 1062 C GLU A 68 -44.520 12.490 14.549 1.00 0.29 C ATOM 1063 O GLU A 68 -44.527 12.069 15.713 1.00 0.38 O ATOM 1064 CB GLU A 68 -45.360 11.127 12.690 1.00 0.28 C ATOM 1065 CG GLU A 68 -46.250 12.183 11.906 1.00 0.36 C ATOM 1066 CD GLU A 68 -47.456 11.462 11.327 1.00 0.49 C ATOM 1067 OE1 GLU A 68 -48.441 11.038 12.027 1.00 0.62 O ATOM 1068 OE2 GLU A 68 -47.570 11.662 10.081 1.00 0.57 O ATOM 0 H GLU A 68 -43.747 9.714 14.110 1.00 0.20 H new ATOM 0 HA GLU A 68 -43.499 12.266 12.748 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -45.056 10.355 11.983 1.00 0.28 H new ATOM 0 HB3 GLU A 68 -45.992 10.645 13.436 1.00 0.28 H new ATOM 0 HG2 GLU A 68 -46.571 12.980 12.577 1.00 0.36 H new ATOM 0 HG3 GLU A 68 -45.670 12.651 11.110 1.00 0.36 H new ATOM 1075 N SER A 69 -44.822 13.763 14.264 1.00 0.29 N ATOM 1076 CA SER A 69 -45.509 14.744 15.129 1.00 0.34 C ATOM 1077 C SER A 69 -44.767 15.354 16.323 1.00 0.34 C ATOM 1078 O SER A 69 -45.220 16.397 16.794 1.00 0.40 O ATOM 1079 CB SER A 69 -46.895 14.230 15.544 1.00 0.43 C ATOM 1080 OG SER A 69 -46.807 13.272 16.576 1.00 1.30 O ATOM 0 H SER A 69 -44.578 14.168 13.360 1.00 0.29 H new ATOM 0 HA SER A 69 -45.576 15.605 14.464 1.00 0.34 H new ATOM 0 HB2 SER A 69 -47.510 15.067 15.875 1.00 0.43 H new ATOM 0 HB3 SER A 69 -47.394 13.790 14.680 1.00 0.43 H new ATOM 0 HG SER A 69 -46.005 12.724 16.446 1.00 1.30 H new ATOM 1086 N ASN A 70 -43.558 14.897 16.661 1.00 0.32 N ATOM 1087 CA ASN A 70 -42.716 15.542 17.668 1.00 0.38 C ATOM 1088 C ASN A 70 -41.657 16.495 17.065 1.00 0.34 C ATOM 1089 O ASN A 70 -40.536 16.544 17.554 1.00 0.37 O ATOM 1090 CB ASN A 70 -42.127 14.452 18.581 1.00 0.49 C ATOM 1091 CG ASN A 70 -41.587 15.058 19.867 1.00 0.63 C ATOM 1092 OD1 ASN A 70 -42.209 15.916 20.470 1.00 0.98 O ATOM 1093 ND2 ASN A 70 -40.573 14.472 20.450 1.00 0.85 N ATOM 0 H ASN A 70 -43.136 14.068 16.242 1.00 0.32 H new ATOM 0 HA ASN A 70 -43.330 16.208 18.274 1.00 0.38 H new ATOM 0 HB2 ASN A 70 -42.894 13.714 18.816 1.00 0.49 H new ATOM 0 HB3 ASN A 70 -41.328 13.926 18.058 1.00 0.49 H new ATOM 0 HD21 ASN A 70 -40.310 14.734 21.400 1.00 0.85 H new ATOM 0 HD22 ASN A 70 -40.046 13.753 19.955 1.00 0.85 H new ATOM 1100 N ILE A 71 -41.932 17.153 15.933 1.00 0.30 N ATOM 1101 CA ILE A 71 -40.961 17.980 15.180 1.00 0.28 C ATOM 1102 C ILE A 71 -41.281 19.476 15.346 1.00 0.29 C ATOM 1103 O ILE A 71 -42.445 19.853 15.229 1.00 0.30 O ATOM 1104 CB ILE A 71 -40.952 17.529 13.697 1.00 0.24 C ATOM 1105 CG1 ILE A 71 -40.093 16.270 13.443 1.00 0.24 C ATOM 1106 CG2 ILE A 71 -40.428 18.624 12.755 1.00 0.23 C ATOM 1107 CD1 ILE A 71 -40.613 14.977 14.081 1.00 0.24 C ATOM 0 H ILE A 71 -42.855 17.130 15.499 1.00 0.30 H new ATOM 0 HA ILE A 71 -39.957 17.836 15.579 1.00 0.28 H new ATOM 0 HB ILE A 71 -41.998 17.307 13.487 1.00 0.24 H new ATOM 0 HG12 ILE A 71 -40.013 16.117 12.367 1.00 0.24 H new ATOM 0 HG13 ILE A 71 -39.085 16.458 13.814 1.00 0.24 H new ATOM 0 HG21 ILE A 71 -40.442 18.258 11.728 1.00 0.23 H new ATOM 0 HG22 ILE A 71 -41.063 19.507 12.834 1.00 0.23 H new ATOM 0 HG23 ILE A 71 -39.407 18.885 13.033 1.00 0.23 H new ATOM 0 HD11 ILE A 71 -39.937 14.156 13.841 1.00 0.24 H new ATOM 0 HD12 ILE A 71 -40.665 15.100 15.163 1.00 0.24 H new ATOM 0 HD13 ILE A 71 -41.607 14.754 13.693 1.00 0.24 H new ATOM 1119 N GLN A 72 -40.287 20.332 15.603 1.00 0.29 N ATOM 1120 CA GLN A 72 -40.465 21.781 15.796 1.00 0.33 C ATOM 1121 C GLN A 72 -39.667 22.580 14.760 1.00 0.31 C ATOM 1122 O GLN A 72 -38.607 22.145 14.339 1.00 0.29 O ATOM 1123 CB GLN A 72 -40.047 22.222 17.215 1.00 0.38 C ATOM 1124 CG GLN A 72 -40.708 21.434 18.361 1.00 0.46 C ATOM 1125 CD GLN A 72 -40.100 20.046 18.576 1.00 0.95 C ATOM 1126 OE1 GLN A 72 -38.937 19.790 18.309 1.00 1.15 O ATOM 1127 NE2 GLN A 72 -40.872 19.068 18.983 1.00 1.96 N ATOM 0 H GLN A 72 -39.315 20.034 15.685 1.00 0.29 H new ATOM 0 HA GLN A 72 -41.527 21.987 15.665 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -38.965 22.127 17.305 1.00 0.38 H new ATOM 0 HB3 GLN A 72 -40.285 23.279 17.336 1.00 0.38 H new ATOM 0 HG2 GLN A 72 -40.620 22.007 19.284 1.00 0.46 H new ATOM 0 HG3 GLN A 72 -41.772 21.328 18.152 1.00 0.46 H new ATOM 0 HE21 GLN A 72 -41.849 19.251 19.214 1.00 1.96 H new ATOM 0 HE22 GLN A 72 -40.496 18.124 19.069 1.00 1.96 H new ATOM 1136 N THR A 73 -40.174 23.740 14.362 1.00 0.36 N ATOM 1137 CA THR A 73 -39.590 24.827 13.583 1.00 0.38 C ATOM 1138 C THR A 73 -38.639 25.749 14.250 1.00 0.42 C ATOM 1139 O THR A 73 -38.299 25.612 15.432 1.00 0.43 O ATOM 1140 CB THR A 73 -40.612 25.616 12.875 1.00 0.42 C ATOM 1141 OG1 THR A 73 -41.473 26.265 13.810 1.00 0.48 O ATOM 1142 CG2 THR A 73 -41.558 24.755 12.014 1.00 0.40 C ATOM 0 H THR A 73 -41.135 23.971 14.612 1.00 0.36 H new ATOM 0 HA THR A 73 -38.967 24.260 12.892 1.00 0.38 H new ATOM 0 HB THR A 73 -40.047 26.308 12.250 1.00 0.42 H new ATOM 0 HG1 THR A 73 -42.112 26.831 13.328 1.00 0.48 H new ATOM 0 HG21 THR A 73 -42.286 25.398 11.520 1.00 0.40 H new ATOM 0 HG22 THR A 73 -40.979 24.218 11.263 1.00 0.40 H new ATOM 0 HG23 THR A 73 -42.079 24.039 12.650 1.00 0.40 H new ATOM 1150 N MET A 74 -38.171 26.819 13.570 1.00 0.45 N ATOM 1151 CA MET A 74 -37.222 27.820 14.114 1.00 0.51 C ATOM 1152 C MET A 74 -37.823 28.644 15.244 1.00 0.60 C ATOM 1153 O MET A 74 -37.220 28.834 16.294 1.00 0.78 O ATOM 1154 CB MET A 74 -36.832 28.864 13.051 1.00 0.63 C ATOM 1155 CG MET A 74 -35.440 29.422 13.323 1.00 0.69 C ATOM 1156 SD MET A 74 -34.124 28.317 12.768 1.00 1.11 S ATOM 1157 CE MET A 74 -33.677 29.187 11.255 1.00 0.59 C ATOM 0 H MET A 74 -38.447 27.016 12.608 1.00 0.45 H new ATOM 0 HA MET A 74 -36.373 27.229 14.456 1.00 0.51 H new ATOM 0 HB2 MET A 74 -36.859 28.409 12.061 1.00 0.63 H new ATOM 0 HB3 MET A 74 -37.560 29.676 13.048 1.00 0.63 H new ATOM 0 HG2 MET A 74 -35.335 30.385 12.823 1.00 0.69 H new ATOM 0 HG3 MET A 74 -35.329 29.604 14.392 1.00 0.69 H new ATOM 0 HE1 MET A 74 -33.177 28.499 10.574 1.00 0.59 H new ATOM 0 HE2 MET A 74 -34.577 29.578 10.780 1.00 0.59 H new ATOM 0 HE3 MET A 74 -33.006 30.012 11.494 1.00 0.59 H new ATOM 1167 N GLY A 75 -39.005 29.188 14.971 1.00 0.57 N ATOM 1168 CA GLY A 75 -39.773 29.976 15.870 1.00 0.65 C ATOM 1169 C GLY A 75 -40.300 29.064 17.032 1.00 0.64 C ATOM 1170 O GLY A 75 -40.701 29.534 18.101 1.00 0.73 O ATOM 0 H GLY A 75 -39.458 29.073 14.064 1.00 0.57 H new ATOM 0 HA2 GLY A 75 -39.165 30.786 16.274 1.00 0.65 H new ATOM 0 HA3 GLY A 75 -40.610 30.437 15.345 1.00 0.65 H new ATOM 1174 N GLY A 76 -40.213 27.737 16.834 1.00 0.56 N ATOM 1175 CA GLY A 76 -40.581 26.682 17.767 1.00 0.57 C ATOM 1176 C GLY A 76 -41.987 26.133 17.538 1.00 0.58 C ATOM 1177 O GLY A 76 -42.617 25.696 18.506 1.00 0.63 O ATOM 0 H GLY A 76 -39.859 27.358 15.956 1.00 0.56 H new ATOM 0 HA2 GLY A 76 -39.863 25.867 17.684 1.00 0.57 H new ATOM 0 HA3 GLY A 76 -40.510 27.066 18.785 1.00 0.57 H new ATOM 1181 N LYS A 77 -42.584 26.252 16.339 1.00 0.54 N ATOM 1182 CA LYS A 77 -43.950 25.774 16.131 1.00 0.56 C ATOM 1183 C LYS A 77 -43.908 24.287 15.814 1.00 0.49 C ATOM 1184 O LYS A 77 -43.220 23.864 14.906 1.00 0.43 O ATOM 1185 CB LYS A 77 -44.592 26.513 14.869 1.00 0.59 C ATOM 1186 CG LYS A 77 -46.009 26.048 14.573 1.00 0.67 C ATOM 1187 CD LYS A 77 -46.450 26.591 13.241 1.00 0.74 C ATOM 1188 CE LYS A 77 -48.008 26.325 13.002 1.00 1.17 C ATOM 1189 NZ LYS A 77 -49.008 27.070 13.788 1.00 1.76 N ATOM 0 H LYS A 77 -42.147 26.668 15.517 1.00 0.54 H new ATOM 0 HA LYS A 77 -44.537 25.971 17.028 1.00 0.56 H new ATOM 0 HB2 LYS A 77 -44.597 27.588 15.047 1.00 0.59 H new ATOM 0 HB3 LYS A 77 -43.966 26.338 13.994 1.00 0.59 H new ATOM 0 HG2 LYS A 77 -46.051 24.959 14.565 1.00 0.67 H new ATOM 0 HG3 LYS A 77 -46.685 26.387 15.358 1.00 0.67 H new ATOM 0 HD2 LYS A 77 -46.249 27.661 13.196 1.00 0.74 H new ATOM 0 HD3 LYS A 77 -45.871 