USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 754 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 ASN : amide:sc= -1.08 K(o=-2.4,f=-11!) USER MOD Set 1.2: A 83 ASN : amide:sc= -1.31 K(o=-2.4,f=-7.2!) USER MOD Set 2.1: A 73 MET CE :methyl -155:sc= -1.72! (180deg=-2.28!) USER MOD Set 2.2: A 84 TYR OH : rot -87:sc= -1.29! USER MOD Set 3.1: A 51 LYS NZ :NH3+ 138:sc= -0.159 (180deg=-0.84) USER MOD Set 3.2: A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00449) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN :FLIP amide:sc= -0.373 F(o=-1.5,f=-0.37) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0529 USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.106) USER MOD Single : A 17 MET CE :methyl 163:sc= -0.432 (180deg=-1.1) USER MOD Single : A 19 LYS NZ :NH3+ 151:sc= 1.02 (180deg=0.555) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -140:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 150:sc= -0.417 (180deg=-1.9!) USER MOD Single : A 39 ASN : amide:sc= -6.16! C(o=-6.2!,f=-10!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 6:sc= 0.458 USER MOD Single : A 44 MET CE :methyl 150:sc= -1.7 (180deg=-4.2!) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0.045 (180deg=0.036) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -2.12 K(o=-2.1,f=-8.1!) USER MOD Single : A 68 HIS : no HE2:sc= -11.8! C(o=-12!,f=-16!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.266 USER MOD Single : A 79 SER OG : rot 115:sc= 1.15 USER MOD Single : A 85 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 90 ASN : amide:sc= -12.8! C(o=-13!,f=-21!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.0054 F(o=-0.53,f=-0.0054) USER MOD Single : A 97 HIS : no HE2:sc= -0.902 K(o=-0.9,f=-3.9!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -116:sc= -1.28 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 5 0.570 21.724 -3.263 1.00 0.76 N ATOM 16 CA ASN A 5 0.563 21.487 -1.823 1.00 0.53 C ATOM 17 C ASN A 5 0.138 20.055 -1.517 1.00 0.49 C ATOM 18 O ASN A 5 0.164 19.187 -2.388 1.00 0.60 O ATOM 19 CB ASN A 5 -0.377 22.467 -1.112 1.00 0.52 C ATOM 20 CG ASN A 5 -0.453 23.819 -1.800 1.00 0.63 C ATOM 21 OD1 ASN A 5 0.457 24.639 -1.682 1.00 1.19 O ATOM 22 ND2 ASN A 5 -1.542 24.057 -2.522 1.00 1.41 N ATOM 0 HA ASN A 5 1.577 21.644 -1.455 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -1.376 22.033 -1.063 1.00 0.52 H new ATOM 0 HB3 ASN A 5 -0.039 22.606 -0.085 1.00 0.52 H new ATOM 0 HD21 ASN A 5 -1.648 24.949 -3.006 1.00 1.41 H new ATOM 0 HD22 ASN A 5 -2.272 23.348 -2.592 1.00 1.41 H new ATOM 29 N LYS A 6 -0.254 19.818 -0.270 1.00 0.45 N ATOM 30 CA LYS A 6 -0.688 18.492 0.158 1.00 0.49 C ATOM 31 C LYS A 6 -2.183 18.490 0.467 1.00 0.49 C ATOM 32 O LYS A 6 -2.660 19.293 1.268 1.00 0.56 O ATOM 33 CB LYS A 6 0.104 18.017 1.390 1.00 0.64 C ATOM 34 CG LYS A 6 1.030 19.067 1.996 1.00 1.28 C ATOM 35 CD LYS A 6 2.175 19.413 1.056 1.00 1.76 C ATOM 36 CE LYS A 6 2.407 20.913 0.987 1.00 2.52 C ATOM 37 NZ LYS A 6 2.859 21.464 2.295 1.00 3.06 N ATOM 0 H LYS A 6 -0.280 20.527 0.463 1.00 0.45 H new ATOM 0 HA LYS A 6 -0.494 17.800 -0.662 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -0.601 17.690 2.154 1.00 0.64 H new ATOM 0 HB3 LYS A 6 0.698 17.147 1.110 1.00 0.64 H new ATOM 0 HG2 LYS A 6 0.460 19.968 2.223 1.00 1.28 H new ATOM 0 HG3 LYS A 6 1.432 18.698 2.939 1.00 1.28 H new ATOM 0 HD2 LYS A 6 3.086 18.918 1.393 1.00 1.76 H new ATOM 0 HD3 LYS A 6 1.956 19.032 0.059 1.00 1.76 H new ATOM 0 HE2 LYS A 6 3.154 21.130 0.223 1.00 2.52 H new ATOM 0 HE3 LYS A 6 1.486 21.410 0.682 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 3.039 22.484 2.199 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 2.121 21.309 3.011 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 3.733 20.985 2.590 1.00 3.06 H new ATOM 51 N ARG A 7 -2.916 17.583 -0.172 1.00 0.50 N ATOM 52 CA ARG A 7 -4.358 17.476 0.036 1.00 0.52 C ATOM 53 C ARG A 7 -4.824 16.029 -0.090 1.00 0.47 C ATOM 54 O ARG A 7 -4.598 15.376 -1.113 1.00 0.43 O ATOM 55 CB ARG A 7 -5.114 18.364 -0.958 1.00 0.57 C ATOM 56 CG ARG A 7 -5.279 19.801 -0.489 1.00 0.77 C ATOM 57 CD ARG A 7 -4.040 20.631 -0.780 1.00 0.64 C ATOM 58 NE ARG A 7 -4.351 21.836 -1.544 1.00 0.98 N ATOM 59 CZ ARG A 7 -5.049 22.856 -1.053 1.00 1.66 C ATOM 60 NH1 ARG A 7 -5.510 22.810 0.189 1.00 2.46 N ATOM 61 NH2 ARG A 7 -5.284 23.923 -1.805 1.00 2.11 N ATOM 0 H ARG A 7 -2.536 16.911 -0.838 1.00 0.50 H new ATOM 0 HA ARG A 7 -4.576 17.819 1.048 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -4.585 18.360 -1.911 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -6.099 17.935 -1.139 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -6.141 20.249 -0.983 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -5.483 19.814 0.582 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -3.563 20.911 0.159 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -3.322 20.027 -1.334 1.00 0.64 H new ATOM 0 HE ARG A 7 -4.015 21.899 -2.505 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -5.330 21.991 0.770 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -6.045 23.593 0.564 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -4.929 23.962 -2.761 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -5.819 24.705 -1.428 1.00 2.11 H new ATOM 75 N ALA A 8 -5.473 15.548 0.972 1.00 0.50 N ATOM 76 CA ALA A 8 -5.989 14.178 1.049 1.00 0.47 C ATOM 77 C ALA A 8 -6.456 13.633 -0.302 1.00 0.44 C ATOM 78 O ALA A 8 -7.458 14.090 -0.847 1.00 0.56 O ATOM 79 CB ALA A 8 -7.135 14.119 2.044 1.00 0.54 C ATOM 0 H ALA A 8 -5.657 16.101 1.809 1.00 0.50 H new ATOM 0 HA ALA A 8 -5.162 13.548 1.377 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -7.517 13.100 2.099 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -6.779 14.427 3.027 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -7.932 14.788 1.721 1.00 0.54 H new ATOM 85 N PRO A 9 -5.748 12.624 -0.850 1.00 0.36 N ATOM 86 CA PRO A 9 -6.119 12.004 -2.122 1.00 0.37 C ATOM 87 C PRO A 9 -7.360 11.131 -1.973 1.00 0.37 C ATOM 88 O PRO A 9 -7.392 10.220 -1.146 1.00 0.40 O ATOM 89 CB PRO A 9 -4.902 11.138 -2.491 1.00 0.39 C ATOM 90 CG PRO A 9 -3.844 11.465 -1.485 1.00 0.51 C ATOM 91 CD PRO A 9 -4.556 11.992 -0.274 1.00 0.41 C ATOM 0 HA PRO A 9 -6.360 12.747 -2.882 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -5.154 10.078 -2.462 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -4.560 11.357 -3.503 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -3.258 10.580 -1.236 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -3.149 12.206 -1.880 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -4.817 11.194 0.421 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -3.944 12.707 0.276 1.00 0.41 H new ATOM 99 N TYR A 10 -8.385 11.416 -2.768 1.00 0.38 N ATOM 100 CA TYR A 10 -9.627 10.653 -2.710 1.00 0.41 C ATOM 101 C TYR A 10 -9.524 9.379 -3.540 1.00 0.38 C ATOM 102 O TYR A 10 -9.298 9.426 -4.748 1.00 0.44 O ATOM 103 CB TYR A 10 -10.798 11.507 -3.198 1.00 0.49 C ATOM 104 CG TYR A 10 -11.259 12.534 -2.188 1.00 1.15 C ATOM 105 CD1 TYR A 10 -10.567 13.726 -2.014 1.00 1.90 C ATOM 106 CD2 TYR A 10 -12.388 12.311 -1.408 1.00 2.02 C ATOM 107 CE1 TYR A 10 -10.985 14.666 -1.091 1.00 2.78 C ATOM 108 CE2 TYR A 10 -12.812 13.247 -0.484 1.00 2.96 C ATOM 109 CZ TYR A 10 -12.106 14.424 -0.330 1.00 3.18 C ATOM 110 OH TYR A 10 -12.527 15.357 0.589 1.00 4.20 O ATOM 0 H TYR A 10 -8.381 12.167 -3.458 1.00 0.38 H new ATOM 0 HA TYR A 10 -9.803 10.371 -1.672 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -10.507 12.017 -4.116 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -11.634 10.854 -3.448 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -9.688 13.921 -2.610 1.00 1.90 H new ATOM 0 HD2 TYR A 10 -12.942 11.392 -1.526 1.00 2.02 H new ATOM 0 HE1 TYR A 10 -10.434 15.587 -0.967 1.00 2.78 H new ATOM 0 HE2 TYR A 10 -13.691 13.059 0.115 1.00 2.96 H new ATOM 0 HH TYR A 10 -13.333 15.031 1.041 1.00 4.20 H new ATOM 120 N TRP A 11 -9.689 8.237 -2.875 1.00 0.47 N ATOM 121 CA TRP A 11 -9.614 6.940 -3.539 1.00 0.49 C ATOM 122 C TRP A 11 -10.409 6.931 -4.842 1.00 0.42 C ATOM 123 O TRP A 11 -11.558 7.372 -4.884 1.00 0.45 O ATOM 124 CB TRP A 11 -10.135 5.842 -2.607 1.00 0.60 C ATOM 125 CG TRP A 11 -11.620 5.897 -2.394 1.00 0.83 C ATOM 126 CD1 TRP A 11 -12.276 6.490 -1.354 1.00 1.71 C ATOM 127 CD2 TRP A 11 -12.628 5.338 -3.242 1.00 1.65 C ATOM 128 NE1 TRP A 11 -13.633 6.332 -1.504 1.00 2.26 N ATOM 129 CE2 TRP A 11 -13.874 5.628 -2.654 1.00 2.17 C ATOM 130 CE3 TRP A 11 -12.600 4.618 -4.441 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -15.079 5.226 -3.226 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -13.797 4.221 -5.006 1.00 3.54 C ATOM 133 CH2 TRP A 11 -15.021 4.524 -4.398 1.00 3.60 C ATOM 0 H TRP A 11 -9.876 8.185 -1.874 1.00 0.47 H new ATOM 0 HA TRP A 11 -8.568 6.750 -3.780 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -9.870 4.869 -3.020 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -9.634 5.926 -1.643 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -11.799 7.007 -0.534 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -14.345 6.682 -0.863 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -11.661 4.377 -4.916 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -16.025 5.460 -2.761 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -13.788 3.667 -5.933 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -15.938 4.197 -4.864 1.00 3.60 H new ATOM 144 N THR A 12 -9.791 6.419 -5.902 1.00 0.45 N ATOM 145 CA THR A 12 -10.440 6.343 -7.204 1.00 0.50 C ATOM 146 C THR A 12 -11.044 4.962 -7.422 1.00 0.55 C ATOM 147 O THR A 12 -12.265 4.809 -7.489 1.00 0.64 O ATOM 148 CB THR A 12 -9.454 6.649 -8.348 1.00 0.61 C ATOM 149 OG1 THR A 12 -8.732 7.852 -8.062 1.00 1.28 O ATOM 150 CG2 THR A 12 -10.190 6.796 -9.671 1.00 1.23 C ATOM 0 H THR A 12 -8.840 6.050 -5.883 1.00 0.45 H new ATOM 0 HA THR A 12 -11.229 7.095 -7.213 1.00 0.50 H new ATOM 0 HB THR A 12 -8.755 5.816 -8.430 1.00 0.61 H new ATOM 0 HG1 THR A 12 -8.106 8.039 -8.792 1.00 1.28 H new ATOM 0 HG21 THR A 12 -9.474 7.012 -10.464 1.00 1.23 H new ATOM 0 HG22 THR A 12 -10.716 5.869 -9.900 1.00 1.23 H new ATOM 0 HG23 THR A 12 -10.908 7.613 -9.599 1.00 1.23 H new ATOM 158 N ASN A 13 -10.183 3.955 -7.522 1.00 0.56 N ATOM 159 CA ASN A 13 -10.633 2.582 -7.719 1.00 0.66 C ATOM 160 C ASN A 13 -10.825 1.886 -6.379 1.00 0.63 C ATOM 161 O ASN A 13 -10.006 2.031 -5.472 1.00 0.58 O ATOM 162 CB ASN A 13 -9.626 1.802 -8.566 1.00 0.73 C ATOM 163 CG ASN A 13 -10.145 0.436 -8.966 1.00 1.35 C ATOM 164 OD1 ASN A 13 -10.124 -0.503 -8.028 1.00 2.05 O flip ATOM 165 ND2 ASN A 13 -10.558 0.224 -10.107 1.00 1.96 N flip ATOM 0 H ASN A 13 -9.170 4.064 -7.470 1.00 0.56 H new ATOM 0 HA ASN A 13 -11.588 2.611 -8.243 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -9.389 2.375 -9.463 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -8.698 1.686 -8.007 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -10.557 0.975 -10.798 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -10.902 -0.702 -10.361 1.00 1.96 H new ATOM 172 N THR A 14 -11.905 1.126 -6.262 1.00 0.74 N ATOM 