USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=12 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 -120:sc= 0.00272 USER MOD Set 1.2: A 37 GLN : amide:sc= -5.1! C(o=-5.1!,f=-8.2!) USER MOD Single : A 1 LYS N :NH3+ 132:sc= 0.0896 (180deg=-0.0493) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 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 X(o=0,f=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.977 F(o=-1.7!,f=-0.98) 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+ -164:sc= -0.0459 (180deg=-0.309) USER MOD Single : A 30 ASN : amide:sc=-0.000777 X(o=-0.00078,f=-0.00032) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 45 ASN : amide:sc= -2.49! C(o=-2.5!,f=-3.4!) USER MOD Single : A 46 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.32) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.16) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0907 X(o=-0.091,f=-0.13) 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 K(o=0,f=-0.74) USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= -0.0345 (180deg=-0.204) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -2.747 -26.665 -6.763 1.00 71.00 N ATOM 2 CA LYS A 1 -2.158 -25.324 -6.745 1.00 75.42 C ATOM 3 C LYS A 1 -3.160 -24.306 -7.255 1.00 74.52 C ATOM 4 O LYS A 1 -4.050 -24.651 -8.027 1.00 71.14 O ATOM 5 CB LYS A 1 -0.894 -25.278 -7.635 1.00 73.25 C ATOM 6 CG LYS A 1 -1.150 -25.616 -9.108 1.00 3.14 C ATOM 7 CD LYS A 1 0.110 -25.493 -9.958 1.00 12.42 C ATOM 8 CE LYS A 1 0.645 -24.064 -9.992 1.00 74.25 C ATOM 9 NZ LYS A 1 1.879 -23.944 -10.804 1.00 53.45 N ATOM 0 H1 LYS A 1 -2.083 -27.330 -7.208 1.00 71.00 H new ATOM 0 H2 LYS A 1 -2.943 -26.971 -5.789 1.00 71.00 H new ATOM 0 H3 LYS A 1 -3.634 -26.647 -7.305 1.00 71.00 H new ATOM 0 HA LYS A 1 -1.885 -25.085 -5.717 1.00 75.42 H new ATOM 0 HB2 LYS A 1 -0.456 -24.282 -7.573 1.00 73.25 H new ATOM 0 HB3 LYS A 1 -0.157 -25.975 -7.237 1.00 73.25 H new ATOM 0 HG2 LYS A 1 -1.538 -26.632 -9.183 1.00 3.14 H new ATOM 0 HG3 LYS A 1 -1.918 -24.951 -9.503 1.00 3.14 H new ATOM 0 HD2 LYS A 1 0.879 -26.158 -9.564 1.00 12.42 H new ATOM 0 HD3 LYS A 1 -0.106 -25.823 -10.974 1.00 12.42 H new ATOM 0 HE2 LYS A 1 -0.120 -23.402 -10.398 1.00 74.25 H new ATOM 0 HE3 LYS A 1 0.849 -23.730 -8.974 1.00 74.25 H new ATOM 0 HZ1 LYS A 1 2.204 -22.956 -10.797 1.00 53.45 H new ATOM 0 HZ2 LYS A 1 2.619 -24.555 -10.403 1.00 53.45 H new ATOM 0 HZ3 LYS A 1 1.681 -24.236 -11.782 1.00 53.45 H new ATOM 23 N PRO A 2 -3.068 -23.049 -6.806 1.00 23.13 N ATOM 24 CA PRO A 2 -3.884 -21.982 -7.354 1.00 31.43 C ATOM 25 C PRO A 2 -3.317 -21.532 -8.708 1.00 42.44 C ATOM 26 O PRO A 2 -2.161 -21.110 -8.800 1.00 72.24 O ATOM 27 CB PRO A 2 -3.771 -20.865 -6.315 1.00 53.33 C ATOM 28 CG PRO A 2 -2.460 -21.098 -5.631 1.00 25.45 C ATOM 29 CD PRO A 2 -2.190 -22.578 -5.707 1.00 64.02 C ATOM 0 HA PRO A 2 -4.918 -22.278 -7.534 1.00 31.43 H new ATOM 0 HB2 PRO A 2 -3.800 -19.883 -6.787 1.00 53.33 H new ATOM 0 HB3 PRO A 2 -4.598 -20.902 -5.605 1.00 53.33 H new ATOM 0 HG2 PRO A 2 -1.664 -20.534 -6.117 1.00 25.45 H new ATOM 0 HG3 PRO A 2 -2.500 -20.764 -4.594 1.00 25.45 H new ATOM 0 HD2 PRO A 2 -1.141 -22.781 -5.920 1.00 64.02 H new ATOM 0 HD3 PRO A 2 -2.427 -23.075 -4.766 1.00 64.02 H new ATOM 37 N VAL A 3 -4.110 -21.644 -9.744 1.00 53.13 N ATOM 38 CA VAL A 3 -3.662 -21.293 -11.087 1.00 25.21 C ATOM 39 C VAL A 3 -3.926 -19.799 -11.369 1.00 1.24 C ATOM 40 O VAL A 3 -3.355 -19.207 -12.303 1.00 40.32 O ATOM 41 CB VAL A 3 -4.351 -22.205 -12.157 1.00 2.25 C ATOM 42 CG1 VAL A 3 -5.860 -22.038 -12.149 1.00 3.01 C ATOM 43 CG2 VAL A 3 -3.775 -21.987 -13.552 1.00 52.13 C ATOM 0 H VAL A 3 -5.073 -21.975 -9.693 1.00 53.13 H new ATOM 0 HA VAL A 3 -2.587 -21.463 -11.151 1.00 25.21 H new ATOM 0 HB VAL A 3 -4.134 -23.236 -11.878 1.00 2.25 H new ATOM 0 HG11 VAL A 3 -6.302 -22.687 -12.905 1.00 3.01 H new ATOM 0 HG12 VAL A 3 -6.251 -22.306 -11.167 1.00 3.01 H new ATOM 0 HG13 VAL A 3 -6.112 -21.001 -12.369 1.00 3.01 H new ATOM 0 HG21 VAL A 3 -4.283 -22.640 -14.261 1.00 52.13 H new ATOM 0 HG22 VAL A 3 -3.920 -20.948 -13.847 1.00 52.13 H new ATOM 0 HG23 VAL A 3 -2.709 -22.217 -13.546 1.00 52.13 H new ATOM 53 N SER A 4 -4.766 -19.215 -10.522 1.00 74.21 N ATOM 54 CA SER A 4 -5.162 -17.823 -10.585 1.00 32.42 C ATOM 55 C SER A 4 -6.143 -17.547 -11.730 1.00 11.32 C ATOM 56 O SER A 4 -5.768 -17.085 -12.816 1.00 74.14 O ATOM 57 CB SER A 4 -3.962 -16.856 -10.580 1.00 73.41 C ATOM 58 OG SER A 4 -3.165 -17.046 -9.407 1.00 55.11 O ATOM 0 H SER A 4 -5.201 -19.719 -9.749 1.00 74.21 H new ATOM 0 HA SER A 4 -5.705 -17.621 -9.662 1.00 32.42 H new ATOM 0 HB2 SER A 4 -3.354 -17.019 -11.470 1.00 73.41 H new ATOM 0 HB3 SER A 4 -4.318 -15.827 -10.621 1.00 73.41 H new ATOM 0 HG SER A 4 -2.407 -16.425 -9.422 1.00 55.11 H new ATOM 64 N LEU A 5 -7.385 -17.902 -11.477 1.00 1.14 N ATOM 65 CA LEU A 5 -8.496 -17.690 -12.376 1.00 51.15 C ATOM 66 C LEU A 5 -9.662 -17.238 -11.539 1.00 32.41 C ATOM 67 O LEU A 5 -9.533 -17.178 -10.307 1.00 1.43 O ATOM 68 CB LEU A 5 -8.870 -18.985 -13.133 1.00 32.43 C ATOM 69 CG LEU A 5 -7.848 -19.527 -14.144 1.00 73.34 C ATOM 70 CD1 LEU A 5 -8.332 -20.844 -14.728 1.00 71.02 C ATOM 71 CD2 LEU A 5 -7.621 -18.520 -15.265 1.00 75.14 C ATOM 0 H LEU A 5 -7.657 -18.362 -10.608 1.00 1.14 H new ATOM 0 HA LEU A 5 -8.226 -16.946 -13.125 1.00 51.15 H new ATOM 0 HB2 LEU A 5 -9.061 -19.764 -12.395 1.00 32.43 H new ATOM 0 HB3 LEU A 5 -9.807 -18.809 -13.661 1.00 32.43 H new ATOM 0 HG LEU A 5 -6.905 -19.693 -13.622 1.00 73.34 H new ATOM 0 HD11 LEU A 5 -7.598 -21.217 -15.443 1.00 71.02 H new ATOM 0 HD12 LEU A 5 -8.460 -21.572 -13.927 1.00 71.02 H new ATOM 0 HD13 LEU A 5 -9.285 -20.689 -15.234 1.00 71.02 H new ATOM 0 HD21 LEU A 5 -6.894 -18.920 -15.972 1.00 75.14 H new ATOM 0 HD22 LEU A 5 -8.563 -18.331 -15.780 1.00 75.14 H new ATOM 0 HD23 LEU A 5 -7.243 -17.588 -14.845 1.00 75.14 H new ATOM 83 N SER A 6 -10.784 -16.923 -12.187 1.00 13.12 N ATOM 84 CA SER A 6 -11.985 -16.461 -11.501 1.00 35.12 C ATOM 85 C SER A 6 -11.719 -15.131 -10.752 1.00 12.51 C ATOM 86 O SER A 6 -10.698 -14.461 -10.993 1.00 75.44 O ATOM 87 CB SER A 6 -12.505 -17.560 -10.563 1.00 5.15 C ATOM 88 OG SER A 6 -12.761 -18.759 -11.292 1.00 55.31 O ATOM 0 H SER A 6 -10.883 -16.982 -13.200 1.00 13.12 H new ATOM 0 HA SER A 6 -12.761 -16.255 -12.238 1.00 35.12 H new ATOM 0 HB2 SER A 6 -11.773 -17.753 -9.779 1.00 5.15 H new ATOM 0 HB3 SER A 6 -13.418 -17.225 -10.071 1.00 5.15 H new ATOM 0 HG SER A 6 -13.090 -19.450 -10.680 1.00 55.31 H new ATOM 94 N TYR A 7 -12.620 -14.734 -9.893 1.00 15.32 N ATOM 95 CA TYR A 7 -12.461 -13.486 -9.182 1.00 50.11 C ATOM 96 C TYR A 7 -11.661 -13.678 -7.915 1.00 44.21 C ATOM 97 O TYR A 7 -12.158 -14.211 -6.920 1.00 43.25 O ATOM 98 CB TYR A 7 -13.807 -12.842 -8.868 1.00 50.22 C ATOM 99 CG TYR A 7 -14.593 -12.415 -10.087 1.00 4.51 C ATOM 100 CD1 TYR A 7 -15.371 -13.320 -10.785 1.00 3.33 C ATOM 101 CD2 TYR A 7 -14.564 -11.100 -10.528 1.00 31.50 C ATOM 102 CE1 TYR A 7 -16.098 -12.931 -11.884 1.00 54.12 C ATOM 103 CE2 TYR A 7 -15.289 -10.702 -11.634 1.00 32.42 C ATOM 104 CZ TYR A 7 -16.056 -11.625 -12.305 1.00 1.13 C ATOM 105 OH TYR A 7 -16.797 -11.239 -13.403 1.00 64.21 O ATOM 0 H TYR A 7 -13.469 -15.252 -9.667 1.00 15.32 H new ATOM 0 HA TYR A 7 -11.911 -12.811 -9.838 1.00 50.11 H new ATOM 0 HB2 TYR A 7 -14.407 -13.546 -8.291 1.00 50.22 H new ATOM 0 HB3 TYR A 7 -13.641 -11.971 -8.234 1.00 50.22 H new ATOM 0 HD1 TYR A 7 -15.408 -14.350 -10.461 1.00 3.33 H new ATOM 0 HD2 TYR A 7 -13.964 -10.375 -9.997 1.00 31.50 H new ATOM 0 HE1 TYR A 7 -16.702 -13.652 -12.416 1.00 54.12 H new ATOM 0 HE2 TYR A 7 -15.254 -9.676 -11.969 1.00 32.42 H new ATOM 0 HH TYR A 7 -16.659 -10.283 -13.571 1.00 64.21 H new ATOM 115 N ARG A 8 -10.423 -13.278 -7.966 1.00 25.42 N ATOM 116 CA ARG A 8 -9.541 -13.354 -6.824 1.00 42.54 C ATOM 117 C ARG A 8 -8.899 -12.002 -6.587 1.00 60.31 C ATOM 118 O ARG A 8 -8.997 -11.108 -7.432 1.00 60.31 O ATOM 119 CB ARG A 8 -8.431 -14.381 -7.038 1.00 63.12 C ATOM 120 CG ARG A 8 -7.555 -14.093 -8.248 1.00 21.33 C ATOM 121 CD ARG A 8 -6.265 -14.881 -8.195 1.00 53.41 C ATOM 122 NE ARG A 8 -5.456 -14.491 -7.025 