USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 587 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 31 THR OG1 : rot -100:sc= 0.451 USER MOD Set 1.2: A 37 GLN : amide:sc= -2.71! C(o=-2.3!,f=-5.4!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 164:sc= -0.0339 (180deg=-0.316) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0732 USER MOD Single : A 6 SER OG : rot 180:sc=1.64e-05 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.2) USER MOD Single : A 22 ASN : amide:sc= -0.711 X(o=-0.71,f=-0.89) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.41) USER MOD Single : A 33 ASN : amide:sc= -0.288 K(o=-0.29,f=-7.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.964 F(o=-2.2,f=-0.96) USER MOD Single : A 46 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.17) USER MOD Single : A 48 GLN : amide:sc=-0.00738 K(o=-0.0074,f=-0.59) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 164:sc= -0.0654 (180deg=-0.349) USER MOD Single : A 59 GLN : amide:sc= -0.898 X(o=-0.9,f=-0.42) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc=-0.00561 K(o=-0.0056,f=-0.84) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.697 -25.364 5.905 1.00 24.25 N ATOM 2 CA LYS A 1 -0.347 -24.460 5.441 1.00 4.10 C ATOM 3 C LYS A 1 -0.881 -24.931 4.098 1.00 63.40 C ATOM 4 O LYS A 1 -0.109 -25.086 3.154 1.00 44.31 O ATOM 5 CB LYS A 1 0.220 -23.039 5.279 1.00 32.21 C ATOM 6 CG LYS A 1 -0.782 -22.014 4.747 1.00 43.22 C ATOM 7 CD LYS A 1 -1.933 -21.753 5.719 1.00 44.15 C ATOM 8 CE LYS A 1 -1.458 -21.069 6.990 1.00 63.52 C ATOM 9 NZ LYS A 1 -0.834 -19.755 6.707 1.00 51.23 N ATOM 0 H1 LYS A 1 1.057 -25.036 6.824 1.00 24.25 H new ATOM 0 H2 LYS A 1 0.306 -26.322 6.009 1.00 24.25 H new ATOM 0 H3 LYS A 1 1.474 -25.380 5.214 1.00 24.25 H new ATOM 0 HA LYS A 1 -1.152 -24.453 6.176 1.00 4.10 H new ATOM 0 HB2 LYS A 1 0.592 -22.697 6.245 1.00 32.21 H new ATOM 0 HB3 LYS A 1 1.075 -23.077 4.604 1.00 32.21 H new ATOM 0 HG2 LYS A 1 -0.264 -21.077 4.544 1.00 43.22 H new ATOM 0 HG3 LYS A 1 -1.186 -22.366 3.798 1.00 43.22 H new ATOM 0 HD2 LYS A 1 -2.685 -21.132 5.232 1.00 44.15 H new ATOM 0 HD3 LYS A 1 -2.415 -22.697 5.973 1.00 44.15 H new ATOM 0 HE2 LYS A 1 -2.302 -20.933 7.667 1.00 63.52 H new ATOM 0 HE3 LYS A 1 -0.740 -21.710 7.501 1.00 63.52 H new ATOM 0 HZ1 LYS A 1 -0.770 -19.204 7.587 1.00 51.23 H new ATOM 0 HZ2 LYS A 1 0.120 -19.900 6.319 1.00 51.23 H new ATOM 0 HZ3 LYS A 1 -1.414 -19.237 6.016 1.00 51.23 H new ATOM 23 N PRO A 2 -2.201 -25.177 3.987 1.00 44.21 N ATOM 24 CA PRO A 2 -2.810 -25.531 2.722 1.00 45.13 C ATOM 25 C PRO A 2 -2.810 -24.324 1.781 1.00 42.43 C ATOM 26 O PRO A 2 -3.367 -23.259 2.103 1.00 35.15 O ATOM 27 CB PRO A 2 -4.254 -25.928 3.091 1.00 41.22 C ATOM 28 CG PRO A 2 -4.258 -26.067 4.573 1.00 43.21 C ATOM 29 CD PRO A 2 -3.187 -25.151 5.074 1.00 2.32 C ATOM 0 HA PRO A 2 -2.278 -26.332 2.208 1.00 45.13 H new ATOM 0 HB2 PRO A 2 -4.966 -25.169 2.765 1.00 41.22 H new ATOM 0 HB3 PRO A 2 -4.541 -26.862 2.608 1.00 41.22 H new ATOM 0 HG2 PRO A 2 -5.229 -25.796 4.988 1.00 43.21 H new ATOM 0 HG3 PRO A 2 -4.061 -27.097 4.869 1.00 43.21 H new ATOM 0 HD2 PRO A 2 -3.566 -24.145 5.252 1.00 2.32 H new ATOM 0 HD3 PRO A 2 -2.762 -25.502 6.014 1.00 2.32 H new ATOM 37 N VAL A 3 -2.186 -24.485 0.639 1.00 14.24 N ATOM 38 CA VAL A 3 -2.062 -23.417 -0.353 1.00 11.21 C ATOM 39 C VAL A 3 -3.350 -23.249 -1.172 1.00 34.25 C ATOM 40 O VAL A 3 -3.453 -22.383 -2.046 1.00 3.14 O ATOM 41 CB VAL A 3 -0.852 -23.649 -1.296 1.00 41.11 C ATOM 42 CG1 VAL A 3 0.444 -23.643 -0.503 1.00 5.32 C ATOM 43 CG2 VAL A 3 -0.998 -24.961 -2.061 1.00 44.11 C ATOM 0 H VAL A 3 -1.744 -25.361 0.360 1.00 14.24 H new ATOM 0 HA VAL A 3 -1.890 -22.495 0.202 1.00 11.21 H new ATOM 0 HB VAL A 3 -0.826 -22.835 -2.020 1.00 41.11 H new ATOM 0 HG11 VAL A 3 1.284 -23.807 -1.178 1.00 5.32 H new ATOM 0 HG12 VAL A 3 0.561 -22.681 -0.005 1.00 5.32 H new ATOM 0 HG13 VAL A 3 0.418 -24.437 0.243 1.00 5.32 H new ATOM 0 HG21 VAL A 3 -0.137 -25.099 -2.715 1.00 44.11 H new ATOM 0 HG22 VAL A 3 -1.054 -25.790 -1.355 1.00 44.11 H new ATOM 0 HG23 VAL A 3 -1.908 -24.933 -2.661 1.00 44.11 H new ATOM 53 N SER A 4 -4.324 -24.062 -0.856 1.00 32.41 N ATOM 54 CA SER A 4 -5.620 -24.060 -1.489 1.00 44.21 C ATOM 55 C SER A 4 -6.565 -23.014 -0.843 1.00 15.30 C ATOM 56 O SER A 4 -7.792 -23.173 -0.846 1.00 44.04 O ATOM 57 CB SER A 4 -6.176 -25.474 -1.374 1.00 74.45 C ATOM 58 OG SER A 4 -6.003 -25.967 -0.045 1.00 22.41 O ATOM 0 H SER A 4 -4.235 -24.769 -0.126 1.00 32.41 H new ATOM 0 HA SER A 4 -5.535 -23.773 -2.537 1.00 44.21 H new ATOM 0 HB2 SER A 4 -7.234 -25.479 -1.636 1.00 74.45 H new ATOM 0 HB3 SER A 4 -5.669 -26.130 -2.082 1.00 74.45 H new ATOM 0 HG SER A 4 -6.366 -26.875 0.017 1.00 22.41 H new ATOM 64 N LEU A 5 -5.986 -21.928 -0.356 1.00 0.13 N ATOM 65 CA LEU A 5 -6.726 -20.847 0.272 1.00 25.44 C ATOM 66 C LEU A 5 -7.467 -20.054 -0.828 1.00 40.14 C ATOM 67 O LEU A 5 -7.003 -19.995 -1.981 1.00 12.33 O ATOM 68 CB LEU A 5 -5.730 -19.979 1.115 1.00 51.40 C ATOM 69 CG LEU A 5 -6.277 -18.852 2.037 1.00 62.41 C ATOM 70 CD1 LEU A 5 -5.178 -18.396 2.980 1.00 71.23 C ATOM 71 CD2 LEU A 5 -6.755 -17.647 1.249 1.00 22.34 C ATOM 0 H LEU A 5 -4.979 -21.771 -0.386 1.00 0.13 H new ATOM 0 HA LEU A 5 -7.484 -21.215 0.963 1.00 25.44 H new ATOM 0 HB2 LEU A 5 -5.154 -20.661 1.741 1.00 51.40 H new ATOM 0 HB3 LEU A 5 -5.030 -19.518 0.418 1.00 51.40 H new ATOM 0 HG LEU A 5 -7.125 -19.265 2.584 1.00 62.41 H new ATOM 0 HD11 LEU A 5 -5.559 -17.606 3.627 1.00 71.23 H new ATOM 0 HD12 LEU A 5 -4.849 -19.238 3.589 1.00 71.23 H new ATOM 0 HD13 LEU A 5 -4.336 -18.016 2.401 1.00 71.23 H new ATOM 0 HD21 LEU A 5 -7.128 -16.887 1.936 1.00 22.34 H new ATOM 0 HD22 LEU A 5 -5.926 -17.238 0.671 1.00 22.34 H new ATOM 0 HD23 LEU A 5 -7.555 -17.948 0.573 1.00 22.34 H new ATOM 83 N SER A 6 -8.621 -19.511 -0.488 1.00 33.22 N ATOM 84 CA SER A 6 -9.465 -18.785 -1.424 1.00 70.21 C ATOM 85 C SER A 6 -8.803 -17.463 -1.890 1.00 23.30 C ATOM 86 O SER A 6 -8.748 -16.477 -1.130 1.00 75.01 O ATOM 87 CB SER A 6 -10.794 -18.477 -0.733 1.00 51.33 C ATOM 88 OG SER A 6 -11.327 -19.646 -0.120 1.00 61.44 O ATOM 0 H SER A 6 -9.005 -19.561 0.456 1.00 33.22 H new ATOM 0 HA SER A 6 -9.619 -19.403 -2.309 1.00 70.21 H new ATOM 0 HB2 SER A 6 -10.647 -17.701 0.019 1.00 51.33 H new ATOM 0 HB3 SER A 6 -11.505 -18.086 -1.460 1.00 51.33 H new ATOM 0 HG SER A 6 -12.176 -19.428 0.318 1.00 61.44 H new ATOM 94 N TYR A 7 -8.284 -17.454 -3.108 1.00 62.30 N ATOM 95 CA TYR A 7 -7.682 -16.261 -3.664 1.00 31.55 C ATOM 96 C TYR A 7 -8.401 -15.814 -4.923 1.00 60.53 C ATOM 97 O TYR A 7 -8.551 -16.589 -5.872 1.00 72.44 O ATOM 98 CB TYR A 7 -6.187 -16.447 -4.001 1.00 1.21 C ATOM 99 CG TYR A 7 -5.234 -16.597 -2.831 1.00 34.43 C ATOM 100 CD1 TYR A 7 -4.802 -15.485 -2.130 1.00 21.12 C ATOM 101 CD2 TYR A 7 -4.740 -17.841 -2.452 1.00 24.12 C ATOM 102 CE1 TYR A 7 -3.914 -15.598 -1.080 1.00 24.20 C ATOM 103 CE2 TYR A 7 -3.845 -17.960 -1.403 1.00 33.12 C ATOM 104 CZ TYR A 7 -3.436 -16.831 -0.722 1.00 33.44 C ATOM 105 OH TYR A 7 -2.543 -16.938 0.321 1.00 5.01 O ATOM 0 H TYR A 7 -8.270 -18.263 -3.728 1.00 62.30 H new ATOM 0 HA TYR A 7 -7.774 -15.501 -2.888 1.00 31.55 H new ATOM 0 HB2 TYR A 7 -6.089 -17.329 -4.634 1.00 1.21 H new ATOM 0 HB3 TYR A 7 -5.864 -15.592 -4.594 1.00 1.21 H new ATOM 0 HD1 TYR A 7 -5.168 -14.508 -2.411 1.00 21.12 H new ATOM 0 HD2 TYR A 7 -5.059 -18.726 -2.983 1.00 24.12 H new ATOM 0 HE1 TYR A 7 -3.597 -14.717 -0.542 1.00 24.20 H new ATOM 0 HE2 TYR A 7 -3.468 -18.931 -1.119 1.00 33.12 H new ATOM 0 HH TYR A 7 -2.301 -17.879 0.450 1.00 5.01 H new ATOM 115 N ARG A 8 -8.876 -14.596 -4.906 1.00 2.33 N ATOM 116 CA ARG A 8 -9.415 -13.953 -6.094 1.00 75.55 C ATOM 117 C ARG A 8 -8.770 -12.585 -6.227 1.00 23.22 C ATOM 118 O ARG A 8 -8.841 -11.934 -7.272 1.00 54.25 O ATOM 119 CB ARG A 8 -10.943 -13.779 -6.024 1.00 75.05 C ATOM 120 CG ARG A 8 -11.419 -12.859 -4.911 1.00 64.44 C ATOM 121 CD ARG A 8 -12.915 -12.593 -5.002 1.00 53.13 C ATOM 122 NE ARG A 8 -13.282 -11.880 -6.245 1.00 30.04 N ATOM 123 CZ ARG A 8 -14.532 -11.514 -6.580 1.00 4.10 C ATOM 124 NH1 ARG A 8 -15.555 -11.830 -5.794 1.00 23.21 N ATOM 125 NH2 ARG A 8 -14.755 -10.846 -7.712 1.00 3.33 N ATOM 0 H ARG A 8 -8.904 -14.013 -4.069 1.00 2.33 H new ATOM 0 HA ARG A 8 -9.196 -14.587 -6.953 1.00 75.55 H new ATOM 0 HB2 ARG A 8 -11.296 -13.388 -6.978 1.00 75.05 H new ATOM 0 HB3 ARG A 8 -11.402 -14.758 -5.891 1.00 75.05 H new ATOM 0 HG2 ARG A 8 -11.187 -13.307 -3.945 1.00 64.44 H new ATOM 0 HG3 ARG A 8 -10.878 -11.914 -4.963 1.00 64.44 H new ATOM 0 HD2 ARG A 8 -13.454 -13.539 -4.956 1.00 53.13 H new ATOM 0 HD3 ARG A 8 -13.230 -12.004 -4.141 1.00 53.13 H new ATOM 0 HE ARG A 8 -12.532 -11.649 -6.896 1.00 30.04 H new ATOM 0 HH11 ARG A 8 -15.394 -12.352 -4.933 1.00 23.21 H new ATOM 0 HH12 ARG A 8 -16.501 -11.550 -6.052 1.00 23.21 H new ATOM 0 HH21 ARG A 8 -13.976 -10.611 -8.327 1.00 3.33 H new ATOM 0 HH22 ARG A 8 -15.704 -10.570 -7.963 1.00 3.33 H new ATOM 139 N CYS A 9 -8.143 -12.156 -5.154 1.00 55.12 N ATOM 140 CA CYS A 9 -7.545 -10.865 -5.092 1.00 74.54 C ATOM 141 C CYS A 9 -6.048 -10.992 -5.012 1.00 33.24 C ATOM 142 O CYS A 9 -5.539 -11.944 -4.402 1.00 1.51 O ATOM 143 CB CYS A 9 -8.069 -10.113 -3.873 1.00 63.32 C ATOM 144 SG CYS A 9 -9.873 -9.915 -3.869 1.00 51.22 S ATOM 0 H CYS A 9 -8.040 -12.706 -4.301 1.00 55.12 H new ATOM 0 HA CYS A 9 -7.803 -10.310 -5.994 1.00 74.54 H new ATOM 0 HB2 CYS A 9 -7.767 -10.644 -2.970 1.00 63.32 H new ATOM 0 HB3 CYS A 9 -7.603 -9.129 -3.835 1.00 63.32 H new ATOM 149 N PRO A 10 -5.320 -10.063 -5.660 1.00 33.10 N ATOM 150 CA PRO A 10 -3.849 -10.008 -5.612 1.00 71.12 C ATOM 151 C PRO A 10 -3.329 -10.058 -4.174 1.00 32.42 C ATOM 152 O PRO A 10 -2.344 -10.743 -3.875 1.00 23.35 O ATOM 153 CB PRO A 10 -3.534 -8.653 -6.251 1.00 60.42 C ATOM 154 CG PRO A 10 -4.664 -8.414 -7.189 1.00 12.31 C ATOM 155 CD PRO A 10 -5.880 -9.002 -6.529 1.00 53.31 C ATOM 0 HA PRO A 10 -3.380 -10.851 -6.119 1.00 71.12 H new ATOM 0 HB2 PRO A 10 -3.468 -7.866 -5.500 1.00 60.42 H new ATOM 0 HB3 PRO A 10 -2.579 -8.674 -6.776 1.00 60.42 H new ATOM 0 HG2 PRO A 10 -4.798 -7.348 -7.376 1.00 12.31 H new ATOM 0 HG3 PRO A 10 -4.477 -8.885 -8.154 1.00 12.31 H new ATOM 0 HD2 PRO A 10 -6.424 -8.255 -5.951 1.00 53.31 H new ATOM 0 HD3 PRO A 10 -6.577 -9.409 -7.261 1.00 53.31 H new ATOM 163 N CYS A 11 -4.006 -9.361 -3.289 1.00 24.23 N ATOM 164 CA CYS A 11 -3.635 -9.356 -1.905 1.00 72.11 C ATOM 165 C CYS A 11 -4.793 -9.704 -1.010 1.00 75.53 C ATOM 166 O CYS A 11 -5.650 -8.877 -0.732 1.00 14.32 O ATOM 167 CB CYS A 11 -3.003 -8.038 -1.497 1.00 65.02 C ATOM 168 SG CYS A 11 -1.388 -7.728 -2.269 1.00 44.22 S ATOM 0 H CYS A 11 -4.821 -8.789 -3.512 1.00 24.23 H new ATOM 0 HA CYS A 11 -2.883 -10.135 -1.780 1.00 72.11 H new ATOM 0 HB2 CYS A 11 -3.681 -7.225 -1.757 1.00 65.02 H new ATOM 0 HB3 CYS A 11 -2.886 -8.022 -0.413 1.00 65.02 H new ATOM 173 N ARG A 12 -4.839 -10.949 -0.603 1.00 24.22 N ATOM 174 CA ARG A 12 -5.844 -11.419 0.322 1.00 3.12 C ATOM 175 C ARG A 12 -5.365 -11.046 1.719 1.00 34.22 C ATOM 176 O ARG A 12 -6.148 -10.634 2.584 1.00 35.41 O ATOM 177 CB ARG A 12 -6.001 -12.963 0.158 1.00 45.20 C ATOM 178 CG ARG A 12 -7.153 -13.655 0.930 1.00 35.20 C ATOM 179 CD ARG A 12 -6.992 -13.601 2.444 1.00 52.52 C ATOM 180 NE ARG A 12 -8.063 -14.297 3.151 1.00 31.43 N ATOM 181 CZ ARG A 12 -8.411 -14.067 4.414 1.00 55.53 C ATOM 182 NH1 ARG A 12 -7.802 -13.120 5.109 1.00 1.03 N ATOM 183 NH2 ARG A 12 -9.363 -14.790 4.985 1.00 51.33 N ATOM 0 H ARG A 12 -4.180 -11.667 -0.904 1.00 24.22 H new ATOM 0 HA ARG A 12 -6.820 -10.969 0.138 1.00 3.12 H new ATOM 0 HB2 ARG A 12 -6.132 -13.176 -0.903 1.00 45.20 H new ATOM 0 HB3 ARG A 12 -5.065 -13.430 0.463 1.00 45.20 H new ATOM 0 HG2 ARG A 12 -8.097 -13.184 0.656 1.00 35.20 H new ATOM 0 HG3 ARG A 12 -7.215 -14.697 0.617 1.00 35.20 H new ATOM 0 HD2 ARG A 12 -6.034 -14.043 2.719 1.00 52.52 H new ATOM 0 HD3 ARG A 12 -6.967 -12.560 2.765 1.00 52.52 H new ATOM 0 HE ARG A 12 -8.582 -15.011 2.640 1.00 31.43 H new ATOM 0 HH11 ARG A 12 -7.064 -12.565 4.676 1.00 1.03 H new ATOM 0 HH12 ARG A 12 -8.071 -12.945 6.077 1.00 1.03 H new ATOM 0 HH21 ARG A 12 -9.831 -15.526 4.456 1.00 51.33 H new ATOM 0 HH22 ARG A 12 -9.628 -14.611 5.954 1.00 51.33 H new ATOM 197 N PHE A 13 -4.076 -11.178 1.918 1.00 55.43 N ATOM 198 CA PHE A 13 -3.459 -10.859 3.172 1.00 51.43 C ATOM 199 C PHE A 13 -2.664 -9.581 3.031 1.00 32.25 C ATOM 200 O PHE A 13 -2.161 -9.273 1.951 1.00 1.35 O ATOM 201 CB PHE A 13 -2.548 -12.010 3.660 1.00 54.02 C ATOM 202 CG PHE A 13 -1.366 -12.318 2.765 1.00 21.33 C ATOM 203 CD1 PHE A 13 -1.505 -13.134 1.657 1.00 12.22 C ATOM 204 CD2 PHE A 13 -0.112 -11.794 3.048 1.00 45.32 C ATOM 205 CE1 PHE A 13 -0.424 -13.417 0.848 1.00 2.33 C ATOM 206 CE2 PHE A 13 0.972 -12.071 2.243 1.00 22.43 C ATOM 207 CZ PHE A 13 0.817 -12.884 1.141 1.00 35.45 C ATOM 0 H PHE A 13 -3.426 -11.512 1.207 1.00 55.43 H new ATOM 0 HA PHE A 13 -4.241 -10.720 3.918 1.00 51.43 H new ATOM 0 HB2 PHE A 13 -2.176 -11.762 4.654 1.00 54.02 H new ATOM 0 HB3 PHE A 13 -3.152 -12.912 3.762 1.00 54.02 H new ATOM 0 HD1 PHE A 13 -2.472 -13.555 1.422 1.00 12.22 H new ATOM 0 HD2 PHE A 13 0.016 -11.159 3.912 1.00 45.32 H new ATOM 0 HE1 PHE A 13 -0.548 -14.055 -0.014 1.00 2.33 H new ATOM 0 HE2 PHE A 13 1.940 -11.652 2.475 1.00 22.43 H new ATOM 0 HZ PHE A 13 1.664 -13.104 0.508 1.00 35.45 H new ATOM 217 N PHE A 14 -2.578 -8.847 4.093 1.00 5.22 N ATOM 218 CA PHE A 14 -1.827 -7.620 4.139 1.00 22.44 C ATOM 219 C PHE A 14 -1.026 -7.619 5.412 1.00 31.23 C ATOM 220 O PHE A 14 -1.429 -8.231 6.405 1.00 61.21 O ATOM 221 CB PHE A 14 -2.760 -6.413 4.169 1.00 72.34 C ATOM 222 CG PHE A 14 -3.757 -6.312 3.052 1.00 74.22 C ATOM 223 CD1 PHE A 14 -3.422 -5.718 1.856 1.00 64.02 C ATOM 224 CD2 PHE A 14 -5.046 -6.799 3.215 1.00 51.30 C ATOM 225 CE1 PHE A 14 -4.346 -5.607 0.840 1.00 2.44 C ATOM 226 CE2 PHE A 14 -5.975 -6.695 2.201 1.00 11.13 C ATOM 227 CZ PHE A 14 -5.625 -6.097 1.012 1.00 73.12 C ATOM 0 H PHE A 14 -3.035 -9.083 4.974 1.00 5.22 H new ATOM 0 HA PHE A 14 -1.191 -7.556 3.256 1.00 22.44 H new ATOM 0 HB2 PHE A 14 -3.305 -6.426 5.113 1.00 72.34 H new ATOM 0 HB3 PHE A 14 -2.150 -5.510 4.165 1.00 72.34 H new ATOM 0 HD1 PHE A 14 -2.423 -5.334 1.712 1.00 64.02 H new ATOM 0 HD2 PHE A 14 -5.325 -7.266 4.148 1.00 51.30 H new ATOM 0 HE1 PHE A 14 -4.069 -5.136 -0.092 1.00 2.44 H new ATOM 0 HE2 PHE A 14 -6.974 -7.082 2.340 1.00 11.13 H new ATOM 0 HZ PHE A 14 -6.349 -6.011 0.215 1.00 73.12 H new ATOM 237 N GLU A 15 0.087 -6.987 5.382 1.00 44.24 N ATOM 238 CA GLU A 15 0.869 -6.806 6.518 1.00 12.25 C ATOM 239 C GLU A 15 0.479 -5.479 7.141 1.00 41.52 C ATOM 240 O GLU A 15 0.320 -4.469 6.436 1.00 3.31 O ATOM 241 CB GLU A 15 2.330 -6.819 6.112 1.00 71.51 C ATOM 242 CG GLU A 15 3.298 -6.578 7.232 1.00 52.20 C ATOM 243 CD GLU A 15 3.163 -7.568 8.352 1.00 30.03 C ATOM 244 OE1 GLU A 15 2.319 -7.350 9.247 1.00 61.42 O ATOM 245 OE2 GLU A 15 3.899 -8.575 8.361 1.00 72.25 O ATOM 0 H GLU A 15 0.479 -6.574 4.536 1.00 44.24 H new ATOM 0 HA GLU A 15 0.713 -7.602 7.246 1.00 12.25 H new ATOM 0 HB2 GLU A 15 2.557 -7.783 5.656 1.00 71.51 H new ATOM 0 HB3 GLU A 15 2.486 -6.059 5.346 1.00 71.51 H new ATOM 0 HG2 GLU A 15 4.314 -6.618 6.840 1.00 52.20 H new ATOM 0 HG3 GLU A 15 3.147 -5.572 7.624 1.00 52.20 H new ATOM 252 N SER A 16 0.292 -5.484 8.424 1.00 15.14 N ATOM 253 CA SER A 16 -0.085 -4.307 9.136 1.00 21.45 C ATOM 254 C SER A 16 1.023 -3.883 10.096 1.00 12.22 C ATOM 255 O SER A 16 1.026 -2.780 10.618 1.00 51.13 O ATOM 256 CB SER A 16 -1.402 -4.551 9.866 1.00 43.23 C ATOM 257 OG SER A 16 -1.315 -5.712 10.684 1.00 31.44 O ATOM 0 H SER A 16 0.398 -6.312 9.010 1.00 15.14 H new ATOM 0 HA SER A 16 -0.232 -3.488 8.432 1.00 21.45 H new ATOM 0 HB2 SER A 16 -1.649 -3.685 10.480 1.00 43.23 H new ATOM 0 HB3 SER A 16 -2.208 -4.669 9.142 1.00 43.23 H new ATOM 0 HG SER A 16 -2.168 -5.852 11.146 1.00 31.44 H new ATOM 263 N HIS A 17 1.990 -4.750 10.294 1.00 71.14 N ATOM 264 CA HIS A 17 3.097 -4.471 11.196 1.00 74.22 C ATOM 265 C HIS A 17 4.225 -3.759 10.410 1.00 3.54 C ATOM 266 O HIS A 17 5.395 -3.794 10.784 1.00 53.34 O ATOM 267 CB HIS A 17 3.582 -5.804 11.802 1.00 71.23 C ATOM 268 CG HIS A 17 4.553 -5.635 12.920 1.00 14.43 C ATOM 269 ND1 HIS