173 CA THR A 14 -12.194 0.405 -5.032 1.00 0.78 C ATOM 174 C THR A 14 -11.135 -0.658 -4.771 1.00 0.76 C ATOM 175 O THR A 14 -10.791 -1.435 -5.661 1.00 0.78 O ATOM 176 CB THR A 14 -13.578 -0.271 -5.087 1.00 0.92 C ATOM 177 OG1 THR A 14 -13.861 -0.696 -6.426 1.00 1.06 O ATOM 178 CG2 THR A 14 -14.666 0.679 -4.611 1.00 1.15 C ATOM 0 H THR A 14 -12.594 0.993 -7.003 1.00 0.74 H new ATOM 0 HA THR A 14 -12.189 1.135 -4.223 1.00 0.78 H new ATOM 0 HB THR A 14 -13.561 -1.137 -4.425 1.00 0.92 H new ATOM 0 HG1 THR A 14 -14.741 -1.126 -6.454 1.00 1.06 H new ATOM 0 HG21 THR A 14 -15.633 0.178 -4.659 1.00 1.15 H new ATOM 0 HG22 THR A 14 -14.463 0.978 -3.583 1.00 1.15 H new ATOM 0 HG23 THR A 14 -14.683 1.562 -5.249 1.00 1.15 H new ATOM 186 N GLU A 15 -10.633 -0.702 -3.542 1.00 0.76 N ATOM 187 CA GLU A 15 -9.626 -1.689 -3.169 1.00 0.77 C ATOM 188 C GLU A 15 -10.258 -3.071 -3.004 1.00 0.82 C ATOM 189 O GLU A 15 -9.557 -4.080 -2.923 1.00 0.82 O ATOM 190 CB GLU A 15 -8.933 -1.273 -1.869 1.00 0.79 C ATOM 191 CG GLU A 15 -8.751 0.230 -1.726 1.00 1.35 C ATOM 192 CD GLU A 15 -8.130 0.862 -2.957 1.00 1.75 C ATOM 193 OE1 GLU A 15 -7.662 0.111 -3.839 1.00 2.50 O ATOM 194 OE2 GLU A 15 -8.110 2.109 -3.038 1.00 2.06 O ATOM 0 H GLU A 15 -10.905 -0.069 -2.790 1.00 0.76 H new ATOM 0 HA GLU A 15 -8.885 -1.739 -3.967 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -9.514 -1.641 -1.024 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -7.956 -1.755 -1.818 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -9.719 0.693 -1.534 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -8.122 0.435 -0.860 1.00 1.35 H new ATOM 201 N LYS A 16 -11.586 -3.115 -2.975 1.00 0.88 N ATOM 202 CA LYS A 16 -12.298 -4.375 -2.839 1.00 0.95 C ATOM 203 C LYS A 16 -12.221 -5.179 -4.135 1.00 0.98 C ATOM 204 O LYS A 16 -12.520 -6.374 -4.150 1.00 1.01 O ATOM 205 CB LYS A 16 -13.766 -4.132 -2.467 1.00 1.04 C ATOM 206 CG LYS A 16 -13.999 -2.858 -1.668 1.00 1.44 C ATOM 207 CD LYS A 16 -15.136 -3.021 -0.674 1.00 1.61 C ATOM 208 CE LYS A 16 -16.474 -3.184 -1.382 1.00 2.37 C ATOM 209 NZ LYS A 16 -16.894 -4.609 -1.458 1.00 2.83 N ATOM 0 H LYS A 16 -12.187 -2.294 -3.044 1.00 0.88 H new ATOM 0 HA LYS A 16 -11.822 -4.944 -2.040 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -14.359 -4.090 -3.380 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -14.130 -4.982 -1.890 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -13.086 -2.589 -1.136 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -14.225 -2.037 -2.349 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -14.948 -3.890 -0.043 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -15.174 -2.152 -0.017 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -17.235 -2.609 -0.855 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -16.404 -2.772 -2.389 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -17.878 -4.664 -1.791 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -16.275 -5.118 -2.121 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -16.823 -5.043 -0.515 1.00 2.83 H new ATOM 223 N MET A 17 -11.838 -4.516 -5.227 1.00 0.98 N ATOM 224 CA MET A 17 -11.746 -5.173 -6.524 1.00 1.04 C ATOM 225 C MET A 17 -10.347 -5.728 -6.793 1.00 1.03 C ATOM 226 O MET A 17 -10.130 -6.385 -7.811 1.00 1.17 O ATOM 227 CB MET A 17 -12.134 -4.187 -7.630 1.00 1.21 C ATOM 228 CG MET A 17 -13.492 -3.540 -7.417 1.00 1.44 C ATOM 229 SD MET A 17 -14.857 -4.685 -7.707 1.00 1.83 S ATOM 230 CE MET A 17 -15.221 -5.205 -6.033 1.00 2.16 C ATOM 0 H MET A 17 -11.588 -3.527 -5.236 1.00 0.98 H new ATOM 0 HA MET A 17 -12.436 -6.017 -6.515 1.00 1.04 H new ATOM 0 HB2 MET A 17 -11.375 -3.407 -7.693 1.00 1.21 H new ATOM 0 HB3 MET A 17 -12.135 -4.709 -8.587 1.00 1.21 H new ATOM 0 HG2 MET A 17 -13.553 -3.158 -6.398 1.00 1.44 H new ATOM 0 HG3 MET A 17 -13.592 -2.684 -8.085 1.00 1.44 H new ATOM 0 HE1 MET A 17 -16.209 -5.664 -6.001 1.00 2.16 H new ATOM 0 HE2 MET A 17 -14.474 -5.928 -5.706 1.00 2.16 H new ATOM 0 HE3 MET A 17 -15.202 -4.339 -5.371 1.00 2.16 H new ATOM 240 N GLU A 18 -9.401 -5.475 -5.892 1.00 0.95 N ATOM 241 CA GLU A 18 -8.041 -5.978 -6.080 1.00 1.06 C ATOM 242 C GLU A 18 -7.107 -5.533 -4.959 1.00 0.96 C ATOM 243 O GLU A 18 -6.024 -5.008 -5.219 1.00 1.57 O ATOM 244 CB GLU A 18 -7.489 -5.515 -7.429 1.00 1.43 C ATOM 245 CG GLU A 18 -7.898 -4.102 -7.803 1.00 1.29 C ATOM 246 CD GLU A 18 -6.865 -3.406 -8.667 1.00 2.13 C ATOM 247 OE1 GLU A 18 -5.897 -4.074 -9.089 1.00 2.88 O ATOM 248 OE2 GLU A 18 -7.024 -2.194 -8.924 1.00 2.56 O ATOM 0 H GLU A 18 -9.545 -4.935 -5.039 1.00 0.95 H new ATOM 0 HA GLU A 18 -8.091 -7.067 -6.058 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -6.401 -5.575 -7.406 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -7.830 -6.200 -8.205 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -8.850 -4.131 -8.334 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -8.057 -3.521 -6.894 1.00 1.29 H new ATOM 255 N LYS A 19 -7.519 -5.759 -3.718 1.00 0.84 N ATOM 256 CA LYS A 19 -6.703 -5.389 -2.567 1.00 1.08 C ATOM 257 C LYS A 19 -6.913 -6.370 -1.416 1.00 0.87 C ATOM 258 O LYS A 19 -5.956 -6.807 -0.779 1.00 0.87 O ATOM 259 CB LYS A 19 -7.016 -3.961 -2.118 1.00 1.66 C ATOM 260 CG LYS A 19 -5.792 -3.173 -1.679 1.00 2.57 C ATOM 261 CD LYS A 19 -4.915 -3.976 -0.731 1.00 2.87 C ATOM 262 CE LYS A 19 -3.756 -4.634 -1.465 1.00 3.55 C ATOM 263 NZ LYS A 19 -3.565 -6.051 -1.050 1.00 4.14 N ATOM 0 H LYS A 19 -8.410 -6.195 -3.482 1.00 0.84 H new ATOM 0 HA LYS A 19 -5.656 -5.433 -2.867 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -7.503 -3.431 -2.937 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -7.728 -3.997 -1.294 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -5.211 -2.885 -2.555 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -6.109 -2.252 -1.189 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -4.528 -3.322 0.050 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -5.515 -4.740 -0.238 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -3.937 -4.592 -2.539 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -2.841 -4.074 -1.274 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -3.158 -6.592 -1.839 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -2.921 -6.090 -0.234 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -4.483 -6.462 -0.786 1.00 4.14 H new ATOM 277 N ARG A 20 -8.169 -6.731 -1.161 1.00 0.98 N ATOM 278 CA ARG A 20 -8.482 -7.677 -0.094 1.00 0.92 C ATOM 279 C ARG A 20 -8.367 -9.110 -0.595 1.00 0.94 C ATOM 280 O ARG A 20 -9.294 -9.908 -0.450 1.00 1.30 O ATOM 281 CB ARG A 20 -9.885 -7.425 0.459 1.00 0.95 C ATOM 282 CG ARG A 20 -10.936 -7.216 -0.615 1.00 1.64 C ATOM 283 CD ARG A 20 -12.339 -7.391 -0.061 1.00 2.15 C ATOM 284 NE ARG A 20 -12.824 -6.180 0.599 1.00 2.67 N ATOM 285 CZ ARG A 20 -13.815 -6.169 1.484 1.00 3.29 C ATOM 286 NH1 ARG A 20 -14.420 -7.302 1.817 1.00 3.51 N ATOM 287 NH2 ARG A 20 -14.200 -5.027 2.040 1.00 4.11 N ATOM 0 H ARG A 20 -8.980 -6.386 -1.674 1.00 0.98 H new ATOM 0 HA ARG A 20 -7.760 -7.529 0.709 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -10.178 -8.271 1.082 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -9.859 -6.547 1.105 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -10.832 -6.217 -1.038 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -10.773 -7.924 -1.428 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -13.018 -7.659 -0.871 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -12.348 -8.218 0.648 1.00 2.15 H new ATOM 0 HE ARG A 20 -12.376 -5.293 0.367 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -14.124 -8.182 1.394 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -15.181 -7.293 2.496 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -13.735 -4.155 1.788 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -14.961 -5.021 2.719 1.00 4.11 H new ATOM 348 N VAL A 24 -2.407 -15.361 -1.196 1.00 0.78 N ATOM 349 CA VAL A 24 -1.080 -14.759 -1.253 1.00 0.74 C ATOM 350 C VAL A 24 -0.010 -15.820 -1.503 1.00 0.68 C ATOM 351 O VAL A 24 0.322 -16.597 -0.608 1.00 0.77 O ATOM 352 CB VAL A 24 -0.745 -14.014 0.053 1.00 0.81 C ATOM 353 CG1 VAL A 24 0.586 -13.287 -0.071 1.00 1.32 C ATOM 354 CG2 VAL A 24 -1.859 -13.041 0.413 1.00 1.30 C ATOM 0 HA VAL A 24 -1.089 -14.047 -2.078 1.00 0.74 H new ATOM 0 HB VAL A 24 -0.659 -14.747 0.855 1.00 0.81 H new ATOM 0 HG11 VAL A 24 0.805 -12.767 0.862 1.00 1.32 H new ATOM 0 HG12 VAL A 24 1.377 -14.008 -0.278 1.00 1.32 H new ATOM 0 HG13 VAL A 24 0.531 -12.564 -0.885 1.00 1.32 H new ATOM 0 HG21 VAL A 24 -1.605 -12.524 1.338 1.00 1.30 H new ATOM 0 HG22 VAL A 24 -1.979 -12.313 -0.389 1.00 1.30 H new ATOM 0 HG23 VAL A 24 -2.791 -13.589 0.548 1.00 1.30 H new ATOM 364 N PRO A 25 0.548 -15.873 -2.725 1.00 0.61 N ATOM 365 CA PRO A 25 1.582 -16.852 -3.078 1.00 0.63 C ATOM 366 C PRO A 25 2.874 -16.637 -2.298 1.00 0.57 C ATOM 367 O PRO A 25 3.400 -15.526 -2.241 1.00 0.52 O ATOM 368 CB PRO A 25 1.813 -16.614 -4.574 1.00 0.72 C ATOM 369 CG PRO A 25 1.353 -15.219 -4.813 1.00 0.71 C ATOM 370 CD PRO A 25 0.217 -14.991 -3.859 1.00 0.65 C ATOM 0 HA PRO A 25 1.272 -17.870 -2.841 1.00 0.63 H new ATOM 0 HB2 PRO A 25 2.864 -16.734 -4.836 1.00 0.72 H new ATOM 0 HB3 PRO A 25 1.251 -17.325 -5.179 1.00 0.72 H new ATOM 0 HG2 PRO A 25 2.159 -14.507 -4.638 1.00 0.71 H new ATOM 0 HG3 PRO A 25 1.029 -15.086 -5.845 1.00 0.71 H new ATOM 0 HD2 PRO A 25 0.152 -13.947 -3.552 1.00 0.65 H new ATOM 0 HD3 PRO A 25 -0.742 -15.252 -4.306 1.00 0.65 H new ATOM 378 N ALA A 26 3.382 -17.709 -1.700 1.00 0.61 N ATOM 379 CA ALA A 26 4.614 -17.640 -0.924 1.00 0.60 C ATOM 380 C ALA A 26 5.829 -17.488 -1.833 1.00 0.54 C ATOM 381 O ALA A 26 5.928 -18.147 -2.868 1.00 0.58 O ATOM 382 CB ALA A 26 4.756 -18.879 -0.050 1.00 0.71 C ATOM 0 H ALA A 26 2.959 -18.636 -1.738 1.00 0.61 H new ATOM 0 HA ALA A 26 4.562 -16.760 -0.283 1.00 0.60 H new ATOM 0 HB1 ALA A 26 5.680 -18.815 0.524 1.00 0.71 H new ATOM 0 HB2 ALA A 26 3.908 -18.942 0.632 1.00 0.71 H new ATOM 0 HB3 ALA A 26 4.781 -19.768 -0.680 1.00 0.71 H new ATOM 388 N ALA A 27 6.754 -16.615 -1.438 1.00 0.50 N ATOM 389 CA ALA A 27 7.965 -16.374 -2.215 1.00 0.48 C ATOM 390 C ALA A 27 7.659 -15.590 -3.487 1.00 0.43 C ATOM 391 O ALA A 27 8.389 -15.677 -4.473 1.00 0.46 O ATOM 392 CB ALA A 27 8.649 -17.691 -2.555 1.00 0.55 C ATOM 0 H ALA A 27 6.686 -16.063 -0.583 1.00 0.50 H new ATOM 0 HA ALA A 27 8.641 -15.774 -1.605 1.00 0.48 H new ATOM 0 HB1 ALA A 27 9.551 -17.494 -3.135 1.00 0.55 H new ATOM 0 HB2 ALA A 27 8.916 -18.211 -1.635 1.00 0.55 H new ATOM 0 HB3 ALA A 27 7.971 -18.313 -3.139 1.00 0.55 H new ATOM 398 N ASN A 28 6.574 -14.824 -3.455 1.00 0.39 N ATOM 399 CA ASN A 28 6.167 -14.021 -4.603 1.00 0.36 C ATOM 400 C ASN A 28 6.080 -12.545 -4.228 1.00 0.30 C ATOM 401 O ASN A 28 6.111 -12.193 -3.048 1.00 0.29 O ATOM 402 CB ASN A 28 4.818 -14.503 -5.139 1.00 0.40 C ATOM 403 CG ASN A 28 4.964 -15.416 -6.342 1.00 0.77 C ATOM 404 OD1 ASN A 28 5.362 -16.574 -6.212 1.00 1.42 O ATOM 405 ND2 ASN A 28 4.644 -14.896 -7.522 1.00 1.36 N ATOM 0 H ASN A 28 5.959 -14.742 -2.645 1.00 0.39 H new ATOM 0 HA ASN A 28 6.921 -14.138 -5.382 1.00 0.36 H new ATOM 0 HB2 ASN A 28 4.284 -15.031 -4.349 1.00 0.40 H new ATOM 0 HB3 ASN A 28 4.210 -13.641 -5.413 1.00 0.40 H new ATOM 0 HD21 ASN A 28 4.724 -15.462 -8.367 1.00 1.36 H new ATOM 0 HD22 ASN A 28 4.318 -13.931 -7.583 1.00 1.36 H new ATOM 412 N THR A 29 5.971 -11.683 -5.236 1.00 0.30 N ATOM 413 CA THR A 29 5.880 -10.248 -5.000 1.00 0.28 C ATOM 414 C THR A 29 4.458 -9.856 -4.616 1.00 0.30 C ATOM 415 O THR A 29 3.490 -10.361 -5.183 1.00 0.33 O ATOM 416 CB THR A 29 6.311 -9.434 -6.238 1.00 0.32 C ATOM 417 OG1 THR A 29 5.203 -9.278 -7.133 1.00 0.96 O ATOM 418 CG2 THR A 29 7.464 -10.114 -6.963 1.00 0.92 C ATOM 0 H THR A 29 5.944 -11.953 -6.219 1.00 0.30 H new ATOM 0 HA THR A 29 6.560 -10.018 -4.180 1.00 0.28 H new ATOM 0 HB THR A 29 6.646 -8.453 -5.900 1.00 0.32 H new ATOM 0 HG1 THR A 29 5.513 -9.374 -8.058 1.00 0.96 H new ATOM 0 HG21 THR A 29 7.749 -9.520 -7.832 1.00 0.92 H new ATOM 0 HG22 THR A 29 8.316 -10.202 -6.289 1.00 0.92 H new ATOM 0 HG23 THR A 29 7.154 -11.107 -7.288 1.00 0.92 H new ATOM 426 N VAL A 30 4.337 -8.970 -3.630 1.00 0.33 N ATOM 427 CA VAL A 30 3.031 -8.534 -3.154 1.00 0.39 C ATOM 428 C VAL A 30 2.563 -7.248 -3.829 1.00 0.35 C ATOM 429 O VAL A 30 3.205 -6.203 -3.724 1.00 0.35 O ATOM 430 CB VAL A 30 3.037 -8.323 -1.628 1.00 0.47 C ATOM 431 CG1 VAL A 30 1.641 -7.986 -1.131 1.00 0.56 C ATOM 432 CG2 VAL A 30 3.579 -9.557 -0.923 1.00 0.57 C ATOM 0 H VAL A 30 5.127 -8.542 -3.147 1.00 0.33 H new ATOM 0 HA VAL A 30 2.335 -9.332 -3.414 1.00 0.39 H new ATOM 0 HB VAL A 30 3.692 -7.483 -1.397 1.00 0.47 H new ATOM 0 HG11 VAL A 30 1.665 -7.840 -0.051 1.00 0.56 H new ATOM 0 HG12 VAL A 30 1.294 -7.072 -1.613 1.00 0.56 H new ATOM 0 HG13 VAL A 30 0.962 -8.804 -1.372 1.00 0.56 H new ATOM 0 HG21 VAL A 30 3.576 -9.391 0.154 1.00 0.57 H new ATOM 0 HG22 VAL A 30 2.951 -10.416 -1.159 1.00 0.57 H new ATOM 0 HG23 VAL A 30 4.598 -9.749 -1.258 1.00 0.57 H new ATOM 442 N LYS A 31 1.427 -7.343 -4.513 1.00 0.34 N ATOM 443 CA LYS A 31 0.841 -6.197 -5.200 1.00 0.33 C ATOM 444 C LYS A 31 -0.069 -5.417 -4.253 1.00 0.33 C ATOM 445 O LYS A 31 -1.056 -5.952 -3.746 1.00 0.38 O ATOM 446 CB LYS A 31 0.055 -6.666 -6.436 1.00 0.38 C ATOM 447 CG LYS A 31 -0.909 -5.629 -6.998 1.00 0.60 C ATOM 448 CD LYS A 31 -2.298 -5.781 -6.392 1.00 0.82 C ATOM 449 CE LYS A 31 -3.391 -5.759 -7.452 1.00 1.34 C ATOM 450 NZ LYS A 31 -3.016 -6.540 -8.664 1.00 1.98 N ATOM 0 H LYS A 31 0.892 -8.206 -4.606 1.00 0.34 H new ATOM 0 HA LYS A 31 1.644 -5.537 -5.527 1.00 0.33 H new ATOM 0 HB2 LYS A 31 0.762 -6.948 -7.216 1.00 0.38 H new ATOM 0 HB3 LYS A 31 -0.507 -7.563 -6.176 1.00 0.38 H new ATOM 0 HG2 LYS A 31 -0.529 -4.628 -6.795 1.00 0.60 H new ATOM 0 HG3 LYS A 31 -0.969 -5.734 -8.081 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -2.350 -6.718 -5.837 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -2.471 -4.977 -5.677 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -4.311 -6.164 -7.031 1.00 1.34 H new ATOM 0 HE3 LYS A 31 -3.598 -4.727 -7.736 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 -3.874 -6.929 -9.105 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 -2.530 -5.918 -9.341 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 -2.383 -7.319 -8.393 1.00 1.98 H new ATOM 464 N PHE A 32 0.262 -4.150 -4.021 1.00 0.31 N ATOM 465 CA PHE A 32 -0.538 -3.307 -3.139 1.00 0.35 C ATOM 466 C PHE A 32 -1.211 -2.189 -3.931 1.00 0.32 C ATOM 467 O PHE A 32 -0.540 -1.350 -4.533 1.00 0.32 O ATOM 468 CB PHE A 32 0.359 -2.708 -2.049 1.00 0.44 C ATOM 469 CG PHE A 32 -0.355 -2.363 -0.770 1.00 0.90 C ATOM 470 CD1 PHE A 32 -1.692 -2.007 -0.773 1.00 1.64 C ATOM 471 CD2 PHE A 32 0.324 -2.391 0.439 1.00 1.21 C ATOM 472 CE1 PHE A 32 -2.342 -1.687 0.404 1.00 2.28 C ATOM 473 CE2 PHE A 32 -0.320 -2.073 1.619 1.00 1.91 C ATOM 474 CZ PHE A 32 -1.654 -1.721 1.602 1.00 2.35 C ATOM 0 H PHE A 32 1.074 -3.687 -4.429 1.00 0.31 H new ATOM 0 HA PHE A 32 -1.314 -3.918 -2.677 1.00 0.35 H new ATOM 0 HB2 PHE A 32 1.157 -3.415 -1.825 1.00 0.44 H new ATOM 0 HB3 PHE A 32 0.832 -1.807 -2.440 1.00 0.44 H new ATOM 0 HD1 PHE A 32 -2.234 -1.979 -1.707 1.00 1.64 H new ATOM 0 HD2 PHE A 32 1.369 -2.665 0.458 1.00 1.21 H new ATOM 0 HE1 PHE A 32 -3.386 -1.411 0.387 1.00 2.28 H new ATOM 0 HE2 PHE A 32 0.220 -2.100 2.554 1.00 1.91 H new ATOM 0 HZ PHE A 32 -2.160 -1.472 2.523 1.00 2.35 H new ATOM 484 N ARG A 33 -2.539 -2.196 -3.938 1.00 0.36 N ATOM 485 CA ARG A 33 -3.301 -1.193 -4.669 1.00 0.39 C ATOM 486 C ARG A 33 -4.035 -0.245 -3.725 1.00 0.40 C ATOM 487 O ARG A 33 -4.740 -0.678 -2.813 1.00 0.43 O ATOM 488 CB ARG A 33 -4.301 -1.870 -5.609 1.00 0.47 C ATOM 489 CG ARG A 33 -3.938 -1.734 -7.079 1.00 0.80 C ATOM 490 CD ARG A 33 -2.590 -2.369 -7.384 1.00 0.53 C ATOM 491 NE ARG A 33 -2.387 -2.559 -8.817 1.00 1.09 N ATOM 492 CZ ARG A 33 -1.204 -2.806 -9.370 1.00 1.56 C ATOM 493 NH1 ARG A 33 -0.118 -2.884 -8.613 1.00 2.10 N ATOM 494 NH2 ARG A 33 -1.104 -2.970 -10.682 1.00 2.12 N ATOM 0 H ARG A 33 -3.109 -2.884 -3.446 1.00 0.36 H new ATOM 0 HA ARG A 33 -2.595 -0.604 -5.254 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -4.367 -2.928 -5.355 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -5.289 -1.441 -5.446 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -4.709 -2.204 -7.690 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -3.914 -0.679 -7.352 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -1.794 -1.740 -6.985 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -2.520 -3.331 -6.877 1.00 0.53 H new ATOM 0 HE ARG A 33 -3.200 -2.499 -9.430 1.00 1.09 H new ATOM 0 HH11 ARG A 33 -0.189 -2.754 -7.604 1.00 2.10 H new ATOM 0 HH12 ARG A 33 0.789 -3.074 -9.040 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -1.936 -2.907 -11.269 1.00 2.12 H new ATOM 0 HH22 ARG A 33 -0.195 -3.159 -11.104 1.00 2.12 H new ATOM 508 N CYS A 34 -3.867 1.049 -3.965 1.00 0.39 N ATOM 509 CA CYS A 34 -4.515 2.075 -3.156 1.00 0.41 C ATOM 510 C CYS A 34 -4.663 3.370 -3.952 1.00 0.41 C ATOM 511 O CYS A 34 -4.287 4.445 -3.483 1.00 0.47 O ATOM 512 CB CYS A 34 -3.714 2.332 -1.876 1.00 0.44 C ATOM 513 SG CYS A 34 -4.725 2.374 -0.361 1.00 0.94 S ATOM 0 H CYS A 34 -3.284 1.415 -4.718 1.00 0.39 H new ATOM 0 HA CYS A 34 -5.508 1.719 -2.882 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -2.956 1.556 -1.773 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -3.187 3.281 -1.975 1.00 0.44 H new ATOM 518 N PRO A 35 -5.212 3.280 -5.178 1.00 0.41 N ATOM 519 CA PRO A 35 -5.408 4.444 -6.048 1.00 0.44 C ATOM 520 C PRO A 35 -6.201 5.554 -5.369 1.00 0.34 C ATOM 521 O PRO A 35 -7.256 5.311 -4.783 1.00 0.34 O ATOM 522 CB PRO A 35 -6.187 3.883 -7.249 1.00 0.57 C ATOM 523 CG PRO A 35 -6.675 2.541 -6.817 1.00 0.54 C ATOM 524 CD PRO A 35 -5.682 2.040 -5.812 1.00 0.44 C ATOM 0 HA PRO A 35 -4.458 4.902 -6.322 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -7.018 4.535 -7.517 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -5.548 3.804 -8.129 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -7.671 2.611 -6.379 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -6.747 1.861 -7.666 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -6.142 1.365 -5.090 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -4.867 1.493 -6.286 1.00 0.44 H new ATOM 532 N ALA A 36 -5.684 6.777 -5.454 1.00 0.35 N ATOM 533 CA ALA A 36 -6.340 7.930 -4.849 1.00 0.33 C ATOM 534 C ALA A 36 -5.937 9.223 -5.549 1.00 0.32 C ATOM 535 O ALA A 36 -4.752 9.493 -5.743 1.00 0.38 O ATOM 536 CB ALA A 36 -6.015 8.004 -3.366 1.00 0.40 C ATOM 0 H ALA A 36 -4.812 6.994 -5.937 1.00 0.35 H new ATOM 0 HA ALA A 36 -7.417 7.807 -4.967 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -6.511 8.870 -2.927 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -6.363 7.097 -2.872 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -4.937 8.098 -3.234 1.00 0.40 H new ATOM 542 N GLY A 37 -6.932 10.018 -5.927 1.00 0.33 N ATOM 543 CA GLY A 37 -6.665 11.274 -6.602 1.00 0.36 C ATOM 544 C GLY A 37 -6.750 12.468 -5.671 1.00 0.35 C ATOM 545 O GLY A 37 -7.700 12.599 -4.902 1.00 0.37 O ATOM 0 H GLY A 37 -7.920 9.814 -5.778 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -5.672 11.237 -7.050 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -7.377 11.402 -7.417 1.00 0.36 H new ATOM 549 N GLY A 38 -5.751 13.341 -5.745 1.00 0.36 N ATOM 550 CA GLY A 38 -5.729 14.522 -4.901 1.00 0.39 C ATOM 551 C GLY A 38 -4.640 15.492 -5.305 1.00 0.37 C ATOM 552 O GLY A 38 -4.491 15.810 -6.485 1.00 0.42 O ATOM 0 H GLY A 38 -4.954 13.252 -6.376 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -6.696 15.022 -4.953 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -5.580 14.223 -3.864 1.00 0.39 H new ATOM 556 N ASN A 39 -3.874 15.967 -4.328 1.00 0.40 N ATOM 557 CA ASN A 39 -2.794 16.906 -4.607 1.00 0.47 C ATOM 558 C ASN A 39 -1.530 16.170 -5.044 1.00 0.36 C ATOM 559 O ASN A 39 -1.468 14.944 -4.995 1.00 0.34 O ATOM 560 CB ASN A 39 -2.496 17.758 -3.376 1.00 0.70 C ATOM 561 CG ASN A 39 -2.832 19.220 -3.589 1.00 2.04 C ATOM 562 OD1 ASN A 39 -2.055 20.107 -3.234 1.00 2.41 O ATOM 563 ND2 ASN A 39 -3.996 19.482 -4.172 1.00 2.89 N ATOM 0 H ASN A 39 -3.980 15.720 -3.344 1.00 0.40 H new ATOM 0 HA ASN A 39 -3.117 17.555 -5.421 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -3.065 17.377 -2.528 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -1.441 17.664 -3.120 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -4.276 20.448 -4.341 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -4.610 18.717 -4.451 1.00 2.89 H new ATOM 570 N PRO A 40 -0.502 16.919 -5.479 1.00 0.39 N ATOM 571 CA PRO A 40 0.761 16.335 -5.925 1.00 0.39 C ATOM 572 C PRO A 40 1.681 15.961 -4.763 1.00 0.34 C ATOM 573 O PRO A 40 2.811 15.521 -4.978 1.00 0.40 O ATOM 574 CB PRO A 40 1.376 17.455 -6.757 1.00 0.51 C ATOM 575 CG PRO A 40 0.883 18.707 -6.114 1.00 0.52 C ATOM 576 CD PRO A 40 -0.489 18.394 -5.572 1.00 0.53 C ATOM 0 HA PRO A 40 0.613 15.403 -6.470 1.00 0.39 H new ATOM 0 HB2 PRO A 40 2.465 17.405 -6.747 1.00 0.51 H new ATOM 0 HB3 PRO A 40 1.063 17.394 -7.799 1.00 0.51 H new ATOM 0 HG2 PRO A 40 1.554 19.024 -5.315 1.00 0.52 H new ATOM 0 HG3 PRO A 40 0.839 19.523 -6.835 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -0.650 18.858 -4.599 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -1.274 18.760 -6.234 1.00 0.53 H new ATOM 584 N MET A 41 1.197 16.135 -3.532 1.00 0.31 N ATOM 585 CA MET A 41 1.990 15.809 -2.352 1.00 0.33 C ATOM 586 C MET A 41 1.269 14.793 -1.472 1.00 0.32 C ATOM 587 O MET A 41 0.734 15.139 -0.419 1.00 0.36 O ATOM 588 CB MET A 41 2.280 17.073 -1.544 1.00 0.39 C ATOM 589 CG MET A 41 3.372 16.892 -0.504 1.00 0.47 C ATOM 590 SD MET A 41 4.845 17.869 -0.864 1.00 1.30 S ATOM 591 CE MET A 41 6.070 16.575 -1.040 1.00 1.83 C ATOM 0 H MET A 41 0.265 16.498 -3.330 1.00 0.31 H new ATOM 0 HA MET A 41 2.930 15.372 -2.689 1.00 0.33 H new ATOM 0 HB2 MET A 41 2.569 17.872 -2.227 1.00 0.39 H new ATOM 0 HB3 MET A 41 1.365 17.394 -1.046 1.00 0.39 H new ATOM 0 HG2 MET A 41 2.985 17.173 0.476 1.00 0.47 H new ATOM 0 HG3 MET A 41 3.645 15.838 -0.449 1.00 0.47 H new ATOM 0 HE1 MET A 41 7.039 17.020 -1.265 1.00 1.83 H new ATOM 0 HE2 MET A 41 6.138 16.009 -0.111 1.00 1.83 H new ATOM 0 HE3 