USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=10 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 24 LYS NZ :NH3+ -174:sc= 0.628 (180deg=-0.33) USER MOD Set 1.2: A 46 ASN : amide:sc= 0.891 K(o=1.5,f=-4.1) USER MOD Set 2.1: A 44 ASN : amide:sc= 0 X(o=-0.14,f=-0.13) USER MOD Set 2.2: A 45 ASN : amide:sc= -0.145 K(o=-0.14,f=-2.3!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 92:sc= 0.876 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 165:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc=-0.00287 USER MOD Single : A 17 HIS : no HE2:sc= 0.122 K(o=0.12,f=-2.1) USER MOD Single : A 22 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.2) USER MOD Single : A 25 HIS : no HE2:sc= -0.278 X(o=-0.28,f=-0.41) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= -0.0526 (180deg=-0.328) USER MOD Single : A 30 ASN : amide:sc= -0.0344 X(o=-0.034,f=-0.097) USER MOD Single : A 31 THR OG1 : rot 100:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.888 K(o=-0.89,f=-0.0032) USER MOD Single : A 37 GLN : amide:sc= -2.79! C(o=-2.8!,f=-7.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.62) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.234 K(o=0.23,f=-0.76) USER MOD Single : A 61 TYR OH : rot 150:sc= -0.0318 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc=-0.00497 X(o=-0.005,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -19.809 -8.010 -0.015 1.00 13.00 N ATOM 2 CA LYS A 1 -18.421 -7.926 0.432 1.00 3.51 C ATOM 3 C LYS A 1 -17.478 -8.138 -0.736 1.00 74.45 C ATOM 4 O LYS A 1 -17.517 -9.196 -1.373 1.00 73.32 O ATOM 5 CB LYS A 1 -18.101 -8.993 1.500 1.00 14.43 C ATOM 6 CG LYS A 1 -18.845 -8.866 2.817 1.00 64.04 C ATOM 7 CD LYS A 1 -18.378 -9.942 3.794 1.00 40.33 C ATOM 8 CE LYS A 1 -19.036 -9.805 5.159 1.00 22.30 C ATOM 9 NZ LYS A 1 -18.576 -10.850 6.102 1.00 34.22 N ATOM 0 H1 LYS A 1 -20.444 -7.863 0.795 1.00 13.00 H new ATOM 0 H2 LYS A 1 -19.988 -7.278 -0.732 1.00 13.00 H new ATOM 0 H3 LYS A 1 -19.985 -8.949 -0.427 1.00 13.00 H new ATOM 0 HA LYS A 1 -18.286 -6.933 0.861 1.00 3.51 H new ATOM 0 HB2 LYS A 1 -18.316 -9.975 1.078 1.00 14.43 H new ATOM 0 HB3 LYS A 1 -17.031 -8.961 1.706 1.00 14.43 H new ATOM 0 HG2 LYS A 1 -18.675 -7.878 3.245 1.00 64.04 H new ATOM 0 HG3 LYS A 1 -19.918 -8.960 2.647 1.00 64.04 H new ATOM 0 HD2 LYS A 1 -18.602 -10.926 3.382 1.00 40.33 H new ATOM 0 HD3 LYS A 1 -17.296 -9.882 3.907 1.00 40.33 H