26.124 12.444 1.00 0.74 H new ATOM 0 HE2 LYS A 77 -48.213 26.518 11.949 1.00 1.17 H new ATOM 0 HE3 LYS A 77 -48.186 25.263 13.172 1.00 1.17 H new ATOM 0 HZ1 LYS A 77 -49.964 26.773 13.504 1.00 1.76 H new ATOM 0 HZ2 LYS A 77 -48.871 26.874 14.800 1.00 1.76 H new ATOM 0 HZ3 LYS A 77 -48.896 28.089 13.615 1.00 1.76 H new ATOM 1203 N THR A 78 -44.601 23.469 16.597 1.00 0.50 N ATOM 1204 CA THR A 78 -44.734 22.035 16.299 1.00 0.45 C ATOM 1205 C THR A 78 -45.472 21.741 14.997 1.00 0.44 C ATOM 1206 O THR A 78 -46.645 22.107 14.879 1.00 0.51 O ATOM 1207 CB THR A 78 -45.294 21.215 17.480 1.00 0.50 C ATOM 1208 OG1 THR A 78 -44.916 21.782 18.713 1.00 0.54 O ATOM 1209 CG2 THR A 78 -44.848 19.756 17.476 1.00 0.45 C ATOM 0 H THR A 78 -45.082 23.768 17.445 1.00 0.50 H new ATOM 0 HA THR A 78 -43.710 21.695 16.144 1.00 0.45 H new ATOM 0 HB THR A 78 -46.376 21.241 17.354 1.00 0.50 H new ATOM 0 HG1 THR A 78 -45.284 21.246 19.446 1.00 0.54 H new ATOM 0 HG21 THR A 78 -45.280 19.241 18.334 1.00 0.45 H new ATOM 0 HG22 THR A 78 -45.185 19.275 16.558 1.00 0.45 H new ATOM 0 HG23 THR A 78 -43.761 19.708 17.533 1.00 0.45 H new ATOM 1217 N PHE A 79 -44.878 20.958 14.087 1.00 0.35 N ATOM 1218 CA PHE A 79 -45.594 20.350 12.962 1.00 0.32 C ATOM 1219 C PHE A 79 -45.456 18.836 12.782 1.00 0.30 C ATOM 1220 O PHE A 79 -44.473 18.206 13.164 1.00 0.32 O ATOM 1221 CB PHE A 79 -45.486 21.244 11.710 1.00 0.29 C ATOM 1222 CG PHE A 79 -44.124 21.714 11.218 1.00 0.26 C ATOM 1223 CD1 PHE A 79 -42.956 20.969 11.462 1.00 0.24 C ATOM 1224 CD2 PHE A 79 -44.061 22.825 10.353 1.00 0.27 C ATOM 1225 CE1 PHE A 79 -41.738 21.338 10.858 1.00 0.22 C ATOM 1226 CE2 PHE A 79 -42.851 23.181 9.736 1.00 0.26 C ATOM 1227 CZ PHE A 79 -41.689 22.434 9.979 1.00 0.23 C ATOM 0 H PHE A 79 -43.884 20.729 14.112 1.00 0.35 H new ATOM 0 HA PHE A 79 -46.652 20.341 13.226 1.00 0.32 H new ATOM 0 HB2 PHE A 79 -45.958 20.707 10.888 1.00 0.29 H new ATOM 0 HB3 PHE A 79 -46.087 22.134 11.896 1.00 0.29 H new ATOM 0 HD1 PHE A 79 -42.993 20.110 12.116 1.00 0.24 H new ATOM 0 HD2 PHE A 79 -44.951 23.407 10.163 1.00 0.27 H new ATOM 0 HE1 PHE A 79 -40.840 20.778 11.071 1.00 0.22 H new ATOM 0 HE2 PHE A 79 -42.815 24.032 9.072 1.00 0.26 H new ATOM 0 HZ PHE A 79 -40.762 22.699 9.493 1.00 0.23 H new ATOM 1237 N LYS A 80 -46.452 18.250 12.101 1.00 0.30 N ATOM 1238 CA LYS A 80 -46.621 16.806 11.864 1.00 0.31 C ATOM 1239 C LYS A 80 -45.780 16.249 10.704 1.00 0.27 C ATOM 1240 O LYS A 80 -46.327 15.813 9.702 1.00 0.27 O ATOM 1241 CB LYS A 80 -48.117 16.465 11.714 1.00 0.37 C ATOM 1242 CG LYS A 80 -48.955 16.817 12.956 1.00 0.76 C ATOM 1243 CD LYS A 80 -50.429 16.435 12.744 1.00 0.51 C ATOM 1244 CE LYS A 80 -51.323 16.888 13.906 1.00 1.43 C ATOM 1245 NZ LYS A 80 -51.017 16.165 15.168 1.00 1.96 N ATOM 0 H LYS A 80 -47.201 18.798 11.678 1.00 0.30 H new ATOM 0 HA LYS A 80 -46.227 16.300 12.745 1.00 0.31 H new ATOM 0 HB2 LYS A 80 -48.518 16.998 10.852 1.00 0.37 H new ATOM 0 HB3 LYS A 80 -48.220 15.400 11.506 1.00 0.37 H new ATOM 0 HG2 LYS A 80 -48.560 16.294 13.827 1.00 0.76 H new ATOM 0 HG3 LYS A 80 -48.877 17.884 13.163 1.00 0.76 H new ATOM 0 HD2 LYS A 80 -50.788 16.882 11.817 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -50.508 15.354 12.628 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -51.196 17.959 14.063 1.00 1.43 H new ATOM 0 HE3 LYS A 80 -52.368 16.727 13.642 1.00 1.43 H new ATOM 0 HZ1 LYS A 80 -51.646 16.504 15.924 1.00 1.96 H new ATOM 0 HZ2 LYS A 80 -51.163 15.145 15.028 1.00 1.96 H new ATOM 0 HZ3 LYS A 80 -50.027 16.339 15.437 1.00 1.96 H new ATOM 1259 N ALA A 81 -44.455 16.347 10.804 1.00 0.25 N ATOM 1260 CA ALA A 81 -43.523 15.708 9.869 1.00 0.21 C ATOM 1261 C ALA A 81 -43.077 14.330 10.381 1.00 0.20 C ATOM 1262 O ALA A 81 -42.847 14.203 11.583 1.00 0.22 O ATOM 1263 CB ALA A 81 -42.300 16.615 9.698 1.00 0.19 C ATOM 0 H ALA A 81 -43.992 16.877 11.542 1.00 0.25 H new ATOM 0 HA ALA A 81 -44.027 15.563 8.913 1.00 0.21 H new ATOM 0 HB1 ALA A 81 -41.598 16.152 9.005 1.00 0.19 H new ATOM 0 HB2 ALA A 81 -42.616 17.581 9.304 1.00 0.19 H new ATOM 0 HB3 ALA A 81 -41.815 16.758 10.664 1.00 0.19 H new ATOM 1269 N THR A 82 -42.709 13.416 9.470 1.00 0.19 N ATOM 1270 CA THR A 82 -41.714 12.352 9.734 1.00 0.18 C ATOM 1271 C THR A 82 -40.387 12.740 9.105 1.00 0.16 C ATOM 1272 O THR A 82 -40.313 12.824 7.861 1.00 0.18 O ATOM 1273 CB THR A 82 -42.072 10.970 9.184 1.00 0.23 C ATOM 1274 OG1 THR A 82 -43.312 10.471 9.715 1.00 0.28 O ATOM 1275 CG2 THR A 82 -40.994 9.970 9.476 1.00 0.24 C ATOM 0 H THR A 82 -43.091 13.390 8.525 1.00 0.19 H new ATOM 0 HA THR A 82 -41.677 12.271 10.820 1.00 0.18 H new ATOM 0 HB THR A 82 -42.178 11.099 8.107 1.00 0.23 H new ATOM 0 HG1 THR A 82 -43.499 9.588 9.334 1.00 0.28 H new ATOM 0 HG21 THR A 82 -41.280 8.999 9.072 1.00 0.24 H new ATOM 0 HG22 THR A 82 -40.062 10.295 9.015 1.00 0.24 H new ATOM 0 HG23 THR A 82 -40.856 9.888 10.554 1.00 0.24 H new ATOM 1283 N VAL A 83 -39.314 12.960 9.919 1.00 0.14 N ATOM 1284 CA VAL A 83 -37.959 13.128 9.479 1.00 0.14 C ATOM 1285 C VAL A 83 -37.383 11.733 9.052 1.00 0.15 C ATOM 1286 O VAL A 83 -37.572 10.741 9.757 1.00 0.18 O ATOM 1287 CB VAL A 83 -37.038 13.643 10.584 1.00 0.14 C ATOM 1288 CG1 VAL A 83 -35.760 14.181 9.954 1.00 0.17 C ATOM 1289 CG2 VAL A 83 -37.803 14.810 11.191 1.00 0.17 C ATOM 0 H VAL A 83 -39.408 13.022 10.933 1.00 0.14 H new ATOM 0 HA VAL A 83 -37.986 13.849 8.662 1.00 0.14 H new ATOM 0 HB VAL A 83 -36.776 12.873 11.310 1.00 0.14 H new ATOM 0 HG11 VAL A 83 -35.097 14.551 10.736 1.00 0.17 H new ATOM 0 HG12 VAL A 83 -35.262 13.383 9.403 1.00 0.17 H new ATOM 0 HG13 VAL A 83 -36.005 14.995 9.272 1.00 0.17 H new ATOM 0 HG21 VAL A 83 -37.217 15.248 11.999 1.00 0.17 H new ATOM 0 HG22 VAL A 83 -37.985 15.564 10.425 1.00 0.17 H new ATOM 0 HG23 VAL A 83 -38.756 14.455 11.584 1.00 0.17 H new ATOM 1299 N GLN A 84 -36.793 11.616 7.870 1.00 0.14 N ATOM 1300 CA GLN A 84 -36.055 10.419 7.454 1.00 0.15 C ATOM 1301 C GLN A 84 -34.549 10.735 7.476 1.00 0.15 C ATOM 1302 O GLN A 84 -34.155 11.892 7.656 1.00 0.16 O ATOM 1303 CB GLN A 84 -36.594 9.893 6.103 1.00 0.17 C ATOM 1304 CG GLN A 84 -38.124 9.661 6.065 1.00 0.19 C ATOM 1305 CD GLN A 84 -38.802 10.111 4.767 1.00 0.24 C ATOM 1306 OE1 GLN A 84 -38.525 11.144 4.178 1.00 0.51 O ATOM 1307 NE2 GLN A 84 -39.878 9.457 4.383 1.00 0.52 N ATOM 0 H GLN A 84 -36.810 12.352 7.164 1.00 0.14 H new ATOM 0 HA GLN A 84 -36.208 9.594 8.150 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -36.328 10.603 5.320 1.00 0.17 H new ATOM 0 HB3 GLN A 84 -36.092 8.955 5.867 1.00 0.17 H new ATOM 0 HG2 GLN A 84 -38.322 8.600 6.214 1.00 0.19 H new ATOM 0 HG3 GLN A 84 -38.580 10.191 6.901 1.00 0.19 H new ATOM 0 HE21 GLN A 84 -40.142 8.590 4.851 1.00 0.52 H new ATOM 0 HE22 GLN A 84 -40.448 9.817 3.618 1.00 0.52 H new ATOM 1316 N MET A 85 -33.686 9.719 7.379 1.00 0.16 N ATOM 1317 CA MET A 85 -32.237 9.923 7.268 1.00 0.17 C ATOM 1318 C MET A 85 -31.687 9.170 6.058 1.00 0.20 C ATOM 1319 O MET A 85 -31.510 7.957 6.109 1.00 0.22 O ATOM 1320 CB MET A 85 -31.508 9.598 8.578 1.00 0.21 C ATOM 1321 CG MET A 85 -30.025 9.964 8.456 1.00 0.21 C ATOM 1322 SD MET A 85 -29.134 10.036 10.032 1.00 0.23 S ATOM 1323 CE MET A 85 -27.551 10.644 9.412 1.00 0.19 C ATOM 0 H MET A 85 -33.968 8.739 7.375 1.00 0.16 H new ATOM 0 HA MET A 85 -32.046 10.982 7.095 1.00 0.17 H new ATOM 0 HB2 MET A 85 -31.961 10.149 9.402 1.00 0.21 H new ATOM 0 HB3 MET A 85 -31.612 8.538 8.808 1.00 0.21 H new ATOM 0 HG2 MET A 85 -29.536 9.235 7.810 1.00 0.21 H new ATOM 0 HG3 MET A 85 -29.943 10.932 7.962 1.00 0.21 H new ATOM 0 HE1 MET A 85 -26.896 10.875 10.252 1.00 0.19 H new ATOM 0 HE2 MET A 85 -27.087 9.880 8.789 1.00 0.19 H new ATOM 0 HE3 MET A 85 -27.714 11.545 8.821 1.00 0.19 H new ATOM 1333 N GLU A 86 -31.467 9.890 4.962 