MET A 41 5.780 15.907 -1.851 1.00 1.83 H new ATOM 601 N PRO A 42 1.242 13.517 -1.895 1.00 0.32 N ATOM 602 CA PRO A 42 0.588 12.449 -1.158 1.00 0.34 C ATOM 603 C PRO A 42 1.549 11.692 -0.244 1.00 0.35 C ATOM 604 O PRO A 42 2.645 11.315 -0.658 1.00 0.43 O ATOM 605 CB PRO A 42 0.104 11.549 -2.287 1.00 0.40 C ATOM 606 CG PRO A 42 1.162 11.668 -3.340 1.00 0.42 C ATOM 607 CD PRO A 42 1.838 13.009 -3.142 1.00 0.36 C ATOM 0 HA PRO A 42 -0.194 12.810 -0.490 1.00 0.34 H new ATOM 0 HB2 PRO A 42 -0.009 10.518 -1.952 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -0.868 11.870 -2.662 1.00 0.40 H new ATOM 0 HG2 PRO A 42 1.884 10.856 -3.254 1.00 0.42 H new ATOM 0 HG3 PRO A 42 0.724 11.601 -4.336 1.00 0.42 H new ATOM 0 HD2 PRO A 42 2.919 12.904 -3.056 1.00 0.36 H new ATOM 0 HD3 PRO A 42 1.649 13.681 -3.979 1.00 0.36 H new ATOM 615 N THR A 43 1.127 11.462 0.995 1.00 0.32 N ATOM 616 CA THR A 43 1.949 10.740 1.959 1.00 0.35 C ATOM 617 C THR A 43 1.217 9.507 2.476 1.00 0.37 C ATOM 618 O THR A 43 0.294 9.614 3.284 1.00 0.48 O ATOM 619 CB THR A 43 2.338 11.635 3.151 1.00 0.41 C ATOM 620 OG1 THR A 43 1.175 11.956 3.925 1.00 0.94 O ATOM 621 CG2 THR A 43 3.002 12.917 2.670 1.00 1.00 C ATOM 0 H THR A 43 0.222 11.765 1.355 1.00 0.32 H new ATOM 0 HA THR A 43 2.857 10.433 1.440 1.00 0.35 H new ATOM 0 HB THR A 43 3.047 11.087 3.772 1.00 0.41 H new ATOM 0 HG1 THR A 43 0.403 11.464 3.575 1.00 0.94 H new ATOM 0 HG21 THR A 43 3.268 13.533 3.529 1.00 1.00 H new ATOM 0 HG22 THR A 43 3.902 12.671 2.107 1.00 1.00 H new ATOM 0 HG23 THR A 43 2.312 13.466 2.029 1.00 1.00 H new ATOM 629 N MET A 44 1.626 8.336 1.998 1.00 0.35 N ATOM 630 CA MET A 44 1.000 7.083 2.404 1.00 0.41 C ATOM 631 C MET A 44 1.959 6.218 3.215 1.00 0.38 C ATOM 632 O MET A 44 3.130 6.074 2.864 1.00 0.40 O ATOM 633 CB MET A 44 0.542 6.295 1.174 1.00 0.49 C ATOM 634 CG MET A 44 -0.938 6.426 0.870 1.00 0.86 C ATOM 635 SD MET A 44 -1.394 5.613 -0.674 1.00 1.82 S ATOM 636 CE MET A 44 -0.789 3.954 -0.374 1.00 2.30 C ATOM 0 H MET A 44 2.388 8.229 1.329 1.00 0.35 H new ATOM 0 HA MET A 44 0.141 7.335 3.026 1.00 0.41 H new ATOM 0 HB2 MET A 44 1.111 6.632 0.308 1.00 0.49 H new ATOM 0 HB3 MET A 44 0.780 5.242 1.322 1.00 0.49 H new ATOM 0 HG2 MET A 44 -1.514 5.995 1.689 1.00 0.86 H new ATOM 0 HG3 MET A 44 -1.203 7.482 0.814 1.00 0.86 H new ATOM 0 HE1 MET A 44 -1.407 3.238 -0.915 1.00 2.30 H new ATOM 0 HE2 MET A 44 0.243 3.875 -0.717 1.00 2.30 H new ATOM 0 HE3 MET A 44 -0.834 3.738 0.693 1.00 2.30 H new ATOM 646 N ARG A 45 1.445 5.623 4.286 1.00 0.36 N ATOM 647 CA ARG A 45 2.242 4.745 5.131 1.00 0.34 C ATOM 648 C ARG A 45 1.821 3.301 4.893 1.00 0.32 C ATOM 649 O ARG A 45 0.648 3.029 4.635 1.00 0.34 O ATOM 650 CB ARG A 45 2.065 5.111 6.607 1.00 0.37 C ATOM 651 CG ARG A 45 2.133 6.605 6.878 1.00 0.66 C ATOM 652 CD ARG A 45 1.855 6.921 8.339 1.00 0.88 C ATOM 653 NE ARG A 45 2.893 6.395 9.222 1.00 1.57 N ATOM 654 CZ ARG A 45 4.111 6.919 9.318 1.00 2.04 C ATOM 655 NH1 ARG A 45 4.443 7.974 8.588 1.00 2.22 N ATOM 656 NH2 ARG A 45 4.999 6.385 10.147 1.00 2.89 N ATOM 0 H ARG A 45 0.477 5.734 4.589 1.00 0.36 H new ATOM 0 HA ARG A 45 3.295 4.864 4.876 1.00 0.34 H new ATOM 0 HB2 ARG A 45 1.104 4.731 6.954 1.00 0.37 H new ATOM 0 HB3 ARG A 45 2.836 4.609 7.192 1.00 0.37 H new ATOM 0 HG2 ARG A 45 3.119 6.981 6.605 1.00 0.66 H new ATOM 0 HG3 ARG A 45 1.409 7.123 6.249 1.00 0.66 H new ATOM 0 HD2 ARG A 45 1.783 8.001 8.468 1.00 0.88 H new ATOM 0 HD3 ARG A 45 0.890 6.500 8.623 1.00 0.88 H new ATOM 0 HE ARG A 45 2.671 5.582 9.796 1.00 1.57 H new ATOM 0 HH11 ARG A 45 3.763 8.387 7.950 1.00 2.22 H new ATOM 0 HH12 ARG A 45 5.379 8.373 8.665 1.00 2.22 H new ATOM 0 HH21 ARG A 45 4.747 5.573 10.710 1.00 2.89 H new ATOM 0 HH22 ARG A 45 5.934 6.787 10.221 1.00 2.89 H new ATOM 670 N TRP A 46 2.771 2.377 4.962 1.00 0.31 N ATOM 671 CA TRP A 46 2.458 0.971 4.732 1.00 0.31 C ATOM 672 C TRP A 46 2.730 0.129 5.973 1.00 0.26 C ATOM 673 O TRP A 46 3.866 0.043 6.450 1.00 0.29 O ATOM 674 CB TRP A 46 3.250 0.422 3.539 1.00 0.39 C ATOM 675 CG TRP A 46 3.645 1.464 2.534 1.00 0.70 C ATOM 676 CD1 TRP A 46 3.040 1.717 1.335 1.00 1.52 C ATOM 677 CD2 TRP A 46 4.730 2.391 2.638 1.00 1.34 C ATOM 678 NE1 TRP A 46 3.682 2.745 0.691 1.00 1.62 N ATOM 679 CE2 TRP A 46 4.723 3.176 1.471 1.00 1.46 C ATOM 680 CE3 TRP A 46 5.707 2.635 3.608 1.00 2.43 C ATOM 681 CZ2 TRP A 46 5.655 4.187 1.246 1.00 2.14 C ATOM 682 CZ3 TRP A 46 6.632 3.639 3.384 1.00 3.28 C ATOM 683 CH2 TRP A 46 6.599 4.403 2.211 1.00 3.02 C ATOM 0 H TRP A 46 3.750 2.570 5.172 1.00 0.31 H new ATOM 0 HA TRP A 46 1.394 0.908 4.505 1.00 0.31 H new ATOM 0 HB2 TRP A 46 4.150 -0.070 3.909 1.00 0.39 H new ATOM 0 HB3 TRP A 46 2.652 -0.341 3.040 1.00 0.39 H new ATOM 0 HD1 TRP A 46 2.182 1.186 0.950 1.00 1.52 H new ATOM 0 HE1 TRP A 46 3.426 3.126 -0.220 1.00 1.62 H new ATOM 0 HE3 TRP A 46 5.739 2.050 4.516 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 5.632 4.778 0.343 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 7.392 3.837 4.126 1.00 3.28 H new ATOM 0 HH2 TRP A 46 7.335 5.180 2.065 1.00 3.02 H new ATOM 694 N LEU A 47 1.671 -0.499 6.478 1.00 0.25 N ATOM 695 CA LEU A 47 1.766 -1.350 7.659 1.00 0.26 C ATOM 696 C LEU A 47 1.027 -2.665 7.434 1.00 0.24 C ATOM 697 O LEU A 47 -0.143 -2.674 7.050 1.00 0.31 O ATOM 698 CB LEU A 47 1.189 -0.627 8.879 1.00 0.37 C ATOM 699 CG LEU A 47 1.590 -1.218 10.231 1.00 0.80 C ATOM 700 CD1 LEU A 47 2.685 -0.381 10.875 1.00 1.58 C ATOM 701 CD2 LEU A 47 0.380 -1.311 11.150 1.00 1.53 C ATOM 0 H LEU A 47 0.732 -0.433 6.084 1.00 0.25 H new ATOM 0 HA LEU A 47 2.818 -1.570 7.841 1.00 0.26 H new ATOM 0 HB2 LEU A 47 1.505 0.416 8.847 1.00 0.37 H new ATOM 0 HB3 LEU A 47 0.102 -0.633 8.805 1.00 0.37 H new ATOM 0 HG LEU A 47 1.977 -2.224 10.067 1.00 0.80 H new ATOM 0 HD11 LEU A 47 2.958 -0.816 11.836 1.00 1.58 H new ATOM 0 HD12 LEU A 47 3.559 -0.362 10.224 1.00 1.58 H new ATOM 0 HD13 LEU A 47 2.324 0.636 11.027 1.00 1.58 H new ATOM 0 HD21 LEU A 47 0.682 -1.734 12.108 1.00 1.53 H new ATOM 0 HD22 LEU A 47 -0.035 -0.315 11.307 1.00 1.53 H new ATOM 0 HD23 LEU A 47 -0.375 -1.951 10.693 1.00 1.53 H new ATOM 713 N LYS A 48 1.722 -3.771 7.665 1.00 0.22 N ATOM 714 CA LYS A 48 1.146 -5.093 7.479 1.00 0.25 C ATOM 715 C LYS A 48 1.259 -5.935 8.750 1.00 0.26 C ATOM 716 O LYS A 48 2.339 -6.073 9.322 1.00 0.31 O ATOM 717 CB LYS A 48 1.846 -5.805 6.323 1.00 0.34 C ATOM 718 CG LYS A 48 3.363 -5.694 6.377 1.00 0.41 C ATOM 719 CD LYS A 48 4.025 -7.057 6.272 1.00 0.88 C ATOM 720 CE LYS A 48 4.709 -7.241 4.926 1.00 0.73 C ATOM 721 NZ LYS A 48 4.333 -8.531 4.283 1.00 1.37 N ATOM 0 H LYS A 48 2.691 -3.776 7.983 1.00 0.22 H new ATOM 0 HA LYS A 48 0.088 -4.970 7.248 1.00 0.25 H new ATOM 0 HB2 LYS A 48 1.565 -6.858 6.331 1.00 0.34 H new ATOM 0 HB3 LYS A 48 1.492 -5.388 5.380 1.00 0.34 H new ATOM 0 HG2 LYS A 48 3.711 -5.056 5.565 1.00 0.41 H new ATOM 0 HG3 LYS A 48 3.661 -5.215 7.309 1.00 0.41 H new ATOM 0 HD2 LYS A 48 4.757 -7.170 7.072 1.00 0.88 H new ATOM 0 HD3 LYS A 48 3.277 -7.838 6.411 1.00 0.88 H new ATOM 0 HE2 LYS A 48 4.441 -6.415 4.267 1.00 0.73 H new ATOM 0 HE3 LYS A 48 5.790 -7.204 5.060 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 4.793 -8.603 3.353 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 4.642 -9.322 4.884 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 3.301 -8.571 4.162 1.00 1.37 H new ATOM 735 N ASN A 49 0.134 -6.504 9.173 1.00 0.28 N ATOM 736 CA ASN A 49 0.090 -7.348 10.367 1.00 0.35 C ATOM 737 C ASN A 49 0.889 -6.753 11.526 1.00 0.39 C ATOM 738 O ASN A 49 1.528 -7.482 12.285 1.00 0.50 O ATOM 739 CB ASN A 49 0.614 -8.749 10.045 1.00 0.38 C ATOM 740 CG ASN A 49 -0.220 -9.840 10.686 1.00 0.75 C ATOM 741 OD1 ASN A 49 -1.450 -9.788 10.669 1.00 1.53 O ATOM 742 ND2 ASN A 49 0.446 -10.836 11.260 1.00 1.32 N ATOM 0 H ASN A 49 -0.766 -6.396 8.705 1.00 0.28 H new ATOM 0 HA ASN A 49 -0.953 -7.407 10.679 1.00 0.35 H new ATOM 0 HB2 ASN A 49 0.624 -8.891 8.964 1.00 0.38 H new ATOM 0 HB3 ASN A 49 1.645 -8.836 10.387 1.00 0.38 H new ATOM 0 HD21 ASN A 49 -0.063 -11.597 11.710 1.00 1.32 H new ATOM 0 HD22 ASN A 49 1.466 -10.839 11.251 1.00 1.32 H new ATOM 749 N GLY A 50 0.848 -5.432 11.663 1.00 0.38 N ATOM 750 CA GLY A 50 1.570 -4.777 12.741 1.00 0.45 C ATOM 751 C GLY A 50 3.030 -4.532 12.410 1.00 0.48 C ATOM 752 O GLY A 50 3.832 -4.238 13.296 1.00 0.68 O ATOM 0 H GLY A 50 0.330 -4.804 11.049 1.00 0.38 H new ATOM 0 HA2 GLY A 50 1.089 -3.825 12.968 1.00 0.45 H new ATOM 0 HA3 GLY A 50 1.504 -5.389 13.640 1.00 0.45 H new ATOM 756 N LYS A 51 3.375 -4.648 11.133 1.00 0.36 N ATOM 757 CA LYS A 51 4.745 -4.432 10.686 1.00 0.39 C ATOM 758 C LYS A 51 4.785 -3.340 9.625 1.00 0.38 C ATOM 759 O LYS A 51 3.880 -3.233 8.806 1.00 0.39 O ATOM 760 CB LYS A 51 5.338 -5.728 10.130 1.00 0.42 C ATOM 761 CG LYS A 51 6.758 -5.579 9.610 1.00 0.53 C ATOM 762 CD LYS A 51 6.775 -5.191 8.141 1.00 0.75 C ATOM 763 CE LYS A 51 8.147 -5.405 7.522 1.00 0.82 C ATOM 764 NZ LYS A 51 8.600 -6.818 7.656 1.00 1.36 N ATOM 0 H LYS A 51 2.723 -4.891 10.387 1.00 0.36 H new ATOM 0 HA LYS A 51 5.342 -4.116 11.541 1.00 0.39 H new ATOM 0 HB2 LYS A 51 5.325 -6.487 10.912 1.00 0.42 H new ATOM 0 HB3 LYS A 51 4.702 -6.091 9.323 1.00 0.42 H new ATOM 0 HG2 LYS A 51 7.283 -4.822 10.193 1.00 0.53 H new ATOM 0 HG3 LYS A 51 7.297 -6.517 9.746 1.00 0.53 H new ATOM 0 HD2 LYS A 51 6.035 -5.780 7.600 1.00 0.75 H new ATOM 0 HD3 LYS A 51 6.487 -4.145 8.037 1.00 0.75 H new ATOM 0 HE2 LYS A 51 8.117 -5.131 6.467 1.00 0.82 H new ATOM 0 HE3 LYS A 51 8.869 -4.745 8.002 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 9.043 -7.126 6.767 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 9.291 -6.889 8.430 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 7.783 -7.426 7.864 1.00 1.36 H new ATOM 778 N GLU A 52 5.831 -2.534 9.635 1.00 0.38 N ATOM 779 CA GLU A 52 5.958 -1.464 8.654 1.00 0.39 C ATOM 780 C GLU A 52 7.071 -1.770 7.664 1.00 0.43 C ATOM 781 O GLU A 52 8.071 -2.392 8.017 1.00 0.49 O ATOM 782 CB GLU A 52 6.229 -0.129 9.348 1.00 0.44 C ATOM 783 CG GLU A 52 7.545 -0.097 10.104 1.00 1.03 C ATOM 784 CD GLU A 52 7.468 0.732 11.371 1.00 1.38 C ATOM 785 OE1 GLU A 52 7.193 1.947 11.269 1.00 1.71 O ATOM 786 OE2 GLU A 52 7.683 0.167 12.464 1.00 1.90 O ATOM 0 H GLU A 52 6.599 -2.596 10.303 1.00 0.38 H new ATOM 0 HA GLU A 52 5.017 -1.393 8.109 1.00 0.39 H new ATOM 0 HB2 GLU A 52 6.228 0.666 8.602 1.00 0.44 H new ATOM 0 HB3 GLU A 52 5.415 0.083 10.041 1.00 0.44 H new ATOM 0 HG2 GLU A 52 7.839 -1.115 10.358 1.00 1.03 H new ATOM 0 HG3 GLU A 52 8.323 0.307 9.456 1.00 1.03 H new ATOM 793 N PHE A 53 6.905 -1.316 6.428 1.00 0.43 N ATOM 794 CA PHE A 53 7.923 -1.539 5.407 1.00 0.50 C ATOM 795 C PHE A 53 8.141 -0.283 4.572 1.00 0.56 C ATOM 796 O PHE A 53 7.224 0.207 3.912 1.00 0.70 O ATOM 797 CB PHE A 53 7.551 -2.725 4.511 1.00 0.57 C ATOM 798 CG PHE A 53 6.191 -2.627 3.887 1.00 1.46 C ATOM 799 CD1 PHE A 53 5.986 -1.846 2.761 1.00 1.99 C ATOM 800 CD2 PHE A 53 5.113 -3.309 4.429 1.00 2.42 C ATOM 801 CE1 PHE A 53 4.734 -1.747 2.188 1.00 3.14 C ATOM 802 CE2 PHE A 53 3.858 -3.213 3.861 1.00 3.55 C ATOM 803 CZ PHE A 53 3.676 -2.462 2.720 1.00 3.85 C ATOM 0 H PHE A 53 6.086 -0.797 6.110 1.00 