new ATOM 0 HE2 LYS A 1 -18.814 -8.821 5.572 1.00 22.30 H new ATOM 0 HE3 LYS A 1 -20.119 -9.867 5.048 1.00 22.30 H new ATOM 0 HZ1 LYS A 1 -19.048 -10.721 7.020 1.00 34.22 H new ATOM 0 HZ2 LYS A 1 -18.810 -11.789 5.721 1.00 34.22 H new ATOM 0 HZ3 LYS A 1 -17.546 -10.775 6.228 1.00 34.22 H new ATOM 23 N PRO A 2 -16.634 -7.144 -1.058 1.00 74.34 N ATOM 24 CA PRO A 2 -15.603 -7.310 -2.073 1.00 61.20 C ATOM 25 C PRO A 2 -14.567 -8.303 -1.561 1.00 70.41 C ATOM 26 O PRO A 2 -13.891 -8.042 -0.558 1.00 62.42 O ATOM 27 CB PRO A 2 -14.979 -5.905 -2.203 1.00 33.10 C ATOM 28 CG PRO A 2 -15.947 -4.985 -1.539 1.00 10.33 C ATOM 29 CD PRO A 2 -16.625 -5.795 -0.479 1.00 13.54 C ATOM 0 HA PRO A 2 -15.981 -7.684 -3.025 1.00 61.20 H new ATOM 0 HB2 PRO A 2 -14.002 -5.862 -1.722 1.00 33.10 H new ATOM 0 HB3 PRO A 2 -14.832 -5.634 -3.249 1.00 33.10 H new ATOM 0 HG2 PRO A 2 -15.435 -4.126 -1.106 1.00 10.33 H new ATOM 0 HG3 PRO A 2 -16.670 -4.596 -2.256 1.00 10.33 H new ATOM 0 HD2 PRO A 2 -16.081 -5.763 0.465 1.00 13.54 H new ATOM 0 HD3 PRO A 2 -17.634 -5.434 -0.277 1.00 13.54 H new ATOM 37 N VAL A 3 -14.468 -9.431 -2.208 1.00 43.14 N ATOM 38 CA VAL A 3 -13.593 -10.488 -1.739 1.00 43.44 C ATOM 39 C VAL A 3 -12.140 -10.222 -2.084 1.00 32.34 C ATOM 40 O VAL A 3 -11.824 -9.657 -3.135 1.00 60.13 O ATOM 41 CB VAL A 3 -14.020 -11.888 -2.266 1.00 45.21 C ATOM 42 CG1 VAL A 3 -15.419 -12.238 -1.788 1.00 21.34 C ATOM 43 CG2 VAL A 3 -13.941 -11.954 -3.783 1.00 2.32 C ATOM 0 H VAL A 3 -14.980 -9.649 -3.063 1.00 43.14 H new ATOM 0 HA VAL A 3 -13.691 -10.493 -0.653 1.00 43.44 H new ATOM 0 HB VAL A 3 -13.323 -12.622 -1.862 1.00 45.21 H new ATOM 0 HG11 VAL A 3 -15.698 -13.221 -2.168 1.00 21.34 H new ATOM 0 HG12 VAL A 3 -15.438 -12.251 -0.698 1.00 21.34 H new ATOM 0 HG13 VAL A 3 -16.126 -11.493 -2.155 1.00 21.34 H new ATOM 0 HG21 VAL A 3 -14.245 -12.945 -4.120 1.00 2.32 H new ATOM 0 HG22 VAL A 3 -14.604 -11.204 -4.215 1.00 2.32 H new ATOM 0 HG23 VAL A 3 -12.917 -11.761 -4.103 1.00 2.32 H new ATOM 53 N SER A 4 -11.272 -10.591 -1.184 1.00 65.12 N ATOM 54 CA SER A 4 -9.852 -10.465 -1.387 1.00 4.20 C ATOM 55 C SER A 4 -9.144 -11.735 -0.923 1.00 35.02 C ATOM 56 O SER A 4 -7.962 -11.955 -1.237 1.00 2.15 O ATOM 57 CB SER A 4 -9.321 -9.242 -0.621 1.00 52.15 C ATOM 58 OG SER A 4 -9.610 -9.343 0.770 1.00 51.33 O ATOM 0 H SER A 4 -11.530 -10.991 -0.282 1.00 65.12 H new ATOM 0 HA SER A 4 -9.653 -10.325 -2.449 