1.00 0.26 N ATOM 1334 CA GLU A 86 -31.009 9.317 3.692 1.00 0.31 C ATOM 1335 C GLU A 86 -29.481 9.317 3.572 1.00 0.31 C ATOM 1336 O GLU A 86 -28.832 10.301 3.226 1.00 0.34 O ATOM 1337 CB GLU A 86 -31.681 10.059 2.521 1.00 0.40 C ATOM 1338 CG GLU A 86 -33.099 9.530 2.249 1.00 0.41 C ATOM 1339 CD GLU A 86 -33.127 8.062 1.787 1.00 0.95 C ATOM 1340 OE1 GLU A 86 -32.041 7.518 1.481 1.00 1.35 O ATOM 1341 OE2 GLU A 86 -34.239 7.490 1.780 1.00 1.53 O ATOM 0 H GLU A 86 -31.602 10.900 4.926 1.00 0.26 H new ATOM 0 HA GLU A 86 -31.307 8.269 3.659 1.00 0.31 H new ATOM 0 HB2 GLU A 86 -31.727 11.125 2.745 1.00 0.40 H new ATOM 0 HB3 GLU A 86 -31.073 9.948 1.623 1.00 0.40 H new ATOM 0 HG2 GLU A 86 -33.696 9.629 3.156 1.00 0.41 H new ATOM 0 HG3 GLU A 86 -33.571 10.152 1.488 1.00 0.41 H new ATOM 1348 N GLY A 87 -28.872 8.258 4.081 1.00 0.36 N ATOM 1349 CA GLY A 87 -27.443 8.032 4.211 1.00 0.43 C ATOM 1350 C GLY A 87 -26.786 8.901 5.256 1.00 0.50 C ATOM 1351 O GLY A 87 -26.365 8.455 6.235 1.00 1.05 O ATOM 0 H GLY A 87 -29.409 7.470 4.443 1.00 0.36 H new ATOM 0 HA2 GLY A 87 -27.270 6.985 4.460 1.00 0.43 H new ATOM 0 HA3 GLY A 87 -26.966 8.213 3.248 1.00 0.43 H new ATOM 1355 N GLY A 88 -26.608 10.192 5.019 1.00 0.30 N ATOM 1356 CA GLY A 88 -26.028 11.141 5.982 1.00 0.25 C ATOM 1357 C GLY A 88 -26.940 12.341 6.153 1.00 0.24 C ATOM 1358 O GLY A 88 -26.523 13.387 6.771 1.00 0.36 O ATOM 0 H GLY A 88 -26.866 10.628 4.134 1.00 0.30 H new ATOM 0 HA2 GLY A 88 -25.879 10.649 6.943 1.00 0.25 H new ATOM 0 HA3 GLY A 88 -25.047 11.467 5.636 1.00 0.25 H new ATOM 1362 N LYS A 89 -28.072 12.307 5.415 1.00 0.19 N ATOM 1363 CA LYS A 89 -28.883 13.501 5.199 1.00 0.18 C ATOM 1364 C LYS A 89 -30.177 13.482 5.952 1.00 0.15 C ATOM 1365 O LYS A 89 -30.923 12.547 5.796 1.00 0.16 O ATOM 1366 CB LYS A 89 -29.264 13.569 3.653 1.00 0.22 C ATOM 1367 CG LYS A 89 -28.166 14.284 2.731 1.00 0.26 C ATOM 1368 CD LYS A 89 -28.586 14.279 1.274 1.00 0.60 C ATOM 1369 CE LYS A 89 -27.783 15.234 0.325 1.00 1.62 C ATOM 1370 NZ LYS A 89 -26.424 14.722 -0.003 1.00 2.70 N ATOM 0 H LYS A 89 -28.434 11.466 4.966 1.00 0.19 H new ATOM 0 HA LYS A 89 -28.293 14.350 5.543 1.00 0.18 H new ATOM 0 HB2 LYS A 89 -29.424 12.555 3.286 1.00 0.22 H new ATOM 0 HB3 LYS A 89 -30.210 14.100 3.548 1.00 0.22 H new ATOM 0 HG2 LYS A 89 -28.019 15.311 3.066 1.00 0.26 H new ATOM 0 HG3 LYS A 89 -27.209 13.773 2.838 1.00 0.26 H new ATOM 0 HD2 LYS A 89 -28.496 13.261 0.894 1.00 0.60 H new ATOM 0 HD3 LYS A 89 -29.641 14.548 1.219 1.00 0.60 H new ATOM 0 HE2 LYS A 89 -28.344 15.375 -0.599 1.00 1.62 H new ATOM 0 HE3 LYS A 89 -27.692 16.213 0.796 1.00 1.62 H new ATOM 0 HZ1 LYS A 89 -25.848 15.494 -0.396 1.00 2.70 H new ATOM 0 HZ2 LYS A 89 -25.973 14.358 0.860 1.00 2.70 H new ATOM 0 HZ3 LYS A 89 -26.501 13.956 -0.703 1.00 2.70 H new ATOM 1384 N LEU A 90 -30.438 14.445 6.828 1.00 0.16 N ATOM 1385 CA LEU A 90 -31.708 14.484 7.561 1.00 0.15 C ATOM 1386 C LEU A 90 -32.746 15.286 6.779 1.00 0.15 C ATOM 1387 O LEU A 90 -32.415 16.318 6.203 1.00 0.19 O ATOM 1388 CB LEU A 90 -31.465 15.012 8.973 1.00 0.18 C ATOM 1389 CG LEU A 90 -30.690 13.987 9.818 1.00 0.19 C ATOM 1390 CD1 LEU A 90 -29.862 14.706 10.873 1.00 0.23 C ATOM 1391 CD2 LEU A 90 -31.649 12.990 10.468 1.00 0.18 C ATOM 0 H LEU A 90 -29.796 15.206 7.050 1.00 0.16 H new ATOM 0 HA LEU A 90 -32.119 13.480 7.665 1.00 0.15 H new ATOM 0 HB2 LEU A 90 -30.906 15.946 8.925 1.00 0.18 H new ATOM 0 HB3 LEU A 90 -32.419 15.236 9.451 1.00 0.18 H new ATOM 0 HG LEU A 90 -30.017 13.430 9.166 1.00 0.19 H new ATOM 0 HD11 LEU A 90 -29.316 13.974 11.468 1.00 0.23 H new ATOM 0 HD12 LEU A 90 -29.155 15.378 10.385 1.00 0.23 H new ATOM 0 HD13 LEU A 90 -30.521 15.282 11.522 1.00 0.23 H new ATOM 0 HD21 LEU A 90 -31.081 12.273 11.061 1.00 0.18 H new ATOM 0 HD22 LEU A 90 -32.347 13.524 11.113 1.00 0.18 H new ATOM 0 HD23 LEU A 90 -32.204 12.461 9.693 1.00 0.18 H new ATOM 1403 N VAL A 91 -33.939 14.718 6.609 1.00 0.15 N ATOM 1404 CA VAL A 91 -34.844 15.065 5.500 1.00 0.16 C ATOM 1405 C VAL A 91 -36.311 15.008 5.919 1.00 0.16 C ATOM 1406 O VAL A 91 -36.715 14.149 6.688 1.00 0.17 O ATOM 1407 CB VAL A 91 -34.557 14.151 4.282 1.00 0.18 C ATOM 1408 CG1 VAL A 91 -34.551 12.662 4.600 1.00 0.23 C ATOM 1409 CG2 VAL A 91 -35.522 14.336 3.098 1.00 0.23 C ATOM 0 H VAL A 91 -34.311 14.003 7.234 1.00 0.15 H new ATOM 0 HA VAL A 91 -34.651 16.098 5.211 1.00 0.16 H new ATOM 0 HB VAL A 91 -33.557 14.482 4.003 1.00 0.18 H new ATOM 0 HG11 VAL A 91 -34.342 12.097 3.692 1.00 0.23 H new ATOM 0 HG12 VAL A 91 -33.782 12.452 5.343 1.00 0.23 H new ATOM 0 HG13 VAL A 91 -35.525 12.370 4.993 1.00 0.23 H new ATOM 0 HG21 VAL A 91 -35.244 13.656 2.293 1.00 0.23 H new ATOM 0 HG22 VAL A 91 -36.540 14.119 3.421 1.00 0.23 H new ATOM 0 HG23 VAL A 91 -35.466 15.364 2.740 1.00 0.23 H new ATOM 1419 N VAL A 92 -37.137 15.868 5.321 1.00 0.16 N ATOM 1420 CA VAL A 92 -38.602 15.913 5.495 1.00 0.17 C ATOM 1421 C VAL A 92 -39.247 16.279 4.162 1.00 0.17 C ATOM 1422 O VAL A 92 -38.609 16.870 3.292 1.00 0.18 O ATOM 1423 CB VAL A 92 -39.035 16.978 6.522 1.00 0.18 C ATOM 1424 CG1 VAL A 92 -38.917 16.425 7.933 1.00 0.56 C ATOM 1425 CG2 VAL A 92 -38.281 18.306 6.386 1.00 0.65 C ATOM 0 H VAL A 92 -36.798 16.582 4.676 1.00 0.16 H new ATOM 0 HA VAL A 92 -38.917 14.932 5.850 1.00 0.17 H new ATOM 0 HB VAL A 92 -40.079 17.209 6.309 1.00 0.18 H new ATOM 0 HG11 VAL A 92 -39.226 17.187 8.649 1.00 0.56 H new ATOM 0 HG12 VAL A 92 -39.558 15.549 8.035 1.00 0.56 H new ATOM 0 HG13 VAL A 92 -37.883 16.142 8.128 1.00 0.56 H new ATOM 0 HG21 VAL A 92 -38.638 19.006 7.141 1.00 0.65 H new ATOM 0 HG22 VAL A 92 -37.214 18.135 6.526 1.00 0.65 H new ATOM 0 HG23 VAL A 92 -38.454 18.723 5.394 1.00 0.65 H new ATOM 1435 N ASN A 93 -40.558 16.053 4.079 1.00 0.20 N ATOM 1436 CA ASN A 93 -41.444 16.480 2.999 1.00 0.21 C ATOM 1437 C ASN A 93 -42.816 16.833 3.608 1.00 0.22 C ATOM 1438 O ASN A 93 -43.332 16.061 4.417 1.00 0.34 O ATOM 1439 CB ASN A 93 -41.578 15.333 1.974 1.00 0.30 C ATOM 1440 CG ASN A 93 -40.252 14.719 1.553 1.00 1.07 C ATOM 1441 OD1 ASN A 93 -39.444 15.332 0.874 1.00 1.89 O ATOM 1442 ND2 ASN A 93 -39.968 13.503 1.965 1.00 1.06 N ATOM 0 H ASN A 93 -41.057 15.538 4.805 1.00 0.20 H new ATOM 0 HA ASN A 93 -41.042 17.355 2.488 1.00 0.21 H new ATOM 0 HB2 ASN A 93 -42.209 14.552 2.399 1.00 0.30 H new ATOM 0 HB3 ASN A 93 -42.089 15.710 1.088 1.00 0.30 H new ATOM 0 HD21 ASN A 93 -39.076 13.076 1.717 1.00 1.06 H new ATOM 0 HD22 ASN A 93 -40.640 12.987 2.533 1.00 1.06 H new ATOM 1449 N PHE A 94 -43.418 17.937 3.190 1.00 0.17 N ATOM 1450 CA PHE A 94 -44.818 18.363 3.337 1.00 0.19 C ATOM 1451 C PHE A 94 -45.400 18.755 1.970 1.00 0.22 C ATOM 1452 O PHE A 94 -44.597 18.866 1.042 1.00 0.26 O ATOM 1453 CB PHE A 94 -44.932 19.519 4.345 1.00 0.20 C ATOM 1454 CG PHE A 94 -44.899 19.183 5.820 1.00 0.19 C ATOM 1455 CD1 PHE A 94 -46.028 18.629 6.455 1.00 0.21 C ATOM 1456 CD2 PHE A 94 -43.797 19.584 6.592 1.00 0.17 C ATOM 1457 CE1 PHE A 94 -46.048 18.493 7.855 1.00 0.21 C ATOM 1458 CE2 PHE A 94 -43.828 19.479 7.991 1.00 0.17 C ATOM 1459 CZ PHE A 94 -44.954 18.934 8.623 1.00 0.20 C ATOM 0 H PHE A 94 -42.883 18.641 2.681 1.00 0.17 H new ATOM 0 HA PHE A 94 -45.400 17.527 3.726 1.00 0.19 H new ATOM 0 HB2 PHE A 94 -44.120 20.218 4.144 1.00 0.20 H new ATOM 0 HB3 PHE A 94 -45.864 20.046 4.144 1.00 0.20 H new ATOM 0 HD1 PHE A 94 -46.876 18.309 5.868 1.00 0.21 H new ATOM 0 HD2 PHE A 94 -42.917 19.977 6.105 1.00 0.17 H new ATOM 0 HE1 PHE A 94 -46.904 18.049 8.341 1.00 0.21 H new ATOM 0 HE2 PHE A 94 -42.987 19.817 8.579 1.00 0.17 H new ATOM 0 HZ PHE A 94 -44.982 18.852 9.700 1.00 0.20 H new ATOM 1469 N PRO A 95 -46.680 19.167 1.819 1.00 0.25 N ATOM 1470 CA PRO A 95 -47.151 19.565 0.475 1.00 0.29 C ATOM 1471 C PRO A 95 -46.400 20.722 -0.236 1.00 0.30 C