USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=22 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 97 HIS : no HE2:sc= -0.328 K(o=-0.86,f=-1.9) USER MOD Set 1.2: A 99 TYR OH : rot 83:sc= -0.535 USER MOD Set 2.1: A 51 LYS NZ :NH3+ -147:sc= -0.273 (180deg=-1.24!) USER MOD Set 2.2: A 81 LYS NZ :NH3+ 178:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 : amide:sc= -0.476 K(o=-0.48,f=-4.1) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0911 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -177:sc= -0.143 (180deg=-0.157) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 80:sc= -0.637 USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= -0.472 (180deg=-1.29) USER MOD Single : A 39 ASN : amide:sc= -6.22! C(o=-6.2!,f=-9.2!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 85:sc= 0.469 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= -0.109 (180deg=-1.1) USER MOD Single : A 49 ASN : amide:sc= 0.266 K(o=0.27,f=-2.6!) 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 K(o=0,f=-0.83) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.48) USER MOD Single : A 70 SER OG : rot 180:sc= -0.501 USER MOD Single : A 73 MET CE :methyl -173:sc=-0.00066 (180deg=-0.109) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0033 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.427 K(o=-0.43,f=-3.9!) USER MOD Single : A 84 TYR OH : rot -106:sc= 2.36 USER MOD Single : A 85 THR OG1 : rot 94:sc= 1.07 USER MOD Single : A 90 ASN : amide:sc= -12.9! C(o=-13!,f=-12!) 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 : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= -0.592 X(o=-0.59,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 5 -0.538 21.830 -3.126 1.00 0.76 N ATOM 16 CA ASN A 5 0.140 21.453 -1.893 1.00 0.53 C ATOM 17 C ASN A 5 -0.244 20.025 -1.496 1.00 0.49 C ATOM 18 O ASN A 5 -0.493 19.187 -2.363 1.00 0.60 O ATOM 19 CB ASN A 5 -0.224 22.446 -0.787 1.00 0.52 C ATOM 20 CG ASN A 5 -0.137 23.886 -1.252 1.00 0.63 C ATOM 21 OD1 ASN A 5 0.799 24.267 -1.957 1.00 1.19 O ATOM 22 ND2 ASN A 5 -1.114 24.697 -0.862 1.00 1.41 N ATOM 0 HA ASN A 5 1.219 21.481 -2.046 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -1.236 22.241 -0.437 1.00 0.52 H new ATOM 0 HB3 ASN A 5 0.443 22.300 0.062 1.00 0.52 H new ATOM 0 HD21 ASN A 5 -1.108 25.677 -1.146 1.00 1.41 H new ATOM 0 HD22 ASN A 5 -1.871 24.340 -0.278 1.00 1.41 H new ATOM 29 N LYS A 6 -0.297 19.741 -0.195 1.00 0.45 N ATOM 30 CA LYS A 6 -0.657 18.405 0.270 1.00 0.49 C ATOM 31 C LYS A 6 -2.116 18.360 0.707 1.00 0.49 C ATOM 32 O LYS A 6 -2.522 19.062 1.634 1.00 0.56 O ATOM 33 CB LYS A 6 0.249 17.940 1.420 1.00 0.64 C ATOM 34 CG LYS A 6 1.141 19.022 2.015 1.00 1.28 C ATOM 35 CD LYS A 6 2.288 19.378 1.081 1.00 1.76 C ATOM 36 CE LYS A 6 2.815 20.777 1.351 1.00 2.52 C ATOM 37 NZ LYS A 6 4.224 20.938 0.895 1.00 3.06 N ATOM 0 H LYS A 6 -0.097 20.411 0.548 1.00 0.45 H new ATOM 0 HA LYS A 6 -0.515 17.723 -0.568 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -0.377 17.530 2.213 1.00 0.64 H new ATOM 0 HB3 LYS A 6 0.880 17.128 1.060 1.00 0.64 H new ATOM 0 HG2 LYS A 6 0.547 19.913 2.219 1.00 1.28 H new ATOM 0 HG3 LYS A 6 1.541 18.680 2.970 1.00 1.28 H new ATOM 0 HD2 LYS A 6 3.095 18.655 1.202 1.00 1.76 H new ATOM 0 HD3 LYS A 6 1.951 19.309 0.047 1.00 1.76 H new ATOM 0 HE2 LYS A 6 2.184 21.507 0.844 1.00 2.52 H new ATOM 0 HE3 LYS A 6 2.753 20.989 2.418 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 4.546 21.906 1.097 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 4.831 20.259 1.397 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 4.280 20.761 -0.128 1.00 3.06 H new ATOM 51 N ARG A 7 -2.899 17.523 0.033 1.00 0.50 N ATOM 52 CA ARG A 7 -4.315 17.375 0.343 1.00 0.52 C ATOM 53 C ARG A 7 -4.754 15.922 0.180 1.00 0.47 C ATOM 54 O ARG A 7 -4.570 15.320 -0.882 1.00 0.43 O ATOM 55 CB ARG A 7 -5.154 18.285 -0.557 1.00 0.57 C ATOM 56 CG ARG A 7 -5.350 19.681 0.012 1.00 0.77 C ATOM 57 CD ARG A 7 -4.233 20.618 -0.416 1.00 0.64 C ATOM 58 NE ARG A 7 -4.674 22.009 -0.467 1.00 0.98 N ATOM 59 CZ ARG A 7 -5.491 22.491 -1.398 1.00 1.66 C ATOM 60 NH1 ARG A 7 -5.963 21.692 -2.346 1.00 2.46 N ATOM 61 NH2 ARG A 7 -5.838 23.770 -1.380 1.00 2.11 N ATOM 0 H ARG A 7 -2.574 16.935 -0.734 1.00 0.50 H new ATOM 0 HA ARG A 7 -4.471 17.667 1.381 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -4.674 18.362 -1.532 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -6.129 17.826 -0.718 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -6.308 20.080 -0.321 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -5.387 19.630 1.100 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -3.398 20.528 0.279 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -3.865 20.318 -1.397 1.00 0.64 H new ATOM 0 HE ARG A 7 -4.336 22.647 0.253 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -5.699 20.707 -2.361 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -6.590 22.063 -3.060 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -5.478 24.386 -0.651 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -6.465 24.138 -2.095 1.00 2.11 H new ATOM 75 N ALA A 8 -5.331 15.370 1.251 1.00 0.50 N ATOM 76 CA ALA A 8 -5.800 13.983 1.270 1.00 0.47 C ATOM 77 C ALA A 8 -6.393 13.550 -0.071 1.00 0.44 C ATOM 78 O ALA A 8 -7.248 14.236 -0.629 1.00 0.56 O ATOM 79 CB ALA A 8 -6.833 13.799 2.372 1.00 0.54 C ATOM 0 H ALA A 8 -5.485 15.871 2.126 1.00 0.50 H new ATOM 0 HA ALA A 8 -4.932 13.352 1.463 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -7.177 12.765 2.379 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -6.384 14.039 3.336 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -7.680 14.461 2.191 1.00 0.54 H new ATOM 85 N PRO A 9 -5.947 12.397 -0.604 1.00 0.36 N ATOM 86 CA PRO A 9 -6.435 11.873 -1.868 1.00 0.37 C ATOM 87 C PRO A 9 -7.638 10.957 -1.689 1.00 0.37 C ATOM 88 O PRO A 9 -7.614 10.032 -0.877 1.00 0.40 O ATOM 89 CB PRO A 9 -5.232 11.092 -2.385 1.00 0.39 C ATOM 90 CG PRO A 9 -4.541 10.590 -1.155 1.00 0.51 C ATOM 91 CD PRO A 9 -4.928 11.509 -0.017 1.00 0.41 C ATOM 0 HA PRO A 9 -6.783 12.656 -2.542 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -5.542 10.268 -3.028 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -4.573 11.727 -2.977 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -4.838 9.564 -0.939 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -3.460 10.586 -1.296 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -5.326 10.950 0.829 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -4.070 12.073 0.349 1.00 0.41 H new ATOM 99 N TYR A 10 -8.693 11.223 -2.451 1.00 0.38 N ATOM 100 CA TYR A 10 -9.911 10.425 -2.379 1.00 0.41 C ATOM 101 C TYR A 10 -9.787 9.176 -3.245 1.00 0.38 C ATOM 102 O TYR A 10 -9.503 9.264 -4.441 1.00 0.44 O ATOM 103 CB TYR A 10 -11.118 11.253 -2.825 1.00 0.49 C ATOM 104 CG TYR A 10 -11.022 12.721 -2.467 1.00 1.15 C ATOM 105 CD1 TYR A 10 -11.321 13.164 -1.185 1.00 2.02 C ATOM 106 CD2 TYR A 10 -10.628 13.662 -3.411 1.00 1.90 C ATOM 107 CE1 TYR A 10 -11.232 14.504 -0.855 1.00 2.96 C ATOM 108 CE2 TYR A 10 -10.537 15.003 -3.088 1.00 2.78 C ATOM 109 CZ TYR A 10 -10.840 15.417 -1.808 1.00 3.18 C ATOM 110 OH TYR A 10 -10.751 16.751 -1.483 1.00 4.20 O ATOM 0 H TYR A 10 -8.729 11.986 -3.127 1.00 0.38 H new ATOM 0 HA TYR A 10 -10.057 10.118 -1.343 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -11.231 11.159 -3.905 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -12.018 10.837 -2.373 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -11.628 12.451 -0.434 1.00 2.02 H new ATOM 0 HD2 TYR A 10 -10.389 13.340 -4.414 1.00 1.90 H new ATOM 0 HE1 TYR A 10 -11.469 14.833 0.146 1.00 2.96 H new ATOM 0 HE2 TYR A 10 -10.231 15.722 -3.833 1.00 2.78 H new ATOM 0 HH TYR A 10 -10.460 17.260 -2.268 1.00 4.20 H new ATOM 120 N TRP A 11 -9.996 8.015 -2.633 1.00 0.47 N ATOM 121 CA TRP A 11 -9.902 6.743 -3.343 1.00 0.49 C ATOM 122 C TRP A 11 -10.648 6.793 -4.675 1.00 0.42 C ATOM 123 O TRP A 11 -11.791 7.242 -4.744 1.00 0.45 O ATOM 124 CB TRP A 11 -10.457 5.607 -2.480 1.00 0.60 C ATOM 125 CG TRP A 11 -11.687 5.983 -1.706 1.00 0.83 C ATOM 126 CD1 TRP A 11 -12.493 7.064 -1.913 1.00 1.71 C ATOM 127 CD2 TRP A 11 -12.249 5.268 -0.600 1.00 1.65 C ATOM 128 NE1 TRP A 11 -13.520 7.068 -1.000 1.00 2.26 N ATOM 129 CE2 TRP A 11 -13.392 5.976 -0.184 1.00 2.17 C ATOM 130 CE3 TRP A 11 -11.897 4.099 0.080 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -14.185 5.551 0.882 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -12.682 3.679 1.137 1.00 3.54 C ATOM 133 CH2 TRP A 11 -13.815 4.403 1.528 1.00 3.60 C ATOM 0 H TRP A 11 -10.232 7.928 -1.645 1.00 0.47 H new ATOM 0 HA TRP A 11 -8.848 6.556 -3.548 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -10.688 4.755 -3.120 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -9.685 5.282 -1.783 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -12.346 7.808 -2.682 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -14.257 7.770 -0.940 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -11.026 3.533 -0.216 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -15.059 6.108 1.186 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -12.417 2.778 1.670 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -14.409 4.048 2.357 1.00 3.60 H new ATOM 144 N THR A 12 -9.988 6.326 -5.730 1.00 0.45 N ATOM 145 CA THR A 12 -10.582 6.315 -7.062 1.00 0.50 C ATOM 146 C THR A 12 -11.182 4.950 -7.378 1.00 0.55 C ATOM 147 O THR A 12 -12.391 4.817 -7.565 1.00 0.64 O ATOM 148 CB THR A 12 -9.544 6.672 -8.143 1.00 0.61 C ATOM 149 OG1 THR A 12 -8.670 7.701 -7.664 1.00 1.28 O ATOM 150 CG2 THR A 12 -10.231 7.134 -9.418 1.00 1.23 C ATOM 0 H THR A 12 -9.041 5.950 -5.688 1.00 0.45 H new ATOM 0 HA THR A 12 -11.370 7.068 -7.067 1.00 0.50 H new ATOM 0 HB THR A 12 -8.961 5.778 -8.366 1.00 0.61 H new ATOM 0 HG1 THR A 12 -8.012 7.920 -8.357 1.00 1.28 H new ATOM 0 HG21 THR A 12 -9.479 7.381 -10.168 1.00 1.23 H new ATOM 0 HG22 THR A 12 -10.872 6.337 -9.795 1.00 1.23 H new ATOM 0 HG23 THR A 12 -10.836 8.016 -9.206 1.00 1.23 H new ATOM 158 N ASN A 13 -10.325 3.936 -7.439 1.00 0.56 N ATOM 159 CA ASN A 13 -10.765 2.577 -7.733 1.00 0.66 C ATOM 160 C ASN A 13 -11.013 1.795 -6.448 1.00 0.63 C ATOM 161 O ASN A 13 -10.190 1.809 -5.532 1.00 0.58 O ATOM 162 CB ASN A 13 -9.717 1.857 -8.585 1.00 0.73 C ATOM 163 CG ASN A 13 -9.194 2.722 -9.714 1.00 1.35 C ATOM 164 OD1 ASN A 13 -8.496 3.710 -9.483 1.00 2.05 O ATOM 165 ND2 ASN A 13 -9.530 2.355 -10.947 1.00 1.96 N ATOM 0 H ASN A 13 -9.321 4.030 -7.289 1.00 0.56 H new ATOM 0 HA ASN A 13 -11.702 2.636 -8.288 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -8.885 1.551 -7.950 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -10.153 0.948 -9.000 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -9.207 2.899 -11.747 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -10.110 1.529 -11.093 1.00 1.96 H new ATOM 172 N THR A 14 -12.149 1.107 -6.388 1.00 0.74 N ATOM 173 CA THR A 14 -12.499 0.316 -5.214 1.00 0.78 C ATOM 174 C THR A 14 -11.523 -0.839 -5.033 1.00 0.76 C ATOM 175 O THR A 14 -11.263 -1.598 -5.968 1.00 0.78 O