1.00 34.24 N ATOM 123 CZ ARG A 8 -4.167 -14.112 -7.057 1.00 10.32 C ATOM 124 NH1 ARG A 8 -3.517 -14.008 -8.217 1.00 34.41 N ATOM 125 NH2 ARG A 8 -3.546 -13.806 -5.922 1.00 72.40 N ATOM 0 H ARG A 8 -9.989 -12.887 -8.802 1.00 25.42 H new ATOM 0 HA ARG A 8 -10.140 -13.656 -5.965 1.00 42.54 H new ATOM 0 HB2 ARG A 8 -7.804 -14.416 -6.147 1.00 63.12 H new ATOM 0 HB3 ARG A 8 -8.879 -15.368 -7.152 1.00 63.12 H new ATOM 0 HG2 ARG A 8 -8.098 -14.342 -9.160 1.00 21.33 H new ATOM 0 HG3 ARG A 8 -7.331 -13.027 -8.291 1.00 21.33 H new ATOM 0 HD2 ARG A 8 -6.487 -15.947 -8.149 1.00 53.41 H new ATOM 0 HD3 ARG A 8 -5.694 -14.714 -9.108 1.00 53.41 H new ATOM 0 HE ARG A 8 -5.914 -14.511 -6.114 1.00 34.24 H new ATOM 0 HH11 ARG A 8 -3.998 -14.217 -9.092 1.00 34.41 H new ATOM 0 HH12 ARG A 8 -2.539 -13.719 -8.229 1.00 34.41 H new ATOM 0 HH21 ARG A 8 -4.048 -13.860 -5.036 1.00 72.40 H new ATOM 0 HH22 ARG A 8 -2.568 -13.517 -5.938 1.00 72.40 H new ATOM 139 N CYS A 9 -8.232 -11.855 -5.476 1.00 5.35 N ATOM 140 CA CYS A 9 -7.562 -10.620 -5.183 1.00 35.32 C ATOM 141 C CYS A 9 -6.053 -10.821 -5.188 1.00 21.02 C ATOM 142 O CYS A 9 -5.563 -11.838 -4.690 1.00 62.31 O ATOM 143 CB CYS A 9 -8.022 -10.075 -3.833 1.00 12.44 C ATOM 144 SG CYS A 9 -9.812 -9.762 -3.746 1.00 3.02 S ATOM 0 H CYS A 9 -8.138 -12.575 -4.759 1.00 5.35 H new ATOM 0 HA CYS A 9 -7.817 -9.894 -5.956 1.00 35.32 H new ATOM 0 HB2 CYS A 9 -7.747 -10.784 -3.052 1.00 12.44 H new ATOM 0 HB3 CYS A 9 -7.489 -9.148 -3.624 1.00 12.44 H new ATOM 149 N PRO A 10 -5.299 -9.863 -5.784 1.00 24.33 N ATOM 150 CA PRO A 10 -3.821 -9.887 -5.819 1.00 20.24 C ATOM 151 C PRO A 10 -3.198 -10.054 -4.426 1.00 62.41 C ATOM 152 O PRO A 10 -2.176 -10.723 -4.270 1.00 41.51 O ATOM 153 CB PRO A 10 -3.468 -8.515 -6.405 1.00 24.43 C ATOM 154 CG PRO A 10 -4.636 -8.167 -7.249 1.00 72.22 C ATOM 155 CD PRO A 10 -5.837 -8.705 -6.528 1.00 43.05 C ATOM 0 HA PRO A 10 -3.439 -10.730 -6.395 1.00 20.24 H new ATOM 0 HB2 PRO A 10 -3.310 -7.776 -5.620 1.00 24.43 H new ATOM 0 HB3 PRO A 10 -2.551 -8.557 -6.993 1.00 24.43 H new ATOM 0 HG2 PRO A 10 -4.712 -7.088 -7.385 1.00 72.22 H new ATOM 0 HG3 PRO A 10 -4.546 -8.608 -8.242 1.00 72.22 H new ATOM 0 HD2 PRO A 10 -6.269 -7.962 -5.858 1.00 43.05 H new ATOM 0 HD3 PRO A 10 -6.622 -9.003 -7.222 1.00 43.05 H new ATOM 163 N CYS A 11 -3.811 -9.448 -3.434 1.00 1.40 N ATOM 164 CA CYS A 11 -3.361 -9.567 -2.070 1.00 12.54 C ATOM 165 C CYS A 11 -4.513 -9.833 -1.141 1.00 21.42 C ATOM 166 O CYS A 11 -5.345 -8.965 -0.917 1.00 44.44 O ATOM 167 CB CYS A 11 -2.596 -8.319 -1.598 1.00 11.43 C ATOM 168 SG CYS A 11 -0.968 -8.056 -2.368 1.00 23.32 S ATOM 0 H CYS A 11 -4.635 -8.859 -3.553 1.00 1.40 H new ATOM 0 HA CYS A 11 -2.675 -10.414 -2.044 1.00 12.54 H new ATOM 0 HB2 CYS A 11 -3.214 -7.442 -1.789 1.00 11.43 H new ATOM 0 HB3 CYS A 11 -2.461 -8.384 -0.518 1.00 11.43 H new ATOM 173 N ARG A 12 -4.598 -11.041 -0.643 1.00 23.44 N ATOM 174 CA ARG A 12 -5.578 -11.358 0.362 1.00 44.03 C ATOM 175 C ARG A 12 -4.957 -11.203 1.732 1.00 34.21 C ATOM 176 O ARG A 12 -5.650 -11.025 2.730 1.00 43.53 O ATOM 177 CB ARG A 12 -6.142 -12.763 0.199 1.00 60.42 C ATOM 178 CG ARG A 12 -6.880 -12.990 -1.102 1.00 5.41 C ATOM 179 CD ARG A 12 -7.550 -14.345 -1.104 1.00 34.15 C ATOM 180 NE ARG A 12 -8.555 -14.456 -0.026 1.00 32.11 N ATOM 181 CZ ARG A 12 -9.366 -15.505 0.173 1.00 63.44 C ATOM 182 NH1 ARG A 12 -9.330 -16.546 -0.645 1.00 1.00 N ATOM 183 NH2 ARG A 12 -10.231 -15.490 1.185 1.00 13.14 N ATOM 0 H ARG A 12 -4.000 -11.820 -0.918 1.00 23.44 H new ATOM 0 HA ARG A 12 -6.411 -10.665 0.246 1.00 44.03 H new ATOM 0 HB2 ARG A 12 -5.325 -13.481 0.270 1.00 60.42 H new ATOM 0 HB3 ARG A 12 -6.819 -12.969 1.028 1.00 60.42 H new ATOM 0 HG2 ARG A 12 -7.627 -12.209 -1.244 1.00 5.41 H new ATOM 0 HG3 ARG A 12 -6.184 -12.921 -1.938 1.00 5.41 H new ATOM 0 HD2 ARG A 12 -8.030 -14.513 -2.068 1.00 34.15 H new ATOM 0 HD3 ARG A 12 -6.797 -15.124 -0.982 1.00 34.15 H new ATOM 0 HE ARG A 12 -8.638 -13.670 0.619 1.00 32.11 H new ATOM 0 HH11 ARG A 12 -8.682 -16.553 -1.433 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -9.950 -17.340 -0.487 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -10.275 -14.682 1.806 1.00 13.14 H new ATOM 0 HH22 ARG A 12 -10.849 -16.286 1.339 1.00 13.14 H new ATOM 197 N PHE A 13 -3.648 -11.266 1.774 1.00 74.32 N ATOM 198 CA PHE A 13 -2.925 -11.091 3.001 1.00 71.32 C ATOM 199 C PHE A 13 -2.172 -9.776 2.964 1.00 44.00 C ATOM 200 O PHE A 13 -1.593 -9.418 1.946 1.00 74.10 O ATOM 201 CB PHE A 13 -1.978 -12.285 3.287 1.00 3.14 C ATOM 202 CG PHE A 13 -0.937 -12.555 2.222 1.00 65.40 C ATOM 203 CD1 PHE A 13 -1.217 -13.397 1.156 1.00 52.21 C ATOM 204 CD2 PHE A 13 0.318 -11.971 2.296 1.00 53.14 C ATOM 205 CE1 PHE A 13 -0.267 -13.647 0.187 1.00 51.12 C ATOM 206 CE2 PHE A 13 1.270 -12.218 1.329 1.00 25.15 C ATOM 207 CZ PHE A 13 0.978 -13.056 0.273 1.00 14.22 C ATOM 0 H PHE A 13 -3.060 -11.440 0.959 1.00 74.32 H new ATOM 0 HA PHE A 13 -3.639 -11.062 3.824 1.00 71.32 H new ATOM 0 HB2 PHE A 13 -1.468 -12.104 4.233 1.00 3.14 H new ATOM 0 HB3 PHE A 13 -2.582 -13.183 3.417 1.00 3.14 H new ATOM 0 HD1 PHE A 13 -2.189 -13.862 1.084 1.00 52.21 H new ATOM 0 HD2 PHE A 13 0.553 -11.315 3.121 1.00 53.14 H new ATOM 0 HE1 PHE A 13 -0.497 -14.305 -0.638 1.00 51.12 H new ATOM 0 HE2 PHE A 13 2.243 -11.756 1.399 1.00 25.15 H new ATOM 0 HZ PHE A 13 1.722 -13.250 -0.485 1.00 14.22 H new ATOM 217 N PHE A 14 -2.230 -9.052 4.040 1.00 53.44 N ATOM 218 CA PHE A 14 -1.565 -7.768 4.171 1.00 3.35 C ATOM 219 C PHE A 14 -0.893 -7.741 5.510 1.00 74.34 C ATOM 220 O PHE A 14 -1.334 -8.423 6.438 1.00 62.33 O ATOM 221 CB PHE A 14 -2.571 -6.623 4.158 1.00 4.13 C ATOM 222 CG PHE A 14 -3.507 -6.548 2.993 1.00 51.23 C ATOM 223 CD1 PHE A 14 -3.118 -5.965 1.808 1.00 23.42 C ATOM 224 CD2 PHE A 14 -4.794 -7.043 3.103 1.00 11.44 C ATOM 225 CE1 PHE A 14 -3.990 -5.878 0.749 1.00 42.52 C ATOM 226 CE2 PHE A 14 -5.673 -6.958 2.053 1.00 13.14 C ATOM 227 CZ PHE A 14 -5.273 -6.374 0.873 1.00 71.15 C ATOM 0 H PHE A 14 -2.747 -9.332 4.873 1.00 53.44 H new ATOM 0 HA PHE A 14 -0.867 -7.648 3.342 1.00 3.35 H new ATOM 0 HB2 PHE A 14 -3.168 -6.688 5.067 1.00 4.13 H new ATOM 0 HB3 PHE A 14 -2.017 -5.686 4.207 1.00 4.13 H new ATOM 0 HD1 PHE A 14 -2.117 -5.572 1.709 1.00 23.42 H new ATOM 0 HD2 PHE A 14 -5.111 -7.502 4.028 1.00 11.44 H new ATOM 0 HE1 PHE A 14 -3.673 -5.423 -0.178 1.00 42.52 H new ATOM 0 HE2 PHE A 14 -6.675 -7.348 2.152 1.00 13.14 H new ATOM 0 HZ PHE A 14 -5.962 -6.304 0.044 1.00 71.15 H new ATOM 237 N GLU A 15 0.167 -7.019 5.624 1.00 50.03 N ATOM 238 CA GLU A 15 0.781 -6.829 6.872 1.00 15.52 C ATOM 239 C GLU A 15 0.128 -5.598 7.518 1.00 21.04 C ATOM 240 O GLU A 15 0.113 -4.516 6.928 1.00 1.24 O ATOM 241 CB GLU A 15 2.289 -6.667 6.678 1.00 60.21 C ATOM 242 CG GLU A 15 3.047 -6.542 7.963 1.00 52.33 C ATOM 243 CD GLU A 15 4.545 -6.619 7.776 1.00 30.05 C ATOM 244 OE1 GLU A 15 5.090 -7.751 7.764 1.00 72.50 O ATOM 245 OE2 GLU A 15 5.201 -5.587 7.657 1.00 2.53 O ATOM 0 H GLU A 15 0.627 -6.546 4.846 1.00 50.03 H new ATOM 0 HA GLU A 15 0.644 -7.685 7.532 1.00 15.52 H new ATOM 0 HB2 GLU A 15 2.670 -7.524 6.123 1.00 60.21 H new ATOM 0 HB3 GLU A 15 2.476 -5.783 6.068 1.00 60.21 H new ATOM 0 HG2 GLU A 15 2.794 -5.593 8.437 1.00 52.33 H new ATOM 0 HG3 GLU A 15 2.730 -7.333 8.643 1.00 52.33 H new ATOM 252 N SER A 16 -0.443 -5.773 8.695 1.00 44.43 N ATOM 253 CA SER A 16 -1.168 -4.704 9.358 1.00 53.53 C ATOM 254 C SER A 16 -0.281 -3.958 10.352 1.00 63.14 C ATOM 255 O SER A 16 -0.764 -3.224 11.215 1.00 12.40 O ATOM 256 CB SER A 16 -2.422 -5.265 10.038 1.00 54.45 C ATOM 257 OG SER A 16 -2.096 -6.301 10.955 1.00 13.01 O ATOM 0 H SER A 16 -0.419 -6.650 9.215 1.00 44.43 H new ATOM 0 HA SER A 16 -1.478 -3.979 8.605 1.00 53.53 H new ATOM 0 HB2 SER A 16 -2.943 -4.464 10.562 1.00 54.45 H new ATOM 0 HB3 SER A 16 -3.107 -5.649 9.282 1.00 54.45 H new ATOM 0 HG SER A 16 -2.916 -6.637 11.374 1.00 13.01 H new ATOM 263 N HIS A 17 0.999 -4.139 10.221 1.00 51.23 N ATOM 264 CA HIS A 17 1.958 -3.440 11.026 1.00 61.25 C ATOM 265 C HIS A 17 3.255 -3.380 10.260 1.00 51.34 C ATOM 266 O HIS A 17 4.083 -4.273 10.353 1.00 4.11 O ATOM 267 