ATOM 1472 O PRO A 95 -46.450 20.813 -1.460 1.00 0.46 O ATOM 1473 CB PRO A 95 -48.632 19.904 0.658 1.00 0.38 C ATOM 1474 CG PRO A 95 -49.051 18.969 1.792 1.00 0.44 C ATOM 1475 CD PRO A 95 -47.824 19.011 2.706 1.00 0.32 C ATOM 0 HA PRO A 95 -46.954 18.735 -0.203 1.00 0.29 H new ATOM 0 HB2 PRO A 95 -48.778 20.952 0.921 1.00 0.38 H new ATOM 0 HB3 PRO A 95 -49.205 19.721 -0.251 1.00 0.38 H new ATOM 0 HG2 PRO A 95 -49.950 19.319 2.299 1.00 0.44 H new ATOM 0 HG3 PRO A 95 -49.259 17.961 1.434 1.00 0.44 H new ATOM 0 HD2 PRO A 95 -47.889 19.839 3.411 1.00 0.32 H new ATOM 0 HD3 PRO A 95 -47.742 18.097 3.294 1.00 0.32 H new ATOM 1483 N ASN A 96 -45.699 21.550 0.537 1.00 0.33 N ATOM 1484 CA ASN A 96 -44.927 22.673 0.042 1.00 0.45 C ATOM 1485 C ASN A 96 -43.527 22.795 0.671 1.00 0.50 C ATOM 1486 O ASN A 96 -42.870 23.790 0.379 1.00 0.90 O ATOM 1487 CB ASN A 96 -45.749 23.960 0.267 1.00 0.63 C ATOM 1488 CG ASN A 96 -45.900 24.326 1.740 1.00 0.86 C ATOM 1489 OD1 ASN A 96 -45.936 23.484 2.621 1.00 1.89 O ATOM 1490 ND2 ASN A 96 -46.083 25.586 2.051 1.00 0.77 N ATOM 0 H ASN A 96 -45.656 21.450 1.551 1.00 0.33 H new ATOM 0 HA ASN A 96 -44.742 22.509 -1.020 1.00 0.45 H new ATOM 0 HB2 ASN A 96 -45.270 24.786 -0.259 1.00 0.63 H new ATOM 0 HB3 ASN A 96 -46.738 23.833 -0.173 1.00 0.63 H new ATOM 0 HD21 ASN A 96 -46.253 25.852 3.021 1.00 0.77 H new ATOM 0 HD22 ASN A 96 -46.055 26.300 1.323 1.00 0.77 H new ATOM 1497 N TYR A 97 -43.085 21.906 1.571 1.00 0.26 N ATOM 1498 CA TYR A 97 -41.949 22.214 2.438 1.00 0.23 C ATOM 1499 C TYR A 97 -41.048 20.995 2.467 1.00 0.20 C ATOM 1500 O TYR A 97 -41.596 19.915 2.715 1.00 0.22 O ATOM 1501 CB TYR A 97 -42.332 22.712 3.825 1.00 0.00 C ATOM 1502 CG TYR A 97 -41.064 22.925 4.618 1.00 0.00 C ATOM 1503 CD1 TYR A 97 -40.294 24.077 4.411 1.00 0.00 C ATOM 1504 CD2 TYR A 97 -40.659 21.972 5.561 1.00 0.00 C ATOM 1505 CE1 TYR A 97 -39.120 24.275 5.145 1.00 0.00 C ATOM 1506 CE2 TYR A 97 -39.483 22.170 6.296 1.00 0.00 C ATOM 1507 CZ TYR A 97 -38.714 23.321 6.088 1.00 0.00 C ATOM 1508 OH TYR A 97 -37.573 23.515 6.802 1.00 0.00 O ATOM 0 H TYR A 97 -43.492 20.982 1.714 1.00 0.26 H new ATOM 0 HA TYR A 97 -41.411 23.065 2.021 1.00 0.23 H new ATOM 0 HB2 TYR A 97 -42.896 23.642 3.752 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -42.975 21.988 4.325 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -40.607 24.812 3.685 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -41.253 21.085 5.722 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -38.526 25.163 4.985 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -39.170 21.435 7.023 1.00 0.00 H new ATOM 0 HH TYR A 97 -37.290 24.450 6.719 1.00 0.00 H new ATOM 1518 N HIS A 98 -39.714 21.095 2.328 1.00 0.18 N ATOM 1519 CA HIS A 98 -38.738 19.981 2.306 1.00 0.18 C ATOM 1520 C HIS A 98 -37.326 20.453 2.728 1.00 0.19 C ATOM 1521 O HIS A 98 -37.033 21.621 2.502 1.00 0.18 O ATOM 1522 CB HIS A 98 -38.732 19.402 0.872 1.00 0.21 C ATOM 1523 CG HIS A 98 -37.538 18.551 0.503 1.00 0.25 C ATOM 1524 ND1 HIS A 98 -37.418 17.191 0.714 1.00 0.31 N ATOM 1525 CD2 HIS A 98 -36.377 18.983 -0.082 1.00 0.27 C ATOM 1526 CE1 HIS A 98 -36.209 16.797 0.271 1.00 0.36 C ATOM 1527 NE2 HIS A 98 -35.558 17.875 -0.222 1.00 0.34 N ATOM 0 H HIS A 98 -39.259 22.002 2.222 1.00 0.18 H new ATOM 0 HA HIS A 98 -39.027 19.214 3.025 1.00 0.18 H new ATOM 0 HB2 HIS A 98 -39.634 18.804 0.740 1.00 0.21 H new ATOM 0 HB3 HIS A 98 -38.793 20.231 0.167 1.00 0.21 H new ATOM 0 HD1 HIS A 98 -38.125 16.588 1.134 1.00 0.31 H new ATOM 0 HD2 HIS A 98 -36.145 19.995 -0.378 1.00 0.27 H new ATOM 0 HE1 HIS A 98 -35.824 15.789 0.304 1.00 0.36 H new ATOM 1535 N GLN A 99 -36.443 19.566 3.185 1.00 0.22 N ATOM 1536 CA GLN A 99 -34.997 19.826 3.142 1.00 0.29 C ATOM 1537 C GLN A 99 -34.192 18.541 3.220 1.00 0.20 C ATOM 1538 O GLN A 99 -34.773 17.467 3.320 1.00 0.26 O ATOM 1539 CB GLN A 99 -34.573 20.801 4.245 1.00 0.55 C ATOM 1540 CG GLN A 99 -34.393 20.287 5.675 1.00 0.55 C ATOM 1541 CD GLN A 99 -33.995 21.477 6.546 1.00 0.64 C ATOM 1542 OE1 GLN A 99 -34.475 22.586 6.342 1.00 1.48 O ATOM 1543 NE2 GLN A 99 -33.134 21.298 7.516 1.00 0.42 N ATOM 0 H GLN A 99 -36.698 18.664 3.588 1.00 0.22 H new ATOM 0 HA GLN A 99 -34.784 20.291 2.179 1.00 0.29 H new ATOM 0 HB2 GLN A 99 -33.629 21.251 3.938 1.00 0.55 H new ATOM 0 HB3 GLN A 99 -35.312 21.601 4.276 1.00 0.55 H new ATOM 0 HG2 GLN A 99 -35.317 19.837 6.040 1.00 0.55 H new ATOM 0 HG3 GLN A 99 -33.626 19.513 5.710 1.00 0.55 H new ATOM 0 HE21 GLN A 99 -32.737 20.373 7.682 1.00 0.42 H new ATOM 0 HE22 GLN A 99 -32.860 22.084 8.106 1.00 0.42 H new ATOM 1552 N THR A 100 -32.881 18.653 3.134 1.00 0.22 N ATOM 1553 CA THR A 100 -31.900 17.571 3.263 1.00 0.21 C ATOM 1554 C THR A 100 -30.686 18.269 3.867 1.00 0.24 C ATOM 1555 O THR A 100 -30.226 19.257 3.302 1.00 0.40 O ATOM 1556 CB THR A 100 -31.477 17.008 1.885 1.00 0.22 C ATOM 1557 OG1 THR A 100 -31.643 17.899 0.808 1.00 0.26 O ATOM 1558 CG2 THR A 100 -32.313 15.790 1.510 1.00 0.21 C ATOM 0 H THR A 100 -32.436 19.554 2.962 1.00 0.22 H new ATOM 0 HA THR A 100 -32.300 16.740 3.845 1.00 0.21 H new ATOM 0 HB THR A 100 -30.419 16.785 2.021 1.00 0.22 H new ATOM 0 HG1 THR A 100 -31.352 17.467 -0.022 1.00 0.26 H new ATOM 0 HG21 THR A 100 -31.994 15.415 0.537 1.00 0.21 H new ATOM 0 HG22 THR A 100 -32.179 15.011 2.261 1.00 0.21 H new ATOM 0 HG23 THR A 100 -33.365 16.071 1.463 1.00 0.21 H new ATOM 1566 N SER A 101 -30.103 17.739 4.946 1.00 0.21 N ATOM 1567 CA SER A 101 -29.192 18.473 5.736 1.00 0.27 C ATOM 1568 C SER A 101 -28.003 17.624 6.111 1.00 0.27 C ATOM 1569 O SER A 101 -28.215 16.504 6.611 1.00 0.46 O ATOM 1570 CB SER A 101 -29.788 19.004 7.069 1.00 0.42 C ATOM 1571 OG SER A 101 -31.023 19.622 6.782 1.00 1.24 O ATOM 0 H SER A 101 -30.269 16.787 5.272 1.00 0.21 H new ATOM 0 HA SER A 101 -28.916 19.322 5.110 1.00 0.27 H new ATOM 0 HB2 SER A 101 -29.927 18.186 7.776 1.00 0.42 H new ATOM 0 HB3 SER A 101 -29.106 19.715 7.534 1.00 0.42 H new ATOM 0 HG SER A 101 -30.884 20.583 6.646 1.00 1.24 H new ATOM 1577 N GLU A 102 -26.723 17.987 5.896 1.00 0.22 N ATOM 1578 CA GLU A 102 -25.577 17.035 6.059 1.00 0.27 C ATOM 1579 C GLU A 102 -24.245 17.635 6.574 1.00 0.20 C ATOM 1580 O GLU A 102 -23.926 18.789 6.265 1.00 0.20 O ATOM 1581 CB GLU A 102 -25.351 16.200 4.781 1.00 0.43 C ATOM 1582 CG GLU A 102 -24.943 16.996 3.523 1.00 0.81 C ATOM 1583 CD GLU A 102 -24.822 16.132 2.249 1.00 1.25 C ATOM 1584 OE1 GLU A 102 -25.002 14.894 2.318 1.00 1.67 O ATOM 1585 OE2 GLU A 102 -24.863 16.691 1.129 1.00 1.55 O ATOM 0 H GLU A 102 -26.445 18.926 5.610 1.00 0.22 H new ATOM 0 HA GLU A 102 -25.902 16.387 6.873 1.00 0.27 H new ATOM 0 HB2 GLU A 102 -24.578 15.459 4.986 1.00 0.43 H new ATOM 0 HB3 GLU A 102 -26.267 15.653 4.560 1.00 0.43 H new ATOM 0 HG2 GLU A 102 -25.677 17.783 3.349 1.00 0.81 H new ATOM 0 HG3 GLU A 102 -23.988 17.487 3.709 1.00 0.81 H new ATOM 1592 N ILE A 103 -23.384 16.854 7.233 1.00 0.19 N ATOM 1593 CA ILE A 103 -21.994 17.257 7.544 1.00 0.21 C ATOM 1594 C ILE A 103 -21.113 17.148 6.285 1.00 0.26 C ATOM 1595 O ILE A 103 -21.094 16.080 5.677 1.00 0.28 O ATOM 1596 CB ILE A 103 -21.436 16.369 8.689 1.00 0.23 C ATOM 1597 CG1 ILE A 103 -22.174 16.579 10.026 1.00 0.22 C ATOM 1598 CG2 ILE A 103 -19.922 16.532 8.901 1.00 0.27 C ATOM 1599 CD1 ILE A 103 -21.980 17.958 10.674 1.00 0.21 C ATOM 0 H ILE A 103 -23.624 15.922 7.570 1.00 0.19 H new ATOM 0 HA ILE A 103 -21.985 18.296 7.873 1.00 0.21 H new ATOM 0 HB ILE A 103 -21.620 15.348 8.353 1.00 0.23 H new ATOM 0 HG12 ILE A 103 -23.240 16.419 9.863 1.00 0.22 H new ATOM 0 HG13 ILE A 103 -21.842 15.815 10.729 1.00 0.22 H new ATOM 0 HG21 ILE A 103 -19.597 15.884 9.715 1.00 0.27 H new ATOM 0 HG22 ILE A 103 -19.395 16.258 7.987 1.00 0.27 H new ATOM 0 HG23 ILE A 103 -19.699 17.569 