ATOM 176 CB THR A 14 -13.929 -0.247 -5.320 1.00 0.92 C ATOM 177 OG1 THR A 14 -14.283 -0.432 -6.696 1.00 1.06 O ATOM 178 CG2 THR A 14 -14.926 0.685 -4.652 1.00 1.15 C ATOM 0 H THR A 14 -12.841 1.081 -7.137 1.00 0.74 H new ATOM 0 HA THR A 14 -12.445 0.980 -4.351 1.00 0.78 H new ATOM 0 HB THR A 14 -13.957 -1.209 -4.808 1.00 0.92 H new ATOM 0 HG1 THR A 14 -15.193 -0.792 -6.754 1.00 1.06 H new ATOM 0 HG21 THR A 14 -15.929 0.268 -4.739 1.00 1.15 H new ATOM 0 HG22 THR A 14 -14.670 0.797 -3.598 1.00 1.15 H new ATOM 0 HG23 THR A 14 -14.895 1.660 -5.139 1.00 1.15 H new ATOM 186 N GLU A 15 -10.996 -0.984 -3.823 1.00 0.76 N ATOM 187 CA GLU A 15 -10.061 -2.060 -3.529 1.00 0.77 C ATOM 188 C GLU A 15 -10.791 -3.394 -3.388 1.00 0.82 C ATOM 189 O GLU A 15 -10.172 -4.455 -3.442 1.00 0.82 O ATOM 190 CB GLU A 15 -9.281 -1.752 -2.248 1.00 0.79 C ATOM 191 CG GLU A 15 -8.968 -0.274 -2.067 1.00 1.35 C ATOM 192 CD GLU A 15 -9.736 0.348 -0.917 1.00 1.75 C ATOM 193 OE1 GLU A 15 -10.177 -0.402 -0.023 1.00 2.50 O ATOM 194 OE2 GLU A 15 -9.897 1.586 -0.913 1.00 2.06 O ATOM 0 H GLU A 15 -11.200 -0.372 -3.033 1.00 0.76 H new ATOM 0 HA GLU A 15 -9.361 -2.137 -4.361 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -9.855 -2.101 -1.390 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -8.347 -2.314 -2.257 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -7.899 -0.151 -1.894 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -9.205 0.259 -2.988 1.00 1.35 H new ATOM 201 N LYS A 16 -12.114 -3.337 -3.247 1.00 0.88 N ATOM 202 CA LYS A 16 -12.911 -4.551 -3.138 1.00 0.95 C ATOM 203 C LYS A 16 -12.867 -5.324 -4.451 1.00 0.98 C ATOM 204 O LYS A 16 -13.120 -6.529 -4.482 1.00 1.01 O ATOM 205 CB LYS A 16 -14.356 -4.214 -2.767 1.00 1.04 C ATOM 206 CG LYS A 16 -15.077 -5.343 -2.047 1.00 1.44 C ATOM 207 CD LYS A 16 -16.539 -5.000 -1.797 1.00 1.61 C ATOM 208 CE LYS A 16 -16.684 -3.902 -0.757 1.00 2.37 C ATOM 209 NZ LYS A 16 -17.181 -4.431 0.544 1.00 2.83 N ATOM 0 H LYS A 16 -12.650 -2.470 -3.206 1.00 0.88 H new ATOM 0 HA LYS A 16 -12.491 -5.174 -2.348 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -14.363 -3.327 -2.133 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -14.906 -3.962 -3.674 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -15.012 -6.255 -2.641 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -14.582 -5.545 -1.097 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -17.004 -4.682 -2.730 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -17.071 -5.891 -1.463 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -15.721 -3.415 -0.607 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -17.372 -3.141 -1.126 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -17.266 -3.651 1.226 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -18.112 -4.873 0.406 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -16.512 -5.139 0.909 1.00 2.83 H new ATOM 223 N MET A 17 -12.516 -4.630 -5.532 1.00 0.98 N ATOM 224 CA MET A 17 -12.405 -5.255 -6.837 1.00 1.04 C ATOM 225 C MET A 17 -10.961 -5.178 -7.327 1.00 1.03 C ATOM 226 O MET A 17 -10.694 -5.270 -8.524 1.00 1.17 O ATOM 227 CB MET A 17 -13.340 -4.576 -7.840 1.00 1.21 C ATOM 228 CG MET A 17 -14.798 -4.588 -7.415 1.00 1.44 C ATOM 229 SD MET A 17 -15.930 -4.693 -8.816 1.00 1.83 S ATOM 230 CE MET A 17 -17.490 -4.306 -8.024 1.00 2.16 C ATOM 0 H MET A 17 -12.304 -3.632 -5.524 1.00 0.98 H new ATOM 0 HA MET A 17 -12.697 -6.301 -6.750 1.00 1.04 H new ATOM 0 HB2 MET A 17 -13.020 -3.544 -7.982 1.00 1.21 H new ATOM 0 HB3 MET A 17 -13.247 -5.074 -8.805 1.00 1.21 H new ATOM 0 HG2 MET A 17 -14.971 -5.433 -6.749 1.00 1.44 H new ATOM 0 HG3 MET A 17 -15.014 -3.684 -6.846 1.00 1.44 H new ATOM 0 HE1 MET A 17 -18.290 -4.331 -8.764 1.00 2.16 H new ATOM 0 HE2 MET A 17 -17.694 -5.040 -7.244 1.00 2.16 H new ATOM 0 HE3 MET A 17 -17.437 -3.311 -7.582 1.00 2.16 H new ATOM 240 N GLU A 18 -10.034 -5.005 -6.382 1.00 0.95 N ATOM 241 CA GLU A 18 -8.620 -4.910 -6.704 1.00 1.06 C ATOM 242 C GLU A 18 -7.833 -6.027 -6.025 1.00 0.96 C ATOM 243 O GLU A 18 -7.321 -6.923 -6.695 1.00 1.57 O ATOM 244 CB GLU A 18 -8.067 -3.550 -6.276 1.00 1.43 C ATOM 245 CG GLU A 18 -6.961 -3.031 -7.182 1.00 1.29 C ATOM 246 CD GLU A 18 -7.352 -3.049 -8.646 1.00 2.13 C ATOM 247 OE1 GLU A 18 -7.169 -4.097 -9.299 1.00 2.88 O ATOM 248 OE2 GLU A 18 -7.842 -2.011 -9.142 1.00 2.56 O ATOM 0 H GLU A 18 -10.244 -4.928 -5.387 1.00 0.95 H new ATOM 0 HA GLU A 18 -8.511 -5.015 -7.783 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -8.881 -2.825 -6.258 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -7.686 -3.626 -5.258 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -6.705 -2.012 -6.890 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -6.066 -3.637 -7.041 1.00 1.29 H new ATOM 255 N LYS A 19 -7.728 -5.973 -4.696 1.00 0.84 N ATOM 256 CA LYS A 19 -6.982 -6.998 -3.977 1.00 1.08 C ATOM 257 C LYS A 19 -7.121 -6.906 -2.452 1.00 0.87 C ATOM 258 O LYS A 19 -6.117 -6.766 -1.755 1.00 0.87 O ATOM 259 CB LYS A 19 -5.499 -6.908 -4.356 1.00 1.66 C ATOM 260 CG LYS A 19 -4.856 -8.256 -4.632 1.00 2.57 C ATOM 261 CD LYS A 19 -4.459 -8.956 -3.342 1.00 2.87 C ATOM 262 CE LYS A 19 -3.157 -9.722 -3.500 1.00 3.55 C ATOM 263 NZ LYS A 19 -2.135 -9.294 -2.504 1.00 4.14 N ATOM 0 H LYS A 19 -8.141 -5.247 -4.110 1.00 0.84 H new ATOM 0 HA LYS A 19 -7.407 -7.957 -4.273 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -5.397 -6.279 -5.240 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -4.956 -6.415 -3.549 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -5.550 -8.884 -5.190 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -3.975 -8.119 -5.259 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -4.354 -8.220 -2.545 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -5.251 -9.642 -3.041 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -3.348 -10.789 -3.388 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -2.768 -9.572 -4.507 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -1.246 -9.804 -2.678 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -1.971 -8.271 -2.593 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -2.474 -9.508 -1.544 1.00 4.14 H new ATOM 277 N ARG A 20 -8.339 -7.032 -1.911 1.00 0.98 N ATOM 278 CA ARG A 20 -8.474 -7.001 -0.456 1.00 0.92 C ATOM 279 C ARG A 20 -8.468 -8.405 0.105 1.00 0.94 C ATOM 280 O ARG A 20 -7.510 -8.794 0.756 1.00 1.30 O ATOM 281 CB ARG A 20 -9.721 -6.281 0.060 1.00 0.95 C ATOM 282 CG ARG A 20 -10.404 -5.385 -0.947 1.00 1.64 C ATOM 283 CD ARG A 20 -11.488 -4.549 -0.283 1.00 2.15 C ATOM 284 NE ARG A 20 -11.030 -3.951 0.968 1.00 2.67 N ATOM 285 CZ ARG A 20 -11.847 -3.551 1.937 1.00 3.29 C ATOM 286 NH1 ARG A 20 -13.159 -3.672 1.795 1.00 3.51 N ATOM 287 NH2 ARG A 20 -11.352 -3.024 3.047 1.00 4.11 N ATOM 0 H ARG A 20 -9.207 -7.151 -2.433 1.00 0.98 H new ATOM 0 HA ARG A 20 -7.613 -6.427 -0.112 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -10.437 -7.028 0.404 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -9.443 -5.682 0.927 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -9.669 -4.730 -1.414 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -10.841 -5.991 -1.741 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -11.807 -3.761 -0.966 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -12.359 -5.174 -0.088 1.00 2.15 H new ATOM 0 HE ARG A 20 -10.026 -3.834 1.106 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -13.545 -4.073 0.940 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -13.783 -3.364 2.541 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -10.343 -2.925 3.159 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -11.980 -2.717 3.790 1.00 4.11 H new ATOM 348 N VAL A 24 -2.065 -14.617 -1.242 1.00 0.78 N ATOM 349 CA VAL A 24 -0.732 -14.270 -1.719 1.00 0.74 C ATOM 350 C VAL A 24 0.209 -15.470 -1.645 1.00 0.68 C ATOM 351 O VAL A 24 0.359 -16.084 -0.588 1.00 0.77 O ATOM 352 CB VAL A 24 -0.132 -13.112 -0.899 1.00 0.81 C ATOM 353 CG1 VAL A 24 1.071 -12.516 -1.616 1.00 1.32 C ATOM 354 CG2 VAL A 24 -1.185 -12.047 -0.632 1.00 1.30 C ATOM 0 HA VAL A 24 -0.837 -13.958 -2.758 1.00 0.74 H new ATOM 0 HB VAL A 24 0.205 -13.506 0.060 1.00 0.81 H new ATOM 0 HG11 VAL A 24 1.481 -11.700 -1.022 1.00 1.32 H new ATOM 0 HG12 VAL A 24 1.832 -13.285 -1.751 1.00 1.32 H new ATOM 0 HG13 VAL A 24 0.763 -12.136 -2.590 1.00 1.32 H new ATOM 0 HG21 VAL A 24 -0.744 -11.237 -0.052 1.00 1.30 H new ATOM 0 HG22 VAL A 24 -1.555 -11.655 -1.580 1.00 1.30 H new ATOM 0 HG23 VAL A 24 -2.012 -12.485 -0.073 1.00 1.30 H new ATOM 364 N PRO A 25 0.864 -15.824 -2.768 1.00 0.61 N ATOM 365 CA PRO A 25 1.792 -16.958 -2.813 1.00 0.63 C ATOM 366 C PRO A 25 3.072 -16.691 -2.029 1.00 0.57 C ATOM 367 O PRO A 25 3.600 -15.581 -2.045 1.00 0.52 O ATOM 368 CB PRO A 25 2.104 -17.102 -4.304 1.00 0.72 C ATOM 369 CG PRO A 25 1.884 -15.742 -4.866 1.00 0.71 C ATOM 370 CD PRO A 25 0.752 -15.151 -4.077 1.00 0.65 C ATOM 0 HA PRO A 25 1.362 -17.853 -2.363 1.00 0.63 H new ATOM 0 HB2 PRO A 25 3.129 -17.436 -4.464 1.00 0.72 H new ATOM 0 HB3 PRO A 25 1.452 -17.837 -4.776 1.00 0.72 H new ATOM 0 HG2 PRO A 25 2.783 -15.132 -4.777 1.00 0.71 H new ATOM 0 HG3 PRO A 25 1.637 -15.792 -5.926 1.00 0.71 H new ATOM 0 HD2 PRO A 25 0.849 -14.069 -3.983 1.00 0.65 H new ATOM 0 HD3 PRO A 25 -0.211 -15.345 -4.548 1.00 0.65 H new ATOM 378 N ALA A 26 3.566 -17.717 -1.347 1.00 0.61 N ATOM 379 CA ALA A 26 4.786 -17.591 -0.560 1.00 0.60 C ATOM 380 C ALA A 26 6.011 -17.490 -1.464 1.00 0.54 C ATOM 381 O ALA A 26 6.093 -18.161 -2.492 1.00 0.58 O ATOM 382 CB ALA A 26 4.923 -18.770 0.391 1.00 0.71 C ATOM 0 H ALA A 26 3.141 -18.644 -1.323 1.00 0.61 H new ATOM 0 HA ALA A 26 4.722 -16.674 0.025 1.00 0.60 H new ATOM 0 HB1 ALA A 26 5.838 -18.664 0.973 1.00 0.71 H new ATOM 0 HB2 ALA A 26 4.066 -18.796 1.064 1.00 0.71 H new ATOM 0 HB3 ALA A 26 4.963 -19.697 -0.182 1.00 0.71 H new ATOM 388 N ALA A 27 6.963 -16.650 -1.071 1.00 0.50 N ATOM 389 CA ALA A 27 8.188 -16.462 -1.843 1.00 0.48 C ATOM 390 C ALA A 27 7.925 -15.687 -3.133 1.00 0.43 C ATOM 391 O ALA A 27 8.728 -15.732 -4.064 1.00 0.46 O ATOM 392 CB ALA A 27 8.826 -17.808 -2.155 1.00 0.55 C ATOM 0 H ALA A 27 6.910 -16.088 -0.222 1.00 0.50 H new ATOM 0 HA ALA A 27 8.877 -15.873 -1.237 1.00 0.48 H new ATOM 0 HB1 ALA A 27 9.738 -17.653 -2.731 1.00 0.55 H new ATOM 0 HB2 ALA A 27 9.067 -18.321 -1.224 1.00 0.55 H new ATOM 0 HB3 ALA A 27 8.130 -18.415 -2.734 1.00 0.55 H new ATOM 398 N ASN A 28 6.804 -14.975 -3.184 1.00 0.39 N ATOM 399 CA ASN A 28 6.451 -14.194 -4.365 1.00 0.36 C ATOM 400 C ASN A 28 6.289 -12.719 -4.014 1.00 0.30 C ATOM 401 O ASN A 28 6.214 -12.354 -2.840 1.00 0.29 O ATOM 402 CB ASN A 28 5.161 -14.728 -4.990 1.00 0.40 C ATOM 403 CG ASN A 28 5.397 -15.363 -6.347 1.00 0.77 C ATOM 404 OD1 ASN A 28 5.639 -16.566 -6.449 1.00 1.42 O ATOM 405 ND2 ASN A 28 5.331 -14.555 -7.399 1.00 1.36 N ATOM 0 H ASN A 28 6.126 -14.922 -2.424 1.00 0.39 H new ATOM 0 HA ASN A 28 7.261 -14.289 -5.088 1.00 0.36 H new ATOM 0 HB2 ASN A 28 4.713 -15.463 -4.321 1.00 0.40 H new ATOM 0 HB3 ASN A 28 4.445 -13.912 -5.093 1.00 0.40 H new ATOM 0 HD21 ASN A 28 5.484 -14.926 -8.337 1.00 1.36 H new ATOM 0 HD22 ASN A 28 5.128 -13.564 -7.269 1.00 1.36 H new ATOM 412 N THR A 29 6.233 -11.872 -5.039 1.00 0.30 N ATOM 413 CA THR A 29 6.077 -10.435 -4.836 1.00 0.28 C ATOM 414 C THR A 29 4.616 -10.075 -4.586 1.00 0.30 C ATOM 415 O THR A 29 3.719 -10.577 -5.263 1.00 0.33 O ATOM 416 CB THR A 29 6.602 -9.630 -6.040 1.00 0.32 C ATOM 417 OG1 THR A 29 6.155 -8.272 -5.957 1.00 0.96 O ATOM 418 CG2 THR A 29 6.136 -10.243 -7.353 1.00 0.92 C ATOM 0 H THR A 29 6.293 -12.156 -6.017 1.00 0.30 H new ATOM 0 HA THR A 29 6.668 -10.173 -3.959 1.00 0.28 H new ATOM 0 HB THR A 29 7.691 -9.656 -6.014 1.00 0.32 H new ATOM 0 HG1 THR A 29 6.723 -7.779 -5.329 1.00 0.96 H new ATOM 0 HG21 THR A 29 6.521 -9.655 -8.186 1.00 0.92 H new ATOM 0 HG22 THR A 29 6.506 -11.265 -7.429 1.00 0.92 H new ATOM 0 HG23 THR A 29 5.047 -10.248 -7.386 1.00 0.92 H new ATOM 426 N VAL A 30 4.384 -9.215 -3.599 1.00 0.33 N ATOM 427 CA VAL A 30 3.030 -8.803 -3.245 1.00 0.39 C ATOM 428 C VAL A 30 2.624 -7.502 -3.931 1.00 0.35 C ATOM 429 O VAL A 30 3.227 -6.453 -3.708 1.00 0.35 O ATOM 430 CB VAL A 30 2.886 -8.621 -1.723 1.00 0.47 C ATOM 431 CG1 VAL A 30 1.425 -8.434 -1.342 1.00 0.56 C ATOM 432 CG2 VAL A 30 3.491 -9.804 -0.981 1.00 0.57 C ATOM 0 H VAL A 30 5.116 -8.790 -3.030 1.00 0.33 H new ATOM 0 HA VAL A 30 2.371 -9.601 -3.588 1.00 0.39 H new ATOM 0 HB VAL A 30 3.431 -7.723 -1.432 1.00 0.47 H new ATOM 0 HG11 VAL A 30 1.344 -8.307 -0.262 1.00 0.56 H new ATOM 0 HG12 VAL A 30 1.029 -7.550 -1.842 1.00 0.56 H new ATOM 0 HG13 VAL A 30 0.854 -9.311 -1.648 1.00 0.56 H new ATOM 0 HG21 VAL A 30 3.379 -9.656 0.093 1.00 0.57 H new ATOM 0 HG22 VAL A 30 2.978 -10.719 -1.276 1.00 0.57 H new ATOM 0 HG23 VAL A 30 4.550 -9.885 -1.227 1.00 0.57 H new ATOM 442 N LYS A 31 1.582 -7.582 -4.753 1.00 0.34 N ATOM 443 CA LYS A 31 1.073 -6.409 -5.459 1.00 0.33 C ATOM 444 C LYS A 31 0.024 -5.698 -4.610 1.00 0.33 C ATOM 445 O LYS A 31 -1.011 -6.276 -4.278 1.00 0.38 O ATOM 446 CB LYS A 31 0.465 -6.805 -6.807 1.00 0.38 C ATOM 447 CG LYS A 31 -0.255 -5.664 -7.515 1.00 0.60 C ATOM 448 CD LYS A 31 -1.770 -5.809 -7.430 1.00 0.82 C ATOM 449 CE LYS A 31 -2.238 -7.161 -7.952 1.00 1.34 C ATOM 450 NZ LYS A 31 -1.395 -7.646 -9.081 1.00 1.98 N ATOM 0 H LYS A 31 1.074 -8.445 -4.947 1.00 0.34 H new ATOM 0 HA LYS A 31 1.909 -5.733 -5.640 1.00 0.33 H new ATOM 0 HB2 LYS A 31 1.256 -7.181 -7.456 1.00 0.38 H new ATOM 0 HB3 LYS A 31 -0.237 -7.625 -6.652 1.00 0.38 H new ATOM 0 HG2 LYS A 31 0.044 -4.715 -7.071 1.00 0.60 H new ATOM 0 HG3 LYS A 31 0.049 -5.636 -8.561 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -2.089 -5.689 -6.395 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -2.244 -5.013 -8.005 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -2.214 -7.890 -7.142 1.00 1.34 H new ATOM 0 HE3 LYS A 31 -3.274 -7.084 -8.281 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 -1.930 -8.341 -9.640 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 -1.131 -6.843 -9.687 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 -0.535 -8.093 -8.705 1.00 1.98 H new ATOM 464 N PHE A 32 0.292 -4.446 -4.260 1.00 0.31 N ATOM 465 CA PHE A 32 -0.643 -3.678 -3.451 1.00 0.35 C ATOM 466 C PHE A 32 -1.173 -2.477 -4.224 1.00 0.32 C ATOM 467 O PHE A 32 -0.412 -1.608 -4.647 1.00 0.32 O ATOM 468 CB PHE A 32 0.031 -3.213 -2.158 1.00 0.44 C ATOM 469 CG PHE A 32 0.079 -4.274 -1.093 1.00 0.90 C ATOM 470 CD1 PHE A 32 -1.057 -4.999 -0.768 1.00 1.64 C ATOM 471 CD2 PHE A 32 1.259 -4.546 -0.420 1.00 1.21 C ATOM 472 CE1 PHE A 32 -1.015 -5.976 0.209 1.00 2.28 C ATOM 473 CE2 PHE A 32 1.307 -5.521 0.556 1.00 1.91 C ATOM 474 CZ PHE A 32 0.169 -6.237 0.873 1.00 2.35 C ATOM 0 H PHE A 32 1.141 -3.945 -4.521 1.00 0.31 H new ATOM 0 HA PHE A 32 -1.484 -4.324 -3.201 1.00 0.35 H new ATOM 0 HB2 PHE A 32 1.047 -2.889 -2.383 1.00 0.44 H new ATOM 0 HB3 PHE A 32 -0.502 -2.345 -1.771 1.00 0.44 H new ATOM 0 HD1 PHE A 32 -1.985 -4.798 -1.284 1.00 1.64 H new ATOM 0 HD2 PHE A 32 2.152 -3.989 -0.662 1.00 1.21 H new ATOM 0 HE1 PHE A 32 -1.906 -6.535 0.453 1.00 2.28 H new ATOM 0 HE2 PHE A 32 2.234 -5.724 1.072 1.00 1.91 H new ATOM 0 HZ PHE A 32 0.204 -6.999 1.638 1.00 2.35 H new ATOM 484 N ARG A 33 -2.488 -2.442 -4.406 1.00 0.36 N ATOM 485 CA ARG A 33 -3.131 -1.357 -5.134 1.00 0.39 C ATOM 486 C ARG A 33 -3.848 -0.409 -4.178 1.00 0.40 C ATOM 487 O ARG A 33 -4.618 -0.844 -3.322 1.00 0.43 O ATOM 488 CB ARG A 33 -4.120 -1.930 -6.154 1.00 0.47 C ATOM 489 CG ARG A 33 -3.598 -1.906 -7.583 1.00 0.80 C ATOM 490 CD ARG A 33 -2.201 -2.498 -7.677 1.00 0.53 C ATOM 491 NE ARG A 33 -1.871 -2.906 -9.040 1.00 1.09 N ATOM 492 CZ ARG A 33 -0.634 -3.166 -9.454 1.00 1.56 C ATOM 493 NH1 ARG A 33 0.385 -3.068 -8.609 1.00 2.10 N ATOM 494 NH2 ARG A 33 -0.416 -3.526 -10.711 1.00 2.12 N ATOM 0 H ARG A 33 -3.130 -3.154 -4.058 1.00 0.36 H new ATOM 0 HA ARG A 33 -2.363 -0.790 -5.659 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -4.359 -2.958 -5.880 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -5.050 -1.363 -6.105 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -4.275 -2.466 -8.228 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -3.584 -0.879 -7.949 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -1.472 -1.765 -7.331 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -2.126 -3.359 -7.013 1.00 0.53 H new ATOM 0 HE ARG A 33 -2.632 -2.997 -9.713 1.00 1.09 H new ATOM 0 HH11 ARG A 33 0.220 -2.793 -7.641 1.00 2.10 H new ATOM 0 HH12 ARG A 33 1.333 -3.268 -8.928 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -1.197 -3.604 -11.362 1.00 2.12 H new ATOM 0 HH22 ARG A 33 0.533 -3.725 -11.027 1.00 2.12 H new ATOM 508 N CYS A 34 -3.585 0.888 -4.323 1.00 0.39 N ATOM 509 CA CYS A 34 -4.203 1.894 -3.466 1.00 0.41 C ATOM 510 C CYS A 34 -4.348 3.223 -4.205 1.00 0.41 C ATOM 511 O CYS A 34 -3.694 4.208 -3.861 1.00 0.47 O ATOM 512 CB CYS A 34 -3.371 2.093 -2.195 1.00 0.44 C ATOM 513 SG CYS A 34 -4.060 1.277 -0.718 1.00 0.94 S ATOM 0 H CYS A 34 -2.949 1.265 -5.025 1.00 0.39 H new ATOM 0 HA CYS A 34 -5.197 1.540 -3.191 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -2.364 1.714 -2.370 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -3.279 3.161 -1.997 1.00 0.44 H new ATOM 518 N PRO A 35 -5.209 3.268 -5.236 1.00 0.41 N ATOM 519 CA PRO A 35 -5.432 4.484 -6.025 1.00 0.44 C ATOM 520 C PRO A 35 -6.315 5.498 -5.301 1.00 0.34 C ATOM 521 O PRO A 35 -7.346 5.144 -4.729 1.00 0.34 O ATOM 522 CB PRO A 35 -6.135 3.959 -7.275 1.00 0.57 C ATOM 523 CG PRO A 35 -6.863 2.742 -6.816 1.00 0.54 C ATOM 524 CD PRO A 35 -6.028 2.138 -5.718 1.00 0.44 C ATOM 0 HA PRO A 35 -4.503 5.017 -6.228 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -6.821 4.700 -7.684 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -5.419 3.719 -8.061 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -7.858 2.998 -6.451 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -6.996 2.036 -7.636 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -6.650 1.727 -4.923 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -5.406 1.324 -6.090 1.00 0.44 H new ATOM 532 N ALA A 36 -5.903 6.762 -5.332 1.00 0.35 N ATOM 533 CA ALA A 36 -6.653 7.830 -4.683 1.00 0.33 C ATOM 534 C ALA A 36 -6.352 9.180 -5.325 1.00 0.32 C ATOM 535 O ALA A 36 -5.204 9.625 -5.348 1.00 0.38 O ATOM 536 CB ALA A 36 -6.337 7.870 -3.195 1.00 0.40 C ATOM 0 H ALA A 36 -5.052 7.071 -5.801 1.00 0.35 H new ATOM 0 HA ALA A 36 -7.715 7.623 -4.812 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -6.905 8.673 -2.724 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -6.609 6.918 -2.740 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -5.271 8.048 -3.054 1.00 0.40 H new ATOM 542 N GLY A 37 -7.388 9.827 -5.849 1.00 0.33 N ATOM 543 CA GLY A 37 -7.213 11.119 -6.486 1.00 0.36 C ATOM 544 C GLY A 37 -7.183 12.262 -5.490 1.00 0.35 C ATOM 545 O GLY A 37 -8.062 12.370 -4.634 1.00 0.37 O ATOM 0 H GLY A 37 -8.347 9.479 -5.844 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -6.285 11.115 -7.057 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -8.024 11.282 -7.196 1.00 0.36 H new ATOM 549 N GLY A 38 -6.171 13.114 -5.602 1.00 0.36 N ATOM 550 CA GLY A 38 -6.048 14.245 -4.701 1.00 0.39 C ATOM 551 C GLY A 38 -4.965 15.209 -5.134 1.00 0.37 C ATOM 552 O GLY A 38 -4.791 15.458 -6.326 1.00 0.42 O ATOM 0 H GLY A 38 -5.432 13.042 -6.302 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -7.001 14.772 -4.650 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -5.829 13.884 -3.696 1.00 0.39 H new ATOM 556 N ASN A 39 -4.233 15.752 -4.167 1.00 0.40 N ATOM 557 CA ASN A 39 -3.163 16.690 -4.472 1.00 0.47 C ATOM 558 C ASN A 39 -1.900 15.950 -4.904 1.00 0.36 C ATOM 559 O ASN A 39 -1.823 14.726 -4.804 1.00 0.34 O ATOM 560 CB ASN A 39 -2.874 17.582 -3.266 1.00 0.70 C ATOM 561 CG ASN A 39 -3.344 19.008 -3.486 1.00 2.04 C ATOM 562 OD1 ASN A 39 -2.642 19.964 -3.158 1.00 2.41 O ATOM 563 ND2 ASN A 39 -4.538 19.155 -4.048 1.00 2.89 N ATOM 0 H ASN A 39 -4.361 15.560 -3.173 1.00 0.40 H new ATOM 0 HA ASN A 39 -3.488 17.320 -5.300 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -3.366 17.170 -2.385 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -1.803 17.581 -3.063 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -4.907 20.089 -4.224 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -5.086 18.334 -4.304 1.00 2.89 H new ATOM 570 N PRO A 40 -0.894 16.684 -5.408 1.00 0.39 N ATOM 571 CA PRO A 40 0.364 16.093 -5.875 1.00 0.39 C ATOM 572 C PRO A 40 1.301 15.686 -4.737 1.00 0.34 C ATOM 573 O PRO A 40 2.422 15.238 -4.985 1.00 0.40 O ATOM 574 CB PRO A 40 0.986 17.217 -6.701 1.00 0.51 C ATOM 575 CG PRO A 40 0.473 18.468 -6.081 1.00 0.52 C ATOM 576 CD PRO A 40 -0.910 18.151 -5.579 1.00 0.53 C ATOM 0 HA PRO A 40 0.193 15.169 -6.427 1.00 0.39 H new ATOM 0 HB2 PRO A 40 2.075 17.176 -6.669 1.00 0.51 H new ATOM 0 HB3 PRO A 40 0.695 17.146 -7.749 1.00 0.51 H new ATOM 0 HG2 PRO A 40 1.119 18.791 -5.265 1.00 0.52 H new ATOM 0 HG3 PRO A 40 0.447 19.280 -6.807 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -1.121 18.661 -4.639 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -1.675 18.463 -6.290 1.00 0.53 H new ATOM 584 N MET A 41 0.849 15.838 -3.494 1.00 0.31 N ATOM 585 CA MET A 41 1.671 15.475 -2.342 1.00 0.33 C ATOM 586 C MET A 41 0.967 14.453 -1.454 1.00 0.32 C ATOM 587 O MET A 41 0.480 14.790 -0.375 1.00 0.36 O ATOM 588 CB MET A 41 2.013 16.719 -1.522 1.00 0.39 C ATOM 589 CG MET A 41 3.265 16.570 -0.675 1.00 0.47 C ATOM 590 SD MET A 41 4.637 17.573 -1.278 1.00 1.30 S ATOM 591 CE MET A 41 5.971 16.979 -0.239 1.00 1.83 C ATOM 0 H MET A 41 -0.073 16.206 -3.260 1.00 0.31 H new ATOM 0 HA MET A 41 2.589 15.025 -2.720 1.00 0.33 H new ATOM 0 HB2 MET A 41 2.141 17.564 -2.198 1.00 0.39 H new ATOM 0 HB3 MET A 41 1.171 16.956 -0.871 1.00 0.39 H new ATOM 0 HG2 MET A 41 3.039 16.852 0.353 1.00 0.47 H new ATOM 0 HG3 MET A 41 3.566 15.522 -0.659 1.00 0.47 H new ATOM 0 HE1 MET A 41 6.891 17.505 -0.492 1.00 1.83 H new ATOM 0 HE2 MET A 41 5.725 17.160 0.807 1.00 1.83 H new ATOM 0 HE3 MET A 41 6.109 15.910 -0.400 1.00 1.83 H new ATOM 601 N PRO A 42 0.904 13.185 -1.893 1.00 0.32 N ATOM 602 