CB HIS A 17 2.136 -4.100 12.410 1.00 23.53 C ATOM 268 CG HIS A 17 3.070 -3.374 13.337 1.00 65.21 C ATOM 269 ND1 HIS A 17 2.661 -2.372 14.186 1.00 44.41 N ATOM 270 CD2 HIS A 17 4.390 -3.521 13.552 1.00 40.03 C ATOM 271 CE1 HIS A 17 3.689 -1.941 14.878 1.00 13.44 C ATOM 272 NE2 HIS A 17 4.750 -2.621 14.514 1.00 35.52 N ATOM 0 H HIS A 17 1.412 -4.782 9.546 1.00 51.23 H new ATOM 0 HA HIS A 17 1.603 -2.429 11.226 1.00 61.25 H new ATOM 0 HB2 HIS A 17 1.160 -4.178 12.888 1.00 23.53 H new ATOM 0 HB3 HIS A 17 2.504 -5.116 12.268 1.00 23.53 H new ATOM 0 HD2 HIS A 17 5.045 -4.222 13.055 1.00 40.03 H new ATOM 0 HE1 HIS A 17 3.666 -1.158 15.622 1.00 13.44 H new ATOM 0 HE2 HIS A 17 5.691 -2.498 14.888 1.00 35.52 H new ATOM 281 N VAL A 18 3.387 -2.360 9.466 1.00 3.23 N ATOM 282 CA VAL A 18 4.517 -2.212 8.582 1.00 40.10 C ATOM 283 C VAL A 18 5.352 -1.020 9.014 1.00 53.24 C ATOM 284 O VAL A 18 4.811 -0.022 9.491 1.00 52.12 O ATOM 285 CB VAL A 18 4.039 -1.977 7.120 1.00 41.43 C ATOM 286 CG1 VAL A 18 5.211 -1.882 6.151 1.00 21.21 C ATOM 287 CG2 VAL A 18 3.084 -3.065 6.682 1.00 0.53 C ATOM 0 H VAL A 18 2.711 -1.598 9.409 1.00 3.23 H new ATOM 0 HA VAL A 18 5.110 -3.126 8.628 1.00 40.10 H new ATOM 0 HB VAL A 18 3.513 -1.022 7.103 1.00 41.43 H new ATOM 0 HG11 VAL A 18 4.836 -1.718 5.141 1.00 21.21 H new ATOM 0 HG12 VAL A 18 5.854 -1.051 6.439 1.00 21.21 H new ATOM 0 HG13 VAL A 18 5.783 -2.810 6.179 1.00 21.21 H new ATOM 0 HG21 VAL A 18 2.765 -2.878 5.657 1.00 0.53 H new ATOM 0 HG22 VAL A 18 3.585 -4.032 6.735 1.00 0.53 H new ATOM 0 HG23 VAL A 18 2.213 -3.071 7.338 1.00 0.53 H new ATOM 297 N ALA A 19 6.644 -1.118 8.873 1.00 22.32 N ATOM 298 CA ALA A 19 7.501 -0.015 9.200 1.00 63.05 C ATOM 299 C ALA A 19 7.886 0.726 7.925 1.00 41.51 C ATOM 300 O ALA A 19 8.423 0.131 6.983 1.00 62.35 O ATOM 301 CB ALA A 19 8.733 -0.492 9.952 1.00 41.23 C ATOM 0 H ALA A 19 7.126 -1.950 8.534 1.00 22.32 H new ATOM 0 HA ALA A 19 6.965 0.671 9.856 1.00 63.05 H new ATOM 0 HB1 ALA A 19 9.368 0.362 10.189 1.00 41.23 H new ATOM 0 HB2 ALA A 19 8.428 -0.985 10.875 1.00 41.23 H new ATOM 0 HB3 ALA A 19 9.288 -1.196 9.332 1.00 41.23 H new ATOM 307 N ARG A 20 7.626 2.015 7.898 1.00 60.40 N ATOM 308 CA ARG A 20 7.900 2.840 6.731 1.00 32.12 C ATOM 309 C ARG A 20 9.405 3.012 6.512 1.00 73.41 C ATOM 310 O ARG A 20 9.868 3.279 5.399 1.00 42.24 O ATOM 311 CB ARG A 20 7.185 4.178 6.863 1.00 4.14 C ATOM 312 CG ARG A 20 7.390 5.129 5.706 1.00 25.32 C ATOM 313 CD ARG A 20 6.490 6.323 5.856 1.00 54.24 C ATOM 314 NE ARG A 20 6.677 7.301 4.790 1.00 23.40 N ATOM 315 CZ ARG A 20 5.894 8.366 4.591 1.00 22.34 C ATOM 316 NH1 ARG A 20 4.846 8.596 5.383 1.00 75.54 N ATOM 317 NH2 ARG A 20 6.160 9.204 3.604 1.00 2.14 N ATOM 0 H ARG A 20 7.219 2.525 8.682 1.00 60.40 H new ATOM 0 HA ARG A 20 7.513 2.336 5.845 1.00 32.12 H new ATOM 0 HB2 ARG A 20 6.117 3.992 6.976 1.00 4.14 H new ATOM 0 HB3 ARG A 20 7.523 4.665 7.778 1.00 4.14 H new ATOM 0 HG2 ARG A 20 8.431 5.450 5.669 1.00 25.32 H new ATOM 0 HG3 ARG A 20 7.180 4.621 4.765 1.00 25.32 H new ATOM 0 HD2 ARG A 20 5.451 5.992 5.863 1.00 54.24 H new ATOM 0 HD3 ARG A 20 6.680 6.798 6.818 1.00 54.24 H new ATOM 0 HE ARG A 20 7.460 7.162 4.152 1.00 23.40 H new ATOM 0 HH11 ARG A 20 4.636 7.956 6.149 1.00 75.54 H new ATOM 0 HH12 ARG A 20 4.255 9.412 5.223 1.00 75.54 H new ATOM 0 HH21 ARG A 20 6.962 9.037 2.996 1.00 2.14 H new ATOM 0 HH22 ARG A 20 5.564 10.017 3.451 1.00 2.14 H new ATOM 331 N ALA A 21 10.158 2.833 7.563 1.00 61.13 N ATOM 332 CA ALA A 21 11.603 2.888 7.483 1.00 13.44 C ATOM 333 C ALA A 21 12.158 1.563 6.941 1.00 34.11 C ATOM 334 O ALA A 21 13.336 1.464 6.580 1.00 11.43 O ATOM 335 CB ALA A 21 12.191 3.187 8.856 1.00 53.12 C ATOM 0 H ALA A 21 9.795 2.645 8.498 1.00 61.13 H new ATOM 0 HA ALA A 21 11.887 3.687 6.798 1.00 13.44 H new ATOM 0 HB1 ALA A 21 13.278 3.226 8.786 1.00 53.12 H new ATOM 0 HB2 ALA A 21 11.815 4.147 9.212 1.00 53.12 H new ATOM 0 HB3 ALA A 21 11.901 2.402 9.555 1.00 53.12 H new ATOM 341 N ASN A 22 11.301 0.552 6.871 1.00 42.14 N ATOM 342 CA ASN A 22 11.721 -0.770 6.430 1.00 31.33 C ATOM 343 C ASN A 22 11.401 -0.985 4.950 1.00 73.41 C ATOM 344 O ASN A 22 12.023 -1.799 4.301 1.00 1.31 O ATOM 345 CB ASN A 22 11.052 -1.861 7.284 1.00 45.30 C ATOM 346 CG ASN A 22 11.548 -3.281 6.986 1.00 15.32 C ATOM 347 OD1 ASN A 22 10.676 -4.251 7.155 1.00 35.30 O flip ATOM 348 ND2 ASN A 22 12.711 -3.497 6.608 1.00 15.51 N flip ATOM 0 H ASN A 22 10.313 0.623 7.114 1.00 42.14 H new ATOM 0 HA ASN A 22 12.801 -0.838 6.557 1.00 31.33 H new ATOM 0 HB2 ASN A 22 11.226 -1.640 8.337 1.00 45.30 H new ATOM 0 HB3 ASN A 22 9.974 -1.823 7.124 1.00 45.30 H new ATOM 0 HD21 ASN A 22 13.361 -2.720 6.488 1.00 15.51 H new ATOM 0 HD22 ASN A 22 13.017 -4.451 6.418 1.00 15.51 H new ATOM 355 N VAL A 23 10.434 -0.251 4.420 1.00 53.42 N ATOM 356 CA VAL A 23 10.056 -0.394 3.036 1.00 33.24 C ATOM 357 C VAL A 23 10.912 0.452 2.102 1.00 51.51 C ATOM 358 O VAL A 23 11.349 1.548 2.458 1.00 13.41 O ATOM 359 CB VAL A 23 8.565 -0.090 2.806 1.00 3.14 C ATOM 360 CG1 VAL A 23 7.696 -1.133 3.476 1.00 33.41 C ATOM 361 CG2 VAL A 23 8.203 1.304 3.300 1.00 42.11 C ATOM 0 H VAL A 23 9.900 0.449 4.935 1.00 53.42 H new ATOM 0 HA VAL A 23 10.234 -1.442 2.793 1.00 33.24 H new ATOM 0 HB VAL A 23 8.381 -0.124 1.732 1.00 3.14 H new ATOM 0 HG11 VAL A 23 6.646 -0.899 3.301 1.00 33.41 H new ATOM 0 HG12 VAL A 23 7.923 -2.116 3.062 1.00 33.41 H new ATOM 0 HG13 VAL A 23 7.893 -1.137 4.548 1.00 33.41 H new ATOM 0 HG21 VAL A 23 7.143 1.489 3.123 1.00 42.11 H new ATOM 0 HG22 VAL A 23 8.411 1.377 4.367 1.00 42.11 H new ATOM 0 HG23 VAL A 23 8.795 2.045 2.763 1.00 42.11 H new ATOM 371 N LYS A 24 11.167 -0.084 0.928 1.00 15.22 N ATOM 372 CA LYS A 24 11.944 0.598 -0.093 1.00 1.03 C ATOM 373 C LYS A 24 11.058 1.211 -1.150 1.00 55.40 C ATOM 374 O LYS A 24 11.373 2.245 -1.723 1.00 14.55 O ATOM 375 CB LYS A 24 12.889 -0.373 -0.813 1.00 22.14 C ATOM 376 CG LYS A 24 12.184 -1.547 -1.492 1.00 22.11 C ATOM 377 CD LYS A 24 13.005 -2.155 -2.603 1.00 20.21 C ATOM 378 CE LYS A 24 13.225 -1.127 -3.702 1.00 4.34 C ATOM 379 NZ LYS A 24 13.977 -1.671 -4.850 1.00 62.35 N ATOM 0 H LYS A 24 10.841 -1.010 0.650 1.00 15.22 H new ATOM 0 HA LYS A 24 12.507 1.373 0.427 1.00 1.03 H new ATOM 0 HB2 LYS A 24 13.456 0.179 -1.563 1.00 22.14 H new ATOM 0 HB3 LYS A 24 13.608 -0.763 -0.093 1.00 22.14 H new ATOM 0 HG2 LYS A 24 11.963 -2.312 -0.748 1.00 22.11 H new ATOM 0 HG3 LYS A 24 11.229 -1.209 -1.894 1.00 22.11 H new ATOM 0 HD2 LYS A 24 13.964 -2.496 -2.214 1.00 20.21 H new ATOM 0 HD3 LYS A 24 12.496 -3.030 -3.007 1.00 20.21 H new ATOM 0 HE2 LYS A 24 12.259 -0.759 -4.048 1.00 4.34 H new ATOM 0 HE3 LYS A 24 13.764 -0.273 -3.292 1.00 4.34 H new ATOM 0 HZ1 LYS A 24 14.098 -0.929 -5.569 1.00 62.35 H new ATOM 0 HZ2 LYS A 24 14.911 -1.999 -4.530 1.00 62.35 H new ATOM 0 HZ3 LYS A 24 13.453 -2.469 -5.262 1.00 62.35 H new ATOM 393 N HIS A 25 9.958 0.569 -1.400 1.00 31.41 N ATOM 394 CA HIS A 25 9.146 0.880 -2.542 1.00 65.41 C ATOM 395 C HIS A 25 7.717 0.427 -2.342 1.00 32.20 C ATOM 396 O HIS A 25 7.454 -0.769 -2.194 1.00 43.44 O ATOM 397 CB HIS A 25 9.803 0.184 -3.756 1.00 52.24 C ATOM 398 CG HIS A 25 9.031 0.120 -5.031 1.00 25.12 C ATOM 399 ND1 HIS A 25 8.714 1.199 -5.806 1.00 20.12 N ATOM 400 CD2 HIS A 25 8.546 -0.944 -5.658 1.00 32.31 C ATOM 401 CE1 HIS A 25 8.050 0.793 -6.869 1.00 51.34 C ATOM 402 NE2 HIS A 25 7.933 -0.515 -6.800 1.00 75.30 N ATOM 0 H HIS A 25 9.595 -0.187 -0.819 1.00 31.41 H new ATOM 0 HA HIS A 25 9.095 1.957 -2.701 1.00 65.41 H new ATOM 0 HB2 HIS A 25 10.745 0.692 -3.962 1.00 52.24 H new ATOM 0 HB3 HIS A 25 10.048 -0.837 -3.463 1.00 52.24 H new ATOM 0 HD2 HIS A 25 8.623 -1.968 -5.324 1.00 32.31 H new ATOM 0 HE1 HIS A 25 7.669 1.424 -7.658 1.00 51.34 H new ATOM 0 HE2 HIS A 25 7.464 -1.109 -7.484 1.00 75.30 H new ATOM 411 N LEU A 26 6.821 1.381 -2.315 1.00 22.11 N ATOM 412 CA LEU A 26 5.405 1.114 -2.191 1.00 5.13 C ATOM 413 C LEU A 26 4.780 1.174 -3.576 1.00 75.40 C ATOM 414 O LEU A 26 5.021 2.131 -4.325 1.00 52.21 O ATOM 415 CB LEU A 26 4.733 2.178 -1.316 1.00 22.01 C ATOM 416 CG LEU A 26 5.279 2.388 0.100 1.00 12.00 C ATOM 417 CD1 LEU A 