1.00 4.20 H new ATOM 0 HB2 SER A 4 -8.244 -9.157 -0.767 1.00 52.15 H new ATOM 0 HB3 SER A 4 -9.770 -8.334 -1.024 1.00 52.15 H new ATOM 0 HG SER A 4 -8.857 -9.769 1.230 1.00 51.33 H new ATOM 64 N LEU A 5 -9.901 -12.570 -0.177 1.00 23.42 N ATOM 65 CA LEU A 5 -9.446 -13.830 0.430 1.00 63.35 C ATOM 66 C LEU A 5 -8.427 -13.529 1.534 1.00 62.24 C ATOM 67 O LEU A 5 -8.719 -13.676 2.721 1.00 72.23 O ATOM 68 CB LEU A 5 -8.897 -14.819 -0.653 1.00 60.43 C ATOM 69 CG LEU A 5 -8.660 -16.305 -0.253 1.00 71.51 C ATOM 70 CD1 LEU A 5 -7.565 -16.473 0.787 1.00 34.10 C ATOM 71 CD2 LEU A 5 -9.959 -16.936 0.228 1.00 20.11 C ATOM 0 H LEU A 5 -10.882 -12.373 0.023 1.00 23.42 H new ATOM 0 HA LEU A 5 -10.294 -14.336 0.891 1.00 63.35 H new ATOM 0 HB2 LEU A 5 -9.592 -14.809 -1.493 1.00 60.43 H new ATOM 0 HB3 LEU A 5 -7.951 -14.419 -1.017 1.00 60.43 H new ATOM 0 HG LEU A 5 -8.317 -16.822 -1.149 1.00 71.51 H new ATOM 0 HD11 LEU A 5 -7.447 -17.530 1.024 1.00 34.10 H new ATOM 0 HD12 LEU A 5 -6.626 -16.083 0.393 1.00 34.10 H new ATOM 0 HD13 LEU A 5 -7.835 -15.926 1.691 1.00 34.10 H new ATOM 0 HD21 LEU A 5 -9.778 -17.975 0.504 1.00 20.11 H new ATOM 0 HD22 LEU A 5 -10.330 -16.389 1.095 1.00 20.11 H new ATOM 0 HD23 LEU A 5 -10.700 -16.896 -0.570 1.00 20.11 H new ATOM 83 N SER A 6 -7.268 -13.090 1.142 1.00 15.02 N ATOM 84 CA SER A 6 -6.232 -12.727 2.058 1.00 35.04 C ATOM 85 C SER A 6 -6.368 -11.237 2.372 1.00 33.24 C ATOM 86 O SER A 6 -7.243 -10.553 1.807 1.00 55.31 O ATOM 87 CB SER A 6 -4.883 -13.006 1.402 1.00 72.40 C ATOM 88 OG SER A 6 -4.821 -14.345 0.938 1.00 73.04 O ATOM 0 H SER A 6 -7.013 -12.973 0.161 1.00 15.02 H new ATOM 0 HA SER A 6 -6.307 -13.301 2.981 1.00 35.04 H new ATOM 0 HB2 SER A 6 -4.728 -12.319 0.570 1.00 72.40 H new ATOM 0 HB3 SER A 6 -4.080 -12.826 2.117 1.00 72.40 H new ATOM 0 HG SER A 6 -3.950 -14.506 0.519 1.00 73.04 H new ATOM 94 N TYR A 7 -5.528 -10.733 3.247 1.00 5.03 N ATOM 95 CA TYR A 7 -5.547 -9.323 3.581 1.00 71.52 C ATOM 96 C TYR A 7 -4.972 -8.543 2.406 1.00 30.34 C ATOM 97 O TYR A 7 -5.436 -7.455 2.066 1.00 73.14 O ATOM 98 CB TYR A 7 -4.735 -9.075 4.856 1.00 44.31 C ATOM 99 CG TYR A 7 -4.789 -7.661 5.339 1.00 21.22 C ATOM 100 CD1 TYR A 7 -5.884 -7.210 6.035 1.00 35.05 C ATOM 101 CD2 TYR A 7 -3.750 -6.773 5.091 1.00 32.15 C ATOM 102 CE1 TYR A 7 -5.958 -5.922 6.479 1.00 10.00 C ATOM 103 CE2 TYR A 7 -3.816 -5.474 5.534 1.00 73.43 C ATOM 104 CZ TYR A 7 -4.929 -5.057 6.228 1.00 21.33 C ATOM 105 OH TYR A 7 -5.016 -3.768 6.666 1.00 1.41 O ATOM 0 H TYR A 7 -4.821 -11.277 3.742 1.00 5.03 H new ATOM 0 HA TYR A 7 -6.568 -8.991 3.769 1.00 71.52 H new ATOM 0 HB2 TYR A 7 -5.103 -9.733 5.644 1.00 44.31 H new ATOM 0 HB3 TYR A 7 -3.696 -9.347 4.673 1.00 44.31 H new ATOM 0 HD1 TYR A 7 -6.701 -7.887 6.234 1.00 35.05 H new ATOM 0 HD2 TYR A 7 -2.881 -7.107 4.544 1.00 32.15 H new ATOM 0 HE1 TYR A 7 -6.826 -5.587 7.027 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -3.004 -4.788 5.340 1.00 73.43 H new ATOM 0 HH TYR A 7 -4.132 -3.348 6.623 1.00 1.41 H new ATOM 115 N ARG A 8 -3.962 -9.143 1.800 1.00 5.11 N ATOM 116 CA ARG A 8 -3.298 -8.650 0.607 1.00 63.24 C ATOM 117 C ARG A 8 -2.509 -7.373 0.839 1.00 71.40 C ATOM 118 O ARG A 8 -1.327 -7.429 1.155 1.00 44.13 O ATOM 119 CB ARG A 8 -4.246 -8.491 -0.591 1.00 4.14 C ATOM 120 CG ARG A 8 -4.928 -9.772 -1.040 1.00 35.21 C ATOM 121 CD ARG A 8 -5.761 -9.516 -2.279 1.00 2.14 C ATOM 122 NE ARG A 8 -4.933 -9.042 -3.391 1.00 40.41 N ATOM 123 CZ ARG A 8 -5.342 -8.198 -4.358 1.00 63.21 C ATOM 124 NH1 ARG A 8 -6.586 -7.732 -4.371 1.00 34.21 N ATOM 125 NH2 ARG A 8 -4.507 -7.832 -5.312 1.00 50.32 N ATOM 0 H ARG A 8 -3.567 -10.020 2.139 1.00 5.11 H new ATOM 0 HA ARG A 8 -2.581 -9.431 0.356 1.00 63.24 H new ATOM 0 HB2 ARG A 8 -5.012 -7.759 -0.335 1.00 4.14 H new ATOM 0 HB3 ARG A 8 -3.683 -8.083 -1.430 1.00 4.14 H new ATOM 0 HG2 ARG A 8 -4.180 -10.537 -1.248 1.00 35.21 H new ATOM 0 HG3 ARG A 8 -5.562 -10.155 -0.240 1.00 35.21 H new ATOM 0 HD2 ARG A 8 -6.274 -10.433 -2.570 1.00 2.14 H new ATOM 0 HD3 ARG A 8 -6.531 -8.777 -2.056 1.00 2.14 H new ATOM 0 HE ARG A 8 -3.971 -9.378 -3.437 1.00 40.41 H new ATOM 0 HH11 ARG A 8 -7.243 -8.013 -3.643 1.00 34.21 H new ATOM 0 HH12 ARG A 8 -6.884 -7.093 -5.109 1.00 34.21 H new ATOM 0 HH21 ARG A 8 -3.551 -8.188 -5.318 1.00 50.32 H new ATOM 0 HH22 ARG A 8 -4.817 -7.193 -6.044 1.00 50.32 H new ATOM 139 N CYS A 9 -3.159 -6.240 0.738 1.00 70.32 N ATOM 140 CA CYS A 9 -2.461 -4.975 0.798 1.00 3.22 C ATOM 141 C CYS A 9 -3.091 -4.116 1.880 1.00 32.22 C ATOM 142 O CYS A 9 -4.308 -4.045 1.955 1.00 73.11 O ATOM 143 CB CYS A 9 -2.616 -4.217 -0.546 1.00 60.42 C ATOM 144 SG CYS A 9 -2.413 -5.214 -2.082 1.00 35.42 S ATOM 0 H CYS A 9 -4.169 -6.165 0.614 1.00 70.32 H new ATOM 0 HA CYS A 9 -1.408 -5.165 1.004 1.00 3.22 H new ATOM 0 HB2 CYS A 9 -3.604 -3.757 -0.566 1.00 60.42 H new