A 17 5.870 -5.988 12.835 1.00 12.52 N ATOM 270 CD2 HIS A 17 4.379 -5.131 14.158 1.00 25.45 C ATOM 271 CE1 HIS A 17 6.465 -5.707 13.963 1.00 2.32 C ATOM 272 NE2 HIS A 17 5.581 -5.185 14.785 1.00 31.10 N ATOM 0 H HIS A 17 2.037 -5.663 9.841 1.00 71.14 H new ATOM 0 HA HIS A 17 2.786 -3.813 12.007 1.00 74.22 H new ATOM 0 HB2 HIS A 17 2.719 -6.364 12.163 1.00 71.23 H new ATOM 0 HB3 HIS A 17 4.045 -6.403 11.018 1.00 71.23 H new ATOM 0 HD2 HIS A 17 3.456 -4.755 14.573 1.00 25.45 H new ATOM 0 HE1 HIS A 17 7.509 -5.875 14.184 1.00 2.32 H new ATOM 0 HE2 HIS A 17 5.768 -4.872 15.738 1.00 31.10 H new ATOM 281 N VAL A 18 3.836 -3.055 9.364 1.00 60.30 N ATOM 282 CA VAL A 18 4.779 -2.411 8.476 1.00 73.03 C ATOM 283 C VAL A 18 5.323 -1.111 9.073 1.00 64.54 C ATOM 284 O VAL A 18 4.590 -0.362 9.747 1.00 5.43 O ATOM 285 CB VAL A 18 4.159 -2.085 7.100 1.00 15.34 C ATOM 286 CG1 VAL A 18 5.230 -1.652 6.119 1.00 44.21 C ATOM 287 CG2 VAL A 18 3.382 -3.246 6.549 1.00 61.13 C ATOM 0 H VAL A 18 2.859 -2.915 9.108 1.00 60.30 H new ATOM 0 HA VAL A 18 5.591 -3.127 8.345 1.00 73.03 H new ATOM 0 HB VAL A 18 3.461 -1.260 7.245 1.00 15.34 H new ATOM 0 HG11 VAL A 18 4.772 -1.427 5.156 1.00 44.21 H new ATOM 0 HG12 VAL A 18 5.733 -0.762 6.498 1.00 44.21 H new ATOM 0 HG13 VAL A 18 5.957 -2.455 5.996 1.00 44.21 H new ATOM 0 HG21 VAL A 18 2.962 -2.976 5.580 1.00 61.13 H new ATOM 0 HG22 VAL A 18 4.044 -4.104 6.431 1.00 61.13 H new ATOM 0 HG23 VAL A 18 2.575 -3.502 7.235 1.00 61.13 H new ATOM 297 N ALA A 19 6.597 -0.870 8.842 1.00 53.21 N ATOM 298 CA ALA A 19 7.261 0.346 9.242 1.00 63.13 C ATOM 299 C ALA A 19 7.635 1.157 7.991 1.00 4.15 C ATOM 300 O ALA A 19 8.182 0.603 7.022 1.00 11.44 O ATOM 301 CB ALA A 19 8.503 0.010 10.053 1.00 30.23 C ATOM 0 H ALA A 19 7.209 -1.529 8.361 1.00 53.21 H new ATOM 0 HA ALA A 19 6.594 0.943 9.863 1.00 63.13 H new ATOM 0 HB1 ALA A 19 9.002 0.931 10.353 1.00 30.23 H new ATOM 0 HB2 ALA A 19 8.216 -0.553 10.941 1.00 30.23 H new ATOM 0 HB3 ALA A 19 9.182 -0.589 9.447 1.00 30.23 H new ATOM 307 N ARG A 20 7.344 2.454 8.018 1.00 1.41 N ATOM 308 CA ARG A 20 7.604 3.380 6.895 1.00 3.25 C ATOM 309 C ARG A 20 9.078 3.381 6.455 1.00 4.54 C ATOM 310 O ARG A 20 9.376 3.445 5.265 1.00 2.40 O ATOM 311 CB ARG A 20 7.184 4.810 7.296 1.00 24.10 C ATOM 312 CG ARG A 20 7.518 5.895 6.274 1.00 34.11 C ATOM 313 CD ARG A 20 6.737 5.734 4.991 1.00 64.33 C ATOM 314 NE ARG A 20 7.140 6.712 3.988 1.00 63.24 N ATOM 315 CZ ARG A 20 6.396 7.733 3.558 1.00 62.03 C ATOM 316 NH1 ARG A 20 5.201 7.984 4.111 1.00 63.02 N ATOM 317 NH2 ARG A 20 6.853 8.511 2.590 1.00 62.21 N ATOM 0 H ARG A 20 6.916 2.907 8.825 1.00 1.41 H new ATOM 0 HA ARG A 20 7.014 3.032 6.047 1.00 3.25 H new ATOM 0 HB2 ARG A 20 6.109 4.819 7.474 1.00 24.10 H new ATOM 0 HB3 ARG A 20 7.666 5.062 8.241 1.00 24.10 H new ATOM 0 HG2 ARG A 20 7.307 6.874 6.705 1.00 34.11 H new ATOM 0 HG3 ARG A 20 8.585 5.867 6.053 1.00 34.11 H new ATOM 0 HD2 ARG A 20 6.885 4.728 4.599 1.00 64.33 H new ATOM 0 HD3 ARG A 20 5.672 5.842 5.197 1.00 64.33 H new ATOM 0 HE ARG A 20 8.069 6.607 3.580 1.00 63.24 H new ATOM 0 HH11 ARG A 20 4.854 7.393 4.866 1.00 63.02 H new ATOM 0 HH12 ARG A 20 4.638 8.766 3.777 1.00 63.02 H new ATOM 0 HH21 ARG A 20 7.768 8.328 2.178 1.00 62.21 H new ATOM 0 HH22 ARG A 20 6.290 9.293 2.256 1.00 62.21 H new ATOM 331 N ALA A 21 9.978 3.309 7.402 1.00 73.41 N ATOM 332 CA ALA A 21 11.394 3.373 7.098 1.00 42.12 C ATOM 333 C ALA A 21 11.947 2.027 6.657 1.00 30.54 C ATOM 334 O ALA A 21 13.063 1.949 6.138 1.00 10.34 O ATOM 335 CB ALA A 21 12.170 3.899 8.297 1.00 63.25 C ATOM 0 H ALA A 21 9.760 3.206 8.393 1.00 73.41 H new ATOM 0 HA ALA A 21 11.516 4.062 6.263 1.00 42.12 H new ATOM 0 HB1 ALA A 21 13.232 3.941 8.053 1.00 63.25 H new ATOM 0 HB2 ALA A 21 11.816 4.898 8.550 1.00 63.25 H new ATOM 0 HB3 ALA A 21 12.019 3.235 9.148 1.00 63.25 H new ATOM 341 N ASN A 22 11.173 0.976 6.825 1.00 24.04 N ATOM 342 CA ASN A 22 11.660 -0.364 6.510 1.00 54.40 C ATOM 343 C ASN A 22 11.371 -0.727 5.051 1.00 11.24 C ATOM 344 O ASN A 22 12.053 -1.567 4.455 1.00 64.24 O ATOM 345 CB ASN A 22 11.029 -1.397 7.449 1.00 64.30 C ATOM 346 CG ASN A 22 11.629 -2.784 7.294 1.00 52.32 C ATOM 347 OD1 ASN A 22 12.799 -2.939 6.971 1.00 2.34 O ATOM 348 ND2 ASN A 22 10.840 -3.788 7.524 1.00 3.44 N ATOM 0 H ASN A 22 10.215 1.014 7.173 1.00 24.04 H new ATOM 0 HA ASN A 22 12.740 -0.371 6.654 1.00 54.40 H new ATOM 0 HB2 ASN A 22 11.153 -1.066 8.480 1.00 64.30 H new ATOM 0 HB3 ASN A 22 9.957 -1.447 7.257 1.00 64.30 H new ATOM 0 HD21 ASN A 22 11.190 -4.742 7.437 1.00 3.44 H new ATOM 0 HD22 ASN A 22 9.870 -3.623 7.792 1.00 3.44 H new ATOM 355 N VAL A 23 10.371 -0.094 4.477 1.00 60.33 N ATOM 356 CA VAL A 23 10.008 -0.343 3.118 1.00 10.14 C ATOM 357 C VAL A 23 10.883 0.435 2.141 1.00 54.21 C ATOM 358 O VAL A 23 11.259 1.585 2.392 1.00 33.03 O ATOM 359 CB VAL A 23 8.515 -0.060 2.856 1.00 14.42 C ATOM 360 CG1 VAL A 23 7.651 -1.054 3.599 1.00 12.24 C ATOM 361 CG2 VAL A 23 8.140 1.365 3.247 1.00 52.11 C ATOM 0 H VAL A 23 9.794 0.604 4.946 1.00 60.33 H new ATOM 0 HA VAL A 23 10.180 -1.406 2.946 1.00 10.14 H new ATOM 0 HB VAL A 23 8.339 -0.169 1.786 1.00 14.42 H new ATOM 0 HG11 VAL A 23 6.600 -0.840 3.403 1.00 12.24 H new ATOM 0 HG12 VAL A 23 7.885 -2.064 3.261 1.00 12.24 H new ATOM 0 HG13 VAL A 23 7.844 -0.976 4.669 1.00 12.24 H new ATOM 0 HG21 VAL A 23 7.081 1.530 3.049 1.00 52.11 H new ATOM 0 HG22 VAL A 23 8.338 1.515 4.308 1.00 52.11 H new ATOM 0 HG23 VAL A 23 8.732 2.070 2.664 1.00 52.11 H new ATOM 371 N LYS A 24 11.220 -0.211 1.052 1.00 2.32 N ATOM 372 CA LYS A 24 12.037 0.382 0.011 1.00 4.12 C ATOM 373 C LYS A 24 11.176 1.017 -1.046 1.00 44.41 C ATOM 374 O LYS A 24 11.538 2.032 -1.646 1.00 4.11 O ATOM 375 CB LYS A 24 12.887 -0.689 -0.682 1.00 1.52 C ATOM 376 CG LYS A 24 12.055 -1.801 -1.321 1.00 43.12 C ATOM 377 CD LYS A 24 12.820 -2.630 -2.302 1.00 51.50 C ATOM 378 CE LYS A 24 13.319 -1.769 -3.435 1.00 72.42 C ATOM 379 NZ LYS A 24 14.034 -2.564 -4.454 1.00 61.21 N ATOM 0 H LYS A 24 10.935 -1.171 0.857 1.00 2.32 H new ATOM 0 HA LYS A 24 12.671 1.130 0.488 1.00 4.12 H new ATOM 0 HB2 LYS A 24 13.500 -0.216 -1.450 1.00 1.52 H new ATOM 0 HB3 LYS A 24 13.570 -1.128 0.045 1.00 1.52 H new ATOM 0 HG2 LYS A 24 11.665 -2.449 -0.536 1.00 43.12 H new ATOM 0 HG3 LYS A 24 11.196 -1.358 -1.824 1.00 43.12 H new ATOM 0 HD2 LYS A 24 13.661 -3.112 -1.804 1.00 51.50 H new ATOM 0 HD3 LYS A 24 12.184 -3.424 -2.692 1.00 51.50 H new ATOM 0 HE2 LYS A 24 12.477 -1.256 -3.899 1.00 72.42 H new ATOM 0 HE3 LYS A 24 13.984 -1.000 -3.042 1.00 72.42 H new ATOM 0 HZ1 LYS A 24 14.362 -1.937 -5.216 1.00 61.21 H new ATOM 0 HZ2 LYS A 24 14.852 -3.034 -4.016 1.00 61.21 H new ATOM 0 HZ3 LYS A 24 13.392 -3.282 -4.848 1.00 61.21 H new ATOM 393 N HIS A 25 10.035 0.430 -1.267 1.00 70.33 N ATOM 394 CA HIS A 25 9.231 0.769 -2.397 1.00 51.42 C ATOM 395 C HIS A 25 7.796 0.363 -2.189 1.00 4.04 C ATOM 396 O HIS A 25 7.505 -0.814 -1.974 1.00 11.40 O ATOM 397 CB HIS A 25 9.837 0.054 -3.619 1.00 71.05 C ATOM 398 CG HIS A 25 9.082 0.164 -4.904 1.00 12.04 C ATOM 399 ND1 HIS A 25 8.633 1.341 -5.450 1.00 21.51 N ATOM 400 CD2 HIS A 25 8.691 -0.803 -5.734 1.00 32.34 C ATOM 401 CE1 HIS A 25 7.988 1.084 -6.564 1.00 0.34 C ATOM 402 NE2 HIS A 25 8.007 -0.217 -6.766 1.00 73.45 N ATOM 0 H HIS A 25 9.640 -0.295 -0.668 1.00 70.33 H new ATOM 0 HA HIS A 25 9.227 1.848 -2.548 1.00 51.42 H new ATOM 0 HB2 HIS A 25 10.841 0.447 -3.780 1.00 71.05 H new ATOM 0 HB3 HIS A 25 9.943 -1.003 -3.376 1.00 71.05 H new ATOM 0 HD2 HIS A 25 8.880 -1.860 -5.614 1.00 32.34 H new ATOM 0 HE1 HIS A 25 7.521 1.816 -7.206 1.00 0.34 H new ATOM 0 HE2 HIS A 25 7.585 -0.705 -7.556 1.00 73.45 H new ATOM 411 N LEU A 26 6.928 1.334 -2.232 1.00 71.01 N ATOM 412 CA LEU A 26 5.508 1.117 -2.141 1.00 73.33 C ATOM 413 C LEU A 26 4.949 1.100 -3.550 1.00 23.44 C ATOM 414 O LEU A 26 5.332 1.932 -4.377 1.00 11.24 O ATOM 415 CB LEU A 26 4.856 2.265 -1.377 1.00 44.10 C ATOM 416 CG LEU A 26 5.344 2.520 0.053 1.00 32.33 C ATOM 417 CD1 LEU A 26 4.668 3.752 0.632 1.00 61.14 C ATOM 418 CD2 LEU A 26 5.069 1.319 0.932 1.00 72.24 C ATOM 0 H LEU A 26 7.189 