0.43 H new ATOM 0 HA PHE A 53 8.858 -1.777 5.914 1.00 0.50 H new ATOM 0 HB2 PHE A 53 8.295 -2.814 3.719 1.00 0.57 H new ATOM 0 HB3 PHE A 53 7.602 -3.640 5.101 1.00 0.57 H new ATOM 0 HD1 PHE A 53 6.816 -1.308 2.326 1.00 1.99 H new ATOM 0 HD2 PHE A 53 5.256 -3.923 5.306 1.00 2.42 H new ATOM 0 HE1 PHE A 53 4.581 -1.113 1.327 1.00 3.14 H new ATOM 0 HE2 PHE A 53 3.020 -3.726 4.310 1.00 3.55 H new ATOM 0 HZ PHE A 53 2.708 -2.432 2.242 1.00 3.85 H new ATOM 813 N LYS A 54 9.363 0.235 4.612 1.00 0.64 N ATOM 814 CA LYS A 54 9.713 1.438 3.864 1.00 0.77 C ATOM 815 C LYS A 54 10.105 1.092 2.434 1.00 1.29 C ATOM 816 O LYS A 54 10.737 0.064 2.183 1.00 1.12 O ATOM 817 CB LYS A 54 10.859 2.176 4.556 1.00 0.86 C ATOM 818 CG LYS A 54 10.439 3.486 5.200 1.00 1.43 C ATOM 819 CD LYS A 54 11.532 4.538 5.086 1.00 1.82 C ATOM 820 CE LYS A 54 10.963 5.896 4.713 1.00 2.44 C ATOM 821 NZ LYS A 54 12.033 6.918 4.545 1.00 3.19 N ATOM 0 H LYS A 54 10.130 -0.160 5.156 1.00 0.64 H new ATOM 0 HA LYS A 54 8.838 2.087 3.834 1.00 0.77 H new ATOM 0 HB2 LYS A 54 11.289 1.527 5.319 1.00 0.86 H new ATOM 0 HB3 LYS A 54 11.644 2.375 3.827 1.00 0.86 H new ATOM 0 HG2 LYS A 54 9.529 3.852 4.724 1.00 1.43 H new ATOM 0 HG3 LYS A 54 10.203 3.317 6.251 1.00 1.43 H new ATOM 0 HD2 LYS A 54 12.065 4.614 6.034 1.00 1.82 H new ATOM 0 HD3 LYS A 54 12.259 4.229 4.335 1.00 1.82 H new ATOM 0 HE2 LYS A 54 10.394 5.810 3.787 1.00 2.44 H new ATOM 0 HE3 LYS A 54 10.267 6.223 5.485 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 11.604 7.831 4.291 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 12.560 7.019 5.436 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 12.683 6.619 3.791 1.00 3.19 H new ATOM 885 N ARG A 58 13.327 -3.167 0.953 1.00 1.00 N ATOM 886 CA ARG A 58 12.397 -4.243 0.629 1.00 0.92 C ATOM 887 C ARG A 58 13.154 -5.516 0.265 1.00 0.69 C ATOM 888 O ARG A 58 14.262 -5.462 -0.268 1.00 0.78 O ATOM 889 CB ARG A 58 11.466 -3.825 -0.511 1.00 1.23 C ATOM 890 CG ARG A 58 10.227 -3.089 -0.032 1.00 1.36 C ATOM 891 CD ARG A 58 9.403 -2.561 -1.195 1.00 1.75 C ATOM 892 NE ARG A 58 8.239 -1.804 -0.740 1.00 2.44 N ATOM 893 CZ ARG A 58 7.442 -1.120 -1.554 1.00 3.22 C ATOM 894 NH1 ARG A 58 7.679 -1.103 -2.858 1.00 3.53 N ATOM 895 NH2 ARG A 58 6.407 -0.454 -1.063 1.00 3.98 N ATOM 0 HA ARG A 58 11.789 -4.447 1.510 1.00 0.92 H new ATOM 0 HB2 ARG A 58 12.014 -3.187 -1.204 1.00 1.23 H new ATOM 0 HB3 ARG A 58 11.162 -4.712 -1.067 1.00 1.23 H new ATOM 0 HG2 ARG A 58 9.616 -3.760 0.572 1.00 1.36 H new ATOM 0 HG3 ARG A 58 10.522 -2.260 0.611 1.00 1.36 H new ATOM 0 HD2 ARG A 58 10.027 -1.925 -1.822 1.00 1.75 H new ATOM 0 HD3 ARG A 58 9.074 -3.395 -1.815 1.00 1.75 H new ATOM 0 HE ARG A 58 8.026 -1.800 0.258 1.00 2.44 H new ATOM 0 HH11 ARG A 58 8.474 -1.616 -3.238 1.00 3.53 H new ATOM 0 HH12 ARG A 58 7.066 -0.577 -3.481 1.00 3.53 H new ATOM 0 HH21 ARG A 58 6.222 -0.466 -0.060 1.00 3.98 H new ATOM 0 HH22 ARG A 58 5.795 0.071 -1.688 1.00 3.98 H new ATOM 909 N ILE A 59 12.546 -6.661 0.556 1.00 0.67 N ATOM 910 CA ILE A 59 13.165 -7.948 0.267 1.00 0.66 C ATOM 911 C ILE A 59 13.252 -8.209 -1.230 1.00 0.59 C ATOM 912 O ILE A 59 12.261 -8.554 -1.871 1.00 0.57 O ATOM 913 CB ILE A 59 12.396 -9.105 0.930 1.00 0.95 C ATOM 914 CG1 ILE A 59 12.119 -8.791 2.400 1.00 1.05 C ATOM 915 CG2 ILE A 59 13.181 -10.403 0.799 1.00 1.16 C ATOM 916 CD1 ILE A 59 13.373 -8.553 3.214 1.00 1.64 C ATOM 0 H ILE A 59 11.626 -6.723 0.991 1.00 0.67 H new ATOM 0 HA ILE A 59 14.173 -7.902 0.679 1.00 0.66 H new ATOM 0 HB ILE A 59 11.440 -9.225 0.420 1.00 0.95 H new ATOM 0 HG12 ILE A 59 11.483 -7.908 2.461 1.00 1.05 H new ATOM 0 HG13 ILE A 59 11.561 -9.617 2.841 1.00 1.05 H new ATOM 0 HG21 ILE A 59 12.626 -11.213 1.272 1.00 1.16 H new ATOM 0 HG22 ILE A 59 13.330 -10.633 -0.256 1.00 1.16 H new ATOM 0 HG23 ILE A 59 14.149 -10.293 1.287 1.00 1.16 H new ATOM 0 HD11 ILE A 59 13.101 -8.336 4.247 1.00 1.64 H new ATOM 0 HD12 ILE A 59 14.001 -9.444 3.184 1.00 1.64 H new ATOM 0 HD13 ILE A 59 13.922 -7.708 2.798 1.00 1.64 H new ATOM 928 N GLY A 60 14.452 -8.058 -1.781 1.00 0.70 N ATOM 929 CA GLY A 60 14.650 -8.299 -3.195 1.00 0.77 C ATOM 930 C GLY A 60 14.567 -7.041 -4.037 1.00 0.74 C ATOM 931 O GLY A 60 14.969 -7.048 -5.201 1.00 0.79 O ATOM 0 H GLY A 60 15.289 -7.773 -1.273 1.00 0.70 H new ATOM 0 HA2 GLY A 60 15.625 -8.763 -3.344 1.00 0.77 H new ATOM 0 HA3 GLY A 60 13.901 -9.011 -3.543 1.00 0.77 H new ATOM 935 N GLY A 61 14.050 -5.956 -3.464 1.00 0.70 N ATOM 936 CA GLY A 61 13.939 -4.719 -4.214 1.00 0.72 C ATOM 937 C GLY A 61 12.702 -3.928 -3.843 1.00 0.74 C ATOM 938 O GLY A 61 11.855 -4.408 -3.090 1.00 1.20 O ATOM 0 H GLY A 61 13.710 -5.912 -2.503 1.00 0.70 H new ATOM 0 HA2 GLY A 61 14.824 -4.109 -4.036 1.00 0.72 H new ATOM 0 HA3 GLY A 61 13.917 -4.944 -5.280 1.00 0.72 H new ATOM 942 N TYR A 62 12.598 -2.711 -4.364 1.00 0.69 N ATOM 943 CA TYR A 62 11.455 -1.855 -4.073 1.00 0.84 C ATOM 944 C TYR A 62 10.964 -1.138 -5.325 1.00 0.73 C ATOM 945 O TYR A 62 11.696 -0.354 -5.930 1.00 0.97 O ATOM 946 CB TYR A 62 11.827 -0.828 -3.004 1.00 1.36 C ATOM 947 CG TYR A 62 12.863 0.172 -3.461 1.00 1.92 C ATOM 948 CD1 TYR A 62 14.220 -0.091 -3.319 1.00 2.32 C ATOM 949 CD2 TYR A 62 12.487 1.381 -4.031 1.00 2.43 C ATOM 950 CE1 TYR A 62 15.171 0.822 -3.734 1.00 3.05 C ATOM 951 CE2 TYR A 62 13.431 2.300 -4.449 1.00 3.07 C ATOM 952 CZ TYR A 62 14.772 2.015 -4.298 1.00 3.35 C ATOM 953 OH TYR A 62 15.716 2.928 -4.711 1.00 4.10 O ATOM 0 H TYR A 62 13.289 -2.296 -4.988 1.00 0.69 H new ATOM 0 HA TYR A 62 10.649 -2.489 -3.705 1.00 0.84 H new ATOM 0 HB2 TYR A 62 10.928 -0.293 -2.698 1.00 1.36 H new ATOM 0 HB3 TYR A 62 12.202 -1.351 -2.124 1.00 1.36 H new ATOM 0 HD1 TYR A 62 14.537 -1.024 -2.877 1.00 2.32 H new ATOM 0 HD2 TYR A 62 11.438 1.607 -4.150 1.00 2.43 H new ATOM 0 HE1 TYR A 62 16.222 0.602 -3.617 1.00 3.05 H new ATOM 0 HE2 TYR A 62 13.121 3.235 -4.891 1.00 3.07 H new ATOM 0 HH TYR A 62 15.268 3.714 -5.087 1.00 4.10 H new ATOM 963 N LYS A 63 9.716 -1.399 -5.703 1.00 0.66 N ATOM 964 CA LYS A 63 9.129 -0.764 -6.874 1.00 0.78 C ATOM 965 C LYS A 63 7.826 -0.063 -6.503 1.00 0.67 C ATOM 966 O LYS A 63 6.889 -0.691 -6.010 1.00 0.54 O ATOM 967 CB LYS A 63 8.875 -1.798 -7.973 1.00 1.11 C ATOM 968 CG LYS A 63 9.945 -1.811 -9.054 1.00 1.28 C ATOM 969 CD LYS A 63 9.897 -0.548 -9.899 1.00 1.83 C ATOM 970 CE LYS A 63 11.053 0.385 -9.575 1.00 2.36 C ATOM 971 NZ LYS A 63 11.296 1.370 -10.666 1.00 3.18 N ATOM 0 H LYS A 63 9.095 -2.044 -5.215 1.00 0.66 H new ATOM 0 HA LYS A 63 9.832 -0.020 -7.249 1.00 0.78 H new ATOM 0 HB2 LYS A 63 8.814 -2.788 -7.522 1.00 1.11 H new ATOM 0 HB3 LYS A 63 7.908 -1.597 -8.433 1.00 1.11 H new ATOM 0 HG2 LYS A 63 10.928 -1.905 -8.593 1.00 1.28 H new ATOM 0 HG3 LYS A 63 9.808 -2.683 -9.693 1.00 1.28 H new ATOM 0 HD2 LYS A 63 9.929 -0.815 -10.955 1.00 1.83 H new ATOM 0 HD3 LYS A 63 8.953 -0.031 -9.729 1.00 1.83 H new ATOM 0 HE2 LYS A 63 10.841 0.916 -8.647 1.00 2.36 H new ATOM 0 HE3 LYS A 63 11.957 -0.201 -9.408 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 12.092 1.987 -10.406 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 11.523 0.864 -11.546 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 10.443 1.947 -10.809 1.00 3.18 H new ATOM 985 N VAL A 64 7.777 1.243 -6.738 1.00 0.81 N ATOM 986 CA VAL A 64 6.593 2.031 -6.423 1.00 0.77 C ATOM 987 C VAL A 64 6.281 3.028 -7.531 1.00 0.82 C ATOM 988 O VAL A 64 7.179 3.679 -8.064 1.00 0.89 O ATOM 989 CB VAL A 64 6.765 2.797 -5.098 1.00 0.85 C ATOM 990 CG1 VAL A 64 6.452 1.897 -3.913 1.00 1.49 C ATOM 991 CG2 VAL A 64 8.173 3.363 -4.989 1.00 1.71 C ATOM 0 H VAL A 64 8.544 1.778 -7.146 1.00 0.81 H new ATOM 0 HA VAL A 64 5.765 1.328 -6.327 1.00 0.77 H new ATOM 0 HB VAL A 64 6.060 3.628 -5.087 1.00 0.85 H new ATOM 0 HG11 VAL A 64 6.580 2.457 -2.987 1.00 1.49 H new ATOM 0 HG12 VAL A 64 5.423 1.545 -3.985 1.00 1.49 H new ATOM 0 HG13 VAL A 64 7.129 1.043 -3.916 1.00 1.49 H new ATOM 0 HG21 VAL A 64 8.277 3.901 -4.047 1.00 1.71 H new ATOM 0 HG22 VAL A 64 8.896 2.548 -5.023 1.00 1.71 H new ATOM 0 HG23 VAL A 64 8.356 4.046 -5.819 1.00 1.71 H new ATOM 1001 N ARG A 65 5.002 3.153 -7.865 1.00 0.82 N ATOM 1002 CA ARG A 65 4.577 4.085 -8.902 1.00 0.92 C ATOM 1003 C ARG A 65 4.559 5.509 -8.356 1.00 1.03 C ATOM 1004 O ARG A 65 4.128 5.744 -7.228 1.00 1.18 O ATOM 1005 CB ARG A 65 3.192 3.706 -9.428 1.00 0.96 C ATOM 1006 CG ARG A 65 2.761 4.518 -10.639 1.00 1.51 C ATOM 1007 CD ARG A 65 3.044 3.776 -11.936 1.00 2.02 C ATOM 1008 NE ARG A 65 4.311 4.187 -12.535 1.00 2.60 N ATOM 1009 CZ ARG A 65 4.774 3.702 -13.683 1.00 3.22 C ATOM 1010 NH1 ARG A 65 4.072 2.800 -14.355 1.00 3.52 N ATOM 1011 NH2 ARG A 65 5.938 4.122 -14.160 1.00 3.99 N ATOM 0 H ARG A 65 4.244 2.623 -7.435 1.00 0.82 H new ATOM 0 HA ARG A 65 5.288 4.032 -9.726 1.00 0.92 H new ATOM 0 HB2 ARG A 65 3.188 2.648 -9.690 1.00 0.96 H new ATOM 0 HB3 ARG A 65 2.460 3.840 -8.631 1.00 0.96 H new ATOM 0 HG2 ARG A 65 1.696 4.739 -10.570 1.00 1.51 H new ATOM 0 HG3 ARG A 65 3.285 5.474 -10.643 1.00 1.51 H new ATOM 0 HD2 ARG A 65 3.065 2.703 -11.743 1.00 2.02 H new ATOM 0 HD3 ARG A 65 2.233 3.957 -12.642 1.00 2.02 H new ATOM 0 HE ARG A 65 4.872 4.885 -12.046 1.00 2.60 H new ATOM 0 HH11 ARG A 65 3.175 2.477 -13.991 1.00 3.52 H new ATOM 0 HH12 ARG A 65 4.429 2.429 -15.236 1.00 3.52 H new ATOM 0 HH21 ARG A 65 6.479 4.818 -13.646 1.00 3.99 H new ATOM 0 HH22 ARG A 65 6.293 3.749 -15.041 1.00 3.99 H new ATOM 1025 N ASN A 66 5.033 6.457 -9.158 1.00 1.03 N ATOM 1026 CA ASN A 66 5.071 7.854 -8.742 1.00 1.16 C ATOM 1027 C ASN A 66 3.749 8.555 -9.036 1.00 1.03 C ATOM 1028 O ASN A 66 3.726 9.630 -9.635 1.00 1.79 O ATOM 1029 CB ASN A 66 6.215 8.586 -9.445 1.00 1.96 C ATOM 1030 CG ASN A 66 6.872 9.621 -8.554 1.00 2.83 C ATOM 1031 OD1 ASN A 66 6.486 10.790 -8.552 1.00 3.41 O ATOM 1032 ND2 ASN A 66 7.870 9.197 -7.789 1.00 3.48 N ATOM 0 H ASN A 66 5.395 6.284 -10.096 1.00 1.03 H new ATOM 0 HA ASN A 66 5.237 7.877 -7.665 1.00 1.16 H new ATOM 0 HB2 ASN A 66 6.962 7.861 -9.768 1.00 1.96 H new ATOM 0 HB3 ASN A 66 5.834 9.073 -10.343 1.00 1.96 H new ATOM 0 HD21 ASN A 66 8.349 9.849 -7.168 1.00 3.48 H new ATOM 0 HD22 ASN A 66 8.158 8.219 -7.822 1.00 3.48 H new ATOM 1039 N GLN A 67 2.648 7.942 -8.610 1.00 1.15 N ATOM 1040 CA GLN A 67 1.324 8.515 -8.827 1.00 1.99 C ATOM 1041 C GLN A 67 0.369 8.168 -7.685 1.00 1.73 C ATOM 1042 O GLN A 67 -0.847 8.298 -7.826 1.00 2.55 O ATOM 1043 CB GLN A 67 0.745 8.017 -10.153 1.00 2.86 C ATOM 1044 CG GLN A 67 1.225 8.805 -11.362 1.00 3.88 C ATOM 1045 CD GLN A 67 2.112 7.984 -12.278 1.00 4.69 C ATOM 1046 OE1 GLN A 67 2.214 6.766 -12.136 1.00 5.12 O ATOM 1047 NE2 GLN A 67 2.761 8.651 -13.225 1.00 5.31 N ATOM 0 H GLN A 67 2.647 7.051 -8.114 1.00 1.15 H new ATOM 0 HA GLN A 67 1.434 9.599 -8.861 1.00 1.99 H new ATOM 0 HB2 GLN A 67 1.011 6.968 -10.285 1.00 2.86 H new ATOM 0 HB3 GLN A 67 -0.343 8.067 -10.106 1.00 2.86 H new ATOM 0 HG2 GLN A 67 0.362 9.164 -11.923 1.00 3.88 H new ATOM 0 HG3 GLN A 67 1.773 9.684 -11.024 1.00 3.88 H new ATOM 0 HE21 GLN A 67 2.647 9.661 -13.307 1.00 5.31 H new ATOM 0 HE22 GLN A 67 3.374 8.153 -13.871 1.00 5.31 H new ATOM 1056 N HIS A 68 0.918 7.720 -6.556 1.00 0.89 N ATOM 1057 CA