26 4.526 3.513 0.792 1.00 45.23 C ATOM 418 CD2 LEU A 26 5.168 1.124 0.912 1.00 10.43 C ATOM 0 H LEU A 26 7.052 2.372 -2.379 1.00 22.11 H new ATOM 0 HA LEU A 26 5.267 0.133 -1.736 1.00 5.13 H new ATOM 0 HB2 LEU A 26 4.792 3.131 -1.842 1.00 22.01 H new ATOM 0 HB3 LEU A 26 3.676 1.925 -1.233 1.00 22.01 H new ATOM 0 HG LEU A 26 6.332 2.657 0.020 1.00 12.00 H new ATOM 0 HD11 LEU A 26 4.923 3.652 1.797 1.00 45.23 H new ATOM 0 HD12 LEU A 26 4.646 4.435 0.223 1.00 45.23 H new ATOM 0 HD13 LEU A 26 3.468 3.259 0.852 1.00 45.23 H new ATOM 0 HD21 LEU A 26 5.562 1.299 1.913 1.00 10.43 H new ATOM 0 HD22 LEU A 26 4.122 0.826 0.981 1.00 10.43 H new ATOM 0 HD23 LEU A 26 5.740 0.331 0.430 1.00 10.43 H new ATOM 430 N LYS A 27 4.017 0.178 -3.919 1.00 25.05 N ATOM 431 CA LYS A 27 3.321 0.135 -5.178 1.00 12.03 C ATOM 432 C LYS A 27 1.911 -0.315 -4.888 1.00 24.30 C ATOM 433 O LYS A 27 1.686 -1.469 -4.550 1.00 74.15 O ATOM 434 CB LYS A 27 4.020 -0.865 -6.141 1.00 44.30 C ATOM 435 CG LYS A 27 3.587 -0.786 -7.624 1.00 44.40 C ATOM 436 CD LYS A 27 2.172 -1.311 -7.881 1.00 3.41 C ATOM 437 CE LYS A 27 2.097 -2.817 -7.689 1.00 3.51 C ATOM 438 NZ LYS A 27 2.889 -3.535 -8.710 1.00 41.11 N ATOM 0 H LYS A 27 3.857 -0.638 -3.328 1.00 25.05 H new ATOM 0 HA LYS A 27 3.323 1.114 -5.658 1.00 12.03 H new ATOM 0 HB2 LYS A 27 5.096 -0.700 -6.087 1.00 44.30 H new ATOM 0 HB3 LYS A 27 3.834 -1.877 -5.781 1.00 44.30 H new ATOM 0 HG2 LYS A 27 3.646 0.251 -7.956 1.00 44.40 H new ATOM 0 HG3 LYS A 27 4.292 -1.355 -8.230 1.00 44.40 H new ATOM 0 HD2 LYS A 27 1.472 -0.821 -7.205 1.00 3.41 H new ATOM 0 HD3 LYS A 27 1.866 -1.056 -8.896 1.00 3.41 H new ATOM 0 HE2 LYS A 27 2.462 -3.076 -6.695 1.00 3.51 H new ATOM 0 HE3 LYS A 27 1.057 -3.140 -7.741 1.00 3.51 H new ATOM 0 HZ1 LYS A 27 2.609 -4.536 -8.726 1.00 41.11 H new ATOM 0 HZ2 LYS A 27 2.716 -3.112 -9.644 1.00 41.11 H new ATOM 0 HZ3 LYS A 27 3.900 -3.462 -8.479 1.00 41.11 H new ATOM 452 N ILE A 28 0.980 0.566 -4.984 1.00 12.11 N ATOM 453 CA ILE A 28 -0.377 0.207 -4.692 1.00 24.21 C ATOM 454 C ILE A 28 -1.091 -0.227 -5.975 1.00 63.44 C ATOM 455 O ILE A 28 -0.974 0.422 -7.019 1.00 42.33 O ATOM 456 CB ILE A 28 -1.156 1.338 -3.973 1.00 41.10 C ATOM 457 CG1 ILE A 28 -0.347 1.834 -2.772 1.00 61.23 C ATOM 458 CG2 ILE A 28 -2.497 0.801 -3.483 1.00 5.30 C ATOM 459 CD1 ILE A 28 -1.056 2.868 -1.916 1.00 2.34 C ATOM 0 H ILE A 28 1.123 1.537 -5.260 1.00 12.11 H new ATOM 0 HA ILE A 28 -0.350 -0.632 -3.996 1.00 24.21 H new ATOM 0 HB ILE A 28 -1.321 2.160 -4.670 1.00 41.10 H new ATOM 0 HG12 ILE A 28 -0.089 0.979 -2.147 1.00 61.23 H new ATOM 0 HG13 ILE A 28 0.589 2.260 -3.132 1.00 61.23 H new ATOM 0 HG21 ILE A 28 -3.045 1.596 -2.977 1.00 5.30 H new ATOM 0 HG22 ILE A 28 -3.078 0.444 -4.333 1.00 5.30 H new ATOM 0 HG23 ILE A 28 -2.328 -0.021 -2.788 1.00 5.30 H new ATOM 0 HD11 ILE A 28 -0.409 3.162 -1.089 1.00 2.34 H new ATOM 0 HD12 ILE A 28 -1.290 3.743 -2.522 1.00 2.34 H new ATOM 0 HD13 ILE A 28 -1.979 2.443 -1.521 1.00 2.34 H new ATOM 471 N LEU A 29 -1.781 -1.328 -5.888 1.00 72.45 N ATOM 472 CA LEU A 29 -2.473 -1.948 -6.982 1.00 31.43 C ATOM 473 C LEU A 29 -3.980 -1.905 -6.750 1.00 13.01 C ATOM 474 O LEU A 29 -4.512 -2.613 -5.883 1.00 71.44 O ATOM 475 CB LEU A 29 -1.993 -3.405 -7.099 1.00 23.34 C ATOM 476 CG LEU A 29 -2.649 -4.290 -8.159 1.00 64.23 C ATOM 477 CD1 LEU A 29 -2.497 -3.688 -9.546 1.00 51.25 C ATOM 478 CD2 LEU A 29 -2.027 -5.669 -8.117 1.00 25.15 C ATOM 0 H LEU A 29 -1.881 -1.841 -5.012 1.00 72.45 H new ATOM 0 HA LEU A 29 -2.259 -1.411 -7.906 1.00 31.43 H new ATOM 0 HB2 LEU A 29 -0.921 -3.389 -7.293 1.00 23.34 H new ATOM 0 HB3 LEU A 29 -2.135 -3.883 -6.130 1.00 23.34 H new ATOM 0 HG LEU A 29 -3.715 -4.362 -7.942 1.00 64.23 H new ATOM 0 HD11 LEU A 29 -2.973 -4.339 -10.279 1.00 51.25 H new ATOM 0 HD12 LEU A 29 -2.970 -2.707 -9.571 1.00 51.25 H new ATOM 0 HD13 LEU A 29 -1.438 -3.586 -9.784 1.00 51.25 H new ATOM 0 HD21 LEU A 29 -2.493 -6.302 -8.872 1.00 25.15 H new ATOM 0 HD22 LEU A 29 -0.958 -5.592 -8.317 1.00 25.15 H new ATOM 0 HD23 LEU A 29 -2.181 -6.108 -7.131 1.00 25.15 H new ATOM 490 N ASN A 30 -4.665 -1.074 -7.502 1.00 3.52 N ATOM 491 CA ASN A 30 -6.108 -0.966 -7.378 1.00 12.43 C ATOM 492 C ASN A 30 -6.792 -1.946 -8.304 1.00 11.20 C ATOM 493 O ASN A 30 -6.480 -2.026 -9.489 1.00 73.50 O ATOM 494 CB ASN A 30 -6.625 0.476 -7.587 1.00 44.23 C ATOM 495 CG ASN A 30 -6.333 1.054 -8.955 1.00 22.23 C ATOM 496 OD1 ASN A 30 -7.120 0.913 -9.888 1.00 41.42 O ATOM 497 ND2 ASN A 30 -5.223 1.720 -9.084 1.00 51.34 N ATOM 0 H ASN A 30 -4.251 -0.463 -8.206 1.00 3.52 H new ATOM 0 HA ASN A 30 -6.363 -1.225 -6.350 1.00 12.43 H new ATOM 0 HB2 ASN A 30 -7.702 0.490 -7.423 1.00 44.23 H new ATOM 0 HB3 ASN A 30 -6.179 1.122 -6.831 1.00 44.23 H new ATOM 0 HD21 ASN A 30 -4.984 2.144 -9.980 1.00 51.34 H new ATOM 0 HD22 ASN A 30 -4.592 1.818 -8.289 1.00 51.34 H new ATOM 504 N THR A 31 -7.660 -2.731 -7.746 1.00 54.44 N ATOM 505 CA THR A 31 -8.392 -3.726 -8.476 1.00 1.21 C ATOM 506 C THR A 31 -9.912 -3.479 -8.272 1.00 5.33 C ATOM 507 O THR A 31 -10.329 -3.195 -7.159 1.00 22.23 O ATOM 508 CB THR A 31 -7.986 -5.114 -7.932 1.00 31.01 C ATOM 509 OG1 THR A 31 -6.547 -5.198 -7.942 1.00 21.20 O ATOM 510 CG2 THR A 31 -8.543 -6.242 -8.782 1.00 10.43 C ATOM 0 H THR A 31 -7.886 -2.700 -6.752 1.00 54.44 H new ATOM 0 HA THR A 31 -8.171 -3.677 -9.542 1.00 1.21 H new ATOM 0 HB THR A 31 -8.390 -5.220 -6.925 1.00 31.01 H new ATOM 0 HG1 THR A 31 -6.267 -5.944 -8.513 1.00 21.20 H new ATOM 0 HG21 THR A 31 -8.233 -7.200 -8.364 1.00 10.43 H new ATOM 0 HG22 THR A 31 -9.631 -6.186 -8.793 1.00 10.43 H new ATOM 0 HG23 THR A 31 -8.165 -6.151 -9.800 1.00 10.43 H new ATOM 518 N PRO A 32 -10.727 -3.570 -9.362 1.00 32.24 N ATOM 519 CA PRO A 32 -12.193 -3.305 -9.375 1.00 51.24 C ATOM 520 C PRO A 32 -12.978 -3.570 -8.056 1.00 3.33 C ATOM 521 O PRO A 32 -13.697 -2.692 -7.578 1.00 5.12 O ATOM 522 CB PRO A 32 -12.664 -4.233 -10.478 1.00 3.14 C ATOM 523 CG PRO A 32 -11.563 -4.182 -11.490 1.00 63.34 C ATOM 524 CD PRO A 32 -10.273 -3.931 -10.727 1.00 22.24 C ATOM 0 HA PRO A 32 -12.381 -2.241 -9.517 1.00 51.24 H new ATOM 0 HB2 PRO A 32 -12.819 -5.246 -10.108 1.00 3.14 H new ATOM 0 HB3 PRO A 32 -13.611 -3.900 -10.902 1.00 3.14 H new ATOM 0 HG2 PRO A 32 -11.507 -5.117 -12.047 1.00 63.34 H new ATOM 0 HG3 PRO A 32 -11.743 -3.389 -12.216 1.00 63.34 H new ATOM 0 HD2 PRO A 32 -9.638 -4.817 -10.715 1.00 22.24 H new ATOM 0 HD3 PRO A 32 -9.692 -3.128 -11.180 1.00 22.24 H new ATOM 532 N ASN A 33 -12.831 -4.748 -7.483 1.00 4.02 N ATOM 533 CA ASN A 33 -13.583 -5.122 -6.274 1.00 31.04 C ATOM 534 C ASN A 33 -12.651 -5.377 -5.128 1.00 55.10 C ATOM 535 O ASN A 33 -13.024 -5.240 -3.966 1.00 43.22 O ATOM 536 CB ASN A 33 -14.448 -6.385 -6.490 1.00 13.15 C ATOM 537 CG ASN A 33 -15.534 -6.222 -7.524 1.00 14.21 C ATOM 538 OD1 ASN A 33 -16.639 -5.802 -7.205 1.00 0.54 O ATOM 539 ND2 ASN A 33 -15.253 -6.584 -8.753 1.00 13.31 N ATOM 0 H ASN A 33 -12.200 -5.472 -7.826 1.00 4.02 H new ATOM 0 HA ASN A 33 -14.240 -4.282 -6.049 1.00 31.04 H new ATOM 0 HB2 ASN A 33 -13.800 -7.209 -6.787 1.00 13.15 H new ATOM 0 HB3 ASN A 33 -14.905 -6.665 -5.541 1.00 13.15 H new ATOM 0 HD21 ASN A 33 -15.966 -6.520 -9.479 1.00 13.31 H new ATOM 0 HD22 ASN A 33 -14.321 -6.929 -8.982 1.00 13.31 H new ATOM 546 N CYS A 34 -11.436 -5.748 -5.448 1.00 30.21 N ATOM 547 CA CYS A 34 -10.444 -6.051 -4.438 1.00 64.31 C ATOM 548 C CYS A 34 -9.774 -4.805 -3.896 1.00 11.12 C ATOM 549 O CYS A 34 -8.892 -4.897 -3.040 1.00 15.01 O ATOM 550 CB CYS A 34 -9.432 -7.045 -4.961 1.00 41.44 C ATOM 551 SG CYS A 34 -10.162 -8.647 -5.393 1.00 11.54 S ATOM 0 H CYS A 34 -11.105 -5.849 -6.408 1.00 30.21 H new ATOM 0 HA CYS A 34 -10.966 -6.509 -3.598 1.00 64.31 H new ATOM 0 HB2 CYS A 34 -8.943 -6.627 -5.841 1.00 41.44 H new ATOM 0 HB3 CYS A 34 -8.659 -7.197 -4.208 1.00 41.44 H new ATOM 556 N ALA A 35 -10.195 -3.642 -4.429 1.00 25.51 N ATOM 557 CA ALA A 35 -9.779 -2.333 -3.945 1.00 34.13 C ATOM 558 C ALA A 35 -8.303 -2.081 -4.173 1.00 54.12 C ATOM 559 O ALA A 35 -7.643 -2.798 -4.954 1.00 32.44 O ATOM 560 CB ALA A 35 -10.121 -2.219 -2.484 1.00 61.13 C ATOM 0 H ALA A 35 -10.841 -3.596 -5.217 1.00 