2.315 -2.333 1.00 71.01 H new ATOM 0 HA LEU A 26 5.308 0.179 -1.624 1.00 73.33 H new ATOM 0 HB2 LEU A 26 5.002 3.179 -1.952 1.00 44.10 H new ATOM 0 HB3 LEU A 26 3.783 2.080 -1.340 1.00 44.10 H new ATOM 0 HG LEU A 26 6.420 2.690 0.021 1.00 32.33 H new ATOM 0 HD11 LEU A 26 5.025 3.919 1.648 1.00 61.14 H new ATOM 0 HD12 LEU A 26 4.905 4.620 0.016 1.00 61.14 H new ATOM 0 HD13 LEU A 26 3.589 3.601 0.647 1.00 61.14 H new ATOM 0 HD21 LEU A 26 5.423 1.520 1.943 1.00 72.24 H new ATOM 0 HD22 LEU A 26 3.997 1.123 0.955 1.00 72.24 H new ATOM 0 HD23 LEU A 26 5.589 0.449 0.532 1.00 72.24 H new ATOM 430 N LYS A 27 4.096 0.167 -3.829 1.00 2.43 N ATOM 431 CA LYS A 27 3.483 0.056 -5.120 1.00 51.13 C ATOM 432 C LYS A 27 2.040 -0.373 -4.900 1.00 50.00 C ATOM 433 O LYS A 27 1.783 -1.513 -4.555 1.00 42.42 O ATOM 434 CB LYS A 27 4.212 -1.022 -5.928 1.00 42.43 C ATOM 435 CG LYS A 27 3.915 -0.997 -7.412 1.00 75.02 C ATOM 436 CD LYS A 27 4.599 -2.133 -8.157 1.00 42.55 C ATOM 437 CE LYS A 27 4.127 -3.502 -7.686 1.00 72.15 C ATOM 438 NZ LYS A 27 4.792 -4.591 -8.429 1.00 74.14 N ATOM 0 H LYS A 27 3.801 -0.547 -3.163 1.00 2.43 H new ATOM 0 HA LYS A 27 3.530 1.002 -5.659 1.00 51.13 H new ATOM 0 HB2 LYS A 27 5.286 -0.904 -5.782 1.00 42.43 H new ATOM 0 HB3 LYS A 27 3.942 -2.001 -5.532 1.00 42.43 H new ATOM 0 HG2 LYS A 27 2.838 -1.061 -7.566 1.00 75.02 H new ATOM 0 HG3 LYS A 27 4.240 -0.044 -7.829 1.00 75.02 H new ATOM 0 HD2 LYS A 27 4.405 -2.032 -9.225 1.00 42.55 H new ATOM 0 HD3 LYS A 27 5.678 -2.056 -8.020 1.00 42.55 H new ATOM 0 HE2 LYS A 27 4.330 -3.611 -6.621 1.00 72.15 H new ATOM 0 HE3 LYS A 27 3.047 -3.579 -7.814 1.00 72.15 H new ATOM 0 HZ1 LYS A 27 4.447 -5.509 -8.082 1.00 74.14 H new ATOM 0 HZ2 LYS A 27 4.578 -4.501 -9.443 1.00 74.14 H new ATOM 0 HZ3 LYS A 27 5.820 -4.531 -8.286 1.00 74.14 H new ATOM 452 N ILE A 28 1.116 0.524 -5.050 1.00 60.43 N ATOM 453 CA ILE A 28 -0.269 0.182 -4.774 1.00 30.20 C ATOM 454 C ILE A 28 -0.976 -0.305 -6.049 1.00 0.33 C ATOM 455 O ILE A 28 -0.937 0.356 -7.094 1.00 24.11 O ATOM 456 CB ILE A 28 -1.060 1.347 -4.097 1.00 71.31 C ATOM 457 CG1 ILE A 28 -0.277 1.846 -2.874 1.00 2.32 C ATOM 458 CG2 ILE A 28 -2.431 0.839 -3.639 1.00 20.11 C ATOM 459 CD1 ILE A 28 -0.979 2.914 -2.050 1.00 64.31 C ATOM 0 H ILE A 28 1.277 1.484 -5.355 1.00 60.43 H new ATOM 0 HA ILE A 28 -0.253 -0.635 -4.053 1.00 30.20 H new ATOM 0 HB ILE A 28 -1.191 2.159 -4.812 1.00 71.31 H new ATOM 0 HG12 ILE A 28 -0.061 0.995 -2.228 1.00 2.32 H new ATOM 0 HG13 ILE A 28 0.681 2.241 -3.212 1.00 2.32 H new ATOM 0 HG21 ILE A 28 -2.981 1.653 -3.167 1.00 20.11 H new ATOM 0 HG22 ILE A 28 -2.990 0.474 -4.501 1.00 20.11 H new ATOM 0 HG23 ILE A 28 -2.298 0.028 -2.923 1.00 20.11 H new ATOM 0 HD11 ILE A 28 -0.346 3.200 -1.210 1.00 64.31 H new ATOM 0 HD12 ILE A 28 -1.171 3.787 -2.674 1.00 64.31 H new ATOM 0 HD13 ILE A 28 -1.924 2.521 -1.675 1.00 64.31 H new ATOM 471 N LEU A 29 -1.587 -1.462 -5.946 1.00 61.44 N ATOM 472 CA LEU A 29 -2.262 -2.135 -7.030 1.00 62.14 C ATOM 473 C LEU A 29 -3.777 -2.006 -6.885 1.00 2.23 C ATOM 474 O LEU A 29 -4.384 -2.552 -5.953 1.00 61.11 O ATOM 475 CB LEU A 29 -1.844 -3.619 -7.052 1.00 24.02 C ATOM 476 CG LEU A 29 -2.491 -4.514 -8.119 1.00 13.34 C ATOM 477 CD1 LEU A 29 -2.256 -3.959 -9.512 1.00 24.33 C ATOM 478 CD2 LEU A 29 -1.928 -5.921 -8.022 1.00 20.21 C ATOM 0 H LEU A 29 -1.629 -1.981 -5.069 1.00 61.44 H new ATOM 0 HA LEU A 29 -1.975 -1.668 -7.972 1.00 62.14 H new ATOM 0 HB2 LEU A 29 -0.763 -3.664 -7.184 1.00 24.02 H new ATOM 0 HB3 LEU A 29 -2.064 -4.047 -6.074 1.00 24.02 H new ATOM 0 HG LEU A 29 -3.566 -4.539 -7.938 1.00 13.34 H new ATOM 0 HD11 LEU A 29 -2.725 -4.612 -10.248 1.00 24.33 H new ATOM 0 HD12 LEU A 29 -2.689 -2.961 -9.584 1.00 24.33 H new ATOM 0 HD13 LEU A 29 -1.185 -3.904 -9.706 1.00 24.33 H new ATOM 0 HD21 LEU A 29 -2.391 -6.551 -8.781 1.00 20.21 H new ATOM 0 HD22 LEU A 29 -0.850 -5.893 -8.181 1.00 20.21 H new ATOM 0 HD23 LEU A 29 -2.139 -6.330 -7.034 1.00 20.21 H new ATOM 490 N ASN A 30 -4.371 -1.289 -7.792 1.00 25.24 N ATOM 491 CA ASN A 30 -5.802 -1.063 -7.792 1.00 13.55 C ATOM 492 C ASN A 30 -6.529 -2.149 -8.585 1.00 71.33 C ATOM 493 O ASN A 30 -6.313 -2.322 -9.780 1.00 75.43 O ATOM 494 CB ASN A 30 -6.126 0.352 -8.343 1.00 12.03 C ATOM 495 CG ASN A 30 -5.575 0.605 -9.749 1.00 23.32 C ATOM 496 OD1 ASN A 30 -4.431 1.037 -9.903 1.00 5.14 O ATOM 497 ND2 ASN A 30 -6.369 0.380 -10.764 1.00 73.03 N ATOM 0 H ASN A 30 -3.880 -0.837 -8.563 1.00 25.24 H new ATOM 0 HA ASN A 30 -6.159 -1.116 -6.764 1.00 13.55 H new ATOM 0 HB2 ASN A 30 -7.207 0.489 -8.356 1.00 12.03 H new ATOM 0 HB3 ASN A 30 -5.718 1.100 -7.662 1.00 12.03 H new ATOM 0 HD21 ASN A 30 -6.046 0.562 -11.714 1.00 73.03 H new ATOM 0 HD22 ASN A 30 -7.311 0.022 -10.605 1.00 73.03 H new ATOM 504 N THR A 31 -7.347 -2.903 -7.912 1.00 34.43 N ATOM 505 CA THR A 31 -8.128 -3.918 -8.549 1.00 73.10 C ATOM 506 C THR A 31 -9.600 -3.462 -8.600 1.00 24.13 C ATOM 507 O THR A 31 -10.126 -2.952 -7.607 1.00 11.53 O ATOM 508 CB THR A 31 -7.996 -5.250 -7.778 1.00 5.12 C ATOM 509 OG1 THR A 31 -6.611 -5.618 -7.702 1.00 41.24 O ATOM 510 CG2 THR A 31 -8.763 -6.378 -8.461 1.00 62.11 C ATOM 0 H THR A 31 -7.491 -2.830 -6.905 1.00 34.43 H new ATOM 0 HA THR A 31 -7.768 -4.078 -9.565 1.00 73.10 H new ATOM 0 HB THR A 31 -8.415 -5.101 -6.783 1.00 5.12 H new ATOM 0 HG1 THR A 31 -6.415 -6.295 -8.383 1.00 41.24 H new ATOM 0 HG21 THR A 31 -8.645 -7.298 -7.888 1.00 62.11 H new ATOM 0 HG22 THR A 31 -9.820 -6.118 -8.516 1.00 62.11 H new ATOM 0 HG23 THR A 31 -8.373 -6.526 -9.468 1.00 62.11 H new ATOM 518 N PRO A 32 -10.252 -3.613 -9.781 1.00 63.23 N ATOM 519 CA PRO A 32 -11.682 -3.243 -10.040 1.00 54.43 C ATOM 520 C PRO A 32 -12.677 -3.639 -8.934 1.00 65.51 C ATOM 521 O PRO A 32 -13.722 -3.013 -8.769 1.00 70.32 O ATOM 522 CB PRO A 32 -11.988 -4.076 -11.280 1.00 63.33 C ATOM 523 CG PRO A 32 -10.722 -4.057 -12.045 1.00 63.24 C ATOM 524 CD PRO A 32 -9.621 -4.134 -11.019 1.00 12.11 C ATOM 0 HA PRO A 32 -11.792 -2.162 -10.120 1.00 54.43 H new ATOM 0 HB2 PRO A 32 -12.280 -5.093 -11.016 1.00 63.33 H new ATOM 0 HB3 PRO A 32 -12.809 -3.648 -11.856 1.00 63.33 H new ATOM 0 HG2 PRO A 32 -10.671 -4.897 -12.737 1.00 63.24 H new ATOM 0 HG3 PRO A 32 -10.639 -3.148 -12.641 1.00 63.24 H new ATOM 0 HD2 PRO A 32 -9.268 -5.157 -10.888 1.00 12.11 H new ATOM 0 HD3 PRO A 32 -8.759 -3.534 -11.312 1.00 12.11 H new ATOM 532 N ASN A 33 -12.351 -4.656 -8.199 1.00 74.10 N ATOM 533 CA ASN A 33 -13.247 -5.201 -7.200 1.00 61.21 C ATOM 534 C ASN A 33 -12.570 -5.399 -5.860 1.00 11.11 C ATOM 535 O ASN A 33 -13.152 -5.123 -4.819 1.00 33.40 O ATOM 536 CB ASN A 33 -13.905 -6.496 -7.722 1.00 30.42 C ATOM 537 CG ASN A 33 -12.921 -7.485 -8.361 1.00 25.35 C ATOM 538 OD1 ASN A 33 -11.749 -7.564 -7.997 1.00 44.32 O ATOM 539 ND2 ASN A 33 -13.388 -8.220 -9.331 1.00 55.41 N ATOM 0 H ASN A 33 -11.456 -5.140 -8.267 1.00 74.10 H new ATOM 0 HA ASN A 33 -14.035 -4.469 -7.024 1.00 61.21 H new ATOM 0 HB2 ASN A 33 -14.415 -6.990 -6.895 1.00 30.42 H new ATOM 0 HB3 ASN A 33 -14.667 -6.233 -8.455 1.00 30.42 H new ATOM 0 HD21 ASN A 33 -12.777 -8.882 -9.809 1.00 55.41 H new ATOM 0 HD22 ASN A 33 -14.365 -8.133 -9.612 1.00 55.41 H new ATOM 546 N CYS A 34 -11.337 -5.831 -5.887 1.00 55.32 N ATOM 547 CA CYS A 34 -10.578 -6.076 -4.668 1.00 41.31 C ATOM 548 C CYS A 34 -9.947 -4.809 -4.110 1.00 2.11 C ATOM 549 O CYS A 34 -9.105 -4.878 -3.207 1.00 65.30 O ATOM 550 CB CYS A 34 -9.523 -7.119 -4.926 1.00 4.44 C ATOM 551 SG CYS A 34 -10.198 -8.720 -5.462 1.00 65.54 S ATOM 0 H CYS A 34 -10.823 -6.025 -6.746 1.00 55.32 H new ATOM 0 HA CYS A 34 -11.277 -6.438 -3.914 1.00 41.31 H new ATOM 0 HB2 CYS A 34 -8.838 -6.749 -5.689 1.00 4.44 H new ATOM 0 HB3 CYS A 34 -8.939 -7.266 -4.017 1.00 4.44 H new ATOM 556 N ALA A 35 -10.365 -3.654 -4.655 1.00 22.55 N ATOM 557 CA ALA A 35 -9.936 -2.337 -4.186 1.00 72.22 C ATOM 558 C ALA A 35 -8.461 -2.111 -4.419 1.00 33.40 C ATOM 559 O ALA A 35 -7.825 -2.808 -5.221 1.00 2.53 O ATOM 560 CB ALA A 35 -10.257 -2.190 -2.711 1.00 73.43 C ATOM 0 H ALA A 35 -11.015 -3.614 -5.440 1.00 22.55 H new ATOM 0 HA ALA A 35 -10.479 -1.585 -4.758 1.00 72.22 H