CA PRO A 42 0.267 12.115 -1.144 1.00 0.34 C ATOM 603 C PRO A 42 1.266 11.312 -0.319 1.00 0.35 C ATOM 604 O PRO A 42 2.227 10.763 -0.858 1.00 0.43 O ATOM 605 CB PRO A 42 -0.309 11.257 -2.264 1.00 0.40 C ATOM 606 CG PRO A 42 0.648 11.414 -3.409 1.00 0.42 C ATOM 607 CD PRO A 42 1.445 12.680 -3.163 1.00 0.36 C ATOM 0 HA PRO A 42 -0.464 12.476 -0.420 1.00 0.34 H new ATOM 0 HB2 PRO A 42 -0.391 10.214 -1.959 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -1.310 11.588 -2.539 1.00 0.40 H new ATOM 0 HG2 PRO A 42 1.310 10.551 -3.477 1.00 0.42 H new ATOM 0 HG3 PRO A 42 0.109 11.477 -4.354 1.00 0.42 H new ATOM 0 HD2 PRO A 42 2.513 12.474 -3.091 1.00 0.36 H new ATOM 0 HD3 PRO A 42 1.313 13.401 -3.970 1.00 0.36 H new ATOM 615 N THR A 43 1.033 11.233 0.987 1.00 0.32 N ATOM 616 CA THR A 43 1.917 10.481 1.869 1.00 0.35 C ATOM 617 C THR A 43 1.296 9.135 2.217 1.00 0.37 C ATOM 618 O THR A 43 0.282 9.073 2.906 1.00 0.48 O ATOM 619 CB THR A 43 2.215 11.253 3.168 1.00 0.41 C ATOM 620 OG1 THR A 43 2.060 12.661 2.950 1.00 0.94 O ATOM 621 CG2 THR A 43 3.628 10.965 3.657 1.00 1.00 C ATOM 0 H THR A 43 0.244 11.678 1.456 1.00 0.32 H new ATOM 0 HA THR A 43 2.855 10.329 1.335 1.00 0.35 H new ATOM 0 HB THR A 43 1.508 10.923 3.929 1.00 0.41 H new ATOM 0 HG1 THR A 43 1.117 12.906 3.055 1.00 0.94 H new ATOM 0 HG21 THR A 43 3.816 11.521 4.575 1.00 1.00 H new ATOM 0 HG22 THR A 43 3.736 9.898 3.851 1.00 1.00 H new ATOM 0 HG23 THR A 43 4.346 11.270 2.895 1.00 1.00 H new ATOM 629 N MET A 44 1.898 8.057 1.726 1.00 0.35 N ATOM 630 CA MET A 44 1.377 6.720 1.986 1.00 0.41 C ATOM 631 C MET A 44 2.320 5.910 2.869 1.00 0.38 C ATOM 632 O MET A 44 3.514 5.805 2.594 1.00 0.40 O ATOM 633 CB MET A 44 1.121 5.971 0.672 1.00 0.49 C ATOM 634 CG MET A 44 2.004 6.419 -0.484 1.00 0.86 C ATOM 635 SD MET A 44 3.739 5.993 -0.241 1.00 1.82 S ATOM 636 CE MET A 44 4.255 5.689 -1.928 1.00 2.30 C ATOM 0 H MET A 44 2.740 8.082 1.151 1.00 0.35 H new ATOM 0 HA MET A 44 0.433 6.840 2.518 1.00 0.41 H new ATOM 0 HB2 MET A 44 1.274 4.905 0.839 1.00 0.49 H new ATOM 0 HB3 MET A 44 0.077 6.103 0.389 1.00 0.49 H new ATOM 0 HG2 MET A 44 1.648 5.961 -1.407 1.00 0.86 H new ATOM 0 HG3 MET A 44 1.913 7.498 -0.608 1.00 0.86 H new ATOM 0 HE1 MET A 44 5.310 5.414 -1.942 1.00 2.30 H new ATOM 0 HE2 MET A 44 3.662 4.877 -2.349 1.00 2.30 H new ATOM 0 HE3 MET A 44 4.108 6.591 -2.522 1.00 2.30 H new ATOM 646 N ARG A 45 1.763 5.329 3.927 1.00 0.36 N ATOM 647 CA ARG A 45 2.531 4.510 4.853 1.00 0.34 C ATOM 648 C ARG A 45 2.186 3.041 4.650 1.00 0.32 C ATOM 649 O ARG A 45 1.031 2.699 4.382 1.00 0.34 O ATOM 650 CB ARG A 45 2.246 4.928 6.297 1.00 0.37 C ATOM 651 CG ARG A 45 2.823 6.287 6.661 1.00 0.66 C ATOM 652 CD ARG A 45 2.077 6.918 7.824 1.00 0.88 C ATOM 653 NE ARG A 45 2.513 6.382 9.110 1.00 1.57 N ATOM 654 CZ ARG A 45 1.848 6.561 10.246 1.00 2.04 C ATOM 655 NH1 ARG A 45 0.721 7.261 10.252 1.00 2.22 N ATOM 656 NH2 ARG A 45 2.306 6.042 11.376 1.00 2.89 N ATOM 0 H ARG A 45 0.774 5.413 4.164 1.00 0.36 H new ATOM 0 HA ARG A 45 3.593 4.656 4.656 1.00 0.34 H new ATOM 0 HB2 ARG A 45 1.168 4.946 6.455 1.00 0.37 H new ATOM 0 HB3 ARG A 45 2.655 4.176 6.972 1.00 0.37 H new ATOM 0 HG2 ARG A 45 3.876 6.178 6.920 1.00 0.66 H new ATOM 0 HG3 ARG A 45 2.774 6.947 5.795 1.00 0.66 H new ATOM 0 HD2 ARG A 45 2.231 7.997 7.810 1.00 0.88 H new ATOM 0 HD3 ARG A 45 1.007 6.747 7.704 1.00 0.88 H new ATOM 0 HE ARG A 45 3.376 5.840 9.138 1.00 1.57 H new ATOM 0 HH11 ARG A 45 0.365 7.662 9.384 1.00 2.22 H new ATOM 0 HH12 ARG A 45 0.211 7.398 11.124 1.00 2.22 H new ATOM 0 HH21 ARG A 45 3.172 5.503 11.376 1.00 2.89 H new ATOM 0 HH22 ARG A 45 1.793 6.182 12.246 1.00 2.89 H new ATOM 670 N TRP A 46 3.185 2.178 4.768 1.00 0.31 N ATOM 671 CA TRP A 46 2.974 0.750 4.579 1.00 0.31 C ATOM 672 C TRP A 46 3.011 0.002 5.904 1.00 0.26 C ATOM 673 O TRP A 46 4.021 0.010 6.611 1.00 0.29 O ATOM 674 CB TRP A 46 4.026 0.183 3.626 1.00 0.39 C ATOM 675 CG TRP A 46 4.173 0.985 2.371 1.00 0.70 C ATOM 676 CD1 TRP A 46 3.188 1.668 1.717 1.00 1.52 C ATOM 677 CD2 TRP A 46 5.372 1.189 1.619 1.00 1.34 C ATOM 678 NE1 TRP A 46 3.704 2.284 0.602 1.00 1.62 N ATOM 679 CE2 TRP A 46 5.043 2.003 0.520 1.00 1.46 C ATOM 680 CE3 TRP A 46 6.694 0.760 1.768 1.00 2.43 C ATOM 681 CZ2 TRP A 46 5.987 2.399 -0.424 1.00 2.14 C ATOM 682 CZ3 TRP A 46 7.630 1.152 0.831 1.00 3.28 C ATOM 683 CH2 TRP A 46 7.273 1.965 -0.252 1.00 3.02 C ATOM 0 H TRP A 46 4.145 2.440 4.993 1.00 0.31 H new ATOM 0 HA TRP A 46 1.984 0.613 4.144 1.00 0.31 H new ATOM 0 HB2 TRP A 46 4.987 0.141 4.138 1.00 0.39 H new ATOM 0 HB3 TRP A 46 3.758 -0.841 3.367 1.00 0.39 H new ATOM 0 HD1 TRP A 46 2.155 1.717 2.030 1.00 1.52 H new ATOM 0 HE1 TRP A 46 3.177 2.857 -0.057 1.00 1.62 H new ATOM 0 HE3 TRP A 46 6.978 0.134 2.601 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 5.714 3.025 -1.261 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 8.654 0.826 0.935 1.00 3.28 H new ATOM 0 HH2 TRP A 46 8.029 2.256 -0.967 1.00 3.02 H new ATOM 694 N LEU A 47 1.902 -0.660 6.222 1.00 0.25 N ATOM 695 CA LEU A 47 1.794 -1.434 7.449 1.00 0.26 C ATOM 696 C LEU A 47 1.283 -2.837 7.139 1.00 0.24 C ATOM 697 O LEU A 47 0.221 -3.004 6.541 1.00 0.31 O ATOM 698 CB LEU A 47 0.862 -0.739 8.446 1.00 0.37 C ATOM 699 CG LEU A 47 1.510 -0.344 9.776 1.00 0.80 C ATOM 700 CD1 LEU A 47 1.005 1.015 10.232 1.00 1.58 C ATOM 701 CD2 LEU A 47 1.234 -1.400 10.835 1.00 1.53 C ATOM 0 H LEU A 47 1.063 -0.674 5.642 1.00 0.25 H new ATOM 0 HA LEU A 47 2.784 -1.509 7.900 1.00 0.26 H new ATOM 0 HB2 LEU A 47 0.457 0.158 7.977 1.00 0.37 H new ATOM 0 HB3 LEU A 47 0.019 -1.399 8.652 1.00 0.37 H new ATOM 0 HG LEU A 47 2.588 -0.277 9.629 1.00 0.80 H new ATOM 0 HD11 LEU A 47 1.476 1.279 11.179 1.00 1.58 H new ATOM 0 HD12 LEU A 47 1.252 1.766 9.481 1.00 1.58 H new ATOM 0 HD13 LEU A 47 -0.076 0.976 10.363 1.00 1.58 H new ATOM 0 HD21 LEU A 47 1.701 -1.104 11.774 1.00 1.53 H new ATOM 0 HD22 LEU A 47 0.158 -1.497 10.980 1.00 1.53 H new ATOM 0 HD23 LEU A 47 1.644 -2.356 10.511 1.00 1.53 H new ATOM 713 N LYS A 48 2.049 -3.844 7.536 1.00 0.22 N ATOM 714 CA LYS A 48 1.676 -5.232 7.283 1.00 0.25 C ATOM 715 C LYS A 48 1.598 -6.025 8.582 1.00 0.26 C ATOM 716 O LYS A 48 2.614 -6.285 9.227 1.00 0.31 O ATOM 717 CB LYS A 48 2.668 -5.902 6.320 1.00 0.34 C ATOM 718 CG LYS A 48 3.999 -5.169 6.180 1.00 0.41 C ATOM 719 CD LYS A 48 4.770 -5.640 4.959 1.00 0.88 C ATOM 720 CE LYS A 48 5.173 -7.099 5.085 1.00 0.73 C ATOM 721 NZ LYS A 48 4.935 -7.853 3.824 1.00 1.37 N ATOM 0 H LYS A 48 2.932 -3.728 8.034 1.00 0.22 H new ATOM 0 HA LYS A 48 0.689 -5.226 6.820 1.00 0.25 H new ATOM 0 HB2 LYS A 48 2.861 -6.918 6.664 1.00 0.34 H new ATOM 0 HB3 LYS A 48 2.205 -5.981 5.337 1.00 0.34 H new ATOM 0 HG2 LYS A 48 3.819 -4.097 6.106 1.00 0.41 H new ATOM 0 HG3 LYS A 48 4.600 -5.330 7.075 1.00 0.41 H new ATOM 0 HD2 LYS A 48 4.158 -5.506 4.067 1.00 0.88 H new ATOM 0 HD3 LYS A 48 5.661 -5.025 4.830 1.00 0.88 H new ATOM 0 HE2 LYS A 48 6.228 -7.162 5.352 1.00 0.73 H new ATOM 0 HE3 LYS A 48 4.611 -7.562 5.896 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 4.809 -8.862 4.042 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 4.079 -7.489 3.358 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 5.751 -7.735 3.190 1.00 1.37 H new ATOM 735 N ASN A 49 0.382 -6.410 8.955 1.00 0.28 N ATOM 736 CA ASN A 49 0.156 -7.183 10.175 1.00 0.35 C ATOM 737 C ASN A 49 0.927 -6.603 11.359 1.00 0.39 C ATOM 738 O ASN A 49 1.508 -7.341 12.155 1.00 0.50 O ATOM 739 CB ASN A 49 0.560 -8.642 9.958 1.00 0.38 C ATOM 740 CG ASN A 49 -0.250 -9.596 10.812 1.00 0.75 C ATOM 741 OD1 ASN A 49 -1.248 -10.160 10.360 1.00 1.53 O ATOM 742 ND2 ASN A 49 0.175 -9.783 12.056 1.00 1.32 N ATOM 0 H ASN A 49 -0.466 -6.199 8.429 1.00 0.28 H new ATOM 0 HA ASN A 49 -0.908 -7.131 10.407 1.00 0.35 H new ATOM 0 HB2 ASN A 49 0.431 -8.900 8.907 1.00 0.38 H new ATOM 0 HB3 ASN A 49 1.619 -8.762 10.188 1.00 0.38 H new ATOM 0 HD21 ASN A 49 -0.330 -10.414 12.678 1.00 1.32 H new ATOM 0 HD22 ASN A 49 1.007 -9.296 12.390 1.00 1.32 H new ATOM 749 N GLY A 50 0.926 -5.279 11.473 1.00 0.38 N ATOM 750 CA GLY A 50 1.625 -4.627 12.567 1.00 0.45 C ATOM 751 C GLY A 50 3.091 -4.367 12.265 1.00 0.48 C ATOM 752 O GLY A 50 3.863 -4.029 13.162 1.00 0.68 O ATOM 0 H GLY A 50 0.454 -4.645 10.828 1.00 0.38 H new ATOM 0 HA2 GLY A 50 1.133 -3.681 12.792 1.00 0.45 H new ATOM 0 HA3 GLY A 50 1.548 -5.247 13.460 1.00 0.45 H new ATOM 756 N LYS A 51 3.474 -4.516 11.001 1.00 0.36 N ATOM 757 CA LYS A 51 4.854 -4.288 10.589 1.00 0.39 C ATOM 758 C LYS A 51 4.934 -3.112 9.626 1.00 0.38 C ATOM 759 O LYS A 51 4.096 -2.971 8.742 1.00 0.39 O ATOM 760 CB LYS A 51 5.424 -5.546 9.927 1.00 0.42 C ATOM 761 CG LYS A 51 6.928 -5.502 9.722 1.00 0.53 C ATOM 762 CD LYS A 51 7.287 -5.048 8.316 1.00 0.75 C ATOM 763 CE LYS A 51 7.922 -6.171 7.511 1.00 0.82 C ATOM 764 NZ LYS A 51 9.071 -6.788 8.230 1.00 1.36 N ATOM 0 H LYS A 51 2.848 -4.794 10.245 1.00 0.36 H new ATOM 0 HA LYS A 51 5.445 -4.056 11.475 1.00 0.39 H new ATOM 0 HB2 LYS A 51 5.175 -6.412 10.540 1.00 0.42 H new ATOM 0 HB3 LYS A 51 4.939 -5.689 8.961 1.00 0.42 H new ATOM 0 HG2 LYS A 51 7.375 -4.825 10.449 1.00 0.53 H new ATOM 0 HG3 LYS A 51 7.350 -6.490 9.905 1.00 0.53 H new ATOM 0 HD2 LYS A 51 6.390 -4.696 7.806 1.00 0.75 H new ATOM 0 HD3 LYS A 51 7.975 -4.204 8.370 1.00 0.75 H new ATOM 0 HE2 LYS A 51 7.173 -6.935 7.300 1.00 0.82 H new ATOM 0 HE3 LYS A 51 8.261 -5.783 6.551 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 9.786 -7.098 7.541 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 9.492 -6.089 8.875 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 8.739 -7.608 8.777 1.00 1.36 H new ATOM 778 N GLU A 52 5.949 -2.273 9.789 1.00 0.38 N ATOM 779 CA GLU A 52 6.122 -1.119 8.915 1.00 0.39 C ATOM 780 C GLU A 52 7.277 -1.348 7.950 1.00 0.43 C ATOM 781 O GLU A 52 8.254 -2.017 8.288 1.00 0.49 O ATOM 782 CB GLU A 52 6.368 0.149 9.735 1.00 0.44 C ATOM 783 CG GLU A 52 7.670 0.120 10.519 1.00 1.03 C ATOM 784 CD GLU A 52 8.103 1.496 10.982 1.00 1.38 C ATOM 785 OE1 GLU A 52 8.780 2.199 10.200 1.00 1.71 O ATOM 786 OE2 GLU A 52 7.767 1.871 12.124 1.00 1.90 O ATOM 0 H GLU A 52 6.661 -2.368 10.513 1.00 0.38 H new ATOM 0 HA GLU A 52 5.205 -0.989 8.341 1.00 0.39 H new ATOM 0 HB2 GLU A 52 6.375 1.009 9.066 1.00 0.44 H new ATOM 0 HB3 GLU A 52 5.539 0.291 10.428 1.00 0.44 H new ATOM 0 HG2 GLU A 52 7.553 -0.531 11.386 1.00 1.03 H new ATOM 0 HG3 GLU A 52 8.454 -0.314 9.898 1.00 1.03 H new ATOM 793 N PHE A 53 7.166 -0.783 6.753 1.00 0.43 N ATOM 794 CA PHE A 53 8.211 -0.923 5.745 1.00 0.50 C ATOM 795 C PHE A 53 8.461 0.409 5.044 1.00 0.56 C ATOM 796 O PHE A 53 7.635 1.320 5.114 1.00 0.70 O ATOM 797 CB PHE A 53 7.824 -1.989 4.718 1.00 0.57 C ATOM 798 CG PHE A 53 8.796 -3.133 4.632 1.00 1.46 C ATOM 799 CD1 PHE A 53 9.469 -3.582 5.759 1.00 2.42 C ATOM 800 CD2 PHE A 53 9.037 -3.763 3.421 1.00 1.99 C ATOM 801 CE1 PHE A 53 10.360 -4.634 5.680 1.00 3.55 C ATOM 802 CE2 PHE A 53 9.928 -4.815 3.335 1.00 3.14 C ATOM 803 CZ PHE A 53 10.589 -5.251 4.467 1.00 3.85 C ATOM 0 H PHE A 53 6.365 -0.225 6.457 1.00 0.43 H new ATOM 0 HA PHE A 53 9.128 -1.233 6.246 1.00 0.50 H new ATOM 0 HB2 PHE A 53 