25.51 H new ATOM 0 HA ALA A 35 -10.315 -1.571 -4.511 1.00 34.13 H new ATOM 0 HB1 ALA A 35 -9.813 -1.241 -2.113 1.00 61.13 H new ATOM 0 HB2 ALA A 35 -11.197 -2.334 -2.352 1.00 61.13 H new ATOM 0 HB3 ALA A 35 -9.601 -2.999 -1.927 1.00 61.13 H new ATOM 566 N LEU A 36 -7.788 -1.046 -3.544 1.00 63.22 N ATOM 567 CA LEU A 36 -6.406 -0.763 -3.641 1.00 2.21 C ATOM 568 C LEU A 36 -5.580 -1.520 -2.625 1.00 71.12 C ATOM 569 O LEU A 36 -5.637 -1.293 -1.425 1.00 35.42 O ATOM 570 CB LEU A 36 -6.085 0.746 -3.806 1.00 33.31 C ATOM 571 CG LEU A 36 -6.632 1.758 -2.796 1.00 33.21 C ATOM 572 CD1 LEU A 36 -5.935 1.683 -1.455 1.00 0.42 C ATOM 573 CD2 LEU A 36 -6.540 3.141 -3.377 1.00 23.23 C ATOM 0 H LEU A 36 -8.321 -0.397 -2.964 1.00 63.22 H new ATOM 0 HA LEU A 36 -6.069 -1.172 -4.594 1.00 2.21 H new ATOM 0 HB2 LEU A 36 -5.000 0.848 -3.812 1.00 33.31 H new ATOM 0 HB3 LEU A 36 -6.439 1.047 -4.792 1.00 33.31 H new ATOM 0 HG LEU A 36 -7.676 1.509 -2.606 1.00 33.21 H new ATOM 0 HD11 LEU A 36 -6.364 2.423 -0.780 1.00 0.42 H new ATOM 0 HD12 LEU A 36 -6.066 0.687 -1.032 1.00 0.42 H new ATOM 0 HD13 LEU A 36 -4.872 1.885 -1.586 1.00 0.42 H new ATOM 0 HD21 LEU A 36 -6.929 3.864 -2.660 1.00 23.23 H new ATOM 0 HD22 LEU A 36 -5.498 3.374 -3.598 1.00 23.23 H new ATOM 0 HD23 LEU A 36 -7.126 3.190 -4.295 1.00 23.23 H new ATOM 585 N GLN A 37 -4.876 -2.466 -3.140 1.00 53.05 N ATOM 586 CA GLN A 37 -4.006 -3.330 -2.402 1.00 3.40 C ATOM 587 C GLN A 37 -2.617 -2.814 -2.522 1.00 73.44 C ATOM 588 O GLN A 37 -2.165 -2.524 -3.607 1.00 4.52 O ATOM 589 CB GLN A 37 -4.099 -4.719 -2.986 1.00 31.24 C ATOM 590 CG GLN A 37 -5.367 -5.464 -2.624 1.00 15.10 C ATOM 591 CD GLN A 37 -5.950 -6.228 -3.778 1.00 32.01 C ATOM 592 OE1 GLN A 37 -6.502 -7.306 -3.601 1.00 45.44 O ATOM 593 NE2 GLN A 37 -5.953 -5.626 -4.938 1.00 1.43 N ATOM 0 H GLN A 37 -4.888 -2.673 -4.139 1.00 53.05 H new ATOM 0 HA GLN A 37 -4.289 -3.363 -1.350 1.00 3.40 H new ATOM 0 HB2 GLN A 37 -4.030 -4.649 -4.072 1.00 31.24 H new ATOM 0 HB3 GLN A 37 -3.241 -5.300 -2.649 1.00 31.24 H new ATOM 0 HG2 GLN A 37 -5.155 -6.155 -1.808 1.00 15.10 H new ATOM 0 HG3 GLN A 37 -6.107 -4.753 -2.256 1.00 15.10 H new ATOM 0 HE21 GLN A 37 -5.482 -4.728 -5.048 1.00 1.43 H new ATOM 0 HE22 GLN A 37 -6.426 -6.054 -5.734 1.00 1.43 H new ATOM 602 N ILE A 38 -1.937 -2.722 -1.450 1.00 25.34 N ATOM 603 CA ILE A 38 -0.643 -2.128 -1.467 1.00 13.42 C ATOM 604 C ILE A 38 0.404 -3.210 -1.504 1.00 20.54 C ATOM 605 O ILE A 38 0.306 -4.186 -0.797 1.00 72.14 O ATOM 606 CB ILE A 38 -0.448 -1.305 -0.199 1.00 43.51 C ATOM 607 CG1 ILE A 38 -1.568 -0.282 -0.044 1.00 73.33 C ATOM 608 CG2 ILE A 38 0.932 -0.625 -0.179 1.00 44.33 C ATOM 609 CD1 ILE A 38 -1.542 0.434 1.267 1.00 41.43 C ATOM 0 H ILE A 38 -2.249 -3.050 -0.536 1.00 25.34 H new ATOM 0 HA ILE A 38 -0.551 -1.489 -2.346 1.00 13.42 H new ATOM 0 HB ILE A 38 -0.489 -1.985 0.652 1.00 43.51 H new ATOM 0 HG12 ILE A 38 -1.496 0.449 -0.850 1.00 73.33 H new ATOM 0 HG13 ILE A 38 -2.528 -0.786 -0.155 1.00 73.33 H new ATOM 0 HG21 ILE A 38 1.039 -0.046 0.738 1.00 44.33 H new ATOM 0 HG22 ILE A 38 1.713 -1.385 -0.222 1.00 44.33 H new ATOM 0 HG23 ILE A 38 1.023 0.038 -1.039 1.00 44.33 H new ATOM 0 HD11 ILE A 38 -2.366 1.146 1.309 1.00 41.43 H new ATOM 0 HD12 ILE A 38 -1.644 -0.287 2.078 1.00 41.43 H new ATOM 0 HD13 ILE A 38 -0.597 0.966 1.372 1.00 41.43 H new ATOM 621 N VAL A 39 1.364 -3.047 -2.354 1.00 24.24 N ATOM 622 CA VAL A 39 2.482 -3.958 -2.453 1.00 65.41 C ATOM 623 C VAL A 39 3.738 -3.196 -2.085 1.00 21.02 C ATOM 624 O VAL A 39 3.955 -2.097 -2.571 1.00 63.32 O ATOM 625 CB VAL A 39 2.615 -4.523 -3.902 1.00 14.12 C ATOM 626 CG1 VAL A 39 3.836 -5.409 -4.050 1.00 62.30 C ATOM 627 CG2 VAL A 39 1.354 -5.278 -4.313 1.00 13.43 C ATOM 0 H VAL A 39 1.404 -2.270 -3.013 1.00 24.24 H new ATOM 0 HA VAL A 39 2.328 -4.801 -1.779 1.00 65.41 H new ATOM 0 HB VAL A 39 2.741 -3.670 -4.569 1.00 14.12 H new ATOM 0 HG11 VAL A 39 3.893 -5.782 -5.072 1.00 62.30 H new ATOM 0 HG12 VAL A 39 4.733 -4.833 -3.824 1.00 62.30 H new ATOM 0 HG13 VAL A 39 3.761 -6.250 -3.360 1.00 62.30 H new ATOM 0 HG21 VAL A 39 1.473 -5.661 -5.326 1.00 13.43 H new ATOM 0 HG22 VAL A 39 1.188 -6.109 -3.628 1.00 13.43 H new ATOM 0 HG23 VAL A 39 0.499 -4.603 -4.279 1.00 13.43 H new ATOM 637 N ALA A 40 4.544 -3.747 -1.234 1.00 61.25 N ATOM 638 CA ALA A 40 5.743 -3.073 -0.816 1.00 72.50 C ATOM 639 C ALA A 40 6.874 -4.034 -0.620 1.00 13.33 C ATOM 640 O ALA A 40 6.673 -5.154 -0.157 1.00 62.51 O ATOM 641 CB ALA A 40 5.498 -2.354 0.481 1.00 53.41 C ATOM 0 H ALA A 40 4.398 -4.664 -0.811 1.00 61.25 H new ATOM 0 HA ALA A 40 6.013 -2.367 -1.601 1.00 72.50 H new ATOM 0 HB1 ALA A 40 6.410 -1.845 0.793 1.00 53.41 H new ATOM 0 HB2 ALA A 40 4.702 -1.622 0.346 1.00 53.41 H new ATOM 0 HB3 ALA A 40 5.204 -3.073 1.246 1.00 53.41 H new ATOM 647 N ARG A 41 8.048 -3.621 -1.005 1.00 25.14 N ATOM 648 CA ARG A 41 9.225 -4.362 -0.723 1.00 22.52 C ATOM 649 C ARG A 41 10.021 -3.742 0.361 1.00 21.20 C ATOM 650 O ARG A 41 10.056 -2.519 0.499 1.00 1.04 O ATOM 651 CB ARG A 41 10.041 -4.626 -1.947 1.00 62.55 C ATOM 652 CG ARG A 41 9.793 -6.005 -2.468 1.00 61.13 C ATOM 653 CD ARG A 41 10.488 -6.300 -3.746 1.00 42.04 C ATOM 654 NE ARG A 41 10.094 -5.417 -4.854 1.00 53.43 N ATOM 655 CZ ARG A 41 10.462 -5.608 -6.135 1.00 24.44 C ATOM 656 NH1 ARG A 41 11.288 -6.603 -6.449 1.00 43.12 N ATOM 657 NH2 ARG A 41 10.015 -4.801 -7.089 1.00 71.43 N ATOM 0 H ARG A 41 8.207 -2.757 -1.524 1.00 25.14 H new ATOM 0 HA ARG A 41 8.901 -5.337 -0.359 1.00 22.52 H new ATOM 0 HB2 ARG A 41 9.797 -3.893 -2.716 1.00 62.55 H new ATOM 0 HB3 ARG A 41 11.099 -4.505 -1.716 1.00 62.55 H new ATOM 0 HG2 ARG A 41 10.111 -6.729 -1.718 1.00 61.13 H new ATOM 0 HG3 ARG A 41 8.721 -6.142 -2.609 1.00 61.13 H new ATOM 0 HD2 ARG A 41 11.564 -6.216 -3.592 1.00 42.04 H new ATOM 0 HD3 ARG A 41 10.287 -7.333 -4.028 1.00 42.04 H new ATOM 0 HE ARG A 41 9.507 -4.611 -4.639 1.00 53.43 H new ATOM 0 HH11 ARG A 41 11.642 -7.221 -5.719 1.00 43.12 H new ATOM 0 HH12 ARG A 41 11.567 -6.748 -7.420 1.00 43.12 H new ATOM 0 HH21 ARG A 41 9.389 -4.031 -6.854 1.00 71.43 H new ATOM 0 HH22 ARG A 41 10.297 -4.951 -8.058 1.00 71.43 H new ATOM 671 N LEU A 42 10.626 -4.579 1.142 1.00 62.42 N ATOM 672 CA LEU A 42 11.407 -4.165 2.273 1.00 73.23 C ATOM 673 C LEU A 42 12.843 -3.916 1.844 1.00 31.24 C ATOM 674 O LEU A 42 13.302 -4.476 0.863 1.00 34.10 O ATOM 675 CB LEU A 42 11.367 -5.269 3.316 1.00 31.23 C ATOM 676 CG LEU A 42 9.962 -5.776 3.677 1.00 14.21 C ATOM 677 CD1 LEU A 42 10.043 -6.927 4.640 1.00 52.43 C ATOM 678 CD2 LEU A 42 9.096 -4.660 4.246 1.00 72.51 C ATOM 0 H LEU A 42 10.593 -5.590 1.012 1.00 62.42 H new ATOM 0 HA LEU A 42 11.001 -3.243 2.689 1.00 73.23 H new ATOM 0 HB2 LEU A 42 11.958 -6.110 2.954 1.00 31.23 H new ATOM 0 HB3 LEU A 42 11.850 -4.907 4.224 1.00 31.23 H new ATOM 0 HG LEU A 42 9.491 -6.126 2.758 1.00 14.21 H new ATOM 0 HD11 LEU A 42 9.037 -7.270 4.882 1.00 52.43 H new ATOM 0 HD12 LEU A 42 10.605 -7.743 4.186 1.00 52.43 H new ATOM 0 HD13 LEU A 42 10.545 -6.604 5.552 1.00 52.43 H new ATOM 0 HD21 LEU A 42 8.109 -5.054 4.490 1.00 72.51 H new ATOM 0 HD22 LEU A 42 9.561 -4.262 5.148 1.00 72.51 H new ATOM 0 HD23 LEU A 42 8.996 -3.864 3.508 1.00 72.51 H new ATOM 690 N LYS A 43 13.531 -3.095 2.576 1.00 43.52 N ATOM 691 CA LYS A 43 14.908 -2.764 2.280 1.00 53.13 C ATOM 692 C LYS A 43 15.840 -3.816 2.848 1.00 72.40 C ATOM 693 O LYS A 43 16.679 -4.389 2.140 1.00 21.33 O ATOM 694 CB LYS A 43 15.268 -1.411 2.891 1.00 54.22 C ATOM 695 CG LYS A 43 14.408 -0.263 2.413 1.00 0.14 C ATOM 696 CD LYS A 43 14.800 1.048 3.056 1.00 44.23 C ATOM 697 CE LYS A 43 16.213 1.434 2.683 1.00 42.14 C ATOM 698 NZ LYS A 43 16.603 2.727 3.249 1.00 44.40 N ATOM 0 H LYS A 43 13.159 -2.628 3.403 1.00 43.52 H new ATOM 0 HA LYS A 43 15.020 -2.723 1.197 1.00 53.13 H new ATOM 0 HB2 LYS A 43 15.188 -1.483 3.976 1.00 54.22 H new ATOM 0 HB3 LYS A 43 16.310 -1.188 2.663 1.00 54.22 H new ATOM 0 HG2 LYS A 43 14.492 -0.174 1.330 1.00 0.14 H new ATOM 0 HG3 LYS A 43 13.363 -0.477 2.635 1.00 0.14 H new ATOM 0 HD2 LYS A 43 14.110 1.832 2.742 1.00 44.23 H new ATOM 0 HD3 LYS A 43 14.716 0.965 4.140 1.00 44.23 H