new ATOM 0 HB1 ALA A 35 -9.936 -1.208 -2.365 1.00 73.43 H new ATOM 0 HB2 ALA A 35 -11.331 -2.295 -2.560 1.00 73.43 H new ATOM 0 HB3 ALA A 35 -9.735 -2.962 -2.146 1.00 73.43 H new ATOM 566 N LEU A 36 -7.928 -1.115 -3.765 1.00 11.43 N ATOM 567 CA LEU A 36 -6.548 -0.846 -3.846 1.00 62.32 C ATOM 568 C LEU A 36 -5.758 -1.599 -2.791 1.00 13.13 C ATOM 569 O LEU A 36 -5.929 -1.419 -1.590 1.00 31.31 O ATOM 570 CB LEU A 36 -6.231 0.665 -3.967 1.00 71.10 C ATOM 571 CG LEU A 36 -6.865 1.656 -2.970 1.00 53.43 C ATOM 572 CD1 LEU A 36 -6.291 1.542 -1.566 1.00 4.12 C ATOM 573 CD2 LEU A 36 -6.717 3.057 -3.506 1.00 52.44 C ATOM 0 H LEU A 36 -8.451 -0.477 -3.166 1.00 11.43 H new ATOM 0 HA LEU A 36 -6.190 -1.251 -4.793 1.00 62.32 H new ATOM 0 HB2 LEU A 36 -5.149 0.778 -3.897 1.00 71.10 H new ATOM 0 HB3 LEU A 36 -6.520 0.980 -4.970 1.00 71.10 H new ATOM 0 HG LEU A 36 -7.921 1.404 -2.876 1.00 53.43 H new ATOM 0 HD11 LEU A 36 -6.779 2.266 -0.913 1.00 4.12 H new ATOM 0 HD12 LEU A 36 -6.462 0.536 -1.184 1.00 4.12 H new ATOM 0 HD13 LEU A 36 -5.220 1.743 -1.593 1.00 4.12 H new ATOM 0 HD21 LEU A 36 -7.163 3.763 -2.806 1.00 52.44 H new ATOM 0 HD22 LEU A 36 -5.659 3.289 -3.631 1.00 52.44 H new ATOM 0 HD23 LEU A 36 -7.221 3.133 -4.469 1.00 52.44 H new ATOM 585 N GLN A 37 -4.955 -2.474 -3.269 1.00 70.23 N ATOM 586 CA GLN A 37 -4.112 -3.300 -2.469 1.00 54.14 C ATOM 587 C GLN A 37 -2.724 -2.779 -2.576 1.00 44.24 C ATOM 588 O GLN A 37 -2.266 -2.476 -3.652 1.00 44.20 O ATOM 589 CB GLN A 37 -4.182 -4.713 -2.986 1.00 64.22 C ATOM 590 CG GLN A 37 -5.467 -5.458 -2.644 1.00 11.03 C ATOM 591 CD GLN A 37 -6.000 -6.246 -3.807 1.00 73.30 C ATOM 592 OE1 GLN A 37 -6.545 -7.333 -3.649 1.00 35.41 O ATOM 593 NE2 GLN A 37 -5.964 -5.646 -4.965 1.00 25.01 N ATOM 0 H GLN A 37 -4.858 -2.647 -4.270 1.00 70.23 H new ATOM 0 HA GLN A 37 -4.428 -3.291 -1.426 1.00 54.14 H new ATOM 0 HB2 GLN A 37 -4.068 -4.694 -4.070 1.00 64.22 H new ATOM 0 HB3 GLN A 37 -3.337 -5.273 -2.586 1.00 64.22 H new ATOM 0 HG2 GLN A 37 -5.281 -6.131 -1.807 1.00 11.03 H new ATOM 0 HG3 GLN A 37 -6.222 -4.743 -2.317 1.00 11.03 H new ATOM 0 HE21 GLN A 37 -5.501 -4.742 -5.057 1.00 25.01 H new ATOM 0 HE22 GLN A 37 -6.399 -6.081 -5.779 1.00 25.01 H new ATOM 602 N ILE A 38 -2.054 -2.684 -1.501 1.00 12.31 N ATOM 603 CA ILE A 38 -0.753 -2.095 -1.510 1.00 33.42 C ATOM 604 C ILE A 38 0.280 -3.189 -1.528 1.00 71.41 C ATOM 605 O ILE A 38 0.136 -4.169 -0.842 1.00 43.12 O ATOM 606 CB ILE A 38 -0.574 -1.258 -0.249 1.00 64.24 C ATOM 607 CG1 ILE A 38 -1.690 -0.222 -0.137 1.00 74.15 C ATOM 608 CG2 ILE A 38 0.812 -0.593 -0.205 1.00 72.55 C ATOM 609 CD1 ILE A 38 -1.696 0.509 1.168 1.00 4.24 C ATOM 0 H ILE A 38 -2.376 -3.005 -0.588 1.00 12.31 H new ATOM 0 HA ILE A 38 -0.638 -1.463 -2.390 1.00 33.42 H new ATOM 0 HB ILE A 38 -0.637 -1.924 0.611 1.00 64.24 H new ATOM 0 HG12 ILE A 38 -1.588 0.499 -0.948 1.00 74.15 H new ATOM 0 HG13 ILE A 38 -2.651 -0.719 -0.271 1.00 74.15 H new ATOM 0 HG21 ILE A 38 0.904 -0.004 0.708 1.00 72.55 H new ATOM 0 HG22 ILE A 38 1.585 -1.361 -0.221 1.00 72.55 H new ATOM 0 HG23 ILE A 38 0.930 0.059 -1.071 1.00 72.55 H new ATOM 0 HD11 ILE A 38 -2.514 1.229 1.178 1.00 4.24 H new ATOM 0 HD12 ILE A 38 -1.828 -0.203 1.983 1.00 4.24 H new ATOM 0 HD13 ILE A 38 -0.749 1.034 1.295 1.00 4.24 H new ATOM 621 N VAL A 39 1.277 -3.034 -2.337 1.00 12.12 N ATOM 622 CA VAL A 39 2.367 -3.976 -2.421 1.00 41.32 C ATOM 623 C VAL A 39 3.651 -3.241 -2.106 1.00 2.13 C ATOM 624 O VAL A 39 3.966 -2.251 -2.736 1.00 32.33 O ATOM 625 CB VAL A 39 2.474 -4.576 -3.850 1.00 50.43 C ATOM 626 CG1 VAL A 39 3.645 -5.530 -3.961 1.00 10.32 C ATOM 627 CG2 VAL A 39 1.175 -5.257 -4.269 1.00 72.31 C ATOM 0 H VAL A 39 1.367 -2.240 -2.971 1.00 12.12 H new ATOM 0 HA VAL A 39 2.192 -4.788 -1.716 1.00 41.32 H new ATOM 0 HB VAL A 39 2.651 -3.748 -4.536 1.00 50.43 H new ATOM 0 HG11 VAL A 39 3.692 -5.932 -4.973 1.00 10.32 H new ATOM 0 HG12 VAL A 39 4.570 -4.998 -3.739 1.00 10.32 H new ATOM 0 HG13 VAL A 39 3.517 -6.347 -3.251 1.00 10.32 H new ATOM 0 HG21 VAL A 39 1.286 -5.665 -5.274 1.00 72.31 H new ATOM 0 HG22 VAL A 39 0.946 -6.064 -3.573 1.00 72.31 H new ATOM 0 HG23 VAL A 39 0.364 -4.529 -4.261 1.00 72.31 H new ATOM 637 N ALA A 40 4.372 -3.698 -1.150 1.00 44.22 N ATOM 638 CA ALA A 40 5.593 -3.046 -0.785 1.00 2.12 C ATOM 639 C ALA A 40 6.665 -4.047 -0.503 1.00 74.32 C ATOM 640 O ALA A 40 6.386 -5.168 -0.070 1.00 45.11 O ATOM 641 CB ALA A 40 5.382 -2.200 0.431 1.00 53.23 C ATOM 0 H ALA A 40 4.144 -4.525 -0.598 1.00 44.22 H new ATOM 0 HA ALA A 40 5.902 -2.419 -1.621 1.00 2.12 H new ATOM 0 HB1 ALA A 40 6.317 -1.709 0.699 1.00 53.23 H new ATOM 0 HB2 ALA A 40 4.623 -1.446 0.222 1.00 53.23 H new ATOM 0 HB3 ALA A 40 5.052 -2.828 1.258 1.00 53.23 H new ATOM 647 N ARG A 41 7.871 -3.672 -0.773 1.00 72.42 N ATOM 648 CA ARG A 41 8.995 -4.473 -0.462 1.00 5.32 C ATOM 649 C ARG A 41 9.840 -3.852 0.600 1.00 53.24 C ATOM 650 O ARG A 41 9.935 -2.623 0.689 1.00 62.03 O ATOM 651 CB ARG A 41 9.784 -4.788 -1.693 1.00 2.34 C ATOM 652 CG ARG A 41 9.497 -6.169 -2.174 1.00 42.21 C ATOM 653 CD ARG A 41 10.108 -6.465 -3.489 1.00 22.42 C ATOM 654 NE ARG A 41 9.626 -5.562 -4.551 1.00 0.05 N ATOM 655 CZ ARG A 41 9.897 -5.705 -5.853 1.00 2.44 C ATOM 656 NH1 ARG A 41 10.663 -6.701 -6.269 1.00 73.00 N ATOM 657 NH2 ARG A 41 9.400 -4.845 -6.737 1.00 43.22 N ATOM 0 H ARG A 41 8.101 -2.786 -1.223 1.00 72.42 H new ATOM 0 HA ARG A 41 8.629 -5.416 -0.057 1.00 5.32 H new ATOM 0 HB2 ARG A 41 9.544 -4.069 -2.477 1.00 2.34 H new ATOM 0 HB3 ARG A 41 10.849 -4.687 -1.482 1.00 2.34 H new ATOM 0 HG2 ARG A 41 9.864 -6.886 -1.440 1.00 42.21 H new ATOM 0 HG3 ARG A 41 8.418 -6.306 -2.242 1.00 42.21 H new ATOM 0 HD2 ARG A 41 11.192 -6.382 -3.410 1.00 22.42 H new ATOM 0 HD3 ARG A 41 9.887 -7.496 -3.765 1.00 22.42 H new ATOM 0 HE ARG A 41 9.044 -4.772 -4.273 1.00 0.05 H new ATOM 0 HH11 ARG A 41 11.049 -7.363 -5.596 1.00 73.00 H new ATOM 0 HH12 ARG A 41 10.867 -6.807 -7.263 1.00 73.00 H new ATOM 0 HH21 ARG A 41 8.811 -4.074 -6.423 1.00 43.22 H new ATOM 0 HH22 ARG A 41 9.608 -4.956 -7.729 1.00 43.22 H new ATOM 671 N LEU A 42 10.411 -4.682 1.427 1.00 65.03 N ATOM 672 CA LEU A 42 11.278 -4.227 2.498 1.00 4.32 C ATOM 673 C LEU A 42 12.652 -3.953 1.936 1.00 70.42 C ATOM 674 O LEU A 42 13.005 -4.479 0.882 1.00 51.03 O ATOM 675 CB LEU A 42 11.363 -5.289 3.594 1.00 52.03 C ATOM 676 CG LEU A 42 9.999 -5.809 4.101 1.00 72.53 C ATOM 677 CD1 LEU A 42 10.177 -6.850 5.176 1.00 23.12 C ATOM 678 CD2 LEU A 42 9.130 -4.662 4.609 1.00 74.52 C ATOM 0 H LEU A 42 10.294 -5.694 1.385 1.00 65.03 H new ATOM 0 HA LEU A 42 10.871 -3.314 2.932 1.00 4.32 H new ATOM 0 HB2 LEU A 42 11.941 -6.133 3.218 1.00 52.03 H new ATOM 0 HB3 LEU A 42 11.915 -4.876 4.438 1.00 52.03 H new ATOM 0 HG LEU A 42 9.492 -6.276 3.257 1.00 72.53 H new ATOM 0 HD11 LEU A 42 9.200 -7.196 5.512 1.00 23.12 H new ATOM 0 HD12 LEU A 42 10.743 -7.692 4.777 1.00 23.12 H new ATOM 0 HD13 LEU A 42 10.717 -6.416 6.017 1.00 23.12 H new ATOM 0 HD21 LEU A 42 8.176 -5.056 4.960 1.00 74.52 H new ATOM 0 HD22 LEU A 42 9.638 -4.157 5.430 1.00 74.52 H new ATOM 0 HD23 LEU A 42 8.954 -3.953 3.800 1.00 74.52 H new ATOM 690 N LYS A 43 13.414 -3.138 2.615 1.00 73.42 N ATOM 691 CA LYS A 43 14.743 -2.789 2.158 1.00 12.43 C ATOM 692 C LYS A 43 15.722 -3.943 2.293 1.00 60.52 C ATOM 693 O LYS A 43 16.158 -4.526 1.299 1.00 21.00 O ATOM 694 CB LYS A 43 15.281 -1.576 2.920 1.00 43.24 C ATOM 695 CG LYS A 43 14.500 -0.299 2.695 1.00 44.42 C ATOM 696 CD LYS A 43 15.056 0.857 3.512 1.00 3.15 C ATOM 697 CE LYS A 43 16.516 1.129 3.192 1.00 63.21 C ATOM 698 NZ LYS A 43 17.025 2.318 3.903 1.00 44.41 N ATOM 0 H LYS A 43 13.140 -2.698 3.493 1.00 73.42 H new ATOM 0 HA LYS A 43 14.651 -2.545 1.100 1.00 12.43 H new ATOM 0 HB2 LYS A 43 15.283 -1.803 3.986 1.00 43.24 H new ATOM 0 HB3 LYS A 43 16.318 -1.410 2.628 1.00 43.24 H new ATOM 0 HG2 LYS A 43 14.524 -0.040 1.636 1.00 44.42 H new ATOM 0 HG3 LYS A 43 13.455 -0.461 2.960 1.00 44.42 H new ATOM 0 HD2 LYS A 43 14.469 1.754 3.317 1.00 3.15 H new ATOM 0 HD3 LYS A 43 14.953 0.633 4.574 1.00 3.15 H new ATOM 0 HE2 LYS A 43 17.115 0.260 3.464 1.00 63.21 H new ATOM 