6.838 -2.381 4.969 1.00 0.57 H new ATOM 0 HB3 PHE A 53 7.741 -1.521 3.737 1.00 0.57 H new ATOM 0 HD1 PHE A 53 9.294 -3.102 6.711 1.00 2.42 H new ATOM 0 HD2 PHE A 53 8.522 -3.427 2.533 1.00 1.99 H new ATOM 0 HE1 PHE A 53 10.877 -4.973 6.566 1.00 3.55 H new ATOM 0 HE2 PHE A 53 10.108 -5.296 2.385 1.00 3.14 H new ATOM 0 HZ PHE A 53 11.285 -6.074 4.403 1.00 3.85 H new ATOM 813 N LYS A 54 9.601 0.517 4.370 1.00 0.64 N ATOM 814 CA LYS A 54 9.948 1.741 3.659 1.00 0.77 C ATOM 815 C LYS A 54 10.568 1.424 2.302 1.00 1.29 C ATOM 816 O LYS A 54 11.207 0.384 2.129 1.00 1.12 O ATOM 817 CB LYS A 54 10.915 2.586 4.491 1.00 0.86 C ATOM 818 CG LYS A 54 10.560 4.063 4.517 1.00 1.43 C ATOM 819 CD LYS A 54 9.765 4.425 5.760 1.00 1.82 C ATOM 820 CE LYS A 54 8.338 4.822 5.414 1.00 2.44 C ATOM 821 NZ LYS A 54 7.423 4.685 6.580 1.00 3.19 N ATOM 0 H LYS A 54 10.297 -0.225 4.301 1.00 0.64 H new ATOM 0 HA LYS A 54 9.032 2.308 3.497 1.00 0.77 H new ATOM 0 HB2 LYS A 54 10.931 2.206 5.513 1.00 0.86 H new ATOM 0 HB3 LYS A 54 11.923 2.469 4.092 1.00 0.86 H new ATOM 0 HG2 LYS A 54 11.473 4.658 4.482 1.00 1.43 H new ATOM 0 HG3 LYS A 54 9.981 4.314 3.628 1.00 1.43 H new ATOM 0 HD2 LYS A 54 9.752 3.577 6.444 1.00 1.82 H new ATOM 0 HD3 LYS A 54 10.256 5.247 6.281 1.00 1.82 H new ATOM 0 HE2 LYS A 54 8.324 5.853 5.061 1.00 2.44 H new ATOM 0 HE3 LYS A 54 7.977 4.200 4.595 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 6.461 4.965 6.301 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 7.416 3.696 6.901 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 7.752 5.298 7.353 1.00 3.19 H new ATOM 885 N ARG A 58 13.429 -3.068 1.406 1.00 1.00 N ATOM 886 CA ARG A 58 12.421 -4.048 1.021 1.00 0.92 C ATOM 887 C ARG A 58 13.073 -5.390 0.703 1.00 0.69 C ATOM 888 O ARG A 58 14.206 -5.445 0.223 1.00 0.78 O ATOM 889 CB ARG A 58 11.616 -3.554 -0.179 1.00 1.23 C ATOM 890 CG ARG A 58 10.359 -2.789 0.205 1.00 1.36 C ATOM 891 CD ARG A 58 9.345 -2.779 -0.930 1.00 1.75 C ATOM 892 NE ARG A 58 8.182 -1.951 -0.623 1.00 2.44 N ATOM 893 CZ ARG A 58 7.396 -1.404 -1.550 1.00 3.22 C ATOM 894 NH1 ARG A 58 7.648 -1.592 -2.839 1.00 3.53 N ATOM 895 NH2 ARG A 58 6.352 -0.672 -1.187 1.00 3.98 N ATOM 0 HA ARG A 58 11.740 -4.182 1.861 1.00 0.92 H new ATOM 0 HB2 ARG A 58 12.249 -2.912 -0.791 1.00 1.23 H new ATOM 0 HB3 ARG A 58 11.337 -4.408 -0.796 1.00 1.23 H new ATOM 0 HG2 ARG A 58 9.912 -3.242 1.090 1.00 1.36 H new ATOM 0 HG3 ARG A 58 10.621 -1.765 0.469 1.00 1.36 H new ATOM 0 HD2 ARG A 58 9.822 -2.410 -1.838 1.00 1.75 H new ATOM 0 HD3 ARG A 58 9.019 -3.799 -1.133 1.00 1.75 H new ATOM 0 HE ARG A 58 7.958 -1.781 0.358 1.00 2.44 H new ATOM 0 HH11 ARG A 58 8.447 -2.158 -3.125 1.00 3.53 H new ATOM 0 HH12 ARG A 58 7.043 -1.171 -3.544 1.00 3.53 H new ATOM 0 HH21 ARG A 58 6.150 -0.527 -0.198 1.00 3.98 H new ATOM 0 HH22 ARG A 58 5.751 -0.254 -1.897 1.00 3.98 H new ATOM 909 N ILE A 59 12.346 -6.472 0.964 1.00 0.67 N ATOM 910 CA ILE A 59 12.859 -7.813 0.707 1.00 0.66 C ATOM 911 C ILE A 59 12.925 -8.107 -0.786 1.00 0.59 C ATOM 912 O ILE A 59 11.940 -8.534 -1.390 1.00 0.57 O ATOM 913 CB ILE A 59 12.002 -8.892 1.397 1.00 0.95 C ATOM 914 CG1 ILE A 59 11.797 -8.545 2.873 1.00 1.05 C ATOM 915 CG2 ILE A 59 12.657 -10.258 1.254 1.00 1.16 C ATOM 916 CD1 ILE A 59 13.091 -8.298 3.619 1.00 1.64 C ATOM 0 H ILE A 59 11.403 -6.447 1.352 1.00 0.67 H new ATOM 0 HA ILE A 59 13.866 -7.843 1.122 1.00 0.66 H new ATOM 0 HB ILE A 59 11.026 -8.925 0.913 1.00 0.95 H new ATOM 0 HG12 ILE A 59 11.169 -7.657 2.946 1.00 1.05 H new ATOM 0 HG13 ILE A 59 11.256 -9.358 3.358 1.00 1.05 H new ATOM 0 HG21 ILE A 59 12.041 -11.010 1.746 1.00 1.16 H new ATOM 0 HG22 ILE A 59 12.756 -10.505 0.197 1.00 1.16 H new ATOM 0 HG23 ILE A 59 13.644 -10.238 1.716 1.00 1.16 H new ATOM 0 HD11 ILE A 59 12.871 -8.057 4.659 1.00 1.64 H new ATOM 0 HD12 ILE A 59 13.712 -9.193 3.577 1.00 1.64 H new ATOM 0 HD13 ILE A 59 13.623 -7.466 3.159 1.00 1.64 H new ATOM 928 N GLY A 60 14.096 -7.887 -1.371 1.00 0.70 N ATOM 929 CA GLY A 60 14.278 -8.143 -2.786 1.00 0.77 C ATOM 930 C GLY A 60 14.242 -6.882 -3.626 1.00 0.74 C ATOM 931 O GLY A 60 14.581 -6.916 -4.810 1.00 0.79 O ATOM 0 H GLY A 60 14.924 -7.535 -0.890 1.00 0.70 H new ATOM 0 HA2 GLY A 60 15.232 -8.647 -2.938 1.00 0.77 H new ATOM 0 HA3 GLY A 60 13.499 -8.824 -3.129 1.00 0.77 H new ATOM 935 N GLY A 61 13.834 -5.765 -3.029 1.00 0.70 N ATOM 936 CA GLY A 61 13.772 -4.520 -3.774 1.00 0.72 C ATOM 937 C GLY A 61 12.456 -3.790 -3.578 1.00 0.74 C ATOM 938 O GLY A 61 11.550 -4.302 -2.926 1.00 1.20 O ATOM 0 H GLY A 61 13.548 -5.700 -2.052 1.00 0.70 H new ATOM 0 HA2 GLY A 61 14.592 -3.873 -3.463 1.00 0.72 H new ATOM 0 HA3 GLY A 61 13.914 -4.728 -4.835 1.00 0.72 H new ATOM 942 N TYR A 62 12.355 -2.588 -4.138 1.00 0.69 N ATOM 943 CA TYR A 62 11.140 -1.785 -4.007 1.00 0.84 C ATOM 944 C TYR A 62 10.735 -1.160 -5.341 1.00 0.73 C ATOM 945 O TYR A 62 11.581 -0.665 -6.086 1.00 0.97 O ATOM 946 CB TYR A 62 11.363 -0.684 -2.971 1.00 1.36 C ATOM 947 CG TYR A 62 12.731 -0.046 -3.063 1.00 1.92 C ATOM 948 CD1 TYR A 62 13.827 -0.607 -2.418 1.00 2.32 C ATOM 949 CD2 TYR A 62 12.928 1.116 -3.798 1.00 2.43 C ATOM 950 CE1 TYR A 62 15.080 -0.029 -2.503 1.00 3.05 C ATOM 951 CE2 TYR A 62 14.178 1.700 -3.887 1.00 3.07 C ATOM 952 CZ TYR A 62 15.248 1.125 -3.238 1.00 3.35 C ATOM 953 OH TYR A 62 16.493 1.703 -3.326 1.00 4.10 O ATOM 0 H TYR A 62 13.096 -2.149 -4.685 1.00 0.69 H new ATOM 0 HA TYR A 62 10.333 -2.443 -3.684 1.00 0.84 H new ATOM 0 HB2 TYR A 62 10.601 0.085 -3.099 1.00 1.36 H new ATOM 0 HB3 TYR A 62 11.230 -1.101 -1.973 1.00 1.36 H new ATOM 0 HD1 TYR A 62 13.697 -1.510 -1.840 1.00 2.32 H new ATOM 0 HD2 TYR A 62 12.092 1.570 -4.308 1.00 2.43 H new ATOM 0 HE1 TYR A 62 15.922 -0.479 -1.997 1.00 3.05 H new ATOM 0 HE2 TYR A 62 14.315 2.603 -4.463 1.00 3.07 H new ATOM 0 HH TYR A 62 16.441 2.509 -3.881 1.00 4.10 H new ATOM 963 N LYS A 63 9.435 -1.179 -5.631 1.00 0.66 N ATOM 964 CA LYS A 63 8.923 -0.606 -6.872 1.00 0.78 C ATOM 965 C LYS A 63 7.560 0.050 -6.653 1.00 0.67 C ATOM 966 O LYS A 63 6.612 -0.599 -6.212 1.00 0.54 O ATOM 967 CB LYS A 63 8.813 -1.689 -7.946 1.00 1.11 C ATOM 968 CG LYS A 63 9.862 -1.572 -9.038 1.00 1.28 C ATOM 969 CD LYS A 63 9.287 -0.936 -10.291 1.00 1.83 C ATOM 970 CE LYS A 63 8.839 0.492 -10.032 1.00 2.36 C ATOM 971 NZ LYS A 63 8.626 1.245 -11.298 1.00 3.18 N ATOM 0 H LYS A 63 8.721 -1.583 -5.026 1.00 0.66 H new ATOM 0 HA LYS A 63 9.623 0.161 -7.204 1.00 0.78 H new ATOM 0 HB2 LYS A 63 8.900 -2.667 -7.474 1.00 1.11 H new ATOM 0 HB3 LYS A 63 7.823 -1.641 -8.399 1.00 1.11 H new ATOM 0 HG2 LYS A 63 10.700 -0.976 -8.677 1.00 1.28 H new ATOM 0 HG3 LYS A 63 10.253 -2.561 -9.277 1.00 1.28 H new ATOM 0 HD2 LYS A 63 10.036 -0.946 -11.083 1.00 1.83 H new ATOM 0 HD3 LYS A 63 8.441 -1.526 -10.645 1.00 1.83 H new ATOM 0 HE2 LYS A 63 7.914 0.483 -9.455 1.00 2.36 H new ATOM 0 HE3 LYS A 63 9.588 1.003 -9.427 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 8.321 2.215 -11.078 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 9.515 1.275 -11.838 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 7.893 0.772 -11.864 1.00 3.18 H new ATOM 985 N VAL A 64 7.471 1.342 -6.959 1.00 0.81 N ATOM 986 CA VAL A 64 6.223 2.083 -6.791 1.00 0.77 C ATOM 987 C VAL A 64 5.860 2.856 -8.055 1.00 0.82 C ATOM 988 O VAL A 64 6.691 3.565 -8.621 1.00 0.89 O ATOM 989 CB VAL A 64 6.313 3.073 -5.618 1.00 0.85 C ATOM 990 CG1 VAL A 64 7.408 4.100 -5.870 1.00 1.49 C ATOM 991 CG2 VAL A 64 4.973 3.756 -5.393 1.00 1.71 C ATOM 0 H VAL A 64 8.246 1.897 -7.324 1.00 0.81 H new ATOM 0 HA VAL A 64 5.449 1.344 -6.584 1.00 0.77 H new ATOM 0 HB VAL A 64 6.568 2.518 -4.715 1.00 0.85 H new ATOM 0 HG11 VAL A 64 7.458 4.793 -5.030 1.00 1.49 H new ATOM 0 HG12 VAL A 64 8.366 3.591 -5.978 1.00 1.49 H new ATOM 0 HG13 VAL A 64 7.186 4.652 -6.783 1.00 1.49 H new ATOM 0 HG21 VAL A 64 5.055 4.453 -4.559 1.00 1.71 H new ATOM 0 HG22 VAL A 64 4.686 4.299 -6.293 1.00 1.71 H new ATOM 0 HG23 VAL A 64 4.216 3.006 -5.165 1.00 1.71 H new ATOM 1001 N ARG A 65 4.613 2.713 -8.491 1.00 0.82 N ATOM 1002 CA ARG A 65 4.141 3.396 -9.689 1.00 0.92 C ATOM 1003 C ARG A 65 4.020 4.901 -9.458 1.00 1.03 C ATOM 1004 O ARG A 65 3.371 5.346 -8.512 1.00 1.18 O ATOM 1005 CB ARG A 65 2.792 2.825 -10.128 1.00 0.96 C ATOM 1006 CG ARG A 65 2.487 3.047 -11.601 1.00 1.51 C ATOM 1007 CD ARG A 65 1.195 3.824 -11.789 1.00 2.02 C ATOM 1008 NE ARG A 65 0.920 4.094 -13.198 1.00 2.60 N ATOM 1009 CZ ARG A 65 0.458 3.183 -14.047 1.00 3.22 C ATOM 1010 NH1 ARG A 65 0.214 1.947 -13.630 1.00 3.52 N ATOM 1011 NH2 ARG A 65 0.238 3.505 -15.314 1.00 3.99 N ATOM 0 H ARG A 65 3.912 2.131 -8.033 1.00 0.82 H new ATOM 0 HA ARG A 65 4.874 3.231 -10.478 1.00 0.92 H new ATOM 0 HB2 ARG A 65 2.774 1.755 -9.919 1.00 0.96 H new ATOM 0 HB3 ARG A 65 2.002 3.280 -9.530 1.00 0.96 H new ATOM 0 HG2 ARG A 65 3.310 3.589 -12.067 1.00 1.51 H new ATOM 0 HG3 ARG A 65 2.412 2.085 -12.107 1.00 1.51 H new ATOM 0 HD2 ARG A 65 0.367 3.260 -11.359 1.00 2.02 H new ATOM 0 HD3 ARG A 65 1.256 4.766 -11.244 1.00 2.02 H new ATOM 0 HE ARG A 65 1.093 5.036 -13.550 1.00 2.60 H new ATOM 0 HH11 ARG A 65 0.381 1.695 -12.656 1.00 3.52 H new ATOM 0 HH12 ARG A 65 -0.141 1.249 -14.284 1.00 3.52 H new ATOM 0 HH21 ARG A 65 0.424 4.454 -15.639 1.00 3.99 H new ATOM 0 HH22 ARG A 65 -0.117 2.804 -15.964 1.00 3.99 H new ATOM 1025 N ASN A 66 4.652 5.677 -10.337 1.00 1.03 N ATOM 1026 CA ASN A 66 4.629 7.138 -10.253 1.00 1.16 C ATOM 1027 C ASN A 66 4.772 7.627 -8.803 1.00 1.03 C ATOM 1028 O ASN A 66 5.871 7.591 -8.249 1.00 1.79 O ATOM 1029 CB ASN A 66 3.357 7.688 -10.906 1.00 1.96 C ATOM 1030 CG ASN A 66 3.480 7.793 -12.414 1.00 2.83 C ATOM 1031 OD1 ASN A 66 4.133 6.967 -13.054 1.00 3.41 O ATOM 1032 ND2 ASN A 66 2.854 8.812 -12.990 1.00 3.48 N ATOM 0 H ASN A 66 5.191 5.315 -11.123 1.00 1.03 H new ATOM 0 HA ASN A 66 5.490 7.521 -10.801 1.00 1.16 H new ATOM 0 HB2 ASN A 66 2.515 7.042 -10.657 1.00 1.96 H new ATOM 0 HB3 ASN A 66 3.136 8.672 -10.493 1.00 1.96 H new ATOM 0 HD21 ASN A 66 2.903 8.934 -14.001 1.00 3.48 H new ATOM 0 HD22 ASN A 66 2.324 9.472 -12.421 1.00 3.48 H new ATOM 1039 N GLN A 67 3.680 8.091 -8.185 1.00 1.15 N ATOM 1040 CA GLN A 67 3.750 8.579 -6.811 1.00 1.99 C ATOM 1041 C GLN A 67 2.445 8.350 -6.042 1.00 1.73 C ATOM 1042 O GLN A 67 2.272 8.890 -4.951 1.00 2.55 O ATOM 1043 CB GLN A 67 4.092 10.070 -6.804 1.00 2.86 C ATOM 1044 CG GLN A 67 5.566 10.357 -6.571 1.00 3.88 C ATOM 1045 CD GLN A 67 5.854 11.837 -6.405 1.00 4.69 C ATOM 1046 OE1 GLN A 67 6.344 12.274 -5.362 1.00 5.12 O ATOM 1047 NE2 GLN A 67 5.550 12.618 -7.435 1.00 5.31 N ATOM 0 H GLN A 67 2.754 8.137 -8.609 1.00 1.15 H new ATOM 0 HA GLN A 67 4.533 8.011 -6.308 1.00 1.99 H new ATOM 0 HB2 GLN A 67 3.792 10.507 -7.756 1.00 2.86 H new ATOM 0 HB3 GLN A 67 3.507 10.564 -6.028 1.00 2.86 H new ATOM 0 HG2 GLN A 67 5.900 9.824 -5.681 1.00 3.88 H new ATOM 0 HG3 GLN A 67 6.145 9.970 -7.410 1.00 3.88 H new ATOM 0 HE21 GLN A 67 5.146 12.214 -8.280 1.00 5.31 H new ATOM 0 HE22 GLN A 67 5.721 13.622 -7.381 1.00 5.31 H new ATOM 1056 N HIS A 68 1.537 7.547 -6.601 1.00 0.89 N ATOM 1057 CA HIS A 68 0.260 7.263 -5.943 1.00 0.62 C ATOM 1058 C HIS