new ATOM 0 HE2 LYS A 43 16.902 0.664 3.032 1.00 42.14 H new ATOM 0 HE3 LYS A 43 16.302 1.473 1.597 1.00 42.14 H new ATOM 0 HZ1 LYS A 43 17.579 2.949 2.967 1.00 44.40 H new ATOM 0 HZ2 LYS A 43 15.963 3.467 2.897 1.00 44.40 H new ATOM 0 HZ3 LYS A 43 16.544 2.684 4.286 1.00 44.40 H new ATOM 712 N ASN A 44 15.677 -4.089 4.120 1.00 24.33 N ATOM 713 CA ASN A 44 16.581 -4.980 4.813 1.00 75.32 C ATOM 714 C ASN A 44 16.266 -6.433 4.504 1.00 74.33 C ATOM 715 O ASN A 44 17.166 -7.247 4.351 1.00 30.14 O ATOM 716 CB ASN A 44 16.515 -4.725 6.323 1.00 70.13 C ATOM 717 CG ASN A 44 17.488 -5.571 7.145 1.00 74.31 C ATOM 718 OD1 ASN A 44 18.653 -5.856 6.609 1.00 33.20 O flip ATOM 719 ND2 ASN A 44 17.195 -5.935 8.276 1.00 0.01 N flip ATOM 0 H ASN A 44 14.928 -3.708 4.698 1.00 24.33 H new ATOM 0 HA ASN A 44 17.593 -4.778 4.463 1.00 75.32 H new ATOM 0 HB2 ASN A 44 16.719 -3.671 6.511 1.00 70.13 H new ATOM 0 HB3 ASN A 44 15.500 -4.920 6.669 1.00 70.13 H new ATOM 0 HD21 ASN A 44 16.283 -5.699 8.667 1.00 0.01 H new ATOM 0 HD22 ASN A 44 17.863 -6.474 8.827 1.00 0.01 H new ATOM 726 N ASN A 45 14.998 -6.754 4.397 1.00 13.43 N ATOM 727 CA ASN A 45 14.605 -8.135 4.132 1.00 4.40 C ATOM 728 C ASN A 45 14.404 -8.382 2.620 1.00 42.21 C ATOM 729 O ASN A 45 14.546 -9.495 2.150 1.00 12.40 O ATOM 730 CB ASN A 45 13.344 -8.501 4.955 1.00 21.33 C ATOM 731 CG ASN A 45 12.982 -9.966 4.952 1.00 22.32 C ATOM 732 OD1 ASN A 45 13.837 -10.837 4.771 1.00 62.35 O ATOM 733 ND2 ASN A 45 11.737 -10.255 5.231 1.00 32.33 N ATOM 0 H ASN A 45 14.224 -6.095 4.486 1.00 13.43 H new ATOM 0 HA ASN A 45 15.413 -8.794 4.451 1.00 4.40 H new ATOM 0 HB2 ASN A 45 13.497 -8.182 5.986 1.00 21.33 H new ATOM 0 HB3 ASN A 45 12.498 -7.933 4.568 1.00 21.33 H new ATOM 0 HD21 ASN A 45 11.444 -11.229 5.306 1.00 32.33 H new ATOM 0 HD22 ASN A 45 11.059 -9.506 5.374 1.00 32.33 H new ATOM 740 N ASN A 46 14.067 -7.310 1.870 1.00 63.23 N ATOM 741 CA ASN A 46 13.818 -7.359 0.375 1.00 25.32 C ATOM 742 C ASN A 46 12.516 -8.105 0.022 1.00 70.34 C ATOM 743 O ASN A 46 12.112 -8.192 -1.135 1.00 72.45 O ATOM 744 CB ASN A 46 15.055 -7.908 -0.398 1.00 53.42 C ATOM 745 CG ASN A 46 14.899 -7.921 -1.923 1.00 43.25 C ATOM 746 OD1 ASN A 46 14.476 -8.918 -2.519 1.00 11.24 O ATOM 747 ND2 ASN A 46 15.246 -6.834 -2.563 1.00 13.23 N ATOM 0 H ASN A 46 13.955 -6.376 2.265 1.00 63.23 H new ATOM 0 HA ASN A 46 13.673 -6.331 0.041 1.00 25.32 H new ATOM 0 HB2 ASN A 46 15.925 -7.305 -0.140 1.00 53.42 H new ATOM 0 HB3 ASN A 46 15.258 -8.923 -0.058 1.00 53.42 H new ATOM 0 HD21 ASN A 46 15.171 -6.795 -3.579 1.00 13.23 H new ATOM 0 HD22 ASN A 46 15.592 -6.026 -2.046 1.00 13.23 H new ATOM 754 N ARG A 47 11.845 -8.587 1.033 1.00 54.31 N ATOM 755 CA ARG A 47 10.587 -9.297 0.870 1.00 14.14 C ATOM 756 C ARG A 47 9.500 -8.393 0.399 1.00 2.15 C ATOM 757 O ARG A 47 9.427 -7.223 0.790 1.00 65.34 O ATOM 758 CB ARG A 47 10.188 -10.019 2.156 1.00 13.22 C ATOM 759 CG ARG A 47 10.797 -11.407 2.363 1.00 31.35 C ATOM 760 CD ARG A 47 12.265 -11.477 2.055 1.00 33.32 C ATOM 761 NE ARG A 47 12.785 -12.834 2.208 1.00 21.00 N ATOM 762 CZ ARG A 47 14.079 -13.165 2.157 1.00 73.14 C ATOM 763 NH1 ARG A 47 15.016 -12.226 2.002 1.00 13.12 N ATOM 764 NH2 ARG A 47 14.437 -14.438 2.289 1.00 74.30 N ATOM 0 H ARG A 47 12.150 -8.502 2.003 1.00 54.31 H new ATOM 0 HA ARG A 47 10.739 -10.051 0.098 1.00 14.14 H new ATOM 0 HB2 ARG A 47 10.467 -9.392 3.003 1.00 13.22 H new ATOM 0 HB3 ARG A 47 9.102 -10.114 2.174 1.00 13.22 H new ATOM 0 HG2 ARG A 47 10.637 -11.713 3.397 1.00 31.35 H new ATOM 0 HG3 ARG A 47 10.269 -12.123 1.733 1.00 31.35 H new ATOM 0 HD2 ARG A 47 12.440 -11.133 1.036 1.00 33.32 H new ATOM 0 HD3 ARG A 47 12.808 -10.802 2.717 1.00 33.32 H new ATOM 0 HE ARG A 47 12.111 -13.583 2.365 1.00 21.00 H new ATOM 0 HH11 ARG A 47 14.747 -11.245 1.921 1.00 13.12 H new ATOM 0 HH12 ARG A 47 16.001 -12.489 1.964 1.00 13.12 H new ATOM 0 HH21 ARG A 47 13.726 -15.156 2.428 1.00 74.30 H new ATOM 0 HH22 ARG A 47 15.423 -14.697 2.251 1.00 74.30 H new ATOM 778 N GLN A 48 8.684 -8.925 -0.459 1.00 61.31 N ATOM 779 CA GLN A 48 7.607 -8.216 -1.011 1.00 52.55 C ATOM 780 C GLN A 48 6.365 -8.629 -0.263 1.00 25.34 C ATOM 781 O GLN A 48 5.980 -9.806 -0.278 1.00 31.20 O ATOM 782 CB GLN A 48 7.482 -8.593 -2.480 1.00 30.25 C ATOM 783 CG GLN A 48 6.565 -7.711 -3.260 1.00 41.21 C ATOM 784 CD GLN A 48 6.364 -8.186 -4.671 1.00 41.12 C ATOM 785 OE1 GLN A 48 7.107 -7.819 -5.582 1.00 61.21 O ATOM 786 NE2 GLN A 48 5.353 -8.983 -4.872 1.00 3.21 N ATOM 0 H GLN A 48 8.764 -9.886 -0.792 1.00 61.31 H new ATOM 0 HA GLN A 48 7.752 -7.139 -0.932 1.00 52.55 H new ATOM 0 HB2 GLN A 48 8.471 -8.565 -2.937 1.00 30.25 H new ATOM 0 HB3 GLN A 48 7.127 -9.621 -2.551 1.00 30.25 H new ATOM 0 HG2 GLN A 48 5.599 -7.662 -2.757 1.00 41.21 H new ATOM 0 HG3 GLN A 48 6.968 -6.698 -3.276 1.00 41.21 H new ATOM 0 HE21 GLN A 48 4.761 -9.264 -4.090 1.00 3.21 H new ATOM 0 HE22 GLN A 48 5.153 -9.326 -5.811 1.00 3.21 H new ATOM 795 N VAL A 49 5.744 -7.693 0.368 1.00 10.03 N ATOM 796 CA VAL A 49 4.575 -7.952 1.162 1.00 43.23 C ATOM 797 C VAL A 49 3.455 -7.051 0.711 1.00 0.45 C ATOM 798 O VAL A 49 3.671 -6.132 -0.088 1.00 3.55 O ATOM 799 CB VAL A 49 4.845 -7.726 2.689 1.00 74.24 C ATOM 800 CG1 VAL A 49 5.931 -8.665 3.192 1.00 30.31 C ATOM 801 CG2 VAL A 49 5.224 -6.272 2.979 1.00 24.52 C ATOM 0 H VAL A 49 6.030 -6.714 0.352 1.00 10.03 H new ATOM 0 HA VAL A 49 4.300 -8.998 1.023 1.00 43.23 H new ATOM 0 HB VAL A 49 3.920 -7.947 3.221 1.00 74.24 H new ATOM 0 HG11 VAL A 49 6.101 -8.489 4.254 1.00 30.31 H new ATOM 0 HG12 VAL A 49 5.618 -9.698 3.041 1.00 30.31 H new ATOM 0 HG13 VAL A 49 6.854 -8.482 2.642 1.00 30.31 H new ATOM 0 HG21 VAL A 49 5.405 -6.149 4.047 1.00 24.52 H new ATOM 0 HG22 VAL A 49 6.127 -6.014 2.426 1.00 24.52 H new ATOM 0 HG23 VAL A 49 4.410 -5.615 2.671 1.00 24.52 H new ATOM 811 N CYS A 50 2.278 -7.306 1.193 1.00 3.21 N ATOM 812 CA CYS A 50 1.163 -6.473 0.874 1.00 54.04 C ATOM 813 C CYS A 50 0.853 -5.627 2.076 1.00 33.43 C ATOM 814 O CYS A 50 0.979 -6.088 3.210 1.00 61.24 O ATOM 815 CB CYS A 50 -0.047 -7.307 0.475 1.00 52.41 C ATOM 816 SG CYS A 50 0.326 -8.525 -0.861 1.00 4.33 S ATOM 0 H CYS A 50 2.065 -8.089 1.812 1.00 3.21 H new ATOM 0 HA CYS A 50 1.409 -5.838 0.023 1.00 54.04 H new ATOM 0 HB2 CYS A 50 -0.419 -7.839 1.350 1.00 52.41 H new ATOM 0 HB3 CYS A 50 -0.845 -6.643 0.142 1.00 52.41 H new ATOM 821 N ILE A 51 0.487 -4.409 1.852 1.00 71.01 N ATOM 822 CA ILE A 51 0.208 -3.504 2.920 1.00 70.23 C ATOM 823 C ILE A 51 -1.251 -3.179 2.977 1.00 34.43 C ATOM 824 O ILE A 51 -1.928 -3.056 1.943 1.00 20.24 O ATOM 825 CB ILE A 51 1.049 -2.206 2.840 1.00 72.55 C ATOM 826 CG1 ILE A 51 2.519 -2.560 2.833 1.00 22.31 C ATOM 827 CG2 ILE A 51 0.734 -1.256 3.992 1.00 31.11 C ATOM 828 CD1 ILE A 51 3.436 -1.360 2.948 1.00 20.43 C ATOM 0 H ILE A 51 0.372 -4.010 0.920 1.00 71.01 H new ATOM 0 HA ILE A 51 0.494 -4.013 3.840 1.00 70.23 H new ATOM 0 HB ILE A 51 0.792 -1.688 1.916 1.00 72.55 H new ATOM 0 HG12 ILE A 51 2.723 -3.242 3.658 1.00 22.31 H new ATOM 0 HG13 ILE A 51 2.750 -3.096 1.912 1.00 22.31 H new ATOM 0 HG21 ILE A 51 1.344 -0.358 3.900 1.00 31.11 H new ATOM 0 HG22 ILE A 51 -0.321 -0.983 3.960 1.00 31.11 H new ATOM 0 HG23 ILE A 51 0.953 -1.748 4.940 1.00 31.11 H new ATOM 0 HD11 ILE A 51 4.474 -1.693 2.936 1.00 20.43 H new ATOM 0 HD12 ILE A 51 3.261 -0.687 2.109 1.00 20.43 H new ATOM 0 HD13 ILE A 51 3.234 -0.836 3.882 1.00 20.43 H new ATOM 840 N ASP A 52 -1.727 -3.093 4.175 1.00 40.23 N ATOM 841 CA ASP A 52 -3.082 -2.766 4.468 1.00 72.01 C ATOM 842 C ASP A 52 -3.354 -1.297 4.170 1.00 62.35 C ATOM 843 O ASP A 52 -2.658 -0.411 4.674 1.00 4.21 O ATOM 844 CB ASP A 52 -3.320 -3.074 5.908 1.00 3.13 C ATOM 845 CG ASP A 52 -4.700 -2.749 6.357 1.00 31.44 C ATOM 846 OD1 ASP A 52 -5.589 -3.629 6.260 1.00 1.25 O ATOM 847 OD2 ASP A 52 -4.920 -1.620 6.817 1.00 53.33 O ATOM 0 H ASP A 52 -1.161 -3.255 5.008 1.00 40.23 H new ATOM 0 HA ASP A 52 -3.760 -3.350 3.845 1.00 72.01 H new ATOM 0 HB2 ASP A 52 -3.128 -4.133 6.083 1.00 3.13 H new ATOM 0 HB3 ASP A 52 -2.607 -2.516 6.515 1.00 3.13 H new ATOM 852 N PRO A 53 -4.379 -1.019 3.360 1.00 22.24 N ATOM 853 CA PRO