0 HE3 LYS A 43 16.631 1.272 2.118 1.00 63.21 H new ATOM 0 HZ1 LYS A 43 18.024 2.468 3.657 1.00 44.41 H new ATOM 0 HZ2 LYS A 43 16.471 3.153 3.625 1.00 44.41 H new ATOM 0 HZ3 LYS A 43 16.939 2.172 4.929 1.00 44.41 H new ATOM 712 N ASN A 44 16.047 -4.270 3.515 1.00 62.24 N ATOM 713 CA ASN A 44 17.099 -5.243 3.790 1.00 71.04 C ATOM 714 C ASN A 44 16.587 -6.652 3.666 1.00 31.44 C ATOM 715 O ASN A 44 17.280 -7.544 3.178 1.00 13.40 O ATOM 716 CB ASN A 44 17.718 -5.025 5.182 1.00 60.52 C ATOM 717 CG ASN A 44 18.267 -3.619 5.389 1.00 44.11 C ATOM 718 OD1 ASN A 44 17.559 -2.721 5.858 1.00 72.21 O ATOM 719 ND2 ASN A 44 19.511 -3.411 5.048 1.00 22.52 N ATOM 0 H ASN A 44 15.603 -3.881 4.347 1.00 62.24 H new ATOM 0 HA ASN A 44 17.877 -5.092 3.042 1.00 71.04 H new ATOM 0 HB2 ASN A 44 16.964 -5.228 5.942 1.00 60.52 H new ATOM 0 HB3 ASN A 44 18.522 -5.746 5.331 1.00 60.52 H new ATOM 0 HD21 ASN A 44 19.924 -2.486 5.166 1.00 22.52 H new ATOM 0 HD22 ASN A 44 20.069 -4.174 4.664 1.00 22.52 H new ATOM 726 N ASN A 45 15.369 -6.851 4.104 1.00 15.55 N ATOM 727 CA ASN A 45 14.767 -8.165 4.100 1.00 52.42 C ATOM 728 C ASN A 45 14.191 -8.473 2.719 1.00 43.11 C ATOM 729 O ASN A 45 14.017 -9.624 2.352 1.00 41.14 O ATOM 730 CB ASN A 45 13.715 -8.256 5.213 1.00 32.23 C ATOM 731 CG ASN A 45 13.135 -9.643 5.413 1.00 65.15 C ATOM 732 OD1 ASN A 45 11.936 -9.704 5.931 1.00 32.33 O flip ATOM 733 ND2 ASN A 45 13.773 -10.651 5.134 1.00 13.00 N flip ATOM 0 H ASN A 45 14.768 -6.113 4.472 1.00 15.55 H new ATOM 0 HA ASN A 45 15.523 -8.923 4.306 1.00 52.42 H new ATOM 0 HB2 ASN A 45 14.164 -7.925 6.149 1.00 32.23 H new ATOM 0 HB3 ASN A 45 12.903 -7.565 4.987 1.00 32.23 H new ATOM 0 HD21 ASN A 45 14.706 -10.569 4.731 1.00 13.00 H new ATOM 0 HD22 ASN A 45 13.371 -11.573 5.305 1.00 13.00 H new ATOM 740 N ASN A 46 13.895 -7.410 1.966 1.00 61.51 N ATOM 741 CA ASN A 46 13.473 -7.477 0.535 1.00 54.13 C ATOM 742 C ASN A 46 12.122 -8.195 0.301 1.00 34.31 C ATOM 743 O ASN A 46 11.653 -8.287 -0.824 1.00 52.50 O ATOM 744 CB ASN A 46 14.622 -8.085 -0.324 1.00 55.33 C ATOM 745 CG ASN A 46 14.381 -8.063 -1.836 1.00 51.50 C ATOM 746 OD1 ASN A 46 14.676 -7.072 -2.501 1.00 34.42 O ATOM 747 ND2 ASN A 46 13.915 -9.161 -2.388 1.00 15.44 N ATOM 0 H ASN A 46 13.938 -6.456 2.325 1.00 61.51 H new ATOM 0 HA ASN A 46 13.287 -6.453 0.211 1.00 54.13 H new ATOM 0 HB2 ASN A 46 15.542 -7.541 -0.110 1.00 55.33 H new ATOM 0 HB3 ASN A 46 14.782 -9.117 -0.012 1.00 55.33 H new ATOM 0 HD21 ASN A 46 13.788 -9.209 -3.399 1.00 15.44 H new ATOM 0 HD22 ASN A 46 13.680 -9.965 -1.805 1.00 15.44 H new ATOM 754 N ARG A 47 11.482 -8.666 1.359 1.00 40.40 N ATOM 755 CA ARG A 47 10.238 -9.365 1.221 1.00 71.53 C ATOM 756 C ARG A 47 9.153 -8.477 0.713 1.00 51.22 C ATOM 757 O ARG A 47 9.012 -7.326 1.140 1.00 3.34 O ATOM 758 CB ARG A 47 9.827 -10.004 2.513 1.00 13.41 C ATOM 759 CG ARG A 47 10.760 -11.067 3.009 1.00 23.31 C ATOM 760 CD ARG A 47 10.197 -11.657 4.260 1.00 33.43 C ATOM 761 NE ARG A 47 11.027 -12.718 4.827 1.00 74.35 N ATOM 762 CZ ARG A 47 10.859 -13.251 6.050 1.00 32.54 C ATOM 763 NH1 ARG A 47 9.874 -12.826 6.832 1.00 63.44 N ATOM 764 NH2 ARG A 47 11.683 -14.197 6.488 1.00 53.30 N ATOM 0 H ARG A 47 11.813 -8.571 2.319 1.00 40.40 H new ATOM 0 HA ARG A 47 10.398 -10.150 0.482 1.00 71.53 H new ATOM 0 HB2 ARG A 47 9.742 -9.229 3.275 1.00 13.41 H new ATOM 0 HB3 ARG A 47 8.835 -10.439 2.389 1.00 13.41 H new ATOM 0 HG2 ARG A 47 10.888 -11.840 2.251 1.00 23.31 H new ATOM 0 HG3 ARG A 47 11.746 -10.644 3.202 1.00 23.31 H new ATOM 0 HD2 ARG A 47 10.073 -10.868 5.001 1.00 33.43 H new ATOM 0 HD3 ARG A 47 9.204 -12.056 4.050 1.00 33.43 H new ATOM 0 HE ARG A 47 11.789 -13.080 4.254 1.00 74.35 H new ATOM 0 HH11 ARG A 47 9.243 -12.094 6.505 1.00 63.44 H new ATOM 0 HH12 ARG A 47 9.748 -13.231 7.759 1.00 63.44 H new ATOM 0 HH21 ARG A 47 12.447 -14.522 5.896 1.00 53.30 H new ATOM 0 HH22 ARG A 47 11.551 -14.598 7.417 1.00 53.30 H new ATOM 778 N GLN A 48 8.418 -9.009 -0.207 1.00 14.34 N ATOM 779 CA GLN A 48 7.334 -8.336 -0.797 1.00 64.43 C ATOM 780 C GLN A 48 6.082 -8.719 -0.046 1.00 31.31 C ATOM 781 O GLN A 48 5.710 -9.896 0.009 1.00 72.01 O ATOM 782 CB GLN A 48 7.240 -8.770 -2.246 1.00 24.30 C ATOM 783 CG GLN A 48 6.232 -8.029 -3.054 1.00 14.20 C ATOM 784 CD GLN A 48 6.119 -8.579 -4.457 1.00 51.55 C ATOM 785 OE1 GLN A 48 7.089 -9.082 -5.020 1.00 61.02 O ATOM 786 NE2 GLN A 48 4.942 -8.515 -5.023 1.00 22.31 N ATOM 0 H GLN A 48 8.568 -9.950 -0.571 1.00 14.34 H new ATOM 0 HA GLN A 48 7.462 -7.254 -0.756 1.00 64.43 H new ATOM 0 HB2 GLN A 48 8.218 -8.649 -2.711 1.00 24.30 H new ATOM 0 HB3 GLN A 48 7.001 -9.833 -2.278 1.00 24.30 H new ATOM 0 HG2 GLN A 48 5.261 -8.085 -2.563 1.00 14.20 H new ATOM 0 HG3 GLN A 48 6.506 -6.975 -3.098 1.00 14.20 H new ATOM 0 HE21 GLN A 48 4.159 -8.090 -4.526 1.00 22.31 H new ATOM 0 HE22 GLN A 48 4.807 -8.890 -5.962 1.00 22.31 H new ATOM 795 N VAL A 49 5.451 -7.750 0.524 1.00 34.22 N ATOM 796 CA VAL A 49 4.261 -7.963 1.295 1.00 22.43 C ATOM 797 C VAL A 49 3.210 -6.974 0.883 1.00 2.53 C ATOM 798 O VAL A 49 3.519 -5.922 0.315 1.00 20.43 O ATOM 799 CB VAL A 49 4.516 -7.840 2.840 1.00 54.50 C ATOM 800 CG1 VAL A 49 5.481 -8.912 3.334 1.00 4.53 C ATOM 801 CG2 VAL A 49 5.041 -6.449 3.206 1.00 32.31 C ATOM 0 H VAL A 49 5.745 -6.775 0.471 1.00 34.22 H new ATOM 0 HA VAL A 49 3.925 -8.981 1.098 1.00 22.43 H new ATOM 0 HB VAL A 49 3.557 -7.990 3.336 1.00 54.50 H new ATOM 0 HG11 VAL A 49 5.634 -8.797 4.407 1.00 4.53 H new ATOM 0 HG12 VAL A 49 5.064 -9.898 3.131 1.00 4.53 H new ATOM 0 HG13 VAL A 49 6.435 -8.808 2.818 1.00 4.53 H new ATOM 0 HG21 VAL A 49 5.208 -6.395 4.282 1.00 32.31 H new ATOM 0 HG22 VAL A 49 5.980 -6.265 2.683 1.00 32.31 H new ATOM 0 HG23 VAL A 49 4.310 -5.696 2.914 1.00 32.31 H new ATOM 811 N CYS A 50 1.990 -7.304 1.133 1.00 61.01 N ATOM 812 CA CYS A 50 0.919 -6.409 0.845 1.00 14.12 C ATOM 813 C CYS A 50 0.706 -5.532 2.037 1.00 74.13 C ATOM 814 O CYS A 50 0.966 -5.948 3.148 1.00 2.44 O ATOM 815 CB CYS A 50 -0.341 -7.176 0.517 1.00 63.21 C ATOM 816 SG CYS A 50 -0.101 -8.373 -0.846 1.00 61.22 S ATOM 0 H CYS A 50 1.706 -8.195 1.540 1.00 61.01 H new ATOM 0 HA CYS A 50 1.169 -5.799 -0.024 1.00 14.12 H new ATOM 0 HB2 CYS A 50 -0.681 -7.707 1.406 1.00 63.21 H new ATOM 0 HB3 CYS A 50 -1.129 -6.474 0.245 1.00 63.21 H new ATOM 821 N ILE A 51 0.276 -4.334 1.822 1.00 53.22 N ATOM 822 CA ILE A 51 0.058 -3.429 2.901 1.00 43.12 C ATOM 823 C ILE A 51 -1.386 -3.043 2.997 1.00 44.11 C ATOM 824 O ILE A 51 -2.083 -2.881 1.986 1.00 32.01 O ATOM 825 CB ILE A 51 0.962 -2.173 2.828 1.00 74.32 C ATOM 826 CG1 ILE A 51 2.415 -2.596 2.843 1.00 4.22 C ATOM 827 CG2 ILE A 51 0.682 -1.208 3.976 1.00 44.34 C ATOM 828 CD1 ILE A 51 3.381 -1.436 2.973 1.00 65.12 C ATOM 0 H ILE A 51 0.066 -3.955 0.898 1.00 53.22 H new ATOM 0 HA ILE A 51 0.338 -3.961 3.810 1.00 43.12 H new ATOM 0 HB ILE A 51 0.740 -1.648 1.899 1.00 74.32 H new ATOM 0 HG12 ILE A 51 2.576 -3.287 3.671 1.00 4.22 H new ATOM 0 HG13 ILE A 51 2.636 -3.141 1.925 1.00 4.22 H new ATOM 0 HG21 ILE A 51 1.336 -0.340 3.890 1.00 44.34 H new ATOM 0 HG22 ILE A 51 -0.358 -0.884 3.934 1.00 44.34 H new ATOM 0 HG23 ILE A 51 0.868 -1.709 4.926 1.00 44.34 H new ATOM 0 HD11 ILE A 51 4.404 -1.813 2.977 1.00 65.12 H new ATOM 0 HD12 ILE A 51 3.248 -0.756 2.132 1.00 65.12 H new ATOM 0 HD13 ILE A 51 3.187 -0.904 3.904 1.00 65.12 H new ATOM 840 N ASP A 52 -1.821 -2.953 4.207 1.00 32.15 N ATOM 841 CA ASP A 52 -3.144 -2.567 4.567 1.00 23.54 C ATOM 842 C ASP A 52 -3.341 -1.070 4.347 1.00 14.42 C ATOM 843 O ASP A 52 -2.535 -0.256 4.810 1.00 20.20 O ATOM 844 CB ASP A 52 -3.320 -2.917 6.009 1.00 50.35 C ATOM 845 CG ASP A 52 -4.657 -2.547 6.570 1.00 51.44 C ATOM 846 OD1 ASP A 52 -4.826 -1.390 6.950 1.00 41.14 O ATOM 847 OD2 ASP A 52 -5.541 -3.433 6.679 1.00 63.43 O ATOM 0 H ASP A 52 -1.233 -3.157 5.015 1.00 32.15 H new ATOM 0 HA ASP A 52 -3.882 -3.082 3.952 1.00 23.54 H new ATOM 0 HB2 ASP A 52 -3.171 -3.990 6.132 1.00 50.35 H new ATOM 0 HB3 ASP A 52 -2.544 -2.419 6.590 1.00 50.35 H new ATOM 852 N PRO A 53 -4.414 -0.688 3.647 1.00 10.13 N ATOM 853 CA PRO A 53 -4.674 0.707 3.310 1.00 31.43 C