9.152 1.00 0.27 H new ATOM 0 HD11 ILE A 103 -22.540 18.003 11.608 1.00 0.21 H new ATOM 0 HD12 ILE A 103 -20.921 18.119 10.877 1.00 0.21 H new ATOM 0 HD13 ILE A 103 -22.341 18.732 9.997 1.00 0.21 H new ATOM 1611 N VAL A 104 -20.162 18.082 6.079 1.00 0.32 N ATOM 1612 CA VAL A 104 -19.008 17.852 5.246 1.00 0.41 C ATOM 1613 C VAL A 104 -17.772 18.166 6.046 1.00 0.48 C ATOM 1614 O VAL A 104 -17.308 19.367 6.191 1.00 0.47 O ATOM 1615 CB VAL A 104 -19.049 18.651 3.967 1.00 0.47 C ATOM 1616 CG1 VAL A 104 -17.903 18.173 3.082 1.00 0.60 C ATOM 1617 CG2 VAL A 104 -20.409 18.512 3.282 1.00 0.45 C ATOM 0 H VAL A 104 -20.191 19.013 6.495 1.00 0.32 H new ATOM 0 HA VAL A 104 -19.000 16.805 4.941 1.00 0.41 H new ATOM 0 HB VAL A 104 -18.923 19.714 4.173 1.00 0.47 H new ATOM 0 HG11 VAL A 104 -17.907 18.734 2.147 1.00 0.60 H new ATOM 0 HG12 VAL A 104 -16.955 18.332 3.597 1.00 0.60 H new ATOM 0 HG13 VAL A 104 -18.027 17.111 2.869 1.00 0.60 H new ATOM 0 HG21 VAL A 104 -20.415 19.097 2.362 1.00 0.45 H new ATOM 0 HG22 VAL A 104 -20.592 17.464 3.047 1.00 0.45 H new ATOM 0 HG23 VAL A 104 -21.191 18.876 3.948 1.00 0.45 H new ATOM 1627 N GLY A 105 -17.129 17.111 6.554 1.00 0.56 N ATOM 1628 CA GLY A 105 -16.023 17.182 7.535 1.00 0.63 C ATOM 1629 C GLY A 105 -16.329 17.916 8.776 1.00 0.59 C ATOM 1630 O GLY A 105 -16.960 17.266 9.588 1.00 0.68 O ATOM 0 H GLY A 105 -17.364 16.154 6.292 1.00 0.56 H new ATOM 0 HA2 GLY A 105 -15.726 16.167 7.797 1.00 0.63 H new ATOM 0 HA3 GLY A 105 -15.164 17.652 7.056 1.00 0.63 H new ATOM 1634 N ASP A 106 -15.696 19.071 8.995 1.00 0.52 N ATOM 1635 CA ASP A 106 -16.004 19.936 10.111 1.00 0.50 C ATOM 1636 C ASP A 106 -17.116 21.017 9.752 1.00 0.40 C ATOM 1637 O ASP A 106 -17.519 21.894 10.560 1.00 0.44 O ATOM 1638 CB ASP A 106 -14.747 20.664 10.733 1.00 0.58 C ATOM 1639 CG ASP A 106 -13.698 19.745 11.324 1.00 1.53 C ATOM 1640 OD1 ASP A 106 -12.920 19.166 10.478 1.00 2.30 O ATOM 1641 OD2 ASP A 106 -13.600 19.613 12.568 1.00 2.11 O ATOM 0 H ASP A 106 -14.952 19.425 8.393 1.00 0.52 H new ATOM 0 HA ASP A 106 -16.393 19.257 10.869 1.00 0.50 H new ATOM 0 HB2 ASP A 106 -14.280 21.273 9.959 1.00 0.58 H new ATOM 0 HB3 ASP A 106 -15.090 21.346 11.511 1.00 0.58 H new ATOM 1646 N LYS A 107 -17.581 21.042 8.524 1.00 0.32 N ATOM 1647 CA LYS A 107 -18.590 21.983 8.080 1.00 0.25 C ATOM 1648 C LYS A 107 -19.826 21.264 7.846 1.00 0.23 C ATOM 1649 O LYS A 107 -19.988 20.078 7.955 1.00 0.30 O ATOM 1650 CB LYS A 107 -18.246 22.714 6.777 1.00 0.28 C ATOM 1651 CG LYS A 107 -17.028 23.639 6.941 1.00 0.47 C ATOM 1652 CD LYS A 107 -16.769 24.470 5.688 1.00 1.21 C ATOM 1653 CE LYS A 107 -15.423 25.066 5.623 1.00 1.65 C ATOM 1654 NZ LYS A 107 -14.404 24.072 5.148 1.00 2.27 N ATOM 0 H LYS A 107 -17.267 20.402 7.794 1.00 0.32 H new ATOM 0 HA LYS A 107 -18.666 22.731 8.869 1.00 0.25 H new ATOM 0 HB2 LYS A 107 -18.044 21.983 5.994 1.00 0.28 H new ATOM 0 HB3 LYS A 107 -19.106 23.300 6.452 1.00 0.28 H new ATOM 0 HG2 LYS A 107 -17.189 24.303 7.790 1.00 0.47 H new ATOM 0 HG3 LYS A 107 -16.146 23.040 7.168 1.00 0.47 H new ATOM 0 HD2 LYS A 107 -16.917 23.840 4.811 1.00 1.21 H new ATOM 0 HD3 LYS A 107 -17.510 25.268 5.636 1.00 1.21 H new ATOM 0 HE2 LYS A 107 -15.436 25.924 4.951 1.00 1.65 H new ATOM 0 HE3 LYS A 107 -15.140 25.436 6.608 1.00 1.65 H new ATOM 0 HZ1 LYS A 107 -13.468 24.524 5.114 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 -14.375 23.265 5.803 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 -14.662 23.738 4.198 1.00 2.27 H new ATOM 1668 N LEU A 108 -20.849 22.061 7.623 1.00 0.20 N ATOM 1669 CA LEU A 108 -22.193 21.652 7.891 1.00 0.19 C ATOM 1670 C LEU A 108 -23.124 22.394 6.949 1.00 0.20 C ATOM 1671 O LEU A 108 -23.154 23.621 6.973 1.00 0.24 O ATOM 1672 CB LEU A 108 -22.373 21.948 9.380 1.00 0.22 C ATOM 1673 CG LEU A 108 -23.819 22.070 9.794 1.00 0.29 C ATOM 1674 CD1 LEU A 108 -24.596 20.822 9.409 1.00 0.57 C ATOM 1675 CD2 LEU A 108 -23.801 22.297 11.300 1.00 0.60 C ATOM 0 H LEU A 108 -20.763 23.007 7.251 1.00 0.20 H new ATOM 0 HA LEU A 108 -22.420 20.601 7.711 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -21.902 21.155 9.961 1.00 0.22 H new ATOM 0 HB3 LEU A 108 -21.853 22.874 9.625 1.00 0.22 H new ATOM 0 HG LEU A 108 -24.322 22.895 9.289 1.00 0.29 H new ATOM 0 HD11 LEU A 108 -25.636 20.931 9.717 1.00 0.57 H new ATOM 0 HD12 LEU A 108 -24.550 20.683 8.329 1.00 0.57 H new ATOM 0 HD13 LEU A 108 -24.160 19.955 9.905 1.00 0.57 H new ATOM 0 HD21 LEU A 108 -24.823 22.394 11.666 1.00 0.60 H new ATOM 0 HD22 LEU A 108 -23.319 21.451 11.790 1.00 0.60 H new ATOM 0 HD23 LEU A 108 -23.247 23.209 11.524 1.00 0.60 H new ATOM 1687 N VAL A 109 -23.667 21.648 5.995 1.00 0.20 N ATOM 1688 CA VAL A 109 -24.328 22.144 4.789 1.00 0.22 C ATOM 1689 C VAL A 109 -25.830 21.885 4.851 1.00 0.22 C ATOM 1690 O VAL A 109 -26.297 20.773 5.100 1.00 0.29 O ATOM 1691 CB VAL A 109 -23.715 21.543 3.509 1.00 0.26 C ATOM 1692 CG1 VAL A 109 -24.353 22.124 2.241 1.00 0.80 C ATOM 1693 CG2 VAL A 109 -22.200 21.806 3.442 1.00 0.87 C ATOM 0 H VAL A 109 -23.659 20.629 6.042 1.00 0.20 H new ATOM 0 HA VAL A 109 -24.167 23.221 4.747 1.00 0.22 H new ATOM 0 HB VAL A 109 -23.910 20.471 3.554 1.00 0.26 H new ATOM 0 HG11 VAL A 109 -23.892 21.673 1.362 1.00 0.80 H new ATOM 0 HG12 VAL A 109 -25.422 21.909 2.240 1.00 0.80 H new ATOM 0 HG13 VAL A 109 -24.200 23.203 2.218 1.00 0.80 H new ATOM 0 HG21 VAL A 109 -21.795 21.371 2.528 1.00 0.87 H new ATOM 0 HG22 VAL A 109 -22.017 22.880 3.444 1.00 0.87 H new ATOM 0 HG23 VAL A 109 -21.714 21.353 4.306 1.00 0.87 H new ATOM 1703 N GLU A 110 -26.569 22.988 4.748 1.00 0.22 N ATOM 1704 CA GLU A 110 -28.027 23.042 4.716 1.00 0.25 C ATOM 1705 C GLU A 110 -28.523 23.235 3.292 1.00 0.28 C ATOM 1706 O GLU A 110 -28.021 24.121 2.595 1.00 0.52 O ATOM 1707 CB GLU A 110 -28.513 24.236 5.554 1.00 0.38 C ATOM 1708 CG GLU A 110 -30.035 24.356 5.794 1.00 0.52 C ATOM 1709 CD GLU A 110 -30.684 23.122 6.450 1.00 1.43 C ATOM 1710 OE1 GLU A 110 -30.581 22.008 5.894 1.00 2.07 O ATOM 1711 OE2 GLU A 110 -31.154 23.238 7.604 1.00 2.06 O ATOM 0 H GLU A 110 -26.145 23.913 4.681 1.00 0.22 H new ATOM 0 HA GLU A 110 -28.413 22.104 5.116 1.00 0.25 H new ATOM 0 HB2 GLU A 110 -28.020 24.190 6.525 1.00 0.38 H new ATOM 0 HB3 GLU A 110 -28.174 25.151 5.067 1.00 0.38 H new ATOM 0 HG2 GLU A 110 -30.222 25.226 6.424 1.00 0.52 H new ATOM 0 HG3 GLU A 110 -30.526 24.543 4.839 1.00 0.52 H new ATOM 1718 N VAL A 111 -29.635 22.587 2.949 1.00 0.23 N ATOM 1719 CA VAL A 111 -30.381 22.861 1.708 1.00 0.21 C ATOM 1720 C VAL A 111 -31.866 22.495 1.822 1.00 0.20 C ATOM 1721 O VAL A 111 -32.267 21.331 1.903 1.00 0.24 O ATOM 1722 CB VAL A 111 -29.673 22.287 0.460 1.00 0.24 C ATOM 1723 CG1 VAL A 111 -29.581 20.762 0.397 1.00 0.27 C ATOM 1724 CG2 VAL A 111 -30.346 22.785 -0.824 1.00 0.25 C ATOM 0 H VAL A 111 -30.051 21.853 3.522 1.00 0.23 H new ATOM 0 HA VAL A 111 -30.376 23.941 1.560 1.00 0.21 H new ATOM 0 HB VAL A 111 -28.651 22.655 0.547 1.00 0.24 H new ATOM 0 HG11 VAL A 111 -29.067 20.466 -0.517 1.00 0.27 H new ATOM 0 HG12 VAL A 111 -29.026 20.395 1.260 1.00 0.27 H new ATOM 0 HG13 VAL A 111 -30.584 20.336 0.403 1.00 0.27 H new ATOM 0 HG21 VAL A 111 -29.831 22.368 -1.690 1.00 0.25 H new ATOM 0 HG22 VAL A 111 -31.389 22.468 -0.835 1.00 0.25 H new ATOM 0 HG23 VAL A 111 -30.297 23.873 -0.862 1.00 0.25 H new ATOM 1734 N SER A 112 -32.717 23.517 1.759 1.00 0.19 N ATOM 1735 CA SER A 112 -34.145 23.449 2.078 1.00 0.20 C ATOM 1736 C SER A 112 -34.977 24.000 0.915 1.00 0.17 C ATOM 1737 O SER A 112 -34.472 24.706 0.055 1.00 0.17 O ATOM 1738 CB SER A 112 -34.453 24.188 3.393 1.00 0.27 C ATOM 1739 OG SER A 112 -33.449 24.012 4.373 1.00 0.87 O ATOM 0 H SER A 112 -32.422 24.451 1.474 1.00 0.19 H new ATOM 0 HA SER A 112 -34.419 22.404 2.223 1.00 0.20 H new