A 68 -0.653 6.429 -6.842 1.00 0.68 C ATOM 1059 O HIS A 68 -1.249 6.947 -7.785 1.00 1.37 O ATOM 1060 CB HIS A 68 -0.453 8.564 -5.559 1.00 0.63 C ATOM 1061 CG HIS A 68 -0.704 9.475 -6.721 1.00 1.42 C ATOM 1062 ND1 HIS A 68 -1.969 9.857 -7.115 1.00 2.23 N ATOM 1063 CD2 HIS A 68 0.153 10.082 -7.575 1.00 2.22 C ATOM 1064 CE1 HIS A 68 -1.879 10.660 -8.161 1.00 2.85 C ATOM 1065 NE2 HIS A 68 -0.602 10.813 -8.459 1.00 2.83 N ATOM 0 H HIS A 68 1.661 7.085 -7.502 1.00 0.89 H new ATOM 0 HA HIS A 68 0.478 6.692 -5.040 1.00 0.62 H new ATOM 0 HB2 HIS A 68 -1.405 8.321 -5.086 1.00 0.63 H new ATOM 0 HB3 HIS A 68 0.146 9.092 -4.817 1.00 0.63 H new ATOM 0 HD2 HIS A 68 1.230 10.006 -7.563 1.00 2.22 H new ATOM 0 HE1 HIS A 68 -2.709 11.114 -8.683 1.00 2.85 H new ATOM 0 HE2 HIS A 68 -0.236 11.382 -9.222 1.00 2.83 H new ATOM 1074 N TRP A 69 -0.763 5.137 -6.537 1.00 0.51 N ATOM 1075 CA TRP A 69 -1.612 4.228 -7.308 1.00 0.45 C ATOM 1076 C TRP A 69 -1.311 2.776 -6.953 1.00 0.37 C ATOM 1077 O TRP A 69 -2.021 2.161 -6.157 1.00 0.44 O ATOM 1078 CB TRP A 69 -1.424 4.446 -8.813 1.00 0.56 C ATOM 1079 CG TRP A 69 -2.638 5.011 -9.486 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -3.663 5.690 -8.889 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -2.960 4.946 -10.880 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -4.600 6.053 -9.828 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -4.191 5.606 -11.057 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -2.324 4.394 -11.996 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -4.797 5.729 -12.306 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 -2.928 4.517 -13.235 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -4.152 5.181 -13.379 1.00 3.14 C ATOM 0 H TRP A 69 -0.274 4.694 -5.759 1.00 0.51 H new ATOM 0 HA TRP A 69 -2.649 4.446 -7.052 1.00 0.45 H new ATOM 0 HB2 TRP A 69 -0.582 5.119 -8.973 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -1.166 3.496 -9.281 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -3.728 5.910 -7.834 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -5.459 6.570 -9.640 1.00 1.72 H new ATOM 0 HE3 TRP A 69 -1.379 3.881 -11.893 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -5.742 6.239 -12.422 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 -2.447 4.094 -14.105 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -4.596 5.262 -14.360 1.00 3.14 H new ATOM 1098 N SER A 70 -0.250 2.234 -7.544 1.00 0.35 N ATOM 1099 CA SER A 70 0.148 0.855 -7.284 1.00 0.33 C ATOM 1100 C SER A 70 1.524 0.805 -6.631 1.00 0.36 C ATOM 1101 O SER A 70 2.374 1.659 -6.885 1.00 0.39 O ATOM 1102 CB SER A 70 0.155 0.042 -8.581 1.00 0.40 C ATOM 1103 OG SER A 70 0.628 0.818 -9.668 1.00 1.02 O ATOM 0 H SER A 70 0.349 2.728 -8.205 1.00 0.35 H new ATOM 0 HA SER A 70 -0.579 0.418 -6.600 1.00 0.33 H new ATOM 0 HB2 SER A 70 0.785 -0.839 -8.458 1.00 0.40 H new ATOM 0 HB3 SER A 70 -0.853 -0.314 -8.796 1.00 0.40 H new ATOM 0 HG SER A 70 0.624 0.275 -10.484 1.00 1.02 H new ATOM 1109 N LEU A 71 1.740 -0.205 -5.797 1.00 0.38 N ATOM 1110 CA LEU A 71 3.014 -0.378 -5.114 1.00 0.44 C ATOM 1111 C LEU A 71 3.373 -1.856 -5.025 1.00 0.44 C ATOM 1112 O LEU A 71 2.667 -2.634 -4.382 1.00 0.52 O ATOM 1113 CB LEU A 71 2.956 0.232 -3.713 1.00 0.51 C ATOM 1114 CG LEU A 71 1.694 -0.100 -2.915 1.00 0.63 C ATOM 1115 CD1 LEU A 71 2.013 -0.191 -1.431 1.00 0.98 C ATOM 1116 CD2 LEU A 71 0.615 0.941 -3.169 1.00 0.80 C ATOM 0 H LEU A 71 1.045 -0.919 -5.577 1.00 0.38 H new ATOM 0 HA LEU A 71 3.784 0.136 -5.689 1.00 0.44 H new ATOM 0 HB2 LEU A 71 3.824 -0.108 -3.149 1.00 0.51 H new ATOM 0 HB3 LEU A 71 3.037 1.315 -3.801 1.00 0.51 H new ATOM 0 HG LEU A 71 1.320 -1.069 -3.246 1.00 0.63 H new ATOM 0 HD11 LEU A 71 1.104 -0.428 -0.877 1.00 0.98 H new ATOM 0 HD12 LEU A 71 2.753 -0.974 -1.265 1.00 0.98 H new ATOM 0 HD13 LEU A 71 2.410 0.763 -1.085 1.00 0.98 H new ATOM 0 HD21 LEU A 71 -0.276 0.689 -2.594 1.00 0.80 H new ATOM 0 HD22 LEU A 71 0.978 1.923 -2.865 1.00 0.80 H new ATOM 0 HD23 LEU A 71 0.368 0.958 -4.231 1.00 0.80 H new ATOM 1128 N ILE A 72 4.466 -2.244 -5.670 1.00 0.39 N ATOM 1129 CA ILE A 72 4.893 -3.637 -5.653 1.00 0.39 C ATOM 1130 C ILE A 72 6.060 -3.848 -4.692 1.00 0.36 C ATOM 1131 O ILE A 72 7.136 -3.265 -4.854 1.00 0.38 O ATOM 1132 CB ILE A 72 5.275 -4.134 -7.065 1.00 0.42 C ATOM 1133 CG1 ILE A 72 5.342 -5.662 -7.086 1.00 0.44 C ATOM 1134 CG2 ILE A 72 6.599 -3.535 -7.518 1.00 0.45 C ATOM 1135 CD1 ILE A 72 5.527 -6.237 -8.474 1.00 1.12 C ATOM 0 H ILE A 72 5.068 -1.620 -6.207 1.00 0.39 H new ATOM 0 HA ILE A 72 4.043 -4.223 -5.303 1.00 0.39 H new ATOM 0 HB ILE A 72 4.504 -3.806 -7.762 1.00 0.42 H new ATOM 0 HG12 ILE A 72 6.165 -5.991 -6.452 1.00 0.44 H new ATOM 0 HG13 ILE A 72 4.426 -6.064 -6.653 1.00 0.44 H new ATOM 0 HG21 ILE A 72 6.842 -3.902 -8.515 1.00 0.45 H new ATOM 0 HG22 ILE A 72 6.518 -2.448 -7.542 1.00 0.45 H new ATOM 0 HG23 ILE A 72 7.386 -3.825 -6.822 1.00 0.45 H new ATOM 0 HD11 ILE A 72 5.566 -7.325 -8.415 1.00 1.12 H new ATOM 0 HD12 ILE A 72 4.691 -5.938 -9.106 1.00 1.12 H new ATOM 0 HD13 ILE A 72 6.457 -5.863 -8.902 1.00 1.12 H new ATOM 1147 N MET A 73 5.832 -4.689 -3.687 1.00 0.36 N ATOM 1148 CA MET A 73 6.848 -4.995 -2.689 1.00 0.36 C ATOM 1149 C MET A 73 7.101 -6.497 -2.619 1.00 0.33 C ATOM 1150 O MET A 73 6.189 -7.277 -2.343 1.00 0.43 O ATOM 1151 CB MET A 73 6.415 -4.477 -1.316 1.00 0.43 C ATOM 1152 CG MET A 73 5.276 -5.269 -0.699 1.00 0.83 C ATOM 1153 SD MET A 73 4.493 -4.408 0.678 1.00 1.86 S ATOM 1154 CE MET A 73 5.860 -4.301 1.834 1.00 2.56 C ATOM 0 H MET A 73 4.946 -5.173 -3.543 1.00 0.36 H new ATOM 0 HA MET A 73 7.773 -4.499 -2.982 1.00 0.36 H new ATOM 0 HB2 MET A 73 7.271 -4.502 -0.641 1.00 0.43 H new ATOM 0 HB3 MET A 73 6.112 -3.434 -1.409 1.00 0.43 H new ATOM 0 HG2 MET A 73 4.528 -5.477 -1.464 1.00 0.83 H new ATOM 0 HG3 MET A 73 5.654 -6.231 -0.353 1.00 0.83 H new ATOM 0 HE1 MET A 73 5.503 -3.905 2.785 1.00 2.56 H new ATOM 0 HE2 MET A 73 6.283 -5.293 1.990 1.00 2.56 H new ATOM 0 HE3 MET A 73 6.627 -3.639 1.431 1.00 2.56 H new ATOM 1164 N GLU A 74 8.342 -6.895 -2.869 1.00 0.33 N ATOM 1165 CA GLU A 74 8.714 -8.304 -2.830 1.00 0.31 C ATOM 1166 C GLU A 74 8.850 -8.783 -1.389 1.00 0.31 C ATOM 1167 O GLU A 74 9.653 -8.251 -0.625 1.00 0.37 O ATOM 1168 CB GLU A 74 10.028 -8.527 -3.581 1.00 0.37 C ATOM 1169 CG GLU A 74 10.509 -9.969 -3.552 1.00 0.41 C ATOM 1170 CD GLU A 74 11.376 -10.317 -4.744 1.00 0.89 C ATOM 1171 OE1 GLU A 74 11.699 -9.401 -5.530 1.00 1.12 O ATOM 1172 OE2 GLU A 74 11.731 -11.505 -4.894 1.00 1.52 O ATOM 0 H GLU A 74 9.108 -6.262 -3.101 1.00 0.33 H new ATOM 0 HA GLU A 74 7.926 -8.880 -3.316 1.00 0.31 H new ATOM 0 HB2 GLU A 74 9.901 -8.216 -4.618 1.00 0.37 H new ATOM 0 HB3 GLU A 74 10.797 -7.887 -3.148 1.00 0.37 H new ATOM 0 HG2 GLU A 74 11.072 -10.142 -2.635 1.00 0.41 H new ATOM 0 HG3 GLU A 74 9.647 -10.635 -3.527 1.00 0.41 H new ATOM 1179 N SER A 75 8.057 -9.784 -1.022 1.00 0.29 N ATOM 1180 CA SER A 75 8.089 -10.326 0.331 1.00 0.33 C ATOM 1181 C SER A 75 8.163 -11.852 0.314 1.00 0.33 C ATOM 1182 O SER A 75 7.174 -12.525 0.020 1.00 0.38 O ATOM 1183 CB SER A 75 6.855 -9.869 1.110 1.00 0.41 C ATOM 1184 OG SER A 75 6.182 -8.823 0.430 1.00 1.32 O ATOM 0 H SER A 75 7.385 -10.236 -1.642 1.00 0.29 H new ATOM 0 HA SER A 75 8.985 -9.949 0.824 1.00 0.33 H new ATOM 0 HB2 SER A 75 6.177 -10.711 1.251 1.00 0.41 H new ATOM 0 HB3 SER A 75 7.152 -9.530 2.102 1.00 0.41 H new ATOM 0 HG SER A 75 5.396 -8.549 0.947 1.00 1.32 H new ATOM 1190 N VAL A 76 9.337 -12.389 0.635 1.00 0.37 N ATOM 1191 CA VAL A 76 9.532 -13.836 0.662 1.00 0.41 C ATOM 1192 C VAL A 76 9.231 -14.401 2.046 1.00 0.43 C ATOM 1193 O VAL A 76 8.510 -15.390 2.181 1.00 0.46 O ATOM 1194 CB VAL A 76 10.967 -14.221 0.254 1.00 0.48 C ATOM 1195 CG1 VAL A 76 11.978 -13.664 1.245 1.00 1.54 C ATOM 1196 CG2 VAL A 76 11.105 -15.733 0.137 1.00 1.33 C ATOM 0 H VAL A 76 10.165 -11.846 0.879 1.00 0.37 H new ATOM 0 HA VAL A 76 8.837 -14.265 -0.060 1.00 0.41 H new ATOM 0 HB VAL A 76 11.172 -13.782 -0.723 1.00 0.48 H new ATOM 0 HG11 VAL A 76 12.984 -13.948 0.937 1.00 1.54 H new ATOM 0 HG12 VAL A 76 11.900 -12.577 1.272 1.00 1.54 H new ATOM 0 HG13 VAL A 76 11.775 -14.067 2.237 1.00 1.54 H new ATOM 0 HG21 VAL A 76 12.126 -15.984 -0.152 1.00 1.33 H new ATOM 0 HG22 VAL A 76 10.876 -16.195 1.097 1.00 1.33 H new ATOM 0 HG23 VAL A 76 10.412 -16.104 -0.618 1.00 1.33 H new ATOM 1206 N VAL A 77 9.785 -13.764 3.073 1.00 0.45 N ATOM 1207 CA VAL A 77 9.570 -14.200 4.447 1.00 0.49 C ATOM 1208 C VAL A 77 8.368 -13.493 5.078 1.00 0.45 C ATOM 1209 O VAL A 77 7.540 -14.134 5.726 1.00 0.47 O ATOM 1210 CB VAL A 77 10.818 -13.962 5.323 1.00 0.57 C ATOM 1211 CG1 VAL A 77 10.682 -14.685 6.653 1.00 0.80 C ATOM 1212 CG2 VAL A 77 12.075 -14.406 4.593 1.00 0.77 C ATOM 0 H VAL A 77 10.386 -12.945 2.979 1.00 0.45 H new ATOM 0 HA VAL A 77 9.370 -15.271 4.404 1.00 0.49 H new ATOM 0 HB VAL A 77 10.900 -12.894 5.523 1.00 0.57 H new ATOM 0 HG11 VAL A 77 11.571 -14.506 7.257 1.00 0.80 H new ATOM 0 HG12 VAL A 77 9.804 -14.314 7.181 1.00 0.80 H new ATOM 0 HG13 VAL A 77 10.573 -15.755 6.476 1.00 0.80 H new ATOM 0 HG21 VAL A 77 12.945 -14.230 5.226 1.00 0.77 H new ATOM 0 HG22 VAL A 77 12.004 -15.468 4.360 1.00 0.77 H new ATOM 0 HG23 VAL A 77 12.179 -13.838 3.669 1.00 0.77 H new ATOM 1222 N PRO A 78 8.245 -12.162 4.901 1.00 0.43 N ATOM 1223 CA PRO A 78 7.125 -11.396 5.462 1.00 0.41 C ATOM 1224 C PRO A 78 5.778 -11.855 4.914 1.00 0.35 C ATOM 1225 O PRO A 78 4.733 -11.589 5.509 1.00 0.34 O ATOM 1226 CB PRO A 78 7.412 -9.952 5.025 1.00 0.42 C ATOM 1227 CG PRO A 78 8.857 -9.931 4.673 1.00 0.48 C ATOM 1228 CD PRO A 78 9.169 -11.300 4.146 1.00 0.46 C ATOM 0 HA PRO A 78 7.055 -11.520 6.543 1.00 0.41 H new ATOM 0 HB2 PRO A 78 6.795 -9.669 4.172 1.00 0.42 H new ATOM 0 HB3 PRO A 78 7.192 -9.247 5.826 1.00 0.42 H new ATOM 0 HG2 PRO A 78 9.066 -9.167 3.924 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.469 -9.699 5.545 1.00 0.48 H new ATOM 0 HD2 PRO A 78 8.998 -11.368 3.072 1.00 0.46 H new ATOM 0 HD3 PRO A 78 10.210 -11.573 4.321 1.00 0.46 H new ATOM 1236 N SER A 79 5.807 -12.545 3.777 1.00 0.34 N ATOM 1237 CA SER A 79 4.583 -13.036 3.151 1.00 0.34 C ATOM 1238 C SER A 79 3.755 -13.847 4.136 1.00 0.38 C ATOM 1239 O SER A 79 2.541 -13.972 3.981 1.00 0.39 O ATOM 1240 CB SER A 79 4.920 -13.889 1.925 1.00 0.39 C ATOM 1241 OG SER A 79 3.894 -13.809 0.951 1.00 1.13 O ATOM 0 H SER A 79 6.662 -12.776 3.272 1.00 0.34 H new ATOM 0 HA SER A 79 3.995 -12.174 2.836 1.00 0.34 H new ATOM 0 HB2 SER A 79 5.863 -13.554 1.493 1.00 0.39 H new ATOM 0 HB3 SER A 79 5.059 -14.927 2.227 1.00 0.39 H new ATOM 0 HG SER A 79 4.134 -14.361 0.177 1.00 1.13 H new ATOM 1247 N ASP A 80 4.410 -14.392 5.156 1.00 0.43 N ATOM 1248 CA ASP A 80 3.711 -15.180 6.159 1.00 0.50 C ATOM 1249 C ASP A 80 2.571 -14.372 6.757 1.00 0.42 C ATOM 1250 O ASP A 80 1.493 -14.905 7.016 1.00 0.47 O ATOM 1251 CB ASP A 80 4.672 -15.639 7.256 1.00 0.62 C ATOM 1252 CG ASP A 80 4.298 -16.995 7.819 1.00 1.27 C ATOM 1253 OD1 ASP A 80 4.191 -17.957 7.029 1.00 2.02 O ATOM 1254 OD2 ASP A 80 4.112 -17.097 9.050 1.00 1.69 O ATOM 0 H ASP A 80 5.415 -14.303 5.308 