ATOM 854 C PRO A 53 -5.096 1.586 4.493 1.00 61.50 C ATOM 855 O PRO A 53 -5.048 2.806 4.395 1.00 42.13 O ATOM 856 CB PRO A 53 -5.802 0.625 2.274 1.00 53.24 C ATOM 857 CG PRO A 53 -6.497 -0.658 2.562 1.00 0.12 C ATOM 858 CD PRO A 53 -5.453 -1.594 3.107 1.00 74.52 C ATOM 0 HA PRO A 53 -3.762 1.185 2.952 1.00 31.43 H new ATOM 0 HB2 PRO A 53 -6.483 1.471 2.364 1.00 53.24 H new ATOM 0 HB3 PRO A 53 -5.407 0.640 1.258 1.00 53.24 H new ATOM 0 HG2 PRO A 53 -7.301 -0.511 3.283 1.00 0.12 H new ATOM 0 HG3 PRO A 53 -6.950 -1.066 1.658 1.00 0.12 H new ATOM 0 HD2 PRO A 53 -5.862 -2.241 3.883 1.00 74.52 H new ATOM 0 HD3 PRO A 53 -5.052 -2.243 2.329 1.00 74.52 H new ATOM 866 N LYS A 54 -5.482 0.993 5.612 1.00 11.33 N ATOM 867 CA LYS A 54 -5.958 1.793 6.716 1.00 32.43 C ATOM 868 C LYS A 54 -4.905 2.006 7.797 1.00 61.42 C ATOM 869 O LYS A 54 -5.204 2.582 8.858 1.00 75.41 O ATOM 870 CB LYS A 54 -7.348 1.324 7.255 1.00 4.41 C ATOM 871 CG LYS A 54 -7.450 -0.110 7.744 1.00 3.43 C ATOM 872 CD LYS A 54 -6.785 -0.309 9.094 1.00 12.33 C ATOM 873 CE LYS A 54 -7.506 0.411 10.218 1.00 24.41 C ATOM 874 NZ LYS A 54 -6.837 0.182 11.517 1.00 13.02 N ATOM 0 H LYS A 54 -5.474 -0.014 5.773 1.00 11.33 H new ATOM 0 HA LYS A 54 -6.141 2.789 6.312 1.00 32.43 H new ATOM 0 HB2 LYS A 54 -7.633 1.983 8.075 1.00 4.41 H new ATOM 0 HB3 LYS A 54 -8.083 1.465 6.463 1.00 4.41 H new ATOM 0 HG2 LYS A 54 -8.500 -0.393 7.814 1.00 3.43 H new ATOM 0 HG3 LYS A 54 -6.989 -0.774 7.013 1.00 3.43 H new ATOM 0 HD2 LYS A 54 -6.743 -1.375 9.319 1.00 12.33 H new ATOM 0 HD3 LYS A 54 -5.756 0.046 9.043 1.00 12.33 H new ATOM 0 HE2 LYS A 54 -7.539 1.480 10.006 1.00 24.41 H new ATOM 0 HE3 LYS A 54 -8.538 0.065 10.272 1.00 24.41 H new ATOM 0 HZ1 LYS A 54 -7.352 0.686 12.267 1.00 13.02 H new ATOM 0 HZ2 LYS A 54 -6.828 -0.836 11.728 1.00 13.02 H new ATOM 0 HZ3 LYS A 54 -5.860 0.535 11.471 1.00 13.02 H new ATOM 888 N LEU A 55 -3.670 1.554 7.534 1.00 23.42 N ATOM 889 CA LEU A 55 -2.533 1.844 8.409 1.00 1.01 C ATOM 890 C LEU A 55 -2.387 3.344 8.576 1.00 41.11 C ATOM 891 O LEU A 55 -2.621 4.097 7.635 1.00 23.53 O ATOM 892 CB LEU A 55 -1.231 1.262 7.845 1.00 64.43 C ATOM 893 CG LEU A 55 -0.986 -0.234 8.020 1.00 43.35 C ATOM 894 CD1 LEU A 55 0.264 -0.630 7.280 1.00 1.54 C ATOM 895 CD2 LEU A 55 -0.798 -0.566 9.480 1.00 11.10 C ATOM 0 H LEU A 55 -3.437 0.985 6.720 1.00 23.42 H new ATOM 0 HA LEU A 55 -2.723 1.379 9.376 1.00 1.01 H new ATOM 0 HB2 LEU A 55 -1.199 1.484 6.778 1.00 64.43 H new ATOM 0 HB3 LEU A 55 -0.399 1.794 8.306 1.00 64.43 H new ATOM 0 HG LEU A 55 -1.848 -0.774 7.628 1.00 43.35 H new ATOM 0 HD11 LEU A 55 0.438 -1.699 7.406 1.00 1.54 H new ATOM 0 HD12 LEU A 55 0.147 -0.404 6.220 1.00 1.54 H new ATOM 0 HD13 LEU A 55 1.114 -0.075 7.678 1.00 1.54 H new ATOM 0 HD21 LEU A 55 -0.624 -1.636 9.590 1.00 11.10 H new ATOM 0 HD22 LEU A 55 0.059 -0.017 9.871 1.00 11.10 H new ATOM 0 HD23 LEU A 55 -1.693 -0.285 10.035 1.00 11.10 H new ATOM 907 N LYS A 56 -1.991 3.769 9.756 1.00 50.12 N ATOM 908 CA LYS A 56 -1.906 5.193 10.071 1.00 64.11 C ATOM 909 C LYS A 56 -0.926 5.907 9.158 1.00 64.22 C ATOM 910 O LYS A 56 -1.255 6.927 8.565 1.00 63.42 O ATOM 911 CB LYS A 56 -1.521 5.425 11.532 1.00 32.54 C ATOM 912 CG LYS A 56 -1.450 6.893 11.908 1.00 22.51 C ATOM 913 CD LYS A 56 -1.080 7.093 13.358 1.00 34.54 C ATOM 914 CE LYS A 56 -1.026 8.576 13.705 1.00 13.45 C ATOM 915 NZ LYS A 56 -2.322 9.260 13.452 1.00 2.12 N ATOM 0 H LYS A 56 -1.720 3.152 10.521 1.00 50.12 H new ATOM 0 HA LYS A 56 -2.899 5.610 9.907 1.00 64.11 H new ATOM 0 HB2 LYS A 56 -2.247 4.927 12.175 1.00 32.54 H new ATOM 0 HB3 LYS A 56 -0.554 4.961 11.724 1.00 32.54 H new ATOM 0 HG2 LYS A 56 -0.717 7.393 11.275 1.00 22.51 H new ATOM 0 HG3 LYS A 56 -2.414 7.363 11.712 1.00 22.51 H new ATOM 0 HD2 LYS A 56 -1.808 6.592 13.996 1.00 34.54 H new ATOM 0 HD3 LYS A 56 -0.112 6.633 13.557 1.00 34.54 H new ATOM 0 HE2 LYS A 56 -0.755 8.692 14.754 1.00 13.45 H new ATOM 0 HE3 LYS A 56 -0.243 9.056 13.118 1.00 13.45 H new ATOM 0 HZ1 LYS A 56 -2.332 10.177 13.942 1.00 2.12 H new ATOM 0 HZ2 LYS A 56 -2.440 9.413 12.430 1.00 2.12 H new ATOM 0 HZ3 LYS A 56 -3.101 8.669 13.806 1.00 2.12 H new ATOM 929 N TRP A 57 0.261 5.345 9.012 1.00 4.13 N ATOM 930 CA TRP A 57 1.278 5.976 8.190 1.00 70.45 C ATOM 931 C TRP A 57 0.901 5.895 6.706 1.00 73.32 C ATOM 932 O TRP A 57 1.344 6.705 5.890 1.00 23.53 O ATOM 933 CB TRP A 57 2.670 5.387 8.465 1.00 72.03 C ATOM 934 CG TRP A 57 2.839 3.957 8.081 1.00 12.11 C ATOM 935 CD1 TRP A 57 2.562 2.850 8.828 1.00 43.10 C ATOM 936 CD2 TRP A 57 3.343 3.493 6.845 1.00 1.23 C ATOM 937 NE1 TRP A 57 2.859 1.723 8.112 1.00 2.33 N ATOM 938 CE2 TRP A 57 3.344 2.097 6.886 1.00 32.33 C ATOM 939 CE3 TRP A 57 3.790 4.134 5.701 1.00 1.22 C ATOM 940 CZ2 TRP A 57 3.777 1.332 5.820 1.00 73.54 C ATOM 941 CZ3 TRP A 57 4.221 3.384 4.646 1.00 22.42 C ATOM 942 CH2 TRP A 57 4.213 1.991 4.708 1.00 71.22 C ATOM 0 H TRP A 57 0.542 4.465 9.445 1.00 4.13 H new ATOM 0 HA TRP A 57 1.327 7.031 8.460 1.00 70.45 H new ATOM 0 HB2 TRP A 57 3.411 5.981 7.930 1.00 72.03 H new ATOM 0 HB3 TRP A 57 2.887 5.490 9.528 1.00 72.03 H new ATOM 0 HD1 TRP A 57 2.168 2.862 9.833 1.00 43.10 H new ATOM 0 HE1 TRP A 57 2.739 0.763 8.437 1.00 2.33 H new ATOM 0 HE3 TRP A 57 3.797 5.213 5.645 1.00 1.22 H new ATOM 0 HZ2 TRP A 57 3.771 0.253 5.865 1.00 73.54 H new ATOM 0 HZ3 TRP A 57 4.573 3.876 3.751 1.00 22.42 H new ATOM 0 HH2 TRP A 57 4.559 1.422 3.858 1.00 71.22 H new ATOM 953 N ILE A 58 0.066 4.917 6.373 1.00 12.22 N ATOM 954 CA ILE A 58 -0.454 4.772 5.033 1.00 44.34 C ATOM 955 C ILE A 58 -1.503 5.846 4.778 1.00 73.22 C ATOM 956 O ILE A 58 -1.574 6.414 3.694 1.00 41.23 O ATOM 957 CB ILE A 58 -1.021 3.343 4.776 1.00 70.13 C ATOM 958 CG1 ILE A 58 0.103 2.311 4.725 1.00 72.25 C ATOM 959 CG2 ILE A 58 -1.822 3.279 3.506 1.00 73.34 C ATOM 960 CD1 ILE A 58 1.077 2.533 3.580 1.00 62.44 C ATOM 0 H ILE A 58 -0.264 4.208 7.028 1.00 12.22 H new ATOM 0 HA ILE A 58 0.367 4.904 4.328 1.00 44.34 H new ATOM 0 HB ILE A 58 -1.684 3.111 5.610 1.00 70.13 H new ATOM 0 HG12 ILE A 58 0.650 2.335 5.667 1.00 72.25 H new ATOM 0 HG13 ILE A 58 -0.332 1.316 4.634 1.00 72.25 H new ATOM 0 HG21 ILE A 58 -2.199 2.266 3.364 1.00 73.34 H new ATOM 0 HG22 ILE A 58 -2.660 3.973 3.569 1.00 73.34 H new ATOM 0 HG23 ILE A 58 -1.188 3.552 2.662 1.00 73.34 H new ATOM 0 HD11 ILE A 58 1.849 1.764 3.605 1.00 62.44 H new ATOM 0 HD12 ILE A 58 0.542 2.480 2.632 1.00 62.44 H new ATOM 0 HD13 ILE A 58 1.540 3.515 3.681 1.00 62.44 H new ATOM 972 N GLN A 59 -2.291 6.142 5.791 1.00 35.24 N ATOM 973 CA GLN A 59 -3.240 7.224 5.704 1.00 41.51 C ATOM 974 C GLN A 59 -2.532 8.547 5.562 1.00 15.35 C ATOM 975 O GLN A 59 -2.946 9.377 4.777 1.00 65.32 O ATOM 976 CB GLN A 59 -4.229 7.222 6.865 1.00 60.14 C ATOM 977 CG GLN A 59 -5.236 6.084 6.792 1.00 52.22 C ATOM 978 CD GLN A 59 -6.092 6.178 5.537 1.00 42.35 C ATOM 979 OE1 GLN A 59 -7.148 6.807 5.539 1.00 55.53 O ATOM 980 NE2 GLN A 59 -5.667 5.545 4.477 1.00 65.22 N ATOM 0 H GLN A 59 -2.290 5.646 6.683 1.00 35.24 H new ATOM 0 HA GLN A 59 -3.834 7.068 4.803 1.00 41.51 H new ATOM 0 HB2 GLN A 59 -3.678 7.152 7.803 1.00 60.14 H new ATOM 0 HB3 GLN A 59 -4.764 8.172 6.880 1.00 60.14 H new ATOM 0 HG2 GLN A 59 -4.710 5.129 6.804 1.00 52.22 H new ATOM 0 HG3 GLN A 59 -5.877 6.106 7.674 1.00 52.22 H new ATOM 0 HE21 GLN A 59 -4.786 5.032 4.508 1.00 65.22 H new ATOM 0 HE22 GLN A 59 -6.216 5.564 3.618 1.00 65.22 H new ATOM 989 N GLU A 60 -1.437 8.727 6.302 1.00 14.21 N ATOM 990 CA GLU A 60 -0.619 9.928 6.163 1.00 53.32 C ATOM 991 C GLU A 60 -0.070 10.004 4.738 1.00 22.25 C ATOM 992 O GLU A 60 -0.081 11.071 4.103 1.00 74.42 O ATOM 993 CB GLU A 60 0.547 9.919 7.147 1.00 25.00 C ATOM 994 CG GLU A 60 0.154 9.818 8.606 1.00 33.11 C ATOM 995 CD GLU A 60 1.350 9.880 9.517 1.00 11.53 C ATOM 996 OE1 GLU A 60 2.006 8.846 9.734 1.00 2.00 O ATOM 997 OE2 GLU A 60 1.654 10.978 10.028 1.00 42.14 O ATOM 0 H GLU A 60 -1.100 8.061 6.998 1.00 14.21 H new ATOM 0 HA GLU A 60 -1.245 10.794 6.376 1.00 53.32 H new ATOM 0 HB2 GLU A 60 1.201 9.082 6.904 1.00 25.00 H new ATOM 0 HB3 GLU A 60 1.129 10.830 7.005 1.00 25.00 H new ATOM 0 HG2 GLU