ATOM 0 HB2 SER A 112 -34.569 25.252 3.187 1.00 0.27 H new ATOM 0 HB3 SER A 112 -35.405 23.834 3.788 1.00 0.27 H new ATOM 0 HG SER A 112 -33.836 23.583 5.165 1.00 0.87 H new ATOM 1745 N THR A 113 -36.271 23.705 0.882 1.00 0.17 N ATOM 1746 CA THR A 113 -37.132 23.978 -0.264 1.00 0.15 C ATOM 1747 C THR A 113 -38.500 24.314 0.249 1.00 0.13 C ATOM 1748 O THR A 113 -39.105 23.517 0.985 1.00 0.14 O ATOM 1749 CB THR A 113 -37.335 22.852 -1.296 1.00 0.19 C ATOM 1750 OG1 THR A 113 -36.072 22.322 -1.680 1.00 0.26 O ATOM 1751 CG2 THR A 113 -37.898 23.429 -2.516 1.00 0.17 C ATOM 0 H THR A 113 -36.759 23.263 1.661 1.00 0.17 H new ATOM 0 HA THR A 113 -36.609 24.776 -0.791 1.00 0.15 H new ATOM 0 HB THR A 113 -37.978 22.090 -0.856 1.00 0.19 H new ATOM 0 HG1 THR A 113 -36.204 21.605 -2.335 1.00 0.26 H new ATOM 0 HG21 THR A 113 -38.047 22.642 -3.256 1.00 0.17 H new ATOM 0 HG22 THR A 113 -38.855 23.899 -2.288 1.00 0.17 H new ATOM 0 HG23 THR A 113 -37.212 24.177 -2.915 1.00 0.17 H new ATOM 1759 N ILE A 114 -38.998 25.531 -0.002 1.00 0.12 N ATOM 1760 CA ILE A 114 -40.338 25.979 0.410 1.00 0.12 C ATOM 1761 C ILE A 114 -41.027 26.563 -0.817 1.00 0.14 C ATOM 1762 O ILE A 114 -40.543 27.473 -1.475 1.00 0.15 O ATOM 1763 CB ILE A 114 -40.317 26.955 1.615 1.00 0.14 C ATOM 1764 CG1 ILE A 114 -41.686 27.080 2.340 1.00 0.17 C ATOM 1765 CG2 ILE A 114 -39.810 28.363 1.268 1.00 0.16 C ATOM 1766 CD1 ILE A 114 -42.927 27.458 1.518 1.00 0.27 C ATOM 0 H ILE A 114 -38.473 26.246 -0.506 1.00 0.12 H new ATOM 0 HA ILE A 114 -40.906 25.126 0.781 1.00 0.12 H new ATOM 0 HB ILE A 114 -39.603 26.490 2.294 1.00 0.14 H new ATOM 0 HG12 ILE A 114 -41.890 26.126 2.826 1.00 0.17 H new ATOM 0 HG13 ILE A 114 -41.575 27.823 3.130 1.00 0.17 H new ATOM 0 HG21 ILE A 114 -39.825 28.986 2.162 1.00 0.16 H new ATOM 0 HG22 ILE A 114 -38.791 28.299 0.888 1.00 0.16 H new ATOM 0 HG23 ILE A 114 -40.454 28.804 0.507 1.00 0.16 H new ATOM 0 HD11 ILE A 114 -43.797 27.503 2.173 1.00 0.27 H new ATOM 0 HD12 ILE A 114 -42.773 28.431 1.053 1.00 0.27 H new ATOM 0 HD13 ILE A 114 -43.093 26.708 0.744 1.00 0.27 H new ATOM 1778 N GLY A 115 -42.082 25.900 -1.258 1.00 0.16 N ATOM 1779 CA GLY A 115 -43.028 26.352 -2.264 1.00 0.19 C ATOM 1780 C GLY A 115 -42.396 26.469 -3.639 1.00 0.21 C ATOM 1781 O GLY A 115 -42.915 27.095 -4.572 1.00 0.29 O ATOM 0 H GLY A 115 -42.316 24.974 -0.901 1.00 0.16 H new ATOM 0 HA2 GLY A 115 -43.866 25.656 -2.310 1.00 0.19 H new ATOM 0 HA3 GLY A 115 -43.433 27.320 -1.969 1.00 0.19 H new ATOM 1785 N GLY A 116 -41.354 25.660 -3.844 1.00 0.17 N ATOM 1786 CA GLY A 116 -40.533 25.634 -5.047 1.00 0.19 C ATOM 1787 C GLY A 116 -39.299 26.532 -4.954 1.00 0.18 C ATOM 1788 O GLY A 116 -38.429 26.407 -5.810 1.00 0.21 O ATOM 0 H GLY A 116 -41.051 24.980 -3.147 1.00 0.17 H new ATOM 0 HA2 GLY A 116 -40.215 24.609 -5.240 1.00 0.19 H new ATOM 0 HA3 GLY A 116 -41.138 25.946 -5.899 1.00 0.19 H new ATOM 1792 N VAL A 117 -39.129 27.408 -3.947 1.00 0.15 N ATOM 1793 CA VAL A 117 -37.903 28.222 -3.763 1.00 0.15 C ATOM 1794 C VAL A 117 -36.909 27.640 -2.751 1.00 0.14 C ATOM 1795 O VAL A 117 -37.302 27.168 -1.683 1.00 0.17 O ATOM 1796 CB VAL A 117 -38.203 29.727 -3.582 1.00 0.14 C ATOM 1797 CG1 VAL A 117 -38.657 30.139 -2.175 1.00 0.14 C ATOM 1798 CG2 VAL A 117 -36.981 30.571 -3.973 1.00 0.16 C ATOM 0 H VAL A 117 -39.838 27.575 -3.233 1.00 0.15 H new ATOM 0 HA VAL A 117 -37.364 28.156 -4.708 1.00 0.15 H new ATOM 0 HB VAL A 117 -39.047 29.917 -4.245 1.00 0.14 H new ATOM 0 HG11 VAL A 117 -38.842 31.213 -2.152 1.00 0.14 H new ATOM 0 HG12 VAL A 117 -39.573 29.608 -1.918 1.00 0.14 H new ATOM 0 HG13 VAL A 117 -37.879 29.890 -1.454 1.00 0.14 H new ATOM 0 HG21 VAL A 117 -37.211 31.628 -3.839 1.00 0.16 H new ATOM 0 HG22 VAL A 117 -36.135 30.301 -3.341 1.00 0.16 H new ATOM 0 HG23 VAL A 117 -36.729 30.384 -5.017 1.00 0.16 H new ATOM 1808 N THR A 118 -35.621 27.623 -3.107 1.00 0.13 N ATOM 1809 CA THR A 118 -34.574 26.949 -2.335 1.00 0.14 C ATOM 1810 C THR A 118 -33.697 27.802 -1.366 1.00 0.18 C ATOM 1811 O THR A 118 -33.276 28.893 -1.668 1.00 0.26 O ATOM 1812 CB THR A 118 -33.614 26.334 -3.397 1.00 0.20 C ATOM 1813 OG1 THR A 118 -34.188 25.220 -4.070 1.00 0.26 O ATOM 1814 CG2 THR A 118 -32.345 25.705 -2.759 1.00 0.27 C ATOM 0 H THR A 118 -35.273 28.082 -3.949 1.00 0.13 H new ATOM 0 HA THR A 118 -35.097 26.259 -1.672 1.00 0.14 H new ATOM 0 HB THR A 118 -33.399 27.176 -4.054 1.00 0.20 H new ATOM 0 HG1 THR A 118 -33.550 24.870 -4.726 1.00 0.26 H new ATOM 0 HG21 THR A 118 -31.711 25.291 -3.543 1.00 0.27 H new ATOM 0 HG22 THR A 118 -31.794 26.471 -2.213 1.00 0.27 H new ATOM 0 HG23 THR A 118 -32.638 24.911 -2.073 1.00 0.27 H new ATOM 1822 N TYR A 119 -33.395 27.243 -0.174 1.00 0.18 N ATOM 1823 CA TYR A 119 -32.472 27.848 0.849 1.00 0.24 C ATOM 1824 C TYR A 119 -31.264 27.017 0.729 1.00 0.23 C ATOM 1825 O TYR A 119 -31.487 25.837 0.579 1.00 0.29 O ATOM 1826 CB TYR A 119 -33.028 27.704 2.291 1.00 0.43 C ATOM 1827 CG TYR A 119 -32.125 28.292 3.361 1.00 0.31 C ATOM 1828 CD1 TYR A 119 -32.265 29.689 3.720 1.00 0.27 C ATOM 1829 CD2 TYR A 119 -30.992 27.558 3.813 1.00 0.44 C ATOM 1830 CE1 TYR A 119 -31.324 30.203 4.567 1.00 0.33 C ATOM 1831 CE2 TYR A 119 -30.163 28.133 4.796 1.00 0.51 C ATOM 1832 CZ TYR A 119 -30.329 29.448 5.107 1.00 0.44 C ATOM 1833 OH TYR A 119 -29.342 30.044 5.913 1.00 0.60 O ATOM 0 H TYR A 119 -33.783 26.347 0.122 1.00 0.18 H new ATOM 0 HA TYR A 119 -32.321 28.914 0.680 1.00 0.24 H new ATOM 0 HB2 TYR A 119 -34.002 28.190 2.344 1.00 0.43 H new ATOM 0 HB3 TYR A 119 -33.187 26.647 2.505 1.00 0.43 H new ATOM 0 HD1 TYR A 119 -33.073 30.294 3.337 1.00 0.27 H new ATOM 0 HD2 TYR A 119 -30.773 26.580 3.410 1.00 0.44 H new ATOM 0 HE1 TYR A 119 -31.372 31.252 4.818 1.00 0.33 H new ATOM 0 HE2 TYR A 119 -29.409 27.541 5.294 1.00 0.51 H new ATOM 0 HH TYR A 119 -29.505 29.817 6.852 1.00 0.60 H new ATOM 1843 N GLU A 120 -30.071 27.559 0.802 1.00 0.33 N ATOM 1844 CA GLU A 120 -28.861 26.670 0.835 1.00 0.38 C ATOM 1845 C GLU A 120 -27.734 27.490 1.556 1.00 0.55 C ATOM 1846 O GLU A 120 -27.420 28.557 1.062 1.00 0.78 O ATOM 1847 CB GLU A 120 -28.379 26.356 -0.633 1.00 0.46 C ATOM 1848 CG GLU A 120 -27.072 25.487 -0.552 1.00 0.57 C ATOM 1849 CD GLU A 120 -26.424 25.411 -1.908 1.00 0.68 C ATOM 1850 OE1 GLU A 120 -26.776 24.502 -2.693 1.00 0.73 O ATOM 1851 OE2 GLU A 120 -25.598 26.332 -2.204 1.00 0.88 O ATOM 0 H GLU A 120 -29.882 28.561 0.840 1.00 0.33 H new ATOM 0 HA GLU A 120 -29.085 25.731 1.341 1.00 0.38 H new ATOM 0 HB2 GLU A 120 -29.156 25.822 -1.181 1.00 0.46 H new ATOM 0 HB3 GLU A 120 -28.186 27.282 -1.175 1.00 0.46 H new ATOM 0 HG2 GLU A 120 -26.379 25.922 0.168 1.00 0.57 H new ATOM 0 HG3 GLU A 120 -27.312 24.485 -0.197 1.00 0.57 H new ATOM 1858 N ARG A 121 -27.092 27.007 2.636 1.00 0.54 N ATOM 1859 CA ARG A 121 -25.892 27.653 3.246 1.00 0.74 C ATOM 1860 C ARG A 121 -25.057 26.778 4.193 1.00 0.44 C ATOM 1861 O ARG A 121 -25.363 25.600 4.358 1.00 0.31 O ATOM 1862 CB ARG A 121 -26.274 28.976 3.956 1.00 1.17 C ATOM 1863 CG ARG A 121 -26.240 30.237 3.080 1.00 2.28 C ATOM 1864 CD ARG A 121 -25.132 30.305 2.019 1.00 3.33 C ATOM 1865 NE ARG A 121 -24.891 31.685 1.565 1.00 4.09 N ATOM 1866 CZ ARG A 121 -23.967 32.046 0.696 1.00 5.25 C ATOM 1867 NH1 ARG A 121 -23.312 31.157 -0.006 1.00 5.79 N ATOM 1868 NH2 ARG A 121 -23.691 33.303 0.511 1.00 6.09 N ATOM 0 H ARG A 121 -27.383 26.157 3.118 1.00 0.54 H new ATOM 0 HA ARG A 121 -25.242 27.843 2.392 1.00 0.74 H new ATOM 0 HB2 ARG A 121 -27.278 28.869 4.368 1.00 1.17 H new ATOM 0 HB3 ARG A 121 -25.598 29.123 4.798 1.00 1.17 H new ATOM 0 HG2 ARG A 121 -27.202 30.328 2.575 1.00 2.28 H new ATOM 0 HG3 ARG A 121 -26.140 31.104 3.733 1.00 2.28 H new ATOM 0 HD2 ARG A 121 -24.211 29.892 2.429 1.00 3.33 H new ATOM 0 HD3 ARG A 121 -25.408 