1.00 0.43 H new ATOM 0 HA ASP A 80 3.299 -16.066 5.676 1.00 0.50 H new ATOM 0 HB2 ASP A 80 5.684 -15.682 6.854 1.00 0.62 H new ATOM 0 HB3 ASP A 80 4.679 -14.904 8.061 1.00 0.62 H new ATOM 1259 N LYS A 81 2.801 -13.078 6.952 1.00 0.38 N ATOM 1260 CA LYS A 81 1.766 -12.218 7.494 1.00 0.33 C ATOM 1261 C LYS A 81 0.973 -11.592 6.356 1.00 0.26 C ATOM 1262 O LYS A 81 1.468 -10.722 5.640 1.00 0.27 O ATOM 1263 CB LYS A 81 2.385 -11.121 8.365 1.00 0.40 C ATOM 1264 CG LYS A 81 3.583 -10.441 7.722 1.00 0.91 C ATOM 1265 CD LYS A 81 4.021 -9.215 8.509 1.00 1.02 C ATOM 1266 CE LYS A 81 5.380 -8.714 8.045 1.00 0.87 C ATOM 1267 NZ LYS A 81 6.496 -9.389 8.764 1.00 1.23 N ATOM 0 H LYS A 81 3.684 -12.610 6.745 1.00 0.38 H new ATOM 0 HA LYS A 81 1.098 -12.817 8.113 1.00 0.33 H new ATOM 0 HB2 LYS A 81 1.626 -10.370 8.585 1.00 0.40 H new ATOM 0 HB3 LYS A 81 2.691 -11.553 9.318 1.00 0.40 H new ATOM 0 HG2 LYS A 81 4.411 -11.147 7.657 1.00 0.91 H new ATOM 0 HG3 LYS A 81 3.332 -10.149 6.702 1.00 0.91 H new ATOM 0 HD2 LYS A 81 3.281 -8.423 8.394 1.00 1.02 H new ATOM 0 HD3 LYS A 81 4.064 -9.459 9.571 1.00 1.02 H new ATOM 0 HE2 LYS A 81 5.483 -8.884 6.973 1.00 0.87 H new ATOM 0 HE3 LYS A 81 5.444 -7.638 8.204 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 7.405 -9.044 8.395 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 6.432 -9.178 9.780 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 6.431 -10.417 8.619 1.00 1.23 H new ATOM 1281 N GLY A 82 -0.252 -12.065 6.178 1.00 0.24 N ATOM 1282 CA GLY A 82 -1.091 -11.571 5.108 1.00 0.24 C ATOM 1283 C GLY A 82 -2.082 -10.515 5.558 1.00 0.28 C ATOM 1284 O GLY A 82 -3.289 -10.675 5.398 1.00 0.53 O ATOM 0 H GLY A 82 -0.681 -12.785 6.759 1.00 0.24 H new ATOM 0 HA2 GLY A 82 -0.459 -11.155 4.323 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.636 -12.406 4.669 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.572 -9.419 6.095 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.425 -8.325 6.532 1.00 0.28 C ATOM 1290 C ASN A 83 -1.991 -7.035 5.844 1.00 0.30 C ATOM 1291 O ASN A 83 -0.915 -6.507 6.126 1.00 0.36 O ATOM 1292 CB ASN A 83 -2.358 -8.168 8.053 1.00 0.40 C ATOM 1293 CG ASN A 83 -3.350 -7.146 8.574 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -3.980 -6.425 7.799 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -3.496 -7.081 9.892 1.00 0.96 N ATOM 0 H ASN A 83 -0.574 -9.263 6.239 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.457 -8.546 6.259 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -2.553 -9.132 8.524 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -1.350 -7.871 8.341 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -4.151 -6.414 10.300 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -2.953 -7.698 10.496 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.823 -6.540 4.933 1.00 0.33 N ATOM 1303 CA TYR A 84 -2.504 -5.324 4.195 1.00 0.40 C ATOM 1304 C TYR A 84 -3.065 -4.084 4.879 1.00 0.35 C ATOM 1305 O TYR A 84 -4.255 -4.015 5.186 1.00 0.44 O ATOM 1306 CB TYR A 84 -3.048 -5.407 2.765 1.00 0.57 C ATOM 1307 CG TYR A 84 -2.737 -4.186 1.929 1.00 1.17 C ATOM 1308 CD1 TYR A 84 -1.581 -3.449 2.149 1.00 1.96 C ATOM 1309 CD2 TYR A 84 -3.598 -3.771 0.922 1.00 1.74 C ATOM 1310 CE1 TYR A 84 -1.291 -2.331 1.390 1.00 2.76 C ATOM 1311 CE2 TYR A 84 -3.316 -2.654 0.157 1.00 2.46 C ATOM 1312 CZ TYR A 84 -2.161 -1.937 0.395 1.00 2.86 C ATOM 1313 OH TYR A 84 -1.877 -0.825 -0.363 1.00 3.72 O ATOM 0 H TYR A 84 -3.720 -6.961 4.689 1.00 0.33 H new ATOM 0 HA TYR A 84 -1.418 -5.238 4.170 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -2.631 -6.288 2.277 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -4.128 -5.546 2.803 1.00 0.57 H new ATOM 0 HD1 TYR A 84 -0.897 -3.755 2.927 1.00 1.96 H new ATOM 0 HD2 TYR A 84 -4.503 -4.330 0.733 1.00 1.74 H new ATOM 0 HE1 TYR A 84 -0.388 -1.769 1.575 1.00 2.76 H new ATOM 0 HE2 TYR A 84 -3.996 -2.344 -0.623 1.00 2.46 H new ATOM 0 HH TYR A 84 -2.462 -0.087 -0.092 1.00 3.72 H new ATOM 1323 N THR A 85 -2.203 -3.101 5.098 1.00 0.32 N ATOM 1324 CA THR A 85 -2.610 -1.849 5.718 1.00 0.33 C ATOM 1325 C THR A 85 -2.178 -0.663 4.862 1.00 0.29 C ATOM 1326 O THR A 85 -0.985 -0.455 4.630 1.00 0.31 O ATOM 1327 CB THR A 85 -2.024 -1.693 7.131 1.00 0.45 C ATOM 1328 OG1 THR A 85 -1.906 -2.975 7.760 1.00 1.14 O ATOM 1329 CG2 THR A 85 -2.896 -0.783 7.983 1.00 1.00 C ATOM 0 H THR A 85 -1.214 -3.147 4.854 1.00 0.32 H new ATOM 0 HA THR A 85 -3.697 -1.871 5.797 1.00 0.33 H new ATOM 0 HB THR A 85 -1.036 -1.242 7.040 1.00 0.45 H new ATOM 0 HG1 THR A 85 -1.005 -3.330 7.612 1.00 1.14 H new ATOM 0 HG21 THR A 85 -2.460 -0.689 8.978 1.00 1.00 H new ATOM 0 HG22 THR A 85 -2.957 0.201 7.519 1.00 1.00 H new ATOM 0 HG23 THR A 85 -3.896 -1.209 8.064 1.00 1.00 H new ATOM 1337 N CYS A 86 -3.152 0.116 4.400 1.00 0.30 N ATOM 1338 CA CYS A 86 -2.874 1.287 3.575 1.00 0.30 C ATOM 1339 C CYS A 86 -3.200 2.558 4.349 1.00 0.30 C ATOM 1340 O CYS A 86 -4.360 2.952 4.449 1.00 0.31 O ATOM 1341 CB CYS A 86 -3.697 1.236 2.284 1.00 0.36 C ATOM 1342 SG CYS A 86 -2.848 1.876 0.804 1.00 0.65 S ATOM 0 H CYS A 86 -4.143 -0.043 4.584 1.00 0.30 H new ATOM 0 HA CYS A 86 -1.815 1.289 3.316 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -3.990 0.203 2.098 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -4.614 1.805 2.433 1.00 0.36 H new ATOM 1347 N VAL A 87 -2.170 3.195 4.892 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.357 4.423 5.652 1.00 0.30 C ATOM 1349 C VAL A 87 -1.806 5.619 4.890 1.00 0.31 C ATOM 1350 O VAL A 87 -0.595 5.818 4.822 1.00 0.30 O ATOM 1351 CB VAL A 87 -1.671 4.340 7.028 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -1.985 5.575 7.858 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -2.095 3.075 7.759 1.00 0.97 C ATOM 0 H VAL A 87 -1.201 2.883 4.821 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.429 4.550 5.800 1.00 0.30 H new ATOM 0 HB VAL A 87 -0.593 4.300 6.874 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -1.491 5.498 8.827 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -1.627 6.464 7.338 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -3.062 5.650 8.005 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -1.601 3.033 8.730 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -3.176 3.082 7.902 1.00 0.97 H new ATOM 0 HG23 VAL A 87 -1.813 2.202 7.170 1.00 0.97 H new ATOM 1363 N VAL A 88 -2.700 6.417 4.315 1.00 0.32 N ATOM 1364 CA VAL A 88 -2.283 7.588 3.558 1.00 0.33 C ATOM 1365 C VAL A 88 -2.504 8.868 4.352 1.00 0.30 C ATOM 1366 O VAL A 88 -3.639 9.242 4.650 1.00 0.30 O ATOM 1367 CB VAL A 88 -3.039 7.692 2.221 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -4.537 7.806 2.461 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -2.530 8.874 1.410 1.00 1.50 C ATOM 0 H VAL A 88 -3.709 6.275 4.359 1.00 0.32 H new ATOM 0 HA VAL A 88 -1.218 7.468 3.358 1.00 0.33 H new ATOM 0 HB VAL A 88 -2.855 6.782 1.649 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -5.054 7.879 1.504 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -4.888 6.924 2.997 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -4.744 8.697 3.054 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -3.076 8.931 0.468 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -2.681 9.794 1.974 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -1.467 8.744 1.206 1.00 1.50 H new ATOM 1379 N GLU A 89 -1.408 9.532 4.697 1.00 0.32 N ATOM 1380 CA GLU A 89 -1.474 10.767 5.461 1.00 0.32 C ATOM 1381 C GLU A 89 -1.278 11.979 4.561 1.00 0.31 C ATOM 1382 O GLU A 89 -0.579 11.912 3.546 1.00 0.32 O ATOM 1383 CB GLU A 89 -0.419 10.765 6.569 1.00 0.37 C ATOM 1384 CG GLU A 89 -0.885 11.438 7.850 1.00 0.43 C ATOM 1385 CD GLU A 89 0.181 12.328 8.461 1.00 0.83 C ATOM 1386 OE1 GLU A 89 0.571 13.319 7.810 1.00 1.46 O ATOM 1387 OE2 GLU A 89 0.625 12.033 9.591 1.00 1.33 O ATOM 0 H GLU A 89 -0.462 9.234 4.458 1.00 0.32 H new ATOM 0 HA GLU A 89 -2.465 10.830 5.911 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -0.138 9.735 6.790 1.00 0.37 H new ATOM 0 HB3 GLU A 89 0.477 11.270 6.208 1.00 0.37 H new ATOM 0 HG2 GLU A 89 -1.774 12.033 7.641 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -1.174 10.675 8.573 1.00 0.43 H new ATOM 1394 N ASN A 90 -1.889 13.088 4.953 1.00 0.33 N ATOM 1395 CA ASN A 90 -1.785 14.334 4.209 1.00 0.36 C ATOM 1396 C ASN A 90 -1.688 15.504 5.181 1.00 0.43 C ATOM 1397 O ASN A 90 -1.817 15.322 6.391 1.00 0.39 O ATOM 1398 CB ASN A 90 -2.994 14.516 3.283 1.00 0.37 C ATOM 1399 CG ASN A 90 -4.273 13.950 3.873 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -4.458 12.734 3.928 1.00 1.54 O ATOM 1401 ND2 ASN A 90 -5.162 14.829 4.319 1.00 0.86 N ATOM 0 H ASN A 90 -2.467 13.149 5.791 1.00 0.33 H new ATOM 0 HA ASN A 90 -0.886 14.300 3.593 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -3.132 15.577 3.077 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -2.792 14.029 2.329 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -6.039 14.505 4.727 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -4.968 15.828 4.254 1.00 0.86 H new ATOM 1408 N GLU A 91 -1.471 16.700 4.656 1.00 0.57 N ATOM 1409 CA GLU A 91 -1.370 17.886 5.497 1.00 0.66 C ATOM 1410 C GLU A 91 -2.725 18.223 6.127 1.00 0.68 C ATOM 1411 O GLU A 91 -2.793 18.955 7.114 1.00 0.75 O ATOM 1412 CB GLU A 91 -0.863 19.076 4.678 1.00 0.76 C ATOM 1413 CG GLU A 91 -0.728 20.359 5.482 1.00 1.15 C ATOM 1414 CD GLU A 91 0.709 20.834 5.586 1.00 1.72 C ATOM 1415 OE1 GLU A 91 1.244 21.332 4.572 1.00 2.34 O ATOM 1416 OE2 GLU A 91 1.300 20.708 6.677 1.00 2.24 O ATOM 0 H GLU A 91 -1.362 16.876 3.657 1.00 0.57 H new ATOM 0 HA GLU A 91 -0.659 17.677 6.297 1.00 0.66 H new ATOM 0 HB2 GLU A 91 0.106 18.823 4.249 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -1.545 19.250 3.846 1.00 0.76 H new ATOM 0 HG2 GLU A 91 -1.332 21.139 5.018 1.00 1.15 H new ATOM 0 HG3 GLU A 91 -1.127 20.199 6.484 1.00 1.15 H new ATOM 1423 N TYR A 92 -3.799 17.700 5.540 1.00 0.64 N ATOM 1424 CA TYR A 92 -5.147 17.965 6.033 1.00 0.68 C ATOM 1425 C TYR A 92 -5.725 16.791 6.831 1.00 0.60 C ATOM 1426 O TYR A 92 -6.864 16.861 7.294 1.00 0.63 O ATOM 1427 CB TYR A 92 -6.075 18.290 4.862 1.00 0.75 C ATOM 1428 CG TYR A 92 -6.395 19.761 4.728 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -5.478 20.730 5.119 1.00 1.64 C ATOM 1430 CD2 TYR A 92 -7.613 20.183 4.211 1.00 1.54 C ATOM 1431 CE1 TYR A 92 -5.767 22.076 5.000 1.00 2.10 C ATOM 1432 CE2 TYR A 92 -7.908 21.527 4.089 1.00 2.05 C ATOM 1433 CZ TYR A 92 -6.979 22.471 4.480 1.00 2.19 C ATOM 1434 OH TYR A 92 -7.276 23.808 4.364 1.00 2.77 O ATOM 0 H TYR A 92 -3.761 17.091 4.723 1.00 0.64 H new ATOM 0 HA TYR A 92 -5.077 18.817 6.709 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -5.614 17.942 3.938 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -7.005 17.735 4.983 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -4.524 20.426 5.523 1.00 1.64 H new ATOM 0 HD2 TYR A 92 -8.341 19.449 3.899 1.00 1.54 H new ATOM 0 HE1 TYR A 92 -5.045 22.815 5.314 1.00 2.10 H new ATOM 0 HE2 TYR A 92 -8.862 21.838 3.689 1.00 2.05 H new ATOM 0 HH TYR A 92 -8.170 23.912 3.977 1.00 2.77 H new