HIS A 68 0.100 7.353 -5.405 1.00 0.62 C ATOM 1058 C HIS A 68 -1.003 6.392 -5.827 1.00 0.68 C ATOM 1059 O HIS A 68 -2.130 6.465 -5.341 1.00 1.37 O ATOM 1060 CB HIS A 68 -0.509 8.602 -4.763 1.00 0.63 C ATOM 1061 CG HIS A 68 -0.586 8.532 -3.271 1.00 1.42 C ATOM 1062 ND1 HIS A 68 -1.715 8.877 -2.560 1.00 2.23 N ATOM 1063 CD2 HIS A 68 0.338 8.166 -2.353 1.00 2.22 C ATOM 1064 CE1 HIS A 68 -1.483 8.725 -1.270 1.00 2.85 C ATOM 1065 NE2 HIS A 68 -0.243 8.295 -1.116 1.00 2.83 N ATOM 0 H HIS A 68 1.922 7.604 -6.416 1.00 0.89 H new ATOM 0 HA HIS A 68 0.737 6.858 -4.672 1.00 0.62 H new ATOM 0 HB2 HIS A 68 0.083 9.472 -5.047 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -1.511 8.754 -5.163 1.00 0.63 H new ATOM 0 HD1 HIS A 68 -2.593 9.199 -2.967 1.00 2.23 H new ATOM 0 HD2 HIS A 68 1.346 7.834 -2.556 1.00 2.22 H new ATOM 0 HE1 HIS A 68 -2.187 8.919 -0.475 1.00 2.85 H new ATOM 1074 N TRP A 69 -0.667 5.503 -6.754 1.00 0.51 N ATOM 1075 CA TRP A 69 -1.623 4.535 -7.269 1.00 0.45 C ATOM 1076 C TRP A 69 -1.300 3.121 -6.793 1.00 0.37 C ATOM 1077 O TRP A 69 -1.860 2.647 -5.804 1.00 0.44 O ATOM 1078 CB TRP A 69 -1.635 4.587 -8.796 1.00 0.56 C ATOM 1079 CG TRP A 69 -2.723 5.450 -9.359 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -3.606 6.223 -8.657 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -3.041 5.633 -10.743 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -4.452 6.873 -9.522 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -4.126 6.528 -10.807 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -2.512 5.129 -11.933 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -4.691 6.927 -12.016 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 -3.075 5.524 -13.132 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -4.153 6.417 -13.166 1.00 3.14 C ATOM 0 H TRP A 69 0.264 5.434 -7.165 1.00 0.51 H new ATOM 0 HA TRP A 69 -2.610 4.795 -6.887 1.00 0.45 H new ATOM 0 HB2 TRP A 69 -0.671 4.957 -9.146 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -1.748 3.575 -9.185 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -3.634 6.310 -7.581 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -5.202 7.510 -9.251 1.00 1.72 H new ATOM 0 HE3 TRP A 69 -1.678 4.443 -11.917 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -5.524 7.614 -12.045 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 -2.677 5.137 -14.058 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -4.568 6.709 -14.119 1.00 3.14 H new ATOM 1098 N SER A 70 -0.405 2.445 -7.508 1.00 0.35 N ATOM 1099 CA SER A 70 -0.027 1.081 -7.158 1.00 0.33 C ATOM 1100 C SER A 70 1.399 1.018 -6.618 1.00 0.36 C ATOM 1101 O SER A 70 2.236 1.862 -6.942 1.00 0.39 O ATOM 1102 CB SER A 70 -0.161 0.165 -8.376 1.00 0.40 C ATOM 1103 OG SER A 70 -0.009 0.894 -9.582 1.00 1.02 O ATOM 0 H SER A 70 0.070 2.818 -8.330 1.00 0.35 H new ATOM 0 HA SER A 70 -0.703 0.741 -6.373 1.00 0.33 H new ATOM 0 HB2 SER A 70 0.590 -0.623 -8.327 1.00 0.40 H new ATOM 0 HB3 SER A 70 -1.136 -0.323 -8.363 1.00 0.40 H new ATOM 0 HG SER A 70 -0.097 0.286 -10.345 1.00 1.02 H new ATOM 1109 N LEU A 71 1.667 0.002 -5.804 1.00 0.38 N ATOM 1110 CA LEU A 71 2.989 -0.199 -5.220 1.00 0.44 C ATOM 1111 C LEU A 71 3.317 -1.690 -5.169 1.00 0.44 C ATOM 1112 O LEU A 71 2.562 -2.476 -4.596 1.00 0.52 O ATOM 1113 CB LEU A 71 3.062 0.409 -3.814 1.00 0.51 C ATOM 1114 CG LEU A 71 1.713 0.676 -3.139 1.00 0.63 C ATOM 1115 CD1 LEU A 71 1.872 0.733 -1.628 1.00 0.98 C ATOM 1116 CD2 LEU A 71 1.103 1.968 -3.662 1.00 0.80 C ATOM 0 H LEU A 71 0.980 -0.701 -5.532 1.00 0.38 H new ATOM 0 HA LEU A 71 3.724 0.305 -5.848 1.00 0.44 H new ATOM 0 HB2 LEU A 71 3.641 -0.260 -3.177 1.00 0.51 H new ATOM 0 HB3 LEU A 71 3.612 1.348 -3.872 1.00 0.51 H new ATOM 0 HG LEU A 71 1.039 -0.146 -3.381 1.00 0.63 H new ATOM 0 HD11 LEU A 71 0.903 0.924 -1.167 1.00 0.98 H new ATOM 0 HD12 LEU A 71 2.265 -0.218 -1.267 1.00 0.98 H new ATOM 0 HD13 LEU A 71 2.563 1.534 -1.365 1.00 0.98 H new ATOM 0 HD21 LEU A 71 0.145 2.143 -3.172 1.00 0.80 H new ATOM 0 HD22 LEU A 71 1.775 2.799 -3.451 1.00 0.80 H new ATOM 0 HD23 LEU A 71 0.951 1.889 -4.738 1.00 0.80 H new ATOM 1128 N ILE A 72 4.435 -2.080 -5.777 1.00 0.39 N ATOM 1129 CA ILE A 72 4.832 -3.484 -5.800 1.00 0.39 C ATOM 1130 C ILE A 72 6.082 -3.744 -4.961 1.00 0.36 C ATOM 1131 O ILE A 72 7.153 -3.191 -5.225 1.00 0.38 O ATOM 1132 CB ILE A 72 5.078 -3.976 -7.239 1.00 0.42 C ATOM 1133 CG1 ILE A 72 5.243 -5.496 -7.258 1.00 0.44 C ATOM 1134 CG2 ILE A 72 6.301 -3.295 -7.836 1.00 0.45 C ATOM 1135 CD1 ILE A 72 5.640 -6.041 -8.612 1.00 1.12 C ATOM 0 H ILE A 72 5.077 -1.449 -6.256 1.00 0.39 H new ATOM 0 HA ILE A 72 4.001 -4.040 -5.366 1.00 0.39 H new ATOM 0 HB ILE A 72 4.213 -3.715 -7.848 1.00 0.42 H new ATOM 0 HG12 ILE A 72 5.997 -5.781 -6.525 1.00 0.44 H new ATOM 0 HG13 ILE A 72 4.306 -5.959 -6.949 1.00 0.44 H new ATOM 0 HG21 ILE A 72 6.458 -3.656 -8.853 1.00 0.45 H new ATOM 0 HG22 ILE A 72 6.145 -2.216 -7.854 1.00 0.45 H new ATOM 0 HG23 ILE A 72 7.177 -3.525 -7.230 1.00 0.45 H new ATOM 0 HD11 ILE A 72 5.739 -7.125 -8.553 1.00 1.12 H new ATOM 0 HD12 ILE A 72 4.875 -5.786 -9.345 1.00 1.12 H new ATOM 0 HD13 ILE A 72 6.592 -5.605 -8.915 1.00 1.12 H new ATOM 1147 N MET A 73 5.930 -4.602 -3.957 1.00 0.36 N ATOM 1148 CA MET A 73 7.032 -4.964 -3.072 1.00 0.36 C ATOM 1149 C MET A 73 7.223 -6.478 -3.051 1.00 0.33 C ATOM 1150 O MET A 73 6.252 -7.232 -3.008 1.00 0.43 O ATOM 1151 CB MET A 73 6.761 -4.457 -1.655 1.00 0.43 C ATOM 1152 CG MET A 73 5.655 -5.217 -0.941 1.00 0.83 C ATOM 1153 SD MET A 73 4.773 -4.199 0.255 1.00 1.86 S ATOM 1154 CE MET A 73 3.607 -3.361 -0.814 1.00 2.56 C ATOM 0 H MET A 73 5.047 -5.063 -3.735 1.00 0.36 H new ATOM 0 HA MET A 73 7.943 -4.499 -3.449 1.00 0.36 H new ATOM 0 HB2 MET A 73 7.678 -4.530 -1.070 1.00 0.43 H new ATOM 0 HB3 MET A 73 6.495 -3.401 -1.700 1.00 0.43 H new ATOM 0 HG2 MET A 73 4.948 -5.600 -1.678 1.00 0.83 H new ATOM 0 HG3 MET A 73 6.083 -6.080 -0.432 1.00 0.83 H new ATOM 0 HE1 MET A 73 3.308 -2.417 -0.357 1.00 2.56 H new ATOM 0 HE2 MET A 73 4.074 -3.165 -1.779 1.00 2.56 H new ATOM 0 HE3 MET A 73 2.728 -3.989 -0.957 1.00 2.56 H new ATOM 1164 N GLU A 74 8.475 -6.916 -3.073 1.00 0.33 N ATOM 1165 CA GLU A 74 8.780 -8.340 -3.050 1.00 0.31 C ATOM 1166 C GLU A 74 9.055 -8.807 -1.623 1.00 0.31 C ATOM 1167 O GLU A 74 10.012 -8.361 -0.991 1.00 0.37 O ATOM 1168 CB GLU A 74 9.987 -8.639 -3.941 1.00 0.37 C ATOM 1169 CG GLU A 74 10.390 -10.104 -3.952 1.00 0.41 C ATOM 1170 CD GLU A 74 11.081 -10.507 -5.241 1.00 0.89 C ATOM 1171 OE1 GLU A 74 11.438 -9.608 -6.029 1.00 1.12 O ATOM 1172 OE2 GLU A 74 11.264 -11.724 -5.460 1.00 1.52 O ATOM 0 H GLU A 74 9.293 -6.308 -3.107 1.00 0.33 H new ATOM 0 HA GLU A 74 7.915 -8.882 -3.433 1.00 0.31 H new ATOM 0 HB2 GLU A 74 9.761 -8.326 -4.960 1.00 0.37 H new ATOM 0 HB3 GLU A 74 10.834 -8.041 -3.604 1.00 0.37 H new ATOM 0 HG2 GLU A 74 11.054 -10.301 -3.111 1.00 0.41 H new ATOM 0 HG3 GLU A 74 9.504 -10.722 -3.810 1.00 0.41 H new ATOM 1179 N SER A 75 8.208 -9.698 -1.115 1.00 0.29 N ATOM 1180 CA SER A 75 8.369 -10.209 0.240 1.00 0.33 C ATOM 1181 C SER A 75 8.267 -11.731 0.271 1.00 0.33 C ATOM 1182 O SER A 75 7.170 -12.289 0.242 1.00 0.38 O ATOM 1183 CB SER A 75 7.314 -9.598 1.164 1.00 0.41 C ATOM 1184 OG SER A 75 6.221 -9.086 0.422 1.00 1.32 O ATOM 0 H SER A 75 7.407 -10.079 -1.619 1.00 0.29 H new ATOM 0 HA SER A 75 9.362 -9.926 0.590 1.00 0.33 H new ATOM 0 HB2 SER A 75 6.959 -10.353 1.866 1.00 0.41 H new ATOM 0 HB3 SER A 75 7.762 -8.799 1.755 1.00 0.41 H new ATOM 0 HG SER A 75 5.560 -8.703 1.036 1.00 1.32 H new ATOM 1190 N VAL A 76 9.414 -12.396 0.342 1.00 0.37 N ATOM 1191 CA VAL A 76 9.450 -13.851 0.389 1.00 0.41 C ATOM 1192 C VAL A 76 9.162 -14.351 1.798 1.00 0.43 C ATOM 1193 O VAL A 76 8.459 -15.343 1.987 1.00 0.46 O ATOM 1194 CB VAL A 76 10.817 -14.400 -0.066 1.00 0.48 C ATOM 1195 CG1 VAL A 76 11.117 -13.974 -1.495 1.00 1.54 C ATOM 1196 CG2 VAL A 76 11.918 -13.941 0.878 1.00 1.33 C ATOM 0 H VAL A 76 10.331 -11.950 0.368 1.00 0.37 H new ATOM 0 HA VAL A 76 8.681 -14.211 -0.295 1.00 0.41 H new ATOM 0 HB VAL A 76 10.777 -15.489 -0.038 1.00 0.48 H new ATOM 0 HG11 VAL A 76 12.086 -14.371 -1.797 1.00 1.54 H new ATOM 0 HG12 VAL A 76 10.343 -14.359 -2.159 1.00 1.54 H new ATOM 0 HG13 VAL A 76 11.137 -12.886 -1.554 1.00 1.54 H new ATOM 0 HG21 VAL A 76 12.875 -14.338 0.541 1.00 1.33 H new ATOM 0 HG22 VAL A 76 11.960 -12.852 0.886 1.00 1.33 H new ATOM 0 HG23 VAL A 76 11.709 -14.304 1.884 1.00 1.33 H new ATOM 1206 N VAL A 77 9.712 -13.650 2.786 1.00 0.45 N ATOM 1207 CA VAL A 77 9.515 -14.016 4.185 1.00 0.49 C ATOM 1208 C VAL A 77 8.306 -13.298 4.784 1.00 0.45 C ATOM 1209 O VAL A 77 7.472 -13.922 5.440 1.00 0.47 O ATOM 1210 CB VAL A 77 10.761 -13.705 5.043 1.00 0.57 C ATOM 1211 CG1 VAL A 77 10.768 -14.564 6.297 1.00 0.80 C ATOM 1212 CG2 VAL A 77 12.040 -13.909 4.242 1.00 0.77 C ATOM 0 H VAL A 77 10.297 -12.826 2.644 1.00 0.45 H new ATOM 0 HA VAL A 77 9.339 -15.092 4.198 1.00 0.49 H new ATOM 0 HB VAL A 77 10.717 -12.658 5.341 1.00 0.57 H new ATOM 0 HG11 VAL A 77 11.652 -14.333 6.891 1.00 0.80 H new ATOM 0 HG12 VAL A 77 9.873 -14.359 6.884 1.00 0.80 H new ATOM 0 HG13 VAL A 77 10.784 -15.617 6.017 1.00 0.80 H new ATOM 0 HG21 VAL A 77 12.902 -13.683 4.869 1.00 0.77 H new ATOM 0 HG22 VAL A 77 12.097 -14.944 3.905 1.00 0.77 H new ATOM 0 HG23 VAL A 77 12.037 -13.246 3.377 1.00 0.77 H new ATOM 1222 N PRO A 78 8.188 -11.974 4.567 1.00 0.43 N ATOM 1223 CA PRO A 78 7.063 -11.191 5.093 1.00 0.41 C ATOM 1224 C PRO A 78 5.717 -11.740 4.637 1.00 0.35 C ATOM 1225 O PRO A 78 4.697 -11.531 5.292 1.00 0.34 O ATOM 1226 CB PRO A 78 7.292 -9.789 4.517 1.00 0.42 C ATOM 1227 CG PRO A 78 8.744 -9.742 4.192 1.00 0.48 C ATOM 1228 CD PRO A 78 9.122 -11.140 3.794 1.00 0.46 C ATOM 0 HA PRO A 78 7.029 -11.213 6.182 1.00 0.41 H new ATOM 0 HB2 PRO A 78 6.683 -9.622 3.629 1.00 0.42 H new ATOM 0 HB3 PRO A 78 7.023 -9.017 5.238 1.00 0.42 H new ATOM 0 HG2 PRO A 78 8.941 -9.039 3.383 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.326 -9.410 5.052 1.00 0.48 H new ATOM 0 HD2 PRO A 78 9.009 -11.298 2.721 1.00 0.46 H new ATOM 0 HD3 PRO A 78 10.160 -11.362 4.042 1.00 0.46 H new ATOM 1236 N SER A 79 5.724 -12.448 3.512 1.00 0.34 N ATOM 1237 CA SER A 79 4.502 -13.030 2.973 1.00 0.34 C ATOM 1238 C SER A 79 3.794 -13.873 4.028 1.00 0.38 C ATOM 1239 O SER A 79 2.585 -14.089 3.955 1.00 0.39 O ATOM 1240 CB SER A 79 4.820 -13.886 1.747 1.00 0.39 C ATOM 1241 OG SER A 79 4.781 -13.112 0.560 1.00 1.13 O ATOM 0 H SER A 79 6.560 -12.632 2.958 1.00 0.34 H new ATOM 0 HA SER A 79 3.839 -12.217 2.677 1.00 0.34 H new ATOM 0 HB2 SER A 79 5.807 -14.335 1.859 1.00 0.39 H new ATOM 0 HB3 SER A 79 4.103 -14.704 1.675 1.00 0.39 H new ATOM 0 HG SER A 79 5.676 -13.078 0.162 1.00 1.13 H new ATOM 1247 N ASP A 80 4.555 -14.346 5.012 1.00 0.43 N ATOM 1248 CA ASP A 80 3.992 -15.160 6.082 1.00 0.50 C ATOM 1249 C ASP A 80 2.815 -14.445 6.734 1.00 0.42 C ATOM 1250 O ASP A 80 1.917 -15.082 7.282 1.00 0.47 O ATOM 1251 CB ASP A 80 5.060 -15.477 7.130 1.00 0.62 C ATOM 1252 CG ASP A 80 6.071 -16.494 6.637 1.00 1.27 C ATOM 1253 OD1 ASP A 80 5.672 -17.417 5.898 1.00 2.02 O ATOM 1254 OD2 ASP A 80 7.262 -16.366 6.991 