29.685 1.166 1.00 3.33 H new ATOM 0 HE ARG A 121 -25.485 32.418 1.953 1.00 4.09 H new ATOM 0 HH11 ARG A 121 -23.512 30.164 0.114 1.00 5.79 H new ATOM 0 HH12 ARG A 121 -22.601 31.457 -0.673 1.00 5.79 H new ATOM 0 HH21 ARG A 121 -24.190 34.018 1.040 1.00 6.09 H new ATOM 0 HH22 ARG A 121 -22.975 33.574 -0.163 1.00 6.09 H new ATOM 1882 N VAL A 122 -23.899 27.288 4.672 1.00 0.52 N ATOM 1883 CA VAL A 122 -22.967 26.479 5.424 1.00 0.38 C ATOM 1884 C VAL A 122 -22.502 27.144 6.712 1.00 0.34 C ATOM 1885 O VAL A 122 -22.171 28.312 6.755 1.00 0.42 O ATOM 1886 CB VAL A 122 -21.747 26.283 4.519 1.00 0.44 C ATOM 1887 CG1 VAL A 122 -20.658 25.362 5.140 1.00 0.86 C ATOM 1888 CG2 VAL A 122 -22.175 25.677 3.141 1.00 0.89 C ATOM 0 H VAL A 122 -23.606 28.256 4.541 1.00 0.52 H new ATOM 0 HA VAL A 122 -23.457 25.548 5.708 1.00 0.38 H new ATOM 0 HB VAL A 122 -21.316 27.276 4.391 1.00 0.44 H new ATOM 0 HG11 VAL A 122 -19.823 25.267 4.446 1.00 0.86 H new ATOM 0 HG12 VAL A 122 -20.305 25.796 6.075 1.00 0.86 H new ATOM 0 HG13 VAL A 122 -21.082 24.377 5.334 1.00 0.86 H new ATOM 0 HG21 VAL A 122 -21.294 25.545 2.512 1.00 0.89 H new ATOM 0 HG22 VAL A 122 -22.654 24.711 3.301 1.00 0.89 H new ATOM 0 HG23 VAL A 122 -22.875 26.352 2.648 1.00 0.89 H new ATOM 1898 N SER A 123 -22.404 26.295 7.731 1.00 0.27 N ATOM 1899 CA SER A 123 -21.938 26.567 9.089 1.00 0.28 C ATOM 1900 C SER A 123 -20.649 25.792 9.365 1.00 0.27 C ATOM 1901 O SER A 123 -20.343 24.799 8.694 1.00 0.36 O ATOM 1902 CB SER A 123 -23.018 26.134 10.085 1.00 0.31 C ATOM 1903 OG SER A 123 -24.223 26.784 9.755 1.00 1.13 O ATOM 0 H SER A 123 -22.671 25.317 7.619 1.00 0.27 H new ATOM 0 HA SER A 123 -21.740 27.633 9.197 1.00 0.28 H new ATOM 0 HB2 SER A 123 -23.151 25.053 10.052 1.00 0.31 H new ATOM 0 HB3 SER A 123 -22.718 26.388 11.102 1.00 0.31 H new ATOM 0 HG SER A 123 -24.654 26.316 9.010 1.00 1.13 H new ATOM 1909 N LYS A 124 -19.919 26.169 10.417 1.00 0.26 N ATOM 1910 CA LYS A 124 -18.641 25.515 10.801 1.00 0.28 C ATOM 1911 C LYS A 124 -18.536 25.206 12.297 1.00 0.25 C ATOM 1912 O LYS A 124 -18.924 26.045 13.104 1.00 0.28 O ATOM 1913 CB LYS A 124 -17.433 26.308 10.259 1.00 0.36 C ATOM 1914 CG LYS A 124 -17.425 27.850 10.365 1.00 0.44 C ATOM 1915 CD LYS A 124 -17.099 28.475 11.731 1.00 0.83 C ATOM 1916 CE LYS A 124 -16.826 29.973 11.496 1.00 1.29 C ATOM 1917 NZ LYS A 124 -16.386 30.689 12.711 1.00 1.76 N ATOM 0 H LYS A 124 -20.187 26.935 11.034 1.00 0.26 H new ATOM 0 HA LYS A 124 -18.630 24.536 10.323 1.00 0.28 H new ATOM 0 HB2 LYS A 124 -16.544 25.941 10.772 1.00 0.36 H new ATOM 0 HB3 LYS A 124 -17.321 26.053 9.205 1.00 0.36 H new ATOM 0 HG2 LYS A 124 -16.704 28.231 9.642 1.00 0.44 H new ATOM 0 HG3 LYS A 124 -18.406 28.212 10.057 1.00 0.44 H new ATOM 0 HD2 LYS A 124 -17.930 28.340 12.424 1.00 0.83 H new ATOM 0 HD3 LYS A 124 -16.230 27.991 12.177 1.00 0.83 H new ATOM 0 HE2 LYS A 124 -16.063 30.079 10.725 1.00 1.29 H new ATOM 0 HE3 LYS A 124 -17.732 30.444 11.114 1.00 1.29 H new ATOM 0 HZ1 LYS A 124 -15.965 31.601 12.443 1.00 1.76 H new ATOM 0 HZ2 LYS A 124 -17.204 30.854 13.332 1.00 1.76 H new ATOM 0 HZ3 LYS A 124 -15.679 30.116 13.215 1.00 1.76 H new ATOM 1931 N ARG A 125 -18.107 23.985 12.680 1.00 0.23 N ATOM 1932 CA ARG A 125 -17.950 23.622 14.108 1.00 0.21 C ATOM 1933 C ARG A 125 -16.747 24.302 14.748 1.00 0.23 C ATOM 1934 O ARG A 125 -15.756 24.586 14.085 1.00 0.26 O ATOM 1935 CB ARG A 125 -17.975 22.113 14.426 1.00 0.26 C ATOM 1936 CG ARG A 125 -16.784 21.276 13.969 1.00 0.40 C ATOM 1937 CD ARG A 125 -16.962 19.818 14.418 1.00 0.65 C ATOM 1938 NE ARG A 125 -15.786 19.026 14.041 1.00 1.02 N ATOM 1939 CZ ARG A 125 -15.617 17.721 14.043 1.00 1.53 C ATOM 1940 NH1 ARG A 125 -16.517 16.897 14.499 1.00 2.06 N ATOM 1941 NH2 ARG A 125 -14.506 17.245 13.569 1.00 2.00 N ATOM 0 H ARG A 125 -17.865 23.239 12.028 1.00 0.23 H new ATOM 0 HA ARG A 125 -18.858 24.012 14.567 1.00 0.21 H new ATOM 0 HB2 ARG A 125 -18.072 21.999 15.506 1.00 0.26 H new ATOM 0 HB3 ARG A 125 -18.875 21.690 13.979 1.00 0.26 H new ATOM 0 HG2 ARG A 125 -16.692 21.322 12.884 1.00 0.40 H new ATOM 0 HG3 ARG A 125 -15.862 21.683 14.385 1.00 0.40 H new ATOM 0 HD2 ARG A 125 -17.106 19.777 15.498 1.00 0.65 H new ATOM 0 HD3 ARG A 125 -17.856 19.395 13.960 1.00 0.65 H new ATOM 0 HE ARG A 125 -14.979 19.568 13.731 1.00 1.02 H new ATOM 0 HH11 ARG A 125 -17.395 17.257 14.874 1.00 2.06 H new ATOM 0 HH12 ARG A 125 -16.344 15.892 14.481 1.00 2.06 H new ATOM 0 HH21 ARG A 125 -13.793 17.878 13.208 1.00 2.00 H new ATOM 0 HH22 ARG A 125 -14.347 16.238 13.557 1.00 2.00 H new ATOM 1955 N LEU A 126 -16.826 24.442 16.068 1.00 0.25 N ATOM 1956 CA LEU A 126 -15.733 24.918 16.915 1.00 0.28 C ATOM 1957 C LEU A 126 -15.727 24.317 18.331 1.00 0.31 C ATOM 1958 O LEU A 126 -14.876 24.690 19.134 1.00 0.41 O ATOM 1959 CB LEU A 126 -15.647 26.461 16.864 1.00 0.30 C ATOM 1960 CG LEU A 126 -16.786 27.337 17.425 1.00 0.29 C ATOM 1961 CD1 LEU A 126 -18.103 27.207 16.657 1.00 0.28 C ATOM 1962 CD2 LEU A 126 -17.061 27.126 18.915 1.00 0.30 C ATOM 0 H LEU A 126 -17.673 24.222 16.593 1.00 0.25 H new ATOM 0 HA LEU A 126 -14.801 24.536 16.497 1.00 0.28 H new ATOM 0 HB2 LEU A 126 -14.735 26.748 17.388 1.00 0.30 H new ATOM 0 HB3 LEU A 126 -15.515 26.739 15.818 1.00 0.30 H new ATOM 0 HG LEU A 126 -16.400 28.347 17.287 1.00 0.29 H new ATOM 0 HD11 LEU A 126 -18.854 27.853 17.111 1.00 0.28 H new ATOM 0 HD12 LEU A 126 -17.950 27.503 15.619 1.00 0.28 H new ATOM 0 HD13 LEU A 126 -18.444 26.172 16.693 1.00 0.28 H new ATOM 0 HD21 LEU A 126 -17.875 27.779 19.231 1.00 0.30 H new ATOM 0 HD22 LEU A 126 -17.340 26.087 19.090 1.00 0.30 H new ATOM 0 HD23 LEU A 126 -16.164 27.362 19.488 1.00 0.30 H new ATOM 1974 N ALA A 127 -16.566 23.311 18.636 1.00 0.40 N ATOM 1975 CA ALA A 127 -16.303 22.471 19.813 1.00 0.44 C ATOM 1976 C ALA A 127 -15.209 21.428 19.511 1.00 0.71 C ATOM 1977 O ALA A 127 -15.449 20.503 18.729 1.00 1.34 O ATOM 1978 CB ALA A 127 -17.600 21.812 20.294 1.00 0.44 C ATOM 1979 OXT ALA A 127 -14.100 21.506 20.040 1.00 30.00 O ATOM 0 H ALA A 127 -17.402 23.067 18.105 1.00 0.40 H new ATOM 0 HA ALA A 127 -15.930 23.103 20.619 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -17.392 21.192 21.166 1.00 0.44 H new ATOM 0 HB2 ALA A 127 -18.323 22.583 20.561 1.00 0.44 H new ATOM 0 HB3 ALA A 127 -18.010 21.191 19.497 1.00 0.44 H new TER 1985 ALA A 127 HETATM 1986 C GCH A 201 -28.904 17.620 13.188 1.00 0.06 C HETATM 1987 O GCH A 201 -30.222 17.370 13.595 1.00 -0.39 O HETATM 1988 C1 GCH A 201 -29.000 18.342 11.783 1.00 -0.02 C HETATM 1989 C2 GCH A 201 -27.834 19.337 11.497 1.00 -0.03 C HETATM 1990 C3 GCH A 201 -27.591 20.387 12.557 1.00 -0.03 C HETATM 1991 C4 GCH A 201 -28.256 19.967 13.900 1.00 -0.04 C HETATM 1992 C5 GCH A 201 -28.130 18.544 14.215 1.00 -0.03 C HETATM 1993 C6 GCH A 201 -26.075 20.491 12.813 1.00 -0.06 C HETATM 1994 C7 GCH A 201 -27.772 19.760 10.045 1.00 -0.02 C HETATM 1995 C8 GCH A 201 -28.138 21.236 9.793 1.00 0.06 C HETATM 1996 O1 GCH A 201 -29.487 21.364 9.455 1.00 -0.39 O HETATM 1997 C9 GCH A 201 -27.710 22.236 10.777 1.00 -0.01 C HETATM 1998 C10 GCH A 201 -28.235 21.754 12.134 1.00 -0.03 C HETATM 1999 C11 GCH A 201 -28.098 22.856 13.170 1.00 -0.02 C HETATM 2000 C12 GCH A 201 -28.167 24.356 12.851 1.00 0.06 C HETATM 2001 C13 GCH A 201 -27.598 24.680 11.421 1.00 0.00 C HETATM 2002 C14 GCH A 201 -28.330 23.643 10.439 1.00 -0.03 C HETATM 2003 C15 GCH A 201 -27.982 24.243 9.105 1.00 -0.05 C HETATM 2004 C16 GCH A 201 -28.143 25.735 9.269 1.00 -0.05 C HETATM 2005 C17 GCH A 201 -28.228 25.978 10.726 1.00 -0.03 C HETATM 2006 C18 GCH A 201 -27.856 27.469 11.055 1.00 -0.04 C HETATM 2007 C19 GCH A 201 -27.444 27.662 12.532 1.00 -0.06 C HETATM 2008 C20 GCH A 201 -29.059 28.446 10.885 1.00 -0.04 C HETATM 2009 C21 GCH A 201 -29.789 