A 53 -4.681 0.336 2.903 1.00 73.02 C ATOM 854 C PRO A 53 -5.343 1.240 3.944 1.00 14.53 C ATOM 855 O PRO A 53 -5.705 2.374 3.628 1.00 4.51 O ATOM 856 CB PRO A 53 -5.610 0.106 1.721 1.00 1.34 C ATOM 857 CG PRO A 53 -6.314 -1.163 2.045 1.00 12.13 C ATOM 858 CD PRO A 53 -5.325 -2.010 2.800 1.00 43.34 C ATOM 0 HA PRO A 53 -3.762 0.871 2.666 1.00 73.02 H new ATOM 0 HB2 PRO A 53 -6.313 0.931 1.602 1.00 1.34 H new ATOM 0 HB3 PRO A 53 -5.053 0.024 0.788 1.00 1.34 H new ATOM 0 HG2 PRO A 53 -7.203 -0.973 2.647 1.00 12.13 H new ATOM 0 HG3 PRO A 53 -6.645 -1.667 1.137 1.00 12.13 H new ATOM 0 HD2 PRO A 53 -5.810 -2.590 3.585 1.00 43.34 H new ATOM 0 HD3 PRO A 53 -4.821 -2.720 2.144 1.00 43.34 H new ATOM 866 N LYS A 54 -5.510 0.766 5.165 1.00 73.00 N ATOM 867 CA LYS A 54 -6.067 1.616 6.189 1.00 15.20 C ATOM 868 C LYS A 54 -5.116 1.814 7.366 1.00 21.21 C ATOM 869 O LYS A 54 -5.512 2.328 8.418 1.00 33.14 O ATOM 870 CB LYS A 54 -7.525 1.258 6.631 1.00 33.34 C ATOM 871 CG LYS A 54 -7.779 -0.089 7.177 1.00 4.23 C ATOM 872 CD LYS A 54 -7.774 -1.119 6.101 1.00 52.21 C ATOM 873 CE LYS A 54 -8.397 -2.350 6.612 1.00 64.41 C ATOM 874 NZ LYS A 54 -8.245 -3.488 5.676 1.00 42.15 N ATOM 0 H LYS A 54 -5.273 -0.180 5.463 1.00 73.00 H new ATOM 0 HA LYS A 54 -6.176 2.586 5.704 1.00 15.20 H new ATOM 0 HB2 LYS A 54 -7.833 1.985 7.383 1.00 33.34 H new ATOM 0 HB3 LYS A 54 -8.177 1.396 5.769 1.00 33.34 H new ATOM 0 HG2 LYS A 54 -7.019 -0.332 7.919 1.00 4.23 H new ATOM 0 HG3 LYS A 54 -8.741 -0.100 7.690 1.00 4.23 H new ATOM 0 HD2 LYS A 54 -8.319 -0.755 5.230 1.00 52.21 H new ATOM 0 HD3 LYS A 54 -6.753 -1.320 5.778 1.00 52.21 H new ATOM 0 HE2 LYS A 54 -7.950 -2.610 7.572 1.00 64.41 H new ATOM 0 HE3 LYS A 54 -9.457 -2.170 6.793 1.00 64.41 H new ATOM 0 HZ1 LYS A 54 -8.799 -4.298 6.021 1.00 42.15 H new ATOM 0 HZ2 LYS A 54 -8.588 -3.211 4.734 1.00 42.15 H new ATOM 0 HZ3 LYS A 54 -7.242 -3.755 5.615 1.00 42.15 H new ATOM 888 N LEU A 55 -3.847 1.413 7.183 1.00 2.12 N ATOM 889 CA LEU A 55 -2.795 1.734 8.146 1.00 30.10 C ATOM 890 C LEU A 55 -2.701 3.237 8.301 1.00 30.33 C ATOM 891 O LEU A 55 -2.815 3.967 7.318 1.00 14.51 O ATOM 892 CB LEU A 55 -1.435 1.197 7.694 1.00 42.32 C ATOM 893 CG LEU A 55 -1.182 -0.297 7.809 1.00 2.53 C ATOM 894 CD1 LEU A 55 0.198 -0.619 7.290 1.00 2.33 C ATOM 895 CD2 LEU A 55 -1.277 -0.738 9.244 1.00 51.14 C ATOM 0 H LEU A 55 -3.532 0.869 6.380 1.00 2.12 H new ATOM 0 HA LEU A 55 -3.052 1.263 9.095 1.00 30.10 H new ATOM 0 HB2 LEU A 55 -1.295 1.480 6.651 1.00 42.32 H new ATOM 0 HB3 LEU A 55 -0.665 1.711 8.270 1.00 42.32 H new ATOM 0 HG LEU A 55 -1.935 -0.821 7.221 1.00 2.53 H new ATOM 0 HD11 LEU A 55 0.377 -1.691 7.374 1.00 2.33 H new ATOM 0 HD12 LEU A 55 0.273 -0.319 6.245 1.00 2.33 H new ATOM 0 HD13 LEU A 55 0.942 -0.080 7.876 1.00 2.33 H new ATOM 0 HD21 LEU A 55 -1.093 -1.810 9.308 1.00 51.14 H new ATOM 0 HD22 LEU A 55 -0.534 -0.206 9.838 1.00 51.14 H new ATOM 0 HD23 LEU A 55 -2.273 -0.517 9.627 1.00 51.14 H new ATOM 907 N LYS A 56 -2.470 3.693 9.513 1.00 22.42 N ATOM 908 CA LYS A 56 -2.459 5.121 9.807 1.00 42.15 C ATOM 909 C LYS A 56 -1.345 5.858 9.067 1.00 32.11 C ATOM 910 O LYS A 56 -1.591 6.905 8.474 1.00 13.11 O ATOM 911 CB LYS A 56 -2.409 5.408 11.315 1.00 73.41 C ATOM 912 CG LYS A 56 -2.462 6.897 11.644 1.00 1.34 C ATOM 913 CD LYS A 56 -2.381 7.165 13.133 1.00 11.44 C ATOM 914 CE LYS A 56 -2.465 8.657 13.413 1.00 54.50 C ATOM 915 NZ LYS A 56 -2.346 8.968 14.850 1.00 22.32 N ATOM 0 H LYS A 56 -2.286 3.096 10.319 1.00 22.42 H new ATOM 0 HA LYS A 56 -3.407 5.510 9.436 1.00 42.15 H new ATOM 0 HB2 LYS A 56 -3.244 4.905 11.802 1.00 73.41 H new ATOM 0 HB3 LYS A 56 -1.495 4.983 11.729 1.00 73.41 H new ATOM 0 HG2 LYS A 56 -1.640 7.406 11.141 1.00 1.34 H new ATOM 0 HG3 LYS A 56 -3.387 7.320 11.252 1.00 1.34 H new ATOM 0 HD2 LYS A 56 -3.191 6.647 13.646 1.00 11.44 H new ATOM 0 HD3 LYS A 56 -1.447 6.767 13.529 1.00 11.44 H new ATOM 0 HE2 LYS A 56 -1.675 9.171 12.866 1.00 54.50 H new ATOM 0 HE3 LYS A 56 -3.414 9.041 13.038 1.00 54.50 H new ATOM 0 HZ1 LYS A 56 -2.409 9.997 14.989 1.00 22.32 H new ATOM 0 HZ2 LYS A 56 -3.115 8.500 15.371 1.00 22.32 H new ATOM 0 HZ3 LYS A 56 -1.430 8.627 15.204 1.00 22.32 H new ATOM 929 N TRP A 57 -0.128 5.311 9.069 1.00 33.54 N ATOM 930 CA TRP A 57 0.956 5.974 8.351 1.00 21.14 C ATOM 931 C TRP A 57 0.712 5.902 6.837 1.00 21.04 C ATOM 932 O TRP A 57 1.197 6.734 6.071 1.00 34.21 O ATOM 933 CB TRP A 57 2.354 5.445 8.737 1.00 35.21 C ATOM 934 CG TRP A 57 2.673 4.048 8.311 1.00 40.53 C ATOM 935 CD1 TRP A 57 2.519 2.901 9.027 1.00 64.15 C ATOM 936 CD2 TRP A 57 3.234 3.667 7.060 1.00 23.41 C ATOM 937 NE1 TRP A 57 2.959 1.835 8.297 1.00 10.42 N ATOM 938 CE2 TRP A 57 3.397 2.280 7.078 1.00 33.20 C ATOM 939 CE3 TRP A 57 3.610 4.379 5.922 1.00 31.10 C ATOM 940 CZ2 TRP A 57 3.925 1.587 5.999 1.00 51.15 C ATOM 941 CZ3 TRP A 57 4.129 3.698 4.857 1.00 74.00 C ATOM 942 CH2 TRP A 57 4.284 2.320 4.895 1.00 45.22 C ATOM 0 H TRP A 57 0.125 4.443 9.542 1.00 33.54 H new ATOM 0 HA TRP A 57 0.951 7.021 8.654 1.00 21.14 H new ATOM 0 HB2 TRP A 57 3.103 6.112 8.310 1.00 35.21 H new ATOM 0 HB3 TRP A 57 2.455 5.504 9.821 1.00 35.21 H new ATOM 0 HD1 TRP A 57 2.109 2.843 10.025 1.00 64.15 H new ATOM 0 HE1 TRP A 57 2.961 0.864 8.609 1.00 10.42 H new ATOM 0 HE3 TRP A 57 3.493 5.452 5.883 1.00 31.10 H new ATOM 0 HZ2 TRP A 57 4.049 0.514 6.026 1.00 51.15 H new ATOM 0 HZ3 TRP A 57 4.423 4.241 3.971 1.00 74.00 H new ATOM 0 HH2 TRP A 57 4.697 1.812 4.036 1.00 45.22 H new ATOM 953 N ILE A 58 -0.061 4.904 6.424 1.00 71.35 N ATOM 954 CA ILE A 58 -0.472 4.775 5.043 1.00 41.34 C ATOM 955 C ILE A 58 -1.500 5.859 4.716 1.00 25.31 C ATOM 956 O ILE A 58 -1.546 6.373 3.604 1.00 31.35 O ATOM 957 CB ILE A 58 -1.031 3.344 4.720 1.00 3.40 C ATOM 958 CG1 ILE A 58 0.088 2.295 4.713 1.00 25.23 C ATOM 959 CG2 ILE A 58 -1.766 3.315 3.410 1.00 50.43 C ATOM 960 CD1 ILE A 58 1.138 2.534 3.644 1.00 11.13 C ATOM 0 H ILE A 58 -0.415 4.170 7.037 1.00 71.35 H new ATOM 0 HA ILE A 58 0.406 4.909 4.412 1.00 41.34 H new ATOM 0 HB ILE A 58 -1.737 3.098 5.513 1.00 3.40 H new ATOM 0 HG12 ILE A 58 0.572 2.285 5.690 1.00 25.23 H new ATOM 0 HG13 ILE A 58 -0.351 1.308 4.565 1.00 25.23 H new ATOM 0 HG21 ILE A 58 -2.137 2.307 3.223 1.00 50.43 H new ATOM 0 HG22 ILE A 58 -2.605 4.009 3.448 1.00 50.43 H new ATOM 0 HG23 ILE A 58 -1.090 3.607 2.607 1.00 50.43 H new ATOM 0 HD11 ILE A 58 1.897 1.754 3.699 1.00 11.13 H new ATOM 0 HD12 ILE A 58 0.668 2.514 2.661 1.00 11.13 H new ATOM 0 HD13 ILE A 58 1.605 3.506 3.803 1.00 11.13 H new ATOM 972 N GLN A 59 -2.298 6.231 5.701 1.00 4.12 N ATOM 973 CA GLN A 59 -3.259 7.295 5.510 1.00 74.41 C ATOM 974 C GLN A 59 -2.527 8.606 5.356 1.00 15.23 C ATOM 975 O GLN A 59 -2.899 9.423 4.548 1.00 30.12 O ATOM 976 CB GLN A 59 -4.272 7.365 6.650 1.00 52.21 C ATOM 977 CG GLN A 59 -5.041 6.076 6.868 1.00 24.12 C ATOM 978 CD GLN A 59 -5.711 5.570 5.610 1.00 10.21 C ATOM 979 OE1 GLN A 59 -6.846 5.915 5.316 1.00 50.10 O ATOM 980 NE2 GLN A 59 -5.015 4.747 4.872 1.00 45.33 N ATOM 0 H GLN A 59 -2.298 5.815 6.632 1.00 4.12 H new ATOM 0 HA GLN A 59 -3.826 7.086 4.603 1.00 74.41 H new ATOM 0 HB2 GLN A 59 -3.751 7.626 7.571 1.00 52.21 H new ATOM 0 HB3 GLN A 59 -4.979 8.169 6.446 1.00 52.21 H new ATOM 0 HG2 GLN A 59 -4.360 5.312 7.243 1.00 24.12 H new ATOM 0 HG3 GLN A 59 -5.797 6.235 7.637 1.00 24.12 H new ATOM 0 HE21 GLN A 59 -4.070 4.484 5.153 1.00 45.33 H new ATOM 0 HE22 GLN A 59 -5.416 4.367 4.015 1.00 45.33 H new ATOM 989 N GLU A 60 -1.460 8.775 6.131 1.00 21.11 N ATOM 990 CA GLU A 60 -0.578 9.941 6.008 1.00 65.22 C ATOM 991 C GLU A 60 -0.030 9.983 4.581 1.00 63.13 C ATOM 992 O GLU A 60 -0.067 11.023 3.917 1.00 53.10 O ATOM 993 CB GLU A 60 0.603 9.807 6.976 1.00 50.14 C ATOM 994 CG GLU A 60 0.231 9.656 8.437 1.00 41.32 C ATOM 995 CD GLU A 60 -0.415 10.877 9.011 1.00 24.35 C ATOM 996 OE1 GLU A 60 -1.650 10.991 8.969 1.00 42.21 O ATOM 997 OE2 GLU A 60 0.311 11.738 9.544 1.00 13.52 O ATOM 0 H GLU A 60 -1.180 8.116 6.858 1.00 21.11 H new ATOM 0 HA GLU A 60 -1.138 10.847 6.239 1.00 65.22 H new ATOM 0 HB2 GLU A 60 1.198 8.944 6.679 1.00 50.14 H new ATOM 0 HB3 GLU A 60 1.240 10.685 6.869 1.00 50.14 