1.00 1.69 O ATOM 0 H ASP A 80 5.558 -14.180 5.089 1.00 0.43 H new ATOM 0 HA ASP A 80 3.636 -16.095 5.650 1.00 0.50 H new ATOM 0 HB2 ASP A 80 5.578 -14.559 7.406 1.00 0.62 H new ATOM 0 HB3 ASP A 80 4.579 -15.855 8.032 1.00 0.62 H new ATOM 1259 N LYS A 81 2.825 -13.117 6.662 1.00 0.38 N ATOM 1260 CA LYS A 81 1.753 -12.317 7.243 1.00 0.33 C ATOM 1261 C LYS A 81 0.882 -11.712 6.150 1.00 0.26 C ATOM 1262 O LYS A 81 1.319 -10.833 5.407 1.00 0.27 O ATOM 1263 CB LYS A 81 2.321 -11.195 8.123 1.00 0.40 C ATOM 1264 CG LYS A 81 3.695 -11.489 8.707 1.00 0.91 C ATOM 1265 CD LYS A 81 4.377 -10.218 9.189 1.00 1.02 C ATOM 1266 CE LYS A 81 5.558 -9.851 8.306 1.00 0.87 C ATOM 1267 NZ LYS A 81 6.855 -9.998 9.023 1.00 1.23 N ATOM 0 H LYS A 81 3.560 -12.575 6.209 1.00 0.38 H new ATOM 0 HA LYS A 81 1.145 -12.978 7.862 1.00 0.33 H new ATOM 0 HB2 LYS A 81 2.379 -10.281 7.533 1.00 0.40 H new ATOM 0 HB3 LYS A 81 1.626 -11.003 8.940 1.00 0.40 H new ATOM 0 HG2 LYS A 81 3.597 -12.188 9.537 1.00 0.91 H new ATOM 0 HG3 LYS A 81 4.316 -11.974 7.954 1.00 0.91 H new ATOM 0 HD2 LYS A 81 3.658 -9.399 9.196 1.00 1.02 H new ATOM 0 HD3 LYS A 81 4.717 -10.353 10.216 1.00 1.02 H new ATOM 0 HE2 LYS A 81 5.559 -10.485 7.420 1.00 0.87 H new ATOM 0 HE3 LYS A 81 5.448 -8.823 7.962 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 7.635 -9.738 8.386 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 6.865 -9.374 9.855 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 6.972 -10.985 9.329 1.00 1.23 H new ATOM 1281 N GLY A 82 -0.354 -12.189 6.055 1.00 0.24 N ATOM 1282 CA GLY A 82 -1.267 -11.684 5.051 1.00 0.24 C ATOM 1283 C GLY A 82 -2.196 -10.622 5.602 1.00 0.28 C ATOM 1284 O GLY A 82 -3.415 -10.715 5.478 1.00 0.53 O ATOM 0 H GLY A 82 -0.739 -12.917 6.657 1.00 0.24 H new ATOM 0 HA2 GLY A 82 -0.697 -11.269 4.220 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.857 -12.509 4.652 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.604 -9.588 6.180 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.362 -8.472 6.723 1.00 0.28 C ATOM 1290 C ASN A 83 -1.850 -7.179 6.105 1.00 0.30 C ATOM 1291 O ASN A 83 -0.719 -6.770 6.367 1.00 0.36 O ATOM 1292 CB ASN A 83 -2.229 -8.422 8.245 1.00 0.40 C ATOM 1293 CG ASN A 83 -3.082 -7.334 8.866 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -3.382 -6.324 8.229 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -3.478 -7.535 10.119 1.00 0.96 N ATOM 0 H ASN A 83 -0.593 -9.499 6.285 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.417 -8.600 6.482 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -2.515 -9.387 8.663 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -1.185 -8.256 8.510 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -4.054 -6.837 10.590 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -3.206 -8.387 10.609 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.666 -6.547 5.271 1.00 0.33 N ATOM 1303 CA TYR A 84 -2.252 -5.315 4.612 1.00 0.40 C ATOM 1304 C TYR A 84 -3.089 -4.125 5.056 1.00 0.35 C ATOM 1305 O TYR A 84 -4.319 -4.162 5.015 1.00 0.44 O ATOM 1306 CB TYR A 84 -2.336 -5.474 3.095 1.00 0.57 C ATOM 1307 CG TYR A 84 -0.992 -5.694 2.437 1.00 1.17 C ATOM 1308 CD1 TYR A 84 -0.015 -6.468 3.050 1.00 1.96 C ATOM 1309 CD2 TYR A 84 -0.705 -5.129 1.200 1.00 1.74 C ATOM 1310 CE1 TYR A 84 1.213 -6.671 2.447 1.00 2.76 C ATOM 1311 CE2 TYR A 84 0.520 -5.331 0.592 1.00 2.46 C ATOM 1312 CZ TYR A 84 1.484 -6.097 1.235 1.00 2.86 C ATOM 1313 OH TYR A 84 2.695 -6.305 0.616 1.00 3.72 O ATOM 0 H TYR A 84 -3.607 -6.862 5.037 1.00 0.33 H new ATOM 0 HA TYR A 84 -1.219 -5.121 4.901 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -2.988 -6.315 2.861 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -2.799 -4.584 2.669 1.00 0.57 H new ATOM 0 HD1 TYR A 84 -0.217 -6.918 4.011 1.00 1.96 H new ATOM 0 HD2 TYR A 84 -1.450 -4.523 0.706 1.00 1.74 H new ATOM 0 HE1 TYR A 84 1.958 -7.283 2.933 1.00 2.76 H new ATOM 0 HE2 TYR A 84 0.726 -4.897 -0.375 1.00 2.46 H new ATOM 0 HH TYR A 84 3.343 -5.641 0.933 1.00 3.72 H new ATOM 1323 N THR A 85 -2.406 -3.060 5.463 1.00 0.32 N ATOM 1324 CA THR A 85 -3.074 -1.844 5.897 1.00 0.33 C ATOM 1325 C THR A 85 -2.557 -0.641 5.116 1.00 0.29 C ATOM 1326 O THR A 85 -1.366 -0.326 5.159 1.00 0.31 O ATOM 1327 CB THR A 85 -2.873 -1.592 7.403 1.00 0.45 C ATOM 1328 OG1 THR A 85 -2.502 -2.811 8.059 1.00 1.14 O ATOM 1329 CG2 THR A 85 -4.144 -1.040 8.032 1.00 1.00 C ATOM 0 H THR A 85 -1.388 -3.017 5.500 1.00 0.32 H new ATOM 0 HA THR A 85 -4.139 -1.977 5.706 1.00 0.33 H new ATOM 0 HB THR A 85 -2.076 -0.858 7.523 1.00 0.45 H new ATOM 0 HG1 THR A 85 -1.538 -2.956 7.959 1.00 1.14 H new ATOM 0 HG21 THR A 85 -3.979 -0.870 9.096 1.00 1.00 H new ATOM 0 HG22 THR A 85 -4.409 -0.099 7.551 1.00 1.00 H new ATOM 0 HG23 THR A 85 -4.955 -1.756 7.901 1.00 1.00 H new ATOM 1337 N CYS A 86 -3.460 0.025 4.402 1.00 0.30 N ATOM 1338 CA CYS A 86 -3.097 1.192 3.606 1.00 0.30 C ATOM 1339 C CYS A 86 -3.526 2.477 4.305 1.00 0.30 C ATOM 1340 O CYS A 86 -4.717 2.769 4.413 1.00 0.31 O ATOM 1341 CB CYS A 86 -3.742 1.111 2.219 1.00 0.36 C ATOM 1342 SG CYS A 86 -3.356 2.522 1.133 1.00 0.65 S ATOM 0 H CYS A 86 -4.448 -0.224 4.359 1.00 0.30 H new ATOM 0 HA CYS A 86 -2.013 1.203 3.493 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -3.416 0.192 1.732 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -4.823 1.043 2.337 1.00 0.36 H new ATOM 1347 N VAL A 87 -2.548 3.243 4.773 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.827 4.499 5.456 1.00 0.30 C ATOM 1349 C VAL A 87 -2.415 5.689 4.602 1.00 0.31 C ATOM 1350 O VAL A 87 -1.227 5.980 4.466 1.00 0.30 O ATOM 1351 CB VAL A 87 -2.098 4.581 6.811 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -2.451 5.871 7.533 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -2.430 3.372 7.672 1.00 0.97 C ATOM 0 H VAL A 87 -1.557 3.017 4.692 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.903 4.530 5.629 1.00 0.30 H new ATOM 0 HB VAL A 87 -1.024 4.580 6.623 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -1.926 5.909 8.487 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -2.155 6.723 6.921 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -3.526 5.907 7.709 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -1.906 3.449 8.624 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -3.505 3.337 7.851 1.00 0.97 H new ATOM 0 HG23 VAL A 87 -2.118 2.463 7.158 1.00 0.97 H new ATOM 1363 N VAL A 88 -3.395 6.381 4.028 1.00 0.32 N ATOM 1364 CA VAL A 88 -3.097 7.536 3.198 1.00 0.33 C ATOM 1365 C VAL A 88 -3.187 8.828 4.007 1.00 0.30 C ATOM 1366 O VAL A 88 -4.268 9.239 4.428 1.00 0.30 O ATOM 1367 CB VAL A 88 -4.066 7.626 1.997 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -4.033 6.345 1.179 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -5.485 7.919 2.464 1.00 1.50 C ATOM 0 H VAL A 88 -4.387 6.164 4.122 1.00 0.32 H new ATOM 0 HA VAL A 88 -2.079 7.411 2.828 1.00 0.33 H new ATOM 0 HB VAL A 88 -3.737 8.449 1.363 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -4.723 6.432 0.339 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -3.023 6.179 0.804 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -4.329 5.505 1.807 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -6.147 7.977 1.600 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -5.822 7.122 3.126 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -5.503 8.868 3.000 1.00 1.50 H new ATOM 1379 N GLU A 89 -2.040 9.456 4.237 1.00 0.32 N ATOM 1380 CA GLU A 89 -1.993 10.688 5.013 1.00 0.32 C ATOM 1381 C GLU A 89 -1.779 11.902 4.122 1.00 0.31 C ATOM 1382 O GLU A 89 -1.103 11.825 3.096 1.00 0.32 O ATOM 1383 CB GLU A 89 -0.886 10.614 6.064 1.00 0.37 C ATOM 1384 CG GLU A 89 -1.086 11.582 7.217 1.00 0.43 C ATOM 1385 CD GLU A 89 -0.085 12.720 7.202 1.00 0.83 C ATOM 1386 OE1 GLU A 89 1.102 12.462 6.912 1.00 1.33 O ATOM 1387 OE2 GLU A 89 -0.488 13.869 7.477 1.00 1.46 O ATOM 0 H GLU A 89 -1.133 9.133 3.898 1.00 0.32 H new ATOM 0 HA GLU A 89 -2.956 10.799 5.511 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -0.834 9.598 6.456 1.00 0.37 H new ATOM 0 HB3 GLU A 89 0.072 10.821 5.587 1.00 0.37 H new ATOM 0 HG2 GLU A 89 -2.096 11.990 7.173 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -1.002 11.041 8.160 1.00 0.43 H new ATOM 1394 N ASN A 90 -2.332 13.032 4.543 1.00 0.33 N ATOM 1395 CA ASN A 90 -2.185 14.285 3.820 1.00 0.36 C ATOM 1396 C ASN A 90 -2.055 15.433 4.811 1.00 0.43 C ATOM 1397 O ASN A 90 -2.090 15.219 6.024 1.00 0.39 O ATOM 1398 CB ASN A 90 -3.374 14.518 2.886 1.00 0.37 C ATOM 1399 CG ASN A 90 -4.690 14.602 3.634 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -5.192 15.690 3.913 1.00 1.54 O ATOM 1401 ND2 ASN A 90 -5.255 13.447 3.964 1.00 0.86 N ATOM 0 H ASN A 90 -2.893 13.104 5.392 1.00 0.33 H new ATOM 0 HA ASN A 90 -1.284 14.234 3.209 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -3.218 15.441 2.327 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -3.424 13.709 2.158 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -6.141 13.439 4.469 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -4.803 12.568 3.712 1.00 0.86 H new ATOM 1408 N GLU A 91 -1.922 16.649 4.304 1.00 0.57 N ATOM 1409 CA GLU A 91 -1.805 17.815 5.168 1.00 0.66 C ATOM 1410 C GLU A 91 -3.126 18.111 5.881 1.00 0.68 C ATOM 1411 O GLU A 91 -3.164 18.895 6.829 1.00 0.75 O ATOM 1412 CB GLU A 91 -1.369 19.038 4.357 1.00 0.76 C ATOM 1413 CG GLU A 91 -1.296 20.317 5.175 1.00 1.15 C ATOM 1414 CD GLU A 91 -2.497 21.218 4.957 1.00 1.72 C ATOM 1415 OE1 GLU A 91 -3.626 20.691 4.871 1.00 2.34 O ATOM 1416 OE2 GLU A 91 -2.307 22.449 4.871 1.00 2.24 O ATOM 0 H GLU A 91 -1.892 16.854 3.305 1.00 0.57 H new ATOM 0 HA GLU A 91 -1.049 17.595 5.922 1.00 0.66 H new ATOM 0 HB2 GLU A 91 -0.391 18.842 3.917 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -2.066 19.184 3.532 1.00 0.76 H new ATOM 0 HG2 GLU A 91 -1.224 20.064 6.233 1.00 1.15 H new ATOM 0 HG3 GLU A 91 -0.387 20.859 4.914 1.00 1.15 H new ATOM 1423 N TYR A 92 -4.215 17.501 5.407 1.00 0.64 N ATOM 1424 CA TYR A 92 -5.529 17.733 5.995 1.00 0.68 C ATOM 1425 C TYR A 92 -6.028 16.547 6.822 1.00 0.60 C ATOM 1426 O TYR A 92 -7.128 16.600 7.370 1.00 0.63 O ATOM 1427 CB TYR A 92 -6.543 18.051 4.894 1.00 0.75 C ATOM 1428 CG TYR A 92 -7.739 18.838 5.383 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -7.574 20.040 6.056 1.00 1.64 C ATOM 1430 CD2 TYR A 92 -9.033 18.375 5.171 1.00 1.54 C ATOM 1431 CE1 TYR A 92 -8.663 20.763 6.505 1.00 2.10 C ATOM 1432 CE2 TYR A 92 -10.126 19.091 5.616 1.00 2.05 C ATOM 1433 CZ TYR A 92 -9.937 20.283 6.283 1.00 2.19 C ATOM 1434 OH TYR A 92 -11.024 20.998 6.728 1.00 2.77 O ATOM 0 H TYR A 92 -4.210 16.848 4.623 1.00 0.64 H new ATOM 0 HA TYR A 92 -5.427 18.580 6.673 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -6.045 18.615 4.105 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -6.889 17.118 4.450 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -6.577 20.417 6.232 1.00 1.64 H new ATOM 0 HD2 TYR A 92 -9.185 17.441 4.650 1.00 1.54 H new ATOM 0 HE1 TYR A 92 -8.517 21.698 7.026 1.00 2.10 H new ATOM 0 HE2 TYR A 92 -11.125 18.719 5.443 1.00 2.05 H new ATOM 0 HH TYR A 92 -11.848 20.523 