A 60 -0.533 10.628 8.853 1.00 33.11 H new ATOM 0 HG3 GLU A 60 -0.381 8.883 8.774 1.00 33.11 H new ATOM 1004 N TYR A 61 0.395 8.852 4.253 1.00 3.23 N ATOM 1005 CA TYR A 61 0.929 8.687 2.901 1.00 15.52 C ATOM 1006 C TYR A 61 -0.084 9.103 1.844 1.00 71.11 C ATOM 1007 O TYR A 61 0.187 9.965 1.004 1.00 12.52 O ATOM 1008 CB TYR A 61 1.339 7.202 2.679 1.00 5.32 C ATOM 1009 CG TYR A 61 1.729 6.867 1.260 1.00 73.01 C ATOM 1010 CD1 TYR A 61 2.794 7.497 0.636 1.00 2.01 C ATOM 1011 CD2 TYR A 61 1.019 5.914 0.547 1.00 31.11 C ATOM 1012 CE1 TYR A 61 3.132 7.191 -0.665 1.00 44.03 C ATOM 1013 CE2 TYR A 61 1.347 5.596 -0.747 1.00 45.13 C ATOM 1014 CZ TYR A 61 2.404 6.240 -1.356 1.00 12.21 C ATOM 1015 OH TYR A 61 2.744 5.928 -2.653 1.00 40.11 O ATOM 0 H TYR A 61 0.411 7.991 4.800 1.00 3.23 H new ATOM 0 HA TYR A 61 1.801 9.333 2.802 1.00 15.52 H new ATOM 0 HB2 TYR A 61 2.175 6.967 3.338 1.00 5.32 H new ATOM 0 HB3 TYR A 61 0.509 6.561 2.976 1.00 5.32 H new ATOM 0 HD1 TYR A 61 3.366 8.237 1.176 1.00 2.01 H new ATOM 0 HD2 TYR A 61 0.189 5.410 1.020 1.00 31.11 H new ATOM 0 HE1 TYR A 61 3.961 7.692 -1.142 1.00 44.03 H new ATOM 0 HE2 TYR A 61 0.783 4.848 -1.284 1.00 45.13 H new ATOM 0 HH TYR A 61 2.135 5.241 -2.995 1.00 40.11 H new ATOM 1025 N LEU A 62 -1.233 8.511 1.914 1.00 4.00 N ATOM 1026 CA LEU A 62 -2.271 8.718 0.955 1.00 42.31 C ATOM 1027 C LEU A 62 -2.937 10.050 1.064 1.00 73.20 C ATOM 1028 O LEU A 62 -3.269 10.636 0.061 1.00 3.10 O ATOM 1029 CB LEU A 62 -3.204 7.561 0.976 1.00 12.52 C ATOM 1030 CG LEU A 62 -2.547 6.327 0.396 1.00 3.20 C ATOM 1031 CD1 LEU A 62 -3.248 5.110 0.803 1.00 64.42 C ATOM 1032 CD2 LEU A 62 -2.503 6.413 -1.117 1.00 51.44 C ATOM 0 H LEU A 62 -1.482 7.856 2.655 1.00 4.00 H new ATOM 0 HA LEU A 62 -1.818 8.759 -0.036 1.00 42.31 H new ATOM 0 HB2 LEU A 62 -3.520 7.362 2.000 1.00 12.52 H new ATOM 0 HB3 LEU A 62 -4.101 7.802 0.406 1.00 12.52 H new ATOM 0 HG LEU A 62 -1.529 6.281 0.783 1.00 3.20 H new ATOM 0 HD11 LEU A 62 -2.751 4.242 0.370 1.00 64.42 H new ATOM 0 HD12 LEU A 62 -3.237 5.030 1.890 1.00 64.42 H new ATOM 0 HD13 LEU A 62 -4.279 5.150 0.453 1.00 64.42 H new ATOM 0 HD21 LEU A 62 -2.028 5.518 -1.519 1.00 51.44 H new ATOM 0 HD22 LEU A 62 -3.518 6.491 -1.507 1.00 51.44 H new ATOM 0 HD23 LEU A 62 -1.932 7.292 -1.415 1.00 51.44 H new ATOM 1044 N GLU A 63 -3.105 10.542 2.275 1.00 2.13 N ATOM 1045 CA GLU A 63 -3.621 11.880 2.480 1.00 40.32 C ATOM 1046 C GLU A 63 -2.699 12.869 1.773 1.00 33.50 C ATOM 1047 O GLU A 63 -3.144 13.730 1.019 1.00 52.24 O ATOM 1048 CB GLU A 63 -3.672 12.171 3.969 1.00 64.35 C ATOM 1049 CG GLU A 63 -4.132 13.550 4.333 1.00 40.41 C ATOM 1050 CD GLU A 63 -4.143 13.745 5.813 1.00 31.44 C ATOM 1051 OE1 GLU A 63 -3.053 13.919 6.409 1.00 62.23 O ATOM 1052 OE2 GLU A 63 -5.229 13.704 6.422 1.00 33.22 O ATOM 0 H GLU A 63 -2.891 10.034 3.133 1.00 2.13 H new ATOM 0 HA GLU A 63 -4.628 11.971 2.072 1.00 40.32 H new ATOM 0 HB2 GLU A 63 -4.335 11.447 4.442 1.00 64.35 H new ATOM 0 HB3 GLU A 63 -2.678 12.014 4.388 1.00 64.35 H new ATOM 0 HG2 GLU A 63 -3.476 14.288 3.872 1.00 40.41 H new ATOM 0 HG3 GLU A 63 -5.132 13.719 3.934 1.00 40.41 H new ATOM 1059 N LYS A 64 -1.407 12.690 1.997 1.00 74.00 N ATOM 1060 CA LYS A 64 -0.383 13.489 1.368 1.00 33.31 C ATOM 1061 C LYS A 64 -0.488 13.453 -0.155 1.00 30.53 C ATOM 1062 O LYS A 64 -0.777 14.463 -0.792 1.00 51.31 O ATOM 1063 CB LYS A 64 0.994 13.012 1.825 1.00 61.11 C ATOM 1064 CG LYS A 64 2.125 13.568 1.009 1.00 1.23 C ATOM 1065 CD LYS A 64 3.454 13.322 1.664 1.00 62.52 C ATOM 1066 CE LYS A 64 4.588 13.914 0.853 1.00 33.15 C ATOM 1067 NZ LYS A 64 5.897 13.710 1.506 1.00 20.12 N ATOM 0 H LYS A 64 -1.042 11.977 2.628 1.00 74.00 H new ATOM 0 HA LYS A 64 -0.527 14.525 1.674 1.00 33.31 H new ATOM 0 HB2 LYS A 64 1.138 13.292 2.869 1.00 61.11 H new ATOM 0 HB3 LYS A 64 1.025 11.923 1.780 1.00 61.11 H new ATOM 0 HG2 LYS A 64 2.117 13.113 0.018 1.00 1.23 H new ATOM 0 HG3 LYS A 64 1.981 14.639 0.869 1.00 1.23 H new ATOM 0 HD2 LYS A 64 3.454 13.756 2.664 1.00 62.52 H new ATOM 0 HD3 LYS A 64 3.610 12.250 1.782 1.00 62.52 H new ATOM 0 HE2 LYS A 64 4.602 13.459 -0.138 1.00 33.15 H new ATOM 0 HE3 LYS A 64 4.415 14.981 0.712 1.00 33.15 H new ATOM 0 HZ1 LYS A 64 6.647 14.129 0.920 1.00 20.12 H new ATOM 0 HZ2 LYS A 64 5.893 14.165 2.441 1.00 20.12 H new ATOM 0 HZ3 LYS A 64 6.074 12.691 1.618 1.00 20.12 H new ATOM 1081 N ALA A 65 -0.260 12.296 -0.701 1.00 64.12 N ATOM 1082 CA ALA A 65 -0.297 12.058 -2.147 1.00 40.42 C ATOM 1083 C ALA A 65 -1.629 12.458 -2.803 1.00 42.14 C ATOM 1084 O ALA A 65 -1.633 12.970 -3.920 1.00 62.22 O ATOM 1085 CB ALA A 65 0.019 10.609 -2.454 1.00 5.23 C ATOM 0 H ALA A 65 -0.037 11.462 -0.158 1.00 64.12 H new ATOM 0 HA ALA A 65 0.468 12.704 -2.579 1.00 40.42 H new ATOM 0 HB1 ALA A 65 -0.013 10.450 -3.532 1.00 5.23 H new ATOM 0 HB2 ALA A 65 1.014 10.367 -2.081 1.00 5.23 H new ATOM 0 HB3 ALA A 65 -0.716 9.966 -1.971 1.00 5.23 H new ATOM 1091 N LEU A 66 -2.745 12.236 -2.126 1.00 72.34 N ATOM 1092 CA LEU A 66 -4.039 12.591 -2.697 1.00 14.30 C ATOM 1093 C LEU A 66 -4.277 14.092 -2.672 1.00 21.20 C ATOM 1094 O LEU A 66 -4.901 14.647 -3.584 1.00 41.14 O ATOM 1095 CB LEU A 66 -5.198 11.832 -2.043 1.00 75.35 C ATOM 1096 CG LEU A 66 -5.204 10.304 -2.238 1.00 62.10 C ATOM 1097 CD1 LEU A 66 -6.385 9.678 -1.518 1.00 13.52 C ATOM 1098 CD2 LEU A 66 -5.228 9.941 -3.717 1.00 60.32 C ATOM 0 H LEU A 66 -2.784 11.819 -1.196 1.00 72.34 H new ATOM 0 HA LEU A 66 -4.007 12.280 -3.741 1.00 14.30 H new ATOM 0 HB2 LEU A 66 -5.185 12.041 -0.973 1.00 75.35 H new ATOM 0 HB3 LEU A 66 -6.134 12.231 -2.434 1.00 75.35 H new ATOM 0 HG LEU A 66 -4.285 9.907 -1.807 1.00 62.10 H new ATOM 0 HD11 LEU A 66 -6.372 8.598 -1.668 1.00 13.52 H new ATOM 0 HD12 LEU A 66 -6.319 9.897 -0.452 1.00 13.52 H new ATOM 0 HD13 LEU A 66 -7.313 10.088 -1.916 1.00 13.52 H new ATOM 0 HD21 LEU A 66 -5.232 8.856 -3.825 1.00 60.32 H new ATOM 0 HD22 LEU A 66 -6.124 10.355 -4.179 1.00 60.32 H new ATOM 0 HD23 LEU A 66 -4.345 10.352 -4.207 1.00 60.32 H new ATOM 1110 N ASN A 67 -3.788 14.762 -1.646 1.00 11.12 N ATOM 1111 CA ASN A 67 -3.914 16.220 -1.583 1.00 51.34 C ATOM 1112 C ASN A 67 -2.910 16.877 -2.500 1.00 42.43 C ATOM 1113 O ASN A 67 -3.143 17.973 -2.997 1.00 75.51 O ATOM 1114 CB ASN A 67 -3.759 16.765 -0.157 1.00 10.31 C ATOM 1115 CG ASN A 67 -4.869 16.332 0.775 1.00 44.21 C ATOM 1116 OD1 ASN A 67 -6.000 16.106 0.352 1.00 54.25 O ATOM 1117 ND2 ASN A 67 -4.565 16.234 2.042 1.00 34.21 N ATOM 0 H ASN A 67 -3.307 14.337 -0.854 1.00 11.12 H new ATOM 0 HA ASN A 67 -4.924 16.463 -1.914 1.00 51.34 H new ATOM 0 HB2 ASN A 67 -2.803 16.433 0.249 1.00 10.31 H new ATOM 0 HB3 ASN A 67 -3.729 17.854 -0.193 1.00 10.31 H new ATOM 0 HD21 ASN A 67 -5.279 15.962 2.718 1.00 34.21 H new ATOM 0 HD22 ASN A 67 -3.614 16.430 2.355 1.00 34.21 H new ATOM 1124 N LYS A 68 -1.803 16.195 -2.721 1.00 33.51 N ATOM 1125 CA LYS A 68 -0.739 16.662 -3.584 1.00 61.34 C ATOM 1126 C LYS A 68 -1.237 16.807 -5.015 1.00 74.54 C ATOM 1127 O LYS A 68 -1.423 15.782 -5.701 1.00 39.15 O ATOM 1128 CB LYS A 68 0.458 15.717 -3.512 1.00 30.25 C ATOM 1129 CG LYS A 68 1.649 16.159 -4.337 1.00 73.12 C ATOM 1130 CD LYS A 68 2.804 15.215 -4.147 1.00 74.25 C ATOM 1131 CE LYS A 68 3.999 15.619 -4.990 1.00 73.31 C ATOM 1132 NZ LYS A 68 5.146 14.713 -4.789 1.00 65.24 N ATOM 1133 OXT LYS A 68 -1.451 17.954 -5.455 1.00 39.15 O ATOM 0 H LYS A 68 -1.616 15.286 -2.298 1.00 33.51 H new ATOM 0 HA LYS A 68 -0.416 17.644 -3.240 1.00 61.34 H new ATOM 0 HB2 LYS A 68 0.767 15.619 -2.471 1.00 30.25 H new ATOM 0 HB3 LYS A 68 0.146 14.727 -3.846 1.00 30.25 H new ATOM 0 HG2 LYS A 68 1.374 16.198 -5.391 1.00 73.12 H new ATOM 0 HG3 LYS A 68 1.945 17.167 -4.047 1.00 73.12 H new ATOM 0 HD2 LYS A 68 3.090 15.195 -3.095 1.00 74.25 H new ATOM 0 HD3 LYS A 68 2.496 14.204 -4.412 1.00 74.25 H new ATOM 0 HE2 LYS A 68 3.717 15.619 -6.043 1.00 73.31 H new ATOM 0 HE3 LYS A 68 4.293 16.638 -4.738 1.00 73.31 H new ATOM 0 HZ1 LYS A 68 5.942 15.023 -5.383 1.00 65.24 H new ATOM 0 HZ2 LYS A 68 5.432 14.732 -3.789 1.00 65.24 H new ATOM 0 HZ3 LYS A 68 4.874 13.745 -5.053 1.00 65.24 H new TER 1147 LYS A 68