H new ATOM 0 HG2 GLU A 60 -0.446 8.809 8.547 1.00 41.32 H new ATOM 0 HG3 GLU A 60 1.128 9.424 9.011 1.00 41.32 H new ATOM 1004 N TYR A 61 0.470 8.818 4.135 1.00 22.53 N ATOM 1005 CA TYR A 61 0.993 8.606 2.781 1.00 40.54 C ATOM 1006 C TYR A 61 -0.016 9.041 1.715 1.00 32.32 C ATOM 1007 O TYR A 61 0.298 9.826 0.814 1.00 72.35 O ATOM 1008 CB TYR A 61 1.332 7.103 2.591 1.00 0.10 C ATOM 1009 CG TYR A 61 1.676 6.711 1.171 1.00 23.45 C ATOM 1010 CD1 TYR A 61 2.814 7.187 0.532 1.00 22.24 C ATOM 1011 CD2 TYR A 61 0.827 5.886 0.465 1.00 60.42 C ATOM 1012 CE1 TYR A 61 3.088 6.835 -0.781 1.00 21.51 C ATOM 1013 CE2 TYR A 61 1.079 5.533 -0.830 1.00 53.31 C ATOM 1014 CZ TYR A 61 2.213 6.006 -1.459 1.00 31.31 C ATOM 1015 OH TYR A 61 2.468 5.659 -2.769 1.00 31.31 O ATOM 0 H TYR A 61 0.521 7.983 4.719 1.00 22.53 H new ATOM 0 HA TYR A 61 1.890 9.213 2.664 1.00 40.54 H new ATOM 0 HB2 TYR A 61 2.171 6.849 3.238 1.00 0.10 H new ATOM 0 HB3 TYR A 61 0.482 6.507 2.923 1.00 0.10 H new ATOM 0 HD1 TYR A 61 3.492 7.838 1.063 1.00 22.24 H new ATOM 0 HD2 TYR A 61 -0.062 5.508 0.949 1.00 60.42 H new ATOM 0 HE1 TYR A 61 3.977 7.205 -1.270 1.00 21.51 H new ATOM 0 HE2 TYR A 61 0.394 4.887 -1.359 1.00 53.31 H new ATOM 0 HH TYR A 61 1.756 5.071 -3.096 1.00 31.31 H new ATOM 1025 N LEU A 62 -1.208 8.531 1.835 1.00 21.12 N ATOM 1026 CA LEU A 62 -2.257 8.786 0.892 1.00 14.43 C ATOM 1027 C LEU A 62 -2.802 10.170 0.967 1.00 32.33 C ATOM 1028 O LEU A 62 -3.034 10.777 -0.057 1.00 0.22 O ATOM 1029 CB LEU A 62 -3.285 7.715 0.995 1.00 50.32 C ATOM 1030 CG LEU A 62 -2.753 6.406 0.457 1.00 14.23 C ATOM 1031 CD1 LEU A 62 -3.501 5.268 0.980 1.00 31.35 C ATOM 1032 CD2 LEU A 62 -2.797 6.394 -1.057 1.00 3.24 C ATOM 0 H LEU A 62 -1.482 7.917 2.602 1.00 21.12 H new ATOM 0 HA LEU A 62 -1.837 8.745 -0.113 1.00 14.43 H new ATOM 0 HB2 LEU A 62 -3.584 7.591 2.036 1.00 50.32 H new ATOM 0 HB3 LEU A 62 -4.177 8.006 0.440 1.00 50.32 H new ATOM 0 HG LEU A 62 -1.718 6.316 0.787 1.00 14.23 H new ATOM 0 HD11 LEU A 62 -3.091 4.344 0.572 1.00 31.35 H new ATOM 0 HD12 LEU A 62 -3.423 5.250 2.067 1.00 31.35 H new ATOM 0 HD13 LEU A 62 -4.549 5.358 0.692 1.00 31.35 H new ATOM 0 HD21 LEU A 62 -2.410 5.444 -1.425 1.00 3.24 H new ATOM 0 HD22 LEU A 62 -3.826 6.521 -1.392 1.00 3.24 H new ATOM 0 HD23 LEU A 62 -2.186 7.209 -1.445 1.00 3.24 H new ATOM 1044 N GLU A 63 -2.978 10.691 2.166 1.00 71.41 N ATOM 1045 CA GLU A 63 -3.386 12.084 2.318 1.00 10.45 C ATOM 1046 C GLU A 63 -2.367 13.006 1.675 1.00 14.21 C ATOM 1047 O GLU A 63 -2.718 13.973 1.027 1.00 31.02 O ATOM 1048 CB GLU A 63 -3.632 12.458 3.781 1.00 4.12 C ATOM 1049 CG GLU A 63 -4.900 11.860 4.359 1.00 24.44 C ATOM 1050 CD GLU A 63 -5.205 12.376 5.735 1.00 15.44 C ATOM 1051 OE1 GLU A 63 -5.803 13.456 5.846 1.00 4.35 O ATOM 1052 OE2 GLU A 63 -4.861 11.711 6.731 1.00 13.15 O ATOM 0 H GLU A 63 -2.848 10.183 3.041 1.00 71.41 H new ATOM 0 HA GLU A 63 -4.338 12.207 1.802 1.00 10.45 H new ATOM 0 HB2 GLU A 63 -2.781 12.130 4.378 1.00 4.12 H new ATOM 0 HB3 GLU A 63 -3.682 13.544 3.866 1.00 4.12 H new ATOM 0 HG2 GLU A 63 -5.737 12.083 3.697 1.00 24.44 H new ATOM 0 HG3 GLU A 63 -4.802 10.775 4.395 1.00 24.44 H new ATOM 1059 N LYS A 64 -1.110 12.668 1.833 1.00 22.30 N ATOM 1060 CA LYS A 64 -0.018 13.388 1.211 1.00 23.54 C ATOM 1061 C LYS A 64 -0.171 13.387 -0.314 1.00 71.25 C ATOM 1062 O LYS A 64 -0.365 14.434 -0.937 1.00 33.35 O ATOM 1063 CB LYS A 64 1.285 12.701 1.552 1.00 23.34 C ATOM 1064 CG LYS A 64 2.472 13.266 0.839 1.00 14.51 C ATOM 1065 CD LYS A 64 2.836 14.636 1.367 1.00 61.12 C ATOM 1066 CE LYS A 64 4.002 15.230 0.608 1.00 40.52 C ATOM 1067 NZ LYS A 64 4.382 16.559 1.133 1.00 2.21 N ATOM 0 H LYS A 64 -0.810 11.877 2.403 1.00 22.30 H new ATOM 0 HA LYS A 64 -0.027 14.414 1.578 1.00 23.54 H new ATOM 0 HB2 LYS A 64 1.451 12.772 2.627 1.00 23.34 H new ATOM 0 HB3 LYS A 64 1.200 11.641 1.312 1.00 23.34 H new ATOM 0 HG2 LYS A 64 3.322 12.593 0.955 1.00 14.51 H new ATOM 0 HG3 LYS A 64 2.260 13.331 -0.228 1.00 14.51 H new ATOM 0 HD2 LYS A 64 1.974 15.298 1.288 1.00 61.12 H new ATOM 0 HD3 LYS A 64 3.088 14.564 2.425 1.00 61.12 H new ATOM 0 HE2 LYS A 64 4.857 14.557 0.671 1.00 40.52 H new ATOM 0 HE3 LYS A 64 3.742 15.317 -0.447 1.00 40.52 H new ATOM 0 HZ1 LYS A 64 5.184 16.932 0.586 1.00 2.21 H new ATOM 0 HZ2 LYS A 64 3.574 17.209 1.050 1.00 2.21 H new ATOM 0 HZ3 LYS A 64 4.655 16.472 2.133 1.00 2.21 H new ATOM 1081 N ALA A 65 -0.076 12.199 -0.885 1.00 70.40 N ATOM 1082 CA ALA A 65 -0.185 11.983 -2.333 1.00 40.32 C ATOM 1083 C ALA A 65 -1.482 12.549 -2.920 1.00 14.21 C ATOM 1084 O ALA A 65 -1.488 13.051 -4.042 1.00 5.41 O ATOM 1085 CB ALA A 65 -0.090 10.501 -2.648 1.00 2.04 C ATOM 0 H ALA A 65 0.081 11.341 -0.357 1.00 70.40 H new ATOM 0 HA ALA A 65 0.644 12.520 -2.795 1.00 40.32 H new ATOM 0 HB1 ALA A 65 -0.172 10.352 -3.725 1.00 2.04 H new ATOM 0 HB2 ALA A 65 0.869 10.116 -2.300 1.00 2.04 H new ATOM 0 HB3 ALA A 65 -0.898 9.970 -2.146 1.00 2.04 H new ATOM 1091 N LEU A 66 -2.561 12.478 -2.170 1.00 30.40 N ATOM 1092 CA LEU A 66 -3.832 13.010 -2.630 1.00 53.03 C ATOM 1093 C LEU A 66 -3.875 14.536 -2.543 1.00 44.43 C ATOM 1094 O LEU A 66 -4.516 15.190 -3.359 1.00 10.44 O ATOM 1095 CB LEU A 66 -5.014 12.375 -1.886 1.00 74.23 C ATOM 1096 CG LEU A 66 -5.250 10.875 -2.126 1.00 62.33 C ATOM 1097 CD1 LEU A 66 -6.430 10.384 -1.303 1.00 43.35 C ATOM 1098 CD2 LEU A 66 -5.479 10.587 -3.605 1.00 51.12 C ATOM 0 H LEU A 66 -2.587 12.059 -1.241 1.00 30.40 H new ATOM 0 HA LEU A 66 -3.926 12.743 -3.683 1.00 53.03 H new ATOM 0 HB2 LEU A 66 -4.867 12.530 -0.817 1.00 74.23 H new ATOM 0 HB3 LEU A 66 -5.921 12.912 -2.165 1.00 74.23 H new ATOM 0 HG LEU A 66 -4.355 10.338 -1.810 1.00 62.33 H new ATOM 0 HD11 LEU A 66 -6.583 9.320 -1.485 1.00 43.35 H new ATOM 0 HD12 LEU A 66 -6.228 10.546 -0.244 1.00 43.35 H new ATOM 0 HD13 LEU A 66 -7.327 10.934 -1.589 1.00 43.35 H new ATOM 0 HD21 LEU A 66 -5.643 9.519 -3.746 1.00 51.12 H new ATOM 0 HD22 LEU A 66 -6.353 11.138 -3.952 1.00 51.12 H new ATOM 0 HD23 LEU A 66 -4.604 10.898 -4.176 1.00 51.12 H new ATOM 1110 N ASN A 67 -3.197 15.103 -1.563 1.00 62.35 N ATOM 1111 CA ASN A 67 -3.139 16.569 -1.421 1.00 75.10 C ATOM 1112 C ASN A 67 -2.032 17.162 -2.283 1.00 53.15 C ATOM 1113 O ASN A 67 -1.945 18.377 -2.444 1.00 20.23 O ATOM 1114 CB ASN A 67 -2.969 17.005 0.045 1.00 62.24 C ATOM 1115 CG ASN A 67 -4.180 16.715 0.919 1.00 73.43 C ATOM 1116 OD1 ASN A 67 -5.322 16.721 0.451 1.00 45.35 O ATOM 1117 ND2 ASN A 67 -3.948 16.469 2.185 1.00 52.14 N ATOM 0 H ASN A 67 -2.678 14.587 -0.852 1.00 62.35 H new ATOM 0 HA ASN A 67 -4.097 16.955 -1.770 1.00 75.10 H new ATOM 0 HB2 ASN A 67 -2.100 16.499 0.466 1.00 62.24 H new ATOM 0 HB3 ASN A 67 -2.760 18.074 0.074 1.00 62.24 H new ATOM 0 HD21 ASN A 67 -4.724 16.274 2.817 1.00 52.14 H new ATOM 0 HD22 ASN A 67 -2.991 16.472 2.538 1.00 52.14 H new ATOM 1124 N LYS A 68 -1.181 16.300 -2.800 1.00 23.22 N ATOM 1125 CA LYS A 68 -0.112 16.681 -3.706 1.00 41.34 C ATOM 1126 C LYS A 68 -0.682 17.241 -5.010 1.00 63.33 C ATOM 1127 O LYS A 68 -1.185 16.449 -5.845 1.00 35.85 O ATOM 1128 CB LYS A 68 0.798 15.483 -3.971 1.00 62.35 C ATOM 1129 CG LYS A 68 1.937 15.754 -4.928 1.00 30.23 C ATOM 1130 CD LYS A 68 2.802 14.530 -5.074 1.00 52.55 C ATOM 1131 CE LYS A 68 3.900 14.726 -6.113 1.00 30.20 C ATOM 1132 NZ LYS A 68 3.359 14.933 -7.474 1.00 64.14 N ATOM 1133 OXT LYS A 68 -0.633 18.465 -5.206 1.00 35.85 O ATOM 0 H LYS A 68 -1.211 15.300 -2.601 1.00 23.22 H new ATOM 0 HA LYS A 68 0.482 17.468 -3.241 1.00 41.34 H new ATOM 0 HB2 LYS A 68 1.212 15.142 -3.022 1.00 62.35 H new ATOM 0 HB3 LYS A 68 0.195 14.666 -4.368 1.00 62.35 H new ATOM 0 HG2 LYS A 68 1.541 16.046 -5.901 1.00 30.23 H new ATOM 0 HG3 LYS A 68 2.536 16.589 -4.564 1.00 30.23 H new ATOM 0 HD2 LYS A 68 3.253 14.288 -4.112 1.00 52.55 H new ATOM 0 HD3 LYS A 68 2.182 13.680 -5.358 1.00 52.55 H new ATOM 0 HE2 LYS A 68 4.511 15.584 -5.834 1.00 30.20 H new ATOM 0 HE3 LYS A 68 4.555 13.855 -6.114 1.00 30.20 H new ATOM 0 HZ1 LYS A 68 4.123 14.825 -8.171 1.00 64.14 H new ATOM 0 HZ2 LYS A 68 2.616 14.230 -7.663 1.00 64.14 H new ATOM 0 HZ3 LYS A 68 2.957 15.890 -7.546 1.00 64.14 H new TER 1147 LYS A 68