ATOM 1444 N GLY A 93 -4.954 15.717 7.000 1.00 0.52 N ATOM 1445 CA GLY A 93 -5.457 14.577 7.755 1.00 0.47 C ATOM 1446 C GLY A 93 -4.805 13.260 7.377 1.00 0.40 C ATOM 1447 O GLY A 93 -4.035 13.188 6.421 1.00 0.40 O ATOM 0 H GLY A 93 -4.007 15.615 6.635 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -5.299 14.758 8.818 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -6.533 14.497 7.601 1.00 0.47 H new ATOM 1451 N SER A 94 -5.121 12.213 8.140 1.00 0.38 N ATOM 1452 CA SER A 94 -4.571 10.883 7.895 1.00 0.34 C ATOM 1453 C SER A 94 -5.681 9.837 7.827 1.00 0.34 C ATOM 1454 O SER A 94 -6.619 9.860 8.623 1.00 0.38 O ATOM 1455 CB SER A 94 -3.571 10.510 8.990 1.00 0.35 C ATOM 1456 OG SER A 94 -4.230 9.965 10.120 1.00 1.04 O ATOM 0 H SER A 94 -5.758 12.263 8.935 1.00 0.38 H new ATOM 0 HA SER A 94 -4.056 10.904 6.934 1.00 0.34 H new ATOM 0 HB2 SER A 94 -2.853 9.788 8.601 1.00 0.35 H new ATOM 0 HB3 SER A 94 -3.005 11.393 9.286 1.00 0.35 H new ATOM 0 HG SER A 94 -3.568 9.733 10.805 1.00 1.04 H new ATOM 1462 N ILE A 95 -5.570 8.922 6.866 1.00 0.32 N ATOM 1463 CA ILE A 95 -6.569 7.871 6.690 1.00 0.34 C ATOM 1464 C ILE A 95 -5.924 6.487 6.733 1.00 0.31 C ATOM 1465 O ILE A 95 -4.738 6.335 6.440 1.00 0.29 O ATOM 1466 CB ILE A 95 -7.343 8.026 5.360 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -7.404 9.502 4.933 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -8.742 7.442 5.500 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -8.397 9.783 3.823 1.00 0.47 C ATOM 0 H ILE A 95 -4.800 8.887 6.199 1.00 0.32 H new ATOM 0 HA ILE A 95 -7.273 7.971 7.516 1.00 0.34 H new ATOM 0 HB ILE A 95 -6.814 7.476 4.581 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.663 10.110 5.800 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -6.412 9.817 4.607 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -9.280 7.556 4.559 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -8.671 6.384 5.752 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -9.278 7.968 6.290 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -8.380 10.845 3.580 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -8.128 9.204 2.939 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -9.398 9.502 4.150 1.00 0.47 H new ATOM 1481 N ASN A 96 -6.713 5.480 7.103 1.00 0.34 N ATOM 1482 CA ASN A 96 -6.215 4.108 7.190 1.00 0.34 C ATOM 1483 C ASN A 96 -7.141 3.131 6.465 1.00 0.34 C ATOM 1484 O ASN A 96 -8.363 3.283 6.489 1.00 0.38 O ATOM 1485 CB ASN A 96 -6.066 3.691 8.654 1.00 0.38 C ATOM 1486 CG ASN A 96 -7.398 3.607 9.370 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -7.918 2.518 9.615 1.00 2.04 O ATOM 1488 ND2 ASN A 96 -7.963 4.761 9.711 1.00 1.12 N ATOM 0 H ASN A 96 -7.698 5.588 7.347 1.00 0.34 H new ATOM 0 HA ASN A 96 -5.240 4.077 6.704 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -5.568 2.723 8.704 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -5.424 4.406 9.169 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -8.861 4.766 10.195 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -7.498 5.642 9.489 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.549 2.117 5.836 1.00 0.32 N ATOM 1496 CA HIS A 97 -7.312 1.100 5.118 1.00 0.34 C ATOM 1497 C HIS A 97 -6.769 -0.298 5.418 1.00 0.33 C ATOM 1498 O HIS A 97 -5.564 -0.529 5.348 1.00 0.33 O ATOM 1499 CB HIS A 97 -7.270 1.359 3.611 1.00 0.36 C ATOM 1500 CG HIS A 97 -7.839 2.686 3.215 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -8.979 3.216 3.781 1.00 1.25 N ATOM 1502 CD2 HIS A 97 -7.420 3.593 2.301 1.00 1.06 C ATOM 1503 CE1 HIS A 97 -9.239 4.389 3.231 1.00 1.06 C ATOM 1504 NE2 HIS A 97 -8.307 4.641 2.331 1.00 0.85 N ATOM 0 H HIS A 97 -5.539 1.979 5.810 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.346 1.155 5.458 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -6.237 1.300 3.269 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -7.821 0.570 3.100 1.00 0.36 H new ATOM 0 HD1 HIS A 97 -9.535 2.772 4.511 1.00 1.25 H new ATOM 0 HD2 HIS A 97 -6.550 3.508 1.667 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -10.072 5.032 3.476 1.00 1.06 H new ATOM 1513 N THR A 98 -7.663 -1.226 5.749 1.00 0.35 N ATOM 1514 CA THR A 98 -7.260 -2.598 6.056 1.00 0.35 C ATOM 1515 C THR A 98 -7.836 -3.585 5.044 1.00 0.35 C ATOM 1516 O THR A 98 -9.008 -3.493 4.674 1.00 0.36 O ATOM 1517 CB THR A 98 -7.713 -3.009 7.470 1.00 0.38 C ATOM 1518 OG1 THR A 98 -7.534 -1.918 8.380 1.00 1.33 O ATOM 1519 CG2 THR A 98 -6.927 -4.218 7.959 1.00 1.36 C ATOM 0 H THR A 98 -8.667 -1.056 5.812 1.00 0.35 H new ATOM 0 HA THR A 98 -6.172 -2.626 6.004 1.00 0.35 H new ATOM 0 HB THR A 98 -8.769 -3.274 7.426 1.00 0.38 H new ATOM 0 HG1 THR A 98 -7.826 -2.188 9.276 1.00 1.33 H new ATOM 0 HG21 THR A 98 -7.264 -4.490 8.959 1.00 1.36 H new ATOM 0 HG22 THR A 98 -7.089 -5.056 7.281 1.00 1.36 H new ATOM 0 HG23 THR A 98 -5.865 -3.974 7.987 1.00 1.36 H new ATOM 1527 N TYR A 99 -7.010 -4.533 4.601 1.00 0.39 N ATOM 1528 CA TYR A 99 -7.450 -5.536 3.636 1.00 0.42 C ATOM 1529 C TYR A 99 -7.013 -6.941 4.069 1.00 0.42 C ATOM 1530 O TYR A 99 -5.963 -7.120 4.688 1.00 0.45 O ATOM 1531 CB TYR A 99 -6.941 -5.205 2.228 1.00 0.53 C ATOM 1532 CG TYR A 99 -6.807 -3.719 1.950 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -5.924 -2.930 2.671 1.00 0.85 C ATOM 1534 CD2 TYR A 99 -7.572 -3.109 0.964 1.00 0.73 C ATOM 1535 CE1 TYR A 99 -5.805 -1.578 2.422 1.00 0.96 C ATOM 1536 CE2 TYR A 99 -7.461 -1.756 0.707 1.00 0.81 C ATOM 1537 CZ TYR A 99 -6.575 -0.994 1.441 1.00 0.81 C ATOM 1538 OH TYR A 99 -6.460 0.354 1.189 1.00 0.96 O ATOM 0 H TYR A 99 -6.038 -4.626 4.894 1.00 0.39 H new ATOM 0 HA TYR A 99 -8.539 -5.521 3.606 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -5.970 -5.680 2.083 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -7.621 -5.641 1.496 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -5.318 -3.382 3.442 1.00 0.85 H new ATOM 0 HD2 TYR A 99 -8.266 -3.703 0.388 1.00 0.73 H new ATOM 0 HE1 TYR A 99 -5.111 -0.980 2.994 1.00 0.96 H new ATOM 0 HE2 TYR A 99 -8.064 -1.298 -0.063 1.00 0.81 H new ATOM 0 HH TYR A 99 -5.694 0.512 0.598 1.00 0.96 H new ATOM 1548 N HIS A 100 -7.876 -7.915 3.792 1.00 0.41 N ATOM 1549 CA HIS A 100 -7.645 -9.305 4.205 1.00 0.44 C ATOM 1550 C HIS A 100 -6.781 -10.130 3.238 1.00 0.42 C ATOM 1551 O HIS A 100 -7.251 -10.592 2.211 1.00 0.45 O ATOM 1552 CB HIS A 100 -8.982 -10.005 4.404 1.00 0.53 C ATOM 1553 CG HIS A 100 -9.836 -9.378 5.462 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -10.913 -10.020 6.038 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -9.770 -8.159 6.049 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -11.471 -9.223 6.932 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -10.795 -8.089 6.960 1.00 1.70 N ATOM 0 H HIS A 100 -8.747 -7.771 3.281 1.00 0.41 H new ATOM 0 HA HIS A 100 -7.080 -9.245 5.135 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -9.528 -10.003 3.460 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -8.801 -11.048 4.666 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -9.046 -7.386 5.839 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -12.334 -9.459 7.537 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -11.001 -7.291 7.561 1.00 1.70 H new ATOM 1566 N LEU A 101 -5.529 -10.375 3.589 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.674 -11.193 2.727 1.00 0.45 C ATOM 1568 C LEU A 101 -4.370 -12.549 3.366 1.00 0.48 C ATOM 1569 O LEU A 101 -4.291 -12.675 4.586 1.00 0.53 O ATOM 1570 CB LEU A 101 -3.368 -10.471 2.378 1.00 0.51 C ATOM 1571 CG LEU A 101 -3.247 -9.031 2.884 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -1.815 -8.533 2.749 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -4.204 -8.121 2.131 1.00 1.63 C ATOM 0 H LEU A 101 -5.085 -10.032 4.441 1.00 0.44 H new ATOM 0 HA LEU A 101 -5.228 -11.363 1.804 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -2.536 -11.049 2.781 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -3.256 -10.466 1.294 1.00 0.51 H new ATOM 0 HG LEU A 101 -3.515 -9.014 3.940 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -1.750 -7.508 3.114 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -1.152 -9.169 3.335 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -1.516 -8.565 1.701 1.00 1.90 H new ATOM 0 HD21 LEU A 101 -4.105 -7.101 2.503 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -3.967 -8.144 1.067 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -5.227 -8.465 2.282 1.00 1.63 H new ATOM 1585 N ASP A 102 -4.216 -13.565 2.526 1.00 0.50 N ATOM 1586 CA ASP A 102 -3.934 -14.914 3.005 1.00 0.57 C ATOM 1587 C ASP A 102 -2.769 -15.539 2.242 1.00 0.54 C ATOM 1588 O ASP A 102 -2.745 -15.531 1.013 1.00 0.53 O ATOM 1589 CB ASP A 102 -5.179 -15.794 2.870 1.00 0.65 C ATOM 1590 CG ASP A 102 -5.157 -16.976 3.819 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -4.613 -18.034 3.437 1.00 2.34 O ATOM 1592 OD2 ASP A 102 -5.683 -16.844 4.943 1.00 1.38 O ATOM 0 H ASP A 102 -4.281 -13.482 1.512 1.00 0.50 H new ATOM 0 HA ASP A 102 -3.655 -14.845 4.056 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -6.068 -15.193 3.063 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -5.255 -16.156 1.845 1.00 0.65 H new ATOM 1597 N VAL A 103 -1.804 -16.082 2.976 1.00 0.63 N ATOM 1598 CA VAL A 103 -0.642 -16.712 2.359 1.00 0.68 C ATOM 1599 C VAL A 103 -0.975 -18.121 1.880 1.00 0.66 C ATOM 1600 O VAL A 103 -1.678 -18.868 2.562 1.00 0.75 O ATOM 1601 CB VAL A 103 0.549 -16.780 3.332 1.00 0.89 C ATOM 1602 CG1 VAL A 103 0.222 -17.676 4.517 1.00 1.56 C ATOM 1603 CG2 VAL A 103 1.796 -17.269 2.611 1.00 1.60 C ATOM 0 H VAL A 103 -1.803 -16.099 3.996 1.00 0.63 H new ATOM 0 HA VAL A 103 -0.364 -16.094 1.505 1.00 0.68 H new ATOM 0 HB VAL A 103 0.745 -15.777 3.711 1.00 0.89 H new ATOM 0 HG11 VAL A 103 1.076 -17.711 5.193 1.00 1.56 H new ATOM 0 HG12 VAL A 103 -0.644 -17.278 5.046 1.00 1.56 H new ATOM 0 HG13 VAL A 103 -0.001 -18.682 4.162 1.00 1.56 H new ATOM 0 HG21 VAL A 103 2.629 -17.311 3.313 1.00 1.60 H new ATOM 0 HG22 VAL A 103 1.614 -18.263 2.203 1.00 1.60 H new ATOM 0 HG23 VAL A 103 2.040 -16.583 1.800 1.00 1.60 H new ATOM 1613 N VAL A 104 -0.465 -18.482 0.706 1.00 0.66 N ATOM 1614 CA VAL A 104 -0.712 -19.804 0.141 1.00 0.73 C ATOM 1615 C VAL A 104 0.595 -20.508 -0.209 1.00 0.83 C ATOM 1616 O VAL A 104 1.560 -19.873 -0.637 1.00 0.84 O ATOM 1617 CB VAL A 104 -1.590 -19.727 -1.123 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -1.988 -21.122 -1.581 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -2.821 -18.869 -0.866 1.00 1.27 C ATOM 0 H VAL A 104 0.121 -17.879 0.129 1.00 0.66 H new ATOM 0 HA VAL A 104 -1.239 -20.375 0.906 1.00 0.73 H new ATOM 0 HB VAL A 104 -1.011 -19.260 -1.919 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -2.608 -21.049 -2.475 1.00 1.44 H new ATOM 0 HG12 VAL A 104 -1.092 -21.700 -1.807 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -2.550 -21.618 -0.790 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -3.429 -18.826 -1.769 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -3.405 -19.305 -0.055 1.00 1.27 H new ATOM 0 HG23 VAL A 104 -2.511 -17.861 -0.589 1.00 1.27 H new