6.490 1.00 2.77 H new ATOM 1444 N GLY A 93 -5.237 15.481 6.924 1.00 0.52 N ATOM 1445 CA GLY A 93 -5.676 14.335 7.708 1.00 0.47 C ATOM 1446 C GLY A 93 -5.060 13.019 7.276 1.00 0.40 C ATOM 1447 O GLY A 93 -4.363 12.949 6.265 1.00 0.40 O ATOM 0 H GLY A 93 -4.319 15.388 6.489 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -5.434 14.511 8.756 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -6.761 14.256 7.640 1.00 0.47 H new ATOM 1451 N SER A 94 -5.329 11.973 8.054 1.00 0.38 N ATOM 1452 CA SER A 94 -4.812 10.641 7.767 1.00 0.34 C ATOM 1453 C SER A 94 -5.936 9.610 7.786 1.00 0.34 C ATOM 1454 O SER A 94 -6.779 9.617 8.680 1.00 0.38 O ATOM 1455 CB SER A 94 -3.731 10.258 8.780 1.00 0.35 C ATOM 1456 OG SER A 94 -3.382 11.364 9.596 1.00 1.04 O ATOM 0 H SER A 94 -5.906 12.025 8.893 1.00 0.38 H new ATOM 0 HA SER A 94 -4.371 10.655 6.770 1.00 0.34 H new ATOM 0 HB2 SER A 94 -4.087 9.439 9.405 1.00 0.35 H new ATOM 0 HB3 SER A 94 -2.847 9.897 8.254 1.00 0.35 H new ATOM 0 HG SER A 94 -2.691 11.093 10.236 1.00 1.04 H new ATOM 1462 N ILE A 95 -5.942 8.730 6.790 1.00 0.32 N ATOM 1463 CA ILE A 95 -6.967 7.693 6.690 1.00 0.34 C ATOM 1464 C ILE A 95 -6.335 6.306 6.742 1.00 0.31 C ATOM 1465 O ILE A 95 -5.168 6.137 6.391 1.00 0.29 O ATOM 1466 CB ILE A 95 -7.805 7.824 5.393 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -7.714 9.243 4.807 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -9.256 7.456 5.673 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -8.701 9.508 3.689 1.00 0.47 C ATOM 0 H ILE A 95 -5.250 8.713 6.041 1.00 0.32 H new ATOM 0 HA ILE A 95 -7.634 7.827 7.542 1.00 0.34 H new ATOM 0 HB ILE A 95 -7.397 7.135 4.654 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.880 9.967 5.605 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -6.703 9.407 4.433 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -9.839 7.551 4.757 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -9.308 6.428 6.032 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -9.661 8.126 6.431 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -8.576 10.529 3.328 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -8.522 8.809 2.872 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -9.717 9.377 4.062 1.00 0.47 H new ATOM 1481 N ASN A 96 -7.103 5.317 7.192 1.00 0.34 N ATOM 1482 CA ASN A 96 -6.598 3.949 7.299 1.00 0.34 C ATOM 1483 C ASN A 96 -7.506 2.947 6.585 1.00 0.34 C ATOM 1484 O ASN A 96 -8.731 3.030 6.669 1.00 0.38 O ATOM 1485 CB ASN A 96 -6.448 3.557 8.770 1.00 0.38 C ATOM 1486 CG ASN A 96 -7.780 3.471 9.486 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -8.399 4.621 9.728 1.00 2.04 O flip ATOM 1488 ND2 ASN A 96 -8.249 2.383 9.819 1.00 1.12 N flip ATOM 0 H ASN A 96 -8.072 5.435 7.487 1.00 0.34 H new ATOM 0 HA ASN A 96 -5.624 3.921 6.811 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -5.941 2.595 8.836 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -5.814 4.287 9.274 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -7.740 1.524 9.613 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -9.147 2.341 10.301 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.885 1.988 5.899 1.00 0.32 N ATOM 1496 CA HIS A 97 -7.614 0.946 5.178 1.00 0.34 C ATOM 1497 C HIS A 97 -6.974 -0.423 5.418 1.00 0.33 C ATOM 1498 O HIS A 97 -5.755 -0.561 5.341 1.00 0.33 O ATOM 1499 CB HIS A 97 -7.645 1.255 3.680 1.00 0.36 C ATOM 1500 CG HIS A 97 -8.110 2.644 3.368 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -9.110 3.279 4.074 1.00 1.25 N ATOM 1502 CD2 HIS A 97 -7.706 3.522 2.419 1.00 1.06 C ATOM 1503 CE1 HIS A 97 -9.302 4.487 3.572 1.00 1.06 C ATOM 1504 NE2 HIS A 97 -8.463 4.658 2.568 1.00 0.85 N ATOM 0 H HIS A 97 -5.870 1.912 5.828 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.637 0.923 5.554 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -6.646 1.113 3.267 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -8.301 0.540 3.183 1.00 0.36 H new ATOM 0 HD1 HIS A 97 -9.622 2.879 4.861 1.00 1.25 H new ATOM 0 HD2 HIS A 97 -6.933 3.359 1.683 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -10.023 5.210 3.924 1.00 1.06 H new ATOM 1513 N THR A 98 -7.794 -1.431 5.714 1.00 0.35 N ATOM 1514 CA THR A 98 -7.284 -2.780 5.967 1.00 0.35 C ATOM 1515 C THR A 98 -7.742 -3.768 4.898 1.00 0.35 C ATOM 1516 O THR A 98 -8.829 -3.629 4.334 1.00 0.36 O ATOM 1517 CB THR A 98 -7.736 -3.299 7.345 1.00 0.38 C ATOM 1518 OG1 THR A 98 -7.262 -4.636 7.545 1.00 1.33 O ATOM 1519 CG2 THR A 98 -9.252 -3.272 7.462 1.00 1.36 C ATOM 0 H THR A 98 -8.808 -1.341 5.784 1.00 0.35 H new ATOM 0 HA THR A 98 -6.197 -2.707 5.942 1.00 0.35 H new ATOM 0 HB THR A 98 -7.316 -2.646 8.110 1.00 0.38 H new ATOM 0 HG1 THR A 98 -7.552 -4.958 8.424 1.00 1.33 H new ATOM 0 HG21 THR A 98 -9.548 -3.643 8.443 1.00 1.36 H new ATOM 0 HG22 THR A 98 -9.608 -2.249 7.338 1.00 1.36 H new ATOM 0 HG23 THR A 98 -9.688 -3.904 6.689 1.00 1.36 H new ATOM 1527 N TYR A 99 -6.908 -4.772 4.626 1.00 0.39 N ATOM 1528 CA TYR A 99 -7.231 -5.788 3.628 1.00 0.42 C ATOM 1529 C TYR A 99 -6.866 -7.191 4.127 1.00 0.42 C ATOM 1530 O TYR A 99 -5.774 -7.414 4.651 1.00 0.45 O ATOM 1531 CB TYR A 99 -6.518 -5.476 2.312 1.00 0.53 C ATOM 1532 CG TYR A 99 -6.468 -3.997 1.997 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -7.527 -3.371 1.352 1.00 0.73 C ATOM 1534 CD2 TYR A 99 -5.367 -3.228 2.350 1.00 0.85 C ATOM 1535 CE1 TYR A 99 -7.492 -2.020 1.067 1.00 0.81 C ATOM 1536 CE2 TYR A 99 -5.323 -1.875 2.066 1.00 0.96 C ATOM 1537 CZ TYR A 99 -6.388 -1.276 1.425 1.00 0.81 C ATOM 1538 OH TYR A 99 -6.348 0.069 1.144 1.00 0.96 O ATOM 0 H TYR A 99 -6.005 -4.902 5.083 1.00 0.39 H new ATOM 0 HA TYR A 99 -8.307 -5.770 3.456 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -5.501 -5.866 2.356 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -7.024 -5.997 1.499 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -8.393 -3.951 1.068 1.00 0.73 H new ATOM 0 HD2 TYR A 99 -4.533 -3.693 2.854 1.00 0.85 H new ATOM 0 HE1 TYR A 99 -8.325 -1.549 0.566 1.00 0.81 H new ATOM 0 HE2 TYR A 99 -4.459 -1.290 2.345 1.00 0.96 H new ATOM 0 HH TYR A 99 -5.619 0.250 0.514 1.00 0.96 H new ATOM 1548 N HIS A 100 -7.808 -8.119 3.980 1.00 0.41 N ATOM 1549 CA HIS A 100 -7.621 -9.500 4.437 1.00 0.44 C ATOM 1550 C HIS A 100 -6.842 -10.356 3.434 1.00 0.42 C ATOM 1551 O HIS A 100 -7.312 -10.640 2.323 1.00 0.45 O ATOM 1552 CB HIS A 100 -8.974 -10.146 4.734 1.00 0.53 C ATOM 1553 CG HIS A 100 -9.881 -9.282 5.552 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -9.540 -8.802 6.799 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -11.124 -8.809 5.297 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -10.531 -8.071 7.275 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -11.505 -8.058 6.383 1.00 1.70 N ATOM 0 H HIS A 100 -8.714 -7.942 3.546 1.00 0.41 H new ATOM 0 HA HIS A 100 -7.026 -9.453 5.349 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -9.467 -10.387 3.792 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -8.811 -11.087 5.259 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -11.707 -8.989 4.406 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -10.543 -7.569 8.231 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -12.395 -7.570 6.484 1.00 1.70 H new ATOM 1566 N LEU A 101 -5.646 -10.777 3.849 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.791 -11.611 3.010 1.00 0.45 C ATOM 1568 C LEU A 101 -4.397 -12.907 3.722 1.00 0.48 C ATOM 1569 O LEU A 101 -4.170 -12.924 4.932 1.00 0.53 O ATOM 1570 CB LEU A 101 -3.523 -10.855 2.590 1.00 0.51 C ATOM 1571 CG LEU A 101 -3.527 -9.346 2.853 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -2.107 -8.804 2.853 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -4.375 -8.626 1.815 1.00 1.63 C ATOM 0 H LEU A 101 -5.250 -10.553 4.762 1.00 0.44 H new ATOM 0 HA LEU A 101 -5.369 -11.863 2.121 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -2.672 -11.293 3.112 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -3.362 -11.018 1.524 1.00 0.51 H new ATOM 0 HG LEU A 101 -3.964 -9.167 3.836 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -2.127 -7.731 3.041 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -1.529 -9.298 3.634 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -1.645 -8.994 1.884 1.00 1.90 H new ATOM 0 HD21 LEU A 101 -4.366 -7.555 2.017 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -3.968 -8.811 0.821 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -5.399 -8.996 1.862 1.00 1.63 H new ATOM 1585 N ASP A 102 -4.314 -13.990 2.958 1.00 0.50 N ATOM 1586 CA ASP A 102 -3.938 -15.289 3.508 1.00 0.57 C ATOM 1587 C ASP A 102 -2.709 -15.839 2.790 1.00 0.54 C ATOM 1588 O ASP A 102 -2.529 -15.623 1.591 1.00 0.53 O ATOM 1589 CB ASP A 102 -5.100 -16.278 3.404 1.00 0.65 C ATOM 1590 CG ASP A 102 -5.241 -17.133 4.648 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -4.202 -17.512 5.228 1.00 2.34 O ATOM 1592 OD2 ASP A 102 -6.390 -17.423 5.040 1.00 1.38 O ATOM 0 H ASP A 102 -4.502 -13.995 1.955 1.00 0.50 H new ATOM 0 HA ASP A 102 -3.694 -15.154 4.562 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -6.027 -15.730 3.236 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -4.949 -16.923 2.538 1.00 0.65 H new ATOM 1597 N VAL A 103 -1.861 -16.545 3.533 1.00 0.63 N ATOM 1598 CA VAL A 103 -0.642 -17.116 2.968 1.00 0.68 C ATOM 1599 C VAL A 103 -0.902 -18.474 2.324 1.00 0.66 C ATOM 1600 O VAL A 103 -1.507 -19.357 2.931 1.00 0.75 O ATOM 1601 CB VAL A 103 0.449 -17.276 4.043 1.00 0.89 C ATOM 1602 CG1 VAL A 103 1.795 -17.570 3.398 1.00 1.56 C ATOM 1603 CG2 VAL A 103 0.528 -16.031 4.911 1.00 1.60 C ATOM 0 H VAL A 103 -1.995 -16.735 4.526 1.00 0.63 H new ATOM 0 HA VAL A 103 -0.299 -16.420 2.203 1.00 0.68 H new ATOM 0 HB VAL A 103 0.185 -18.120 4.680 1.00 0.89 H new ATOM 0 HG11 VAL A 103 2.554 -17.680 4.173 1.00 1.56 H new ATOM 0 HG12 VAL A 103 1.729 -18.493 2.822 1.00 1.56 H new ATOM 0 HG13 VAL A 103 2.069 -16.748 2.736 1.00 1.56 H new ATOM 0 HG21 VAL A 103 1.304 -16.162 5.665 1.00 1.60 H new ATOM 0 HG22 VAL A 103 0.768 -15.169 4.289 1.00 1.60 H new ATOM 0 HG23 VAL A 103 -0.431 -15.868 5.402 1.00 1.60 H new ATOM 1613 N VAL A 104 -0.432 -18.631 1.089 1.00 0.66 N ATOM 1614 CA VAL A 104 -0.599 -19.880 0.356 1.00 0.73 C ATOM 1615 C VAL A 104 0.716 -20.318 -0.278 1.00 0.83 C ATOM 1616 O VAL A 104 1.495 -19.489 -0.746 1.00 0.84 O ATOM 1617 CB VAL A 104 -1.670 -19.751 -0.744 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -3.031 -19.453 -0.133 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -1.280 -18.675 -1.746 1.00 1.27 C ATOM 0 H VAL A 104 0.069 -17.906 0.575 1.00 0.66 H new ATOM 0 HA VAL A 104 -0.923 -20.631 1.077 1.00 0.73 H new ATOM 0 HB VAL A 104 -1.736 -20.701 -1.274 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -3.774 -19.365 -0.925 1.00 1.44 H new ATOM 0 HG12 VAL A 104 -3.312 -20.262 0.541 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -2.983 -18.517 0.424 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -2.048 -18.598 -2.515 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -1.183 -17.718 -1.233 1.00 1.27 H new ATOM 0 HG23 VAL A 104 -0.328 -18.936 -2.209 1.00 1.27 H new