28.417 9.546 1.00 0.07 C HETATM 2010 C22 GCH A 201 -30.273 29.804 9.311 1.00 0.38 C HETATM 2011 N GCH A 201 -30.606 30.524 10.329 1.00 -0.21 N HETATM 2012 CA GCH A 201 -31.176 31.871 10.249 1.00 0.19 C HETATM 2013 O2 GCH A 201 -30.449 30.121 8.167 1.00 -0.22 O HETATM 2014 C23 GCH A 201 -25.962 24.686 11.451 1.00 -0.06 C HETATM 2015 O3 GCH A 201 -29.569 24.720 13.035 1.00 -0.39 O HETATM 2016 C24 GCH A 201 -30.706 32.819 11.310 1.00 0.12 C HETATM 2017 O4 GCH A 201 -31.620 33.161 12.077 1.00 -0.80 O HETATM 2018 O5 GCH A 201 -29.481 33.068 11.389 1.00 -0.31 O HETATM 0 H9 GCH A 201 -26.912 18.770 11.623 1.00 -0.03 H new HETATM 0 H8 GCH A 201 -25.697 19.527 13.154 1.00 -0.06 H new HETATM 0 H7 GCH A 201 -25.569 20.774 11.890 1.00 -0.06 H new HETATM 0 H6 GCH A 201 -25.886 21.246 13.576 1.00 -0.06 H new HETATM 0 H5 GCH A 201 -27.812 20.547 14.709 1.00 -0.04 H new HETATM 0 H42 GCH A 201 -28.871 22.669 13.915 1.00 -0.02 H new HETATM 0 H41 GCH A 201 -27.138 22.694 13.659 1.00 -0.02 H new HETATM 0 H40 GCH A 201 -27.534 24.952 13.509 1.00 0.06 H new HETATM 0 H4 GCH A 201 -29.314 20.227 13.865 1.00 -0.04 H new HETATM 0 H39 GCH A 201 -30.141 23.983 12.733 1.00 -0.39 H new HETATM 0 H38 GCH A 201 -25.614 25.444 12.153 1.00 -0.06 H new HETATM 0 H37 GCH A 201 -25.600 23.707 11.765 1.00 -0.06 H new HETATM 0 H36 GCH A 201 -25.581 24.912 10.455 1.00 -0.06 H new HETATM 0 H35 GCH A 201 -29.408 23.492 10.499 1.00 -0.03 H new HETATM 0 H34 GCH A 201 -26.962 23.989 8.817 1.00 -0.05 H new HETATM 0 H33 GCH A 201 -28.638 23.863 8.322 1.00 -0.05 H new HETATM 0 H32 GCH A 201 -27.299 26.269 8.833 1.00 -0.05 H new HETATM 0 H31 GCH A 201 -29.040 26.089 8.761 1.00 -0.05 H new HETATM 0 H30 GCH A 201 -29.204 26.015 11.211 1.00 -0.03 H new HETATM 0 H3 GCH A 201 -28.512 18.363 15.220 1.00 -0.03 H new HETATM 0 H29 GCH A 201 -27.046 27.684 10.359 1.00 -0.04 H new HETATM 0 H28 GCH A 201 -29.783 28.232 11.671 1.00 -0.04 H new HETATM 0 H27 GCH A 201 -28.698 29.461 11.052 1.00 -0.04 H new HETATM 0 H26 GCH A 201 -29.123 28.096 8.746 1.00 0.07 H new HETATM 0 H25 GCH A 201 -30.621 27.713 9.570 1.00 0.07 H new HETATM 0 H24 GCH A 201 -30.462 30.126 11.257 1.00 -0.21 H new HETATM 0 H23 GCH A 201 -30.937 32.293 9.273 1.00 0.19 H new HETATM 0 H22 GCH A 201 -32.262 31.794 10.306 1.00 0.19 H new HETATM 0 H21 GCH A 201 -28.270 27.371 13.181 1.00 -0.06 H new HETATM 0 H20 GCH A 201 -26.574 27.043 12.751 1.00 -0.06 H new HETATM 0 H2 GCH A 201 -27.075 18.269 14.221 1.00 -0.03 H new HETATM 0 H19 GCH A 201 -27.197 28.709 12.707 1.00 -0.06 H new HETATM 0 H18 GCH A 201 -26.765 19.579 9.670 1.00 -0.02 H new HETATM 0 H17 GCH A 201 -28.446 19.128 9.466 1.00 -0.02 H new HETATM 0 H16 GCH A 201 -27.511 21.501 8.942 1.00 0.06 H new HETATM 0 H15 GCH A 201 -26.625 22.344 10.777 1.00 -0.01 H new HETATM 0 H14 GCH A 201 -29.301 21.540 12.050 1.00 -0.03 H new HETATM 0 H13 GCH A 201 -30.042 21.106 10.220 1.00 -0.39 H new HETATM 0 H12 GCH A 201 -28.348 16.684 13.133 1.00 0.06 H new HETATM 0 H11 GCH A 201 -29.018 17.586 10.998 1.00 -0.02 H new HETATM 0 H10 GCH A 201 -29.945 18.882 11.728 1.00 -0.02 H new HETATM 0 H1 GCH A 201 -30.814 17.382 12.814 1.00 -0.39 H new HETATM 2061 C1 CHO A 202 -35.008 17.965 9.228 1.00 -0.04 C HETATM 2062 C2 CHO A 202 -33.437 17.900 9.558 1.00 -0.03 C HETATM 2063 C3 CHO A 202 -33.137 17.254 10.855 1.00 0.06 C HETATM 2064 O3 CHO A 202 -31.779 17.396 11.166 1.00 -0.39 O HETATM 2065 C4 CHO A 202 -33.834 18.198 11.882 1.00 -0.02 C HETATM 2066 C5 CHO A 202 -35.363 18.272 11.726 1.00 -0.03 C HETATM 2067 C6 CHO A 202 -35.812 19.045 13.000 1.00 -0.02 C HETATM 2068 C7 CHO A 202 -35.670 20.531 12.827 1.00 0.06 C HETATM 2069 O7 CHO A 202 -34.511 20.997 13.533 1.00 -0.39 O HETATM 2070 C8 CHO A 202 -35.998 21.050 11.390 1.00 -0.01 C HETATM 2071 C9 CHO A 202 -35.401 20.290 10.218 1.00 -0.03 C HETATM 2072 C10 CHO A 202 -35.761 18.817 10.347 1.00 -0.03 C HETATM 2073 C11 CHO A 202 -35.810 20.919 8.945 1.00 -0.02 C HETATM 2074 C12 CHO A 202 -35.640 22.408 8.808 1.00 0.06 C HETATM 2075 C13 CHO A 202 -36.153 23.128 10.040 1.00 0.00 C HETATM 2076 C14 CHO A 202 -35.525 22.494 11.270 1.00 -0.03 C HETATM 2077 C15 CHO A 202 -35.840 23.544 12.307 1.00 -0.05 C HETATM 2078 C16 CHO A 202 -35.900 24.878 11.524 1.00 -0.05 C HETATM 2079 C17 CHO A 202 -35.507 24.517 10.101 1.00 -0.03 C HETATM 2080 C18 CHO A 202 -37.691 23.107 9.978 1.00 -0.06 C HETATM 2081 C19 CHO A 202 -37.213 18.596 10.176 1.00 -0.06 C HETATM 2082 C20 CHO A 202 -35.930 25.577 9.040 1.00 -0.04 C HETATM 2083 C21 CHO A 202 -35.011 25.666 7.886 1.00 -0.06 C HETATM 2084 C22 CHO A 202 -35.981 27.064 9.625 1.00 -0.04 C HETATM 2085 C23 CHO A 202 -37.186 27.919 9.326 1.00 0.07 C HETATM 2086 C24 CHO A 202 -38.471 27.547 9.987 1.00 0.38 C HETATM 2087 O24 CHO A 202 -38.788 26.348 10.054 1.00 -0.22 O HETATM 2088 N25 CHO A 202 -39.204 28.550 10.492 1.00 -0.21 N HETATM 2089 C26 CHO A 202 -40.610 28.410 10.710 1.00 0.19 C HETATM 2090 C27 CHO A 202 -41.151 28.740 12.092 1.00 0.12 C HETATM 2091 OT1 CHO A 202 -40.449 29.517 12.743 1.00 -0.80 O HETATM 2092 OT2 CHO A 202 -42.223 28.184 12.406 1.00 -0.31 O HETATM 0 H262 CHO A 202 -41.125 29.044 9.989 1.00 0.19 H new HETATM 0 H261 CHO A 202 -40.883 27.380 10.481 1.00 0.19 H new HETATM 0 H232 CHO A 202 -36.948 28.946 9.605 1.00 0.07 H new HETATM 0 H231 CHO A 202 -37.347 27.910 8.248 1.00 0.07 H new HETATM 0 H222 CHO A 202 -35.885 26.996 10.709 1.00 -0.04 H new HETATM 0 H221 CHO A 202 -35.101 27.593 9.259 1.00 -0.04 H new HETATM 0 H213 CHO A 202 -34.015 25.938 8.235 1.00 -0.06 H new HETATM 0 H212 CHO A 202 -34.968 24.702 7.380 1.00 -0.06 H new HETATM 0 H211 CHO A 202 -35.372 26.425 7.191 1.00 -0.06 H new HETATM 0 H193 CHO A 202 -37.516 18.923 9.182 1.00 -0.06 H new HETATM 0 H192 CHO A 202 -37.436 17.535 10.292 1.00 -0.06 H new HETATM 0 H191 CHO A 202 -37.759 19.166 10.928 1.00 -0.06 H new HETATM 0 H183 CHO A 202 -38.026 23.614 9.073 1.00 -0.06 H new HETATM 0 H182 CHO A 202 -38.041 22.075 9.966 1.00 -0.06 H new HETATM 0 H181 CHO A 202 -38.097 23.618 10.851 1.00 -0.06 H new HETATM 0 H162 CHO A 202 -36.899 25.312 11.559 1.00 -0.05 H new HETATM 0 H161 CHO A 202 -35.217 25.615 11.947 1.00 -0.05 H new HETATM 0 H152 CHO A 202 -36.787 23.336 12.804 1.00 -0.05 H new HETATM 0 H151 CHO A 202 -35.074 23.576 13.082 1.00 -0.05 H new HETATM 0 H122 CHO A 202 -34.587 22.645 8.656 1.00 0.06 H new HETATM 0 H121 CHO A 202 -36.177 22.760 7.927 1.00 0.06 H new HETATM 0 H112 CHO A 202 -35.248 20.443 8.141 1.00 -0.02 H new HETATM 0 H111 CHO A 202 -36.862 20.686 8.780 1.00 -0.02 H new HETATM 0 HOT CHO A 202 -42.791 28.819 12.890 1.00 -0.31 H new HETATM 0 HO7 CHO A 202 -33.746 21.030 12.921 1.00 -0.39 H new HETATM 0 HO3 CHO A 202 -31.275 17.593 10.349 1.00 -0.39 H new HETATM 0 HN CHO A 202 -38.748 29.432 10.726 1.00 -0.21 H new HETATM 0 H9 CHO A 202 -34.312 20.340 10.224 1.00 -0.03 H new HETATM 0 H8 CHO A 202 -37.076 20.914 11.308 1.00 -0.01 H new HETATM 0 H7 CHO A 202 -36.478 21.064 13.328 1.00 0.06 H new HETATM 0 H62 CHO A 202 -36.850 18.802 13.226 1.00 -0.02 H new HETATM 0 H61 CHO A 202 -35.216 18.719 13.852 1.00 -0.02 H new HETATM 0 H5 CHO A 202 -35.892 17.319 11.700 1.00 -0.03 H new HETATM 0 H42 CHO A 202 -33.598 17.859 12.891 1.00 -0.02 H new HETATM 0 H41 CHO A 202 -33.419 19.201 11.778 1.00 -0.02 H new HETATM 0 H3 CHO A 202 -33.431 16.204 10.851 1.00 0.06 H new HETATM 0 H22 CHO A 202 -32.928 17.356 8.763 1.00 -0.03 H new HETATM 0 H21 CHO A 202 -33.032 18.912 9.562 1.00 -0.03 H new HETATM 0 H20 CHO A 202 -36.915 25.222 8.736 1.00 -0.04 H new HETATM 0 H17 CHO A 202 -34.444 24.504 9.860 1.00 -0.03 H new HETATM 0 H14 CHO A 202 -34.453 22.304 11.320 1.00 -0.03 H new HETATM 0 H12 CHO A 202 -35.165 18.416 8.248 1.00 -0.04 H new HETATM 0 H11 CHO A 202 -35.422 16.958 9.185 1.00 -0.04 H new