ATOM 0 HB3 CYS A 9 -1.887 -3.407 -0.567 1.00 60.42 H new ATOM 149 N PRO A 10 -2.289 -3.476 2.753 1.00 21.13 N ATOM 150 CA PRO A 10 -2.816 -2.516 3.733 1.00 31.45 C ATOM 151 C PRO A 10 -3.512 -1.369 2.998 1.00 60.20 C ATOM 152 O PRO A 10 -4.671 -1.027 3.281 1.00 3.11 O ATOM 153 CB PRO A 10 -1.561 -2.009 4.459 1.00 70.42 C ATOM 154 CG PRO A 10 -0.531 -3.062 4.224 1.00 62.14 C ATOM 155 CD PRO A 10 -0.835 -3.653 2.877 1.00 14.05 C ATOM 0 HA PRO A 10 -3.546 -2.948 4.417 1.00 31.45 H new ATOM 0 HB2 PRO A 10 -1.238 -1.045 4.064 1.00 70.42 H new ATOM 0 HB3 PRO A 10 -1.749 -1.871 5.524 1.00 70.42 H new ATOM 0 HG2 PRO A 10 0.472 -2.637 4.245 1.00 62.14 H new ATOM 0 HG3 PRO A 10 -0.570 -3.825 5.002 1.00 62.14 H new ATOM 0 HD2 PRO A 10 -0.297 -3.138 2.081 1.00 14.05 H new ATOM 0 HD3 PRO A 10 -0.551 -4.704 2.825 1.00 14.05 H new ATOM 163 N CYS A 11 -2.808 -0.797 2.050 1.00 31.40 N ATOM 164 CA CYS A 11 -3.364 0.207 1.193 1.00 25.34 C ATOM 165 C CYS A 11 -3.891 -0.434 -0.065 1.00 32.41 C ATOM 166 O CYS A 11 -3.145 -1.090 -0.790 1.00 62.14 O ATOM 167 CB CYS A 11 -2.320 1.253 0.834 1.00 13.23 C ATOM 168 SG CYS A 11 -1.752 2.249 2.238 1.00 24.30 S ATOM 0 H CYS A 11 -1.832 -1.020 1.856 1.00 31.40 H new ATOM 0 HA CYS A 11 -4.179 0.700 1.724 1.00 25.34 H new ATOM 0 HB2 CYS A 11 -1.461 0.754 0.386 1.00 13.23 H new ATOM 0 HB3 CYS A 11 -2.734 1.917 0.075 1.00 13.23 H new ATOM 173 N ARG A 12 -5.170 -0.267 -0.314 1.00 63.23 N ATOM 174 CA ARG A 12 -5.774 -0.802 -1.520 1.00 45.34 C ATOM 175 C ARG A 12 -5.812 0.269 -2.589 1.00 64.53 C ATOM 176 O ARG A 12 -5.299 0.091 -3.699 1.00 22.41 O ATOM 177 CB ARG A 12 -7.214 -1.325 -1.288 1.00 13.35 C ATOM 178 CG ARG A 12 -7.382 -2.587 -0.428 1.00 72.52 C ATOM 179 CD ARG A 12 -7.024 -2.394 1.039 1.00 23.24 C ATOM 180 NE ARG A 12 -7.327 -3.606 1.805 1.00 65.14 N ATOM 181 CZ ARG A 12 -7.369 -3.710 3.136 1.00 60.12 C ATOM 182 NH1 ARG A 12 -6.993 -2.690 3.915 1.00 14.23 N ATOM 183 NH2 ARG A 12 -7.753 -4.855 3.684 1.00 23.14 N ATOM 0 H ARG A 12 -5.814 0.233 0.299 1.00 63.23 H new ATOM 0 HA ARG A 12 -5.159 -1.646 -1.834 1.00 45.34 H new ATOM 0 HB2 ARG A 12 -7.792 -0.524 -0.826 1.00 13.35 H new ATOM 0 HB3 ARG A 12 -7.662 -1.520 -2.262 1.00 13.35 H new ATOM 0 HG2 ARG A 12 -8.416 -2.925 -0.497 1.00 72.52 H new ATOM 0 HG3 ARG A 12 -6.759 -3.380 -0.841 1.00 72.52 H new ATOM 0 HD2 ARG A 12 -5.965 -2.153 1.132 1.00 23.24 H new ATOM 0 HD3 ARG A 12 -7.580 -1.550 1.447 1.00 23.24 H new ATOM 0 HE ARG A 12 -7.525 -4.452 1.270 1.00 65.14 H new ATOM 0 HH11 ARG A 12 -6.669 -1.819 3.494 1.00 14.23 H new ATOM 0 HH12 ARG A 12 -7.030 -2.783 4.930 1.00 14.23 H new ATOM 0 HH21 ARG A 12 -8.012 -5.643 3.090 1.00 23.14 H new ATOM 0 HH22 ARG A 12 -7.789 -4.948 4.699 1.00 23.14 H new ATOM 197 N PHE A 13 -6.404 1.384 -2.240 1.00 12.30 N ATOM 198 CA PHE A 13 -6.584 2.488 -3.149 1.00 31.34 C ATOM 199 C PHE A 13 -5.550 3.554 -2.864 1.00 1.44 C ATOM 200 O PHE A 13 -5.082 3.685 -1.720 1.00 31.50 O ATOM 201 CB PHE A 13 -7.991 3.088 -2.976 1.00 22.13 C ATOM 202 CG PHE A 13 -9.116 2.102 -3.164 1.00 0.52 C ATOM 203 CD1 PHE A 13 -9.591 1.805 -4.426 1.00 0.40 C ATOM 204 CD2 PHE A 13 -9.700 1.477 -2.071 1.00 24.54 C ATOM 205 CE1 PHE A 13 -10.626 0.904 -4.602 1.00 13.12 C ATOM 206 CE2 PHE A 13 -10.733 0.576 -2.238 1.00 4.15 C ATOM 207 CZ PHE A 13 -11.196 0.289 -3.507 1.00 74.43 C ATOM 0 H PHE A 13 -6.779 1.552 -1.306 1.00 12.30 H new ATOM 0 HA PHE A 13 -6.468 2.127 -4.171 1.00 31.34 H new ATOM 0 HB2 PHE A 13 -8.067 3.522 -1.979 1.00 22.13 H new ATOM 0 HB3 PHE A 13 -8.115 3.903 -3.689 1.00 22.13 H new ATOM 0 HD1 PHE A 13 -9.148 2.283 -5.288 1.00 0.40 H new ATOM 0 HD2 PHE A 13 -9.342 1.698 -1.077 1.00 24.54 H new ATOM 0 HE1 PHE A 13 -10.987 0.683 -5.595 1.00 13.12 H new ATOM 0 HE2 PHE A 13 -11.178 0.097 -1.378 1.00 4.15 H new ATOM 0 HZ PHE A 13 -12.003 -0.416 -3.642 1.00 74.43 H new ATOM 217 N PHE A 14 -5.175 4.290 -3.876 1.00 20.32 N ATOM 218 CA PHE A 14 -4.246 5.374 -3.711 1.00 12.52 C ATOM 219 C PHE A 14 -4.910 6.664 -4.107 1.00 30.42 C ATOM 220 O PHE A 14 -5.727 6.681 -5.034 1.00 71.21 O ATOM 221 CB PHE A 14 -2.998 5.196 -4.578 1.00 53.12 C ATOM 222 CG PHE A 14 -2.224 3.939 -4.346 1.00 31.01 C ATOM 223 CD1 PHE A 14 -1.781 3.596 -3.084 1.00 32.32 C ATOM 224 CD2 PHE A 14 -1.934 3.101 -5.399 1.00 43.31 C ATOM 225 CE1 PHE A 14 -1.061 2.438 -2.881 1.00 44.53 C ATOM 226 CE2 PHE A 14 -1.216 1.949 -5.209 1.00 2.25 C ATOM 227 CZ PHE A 14 -0.776 1.612 -3.946 1.00 52.11 C ATOM 0 H PHE A 14 -5.503 4.156 -4.832 1.00 20.32 H new ATOM 0 HA PHE A 14 -3.944 5.388 -2.664 1.00 12.52 H new ATOM 0 HB2 PHE A 14 -3.298 5.229 -5.625 1.00 53.12 H new ATOM 0 HB3 PHE A 14 -2.336 6.045 -4.409 1.00 53.12 H new ATOM 0 HD1 PHE A 14 -2.001 4.242 -2.247 1.00 32.32 H new ATOM 0 HD2 PHE A 14 -2.278 3.355 -6.391 1.00 43.31 H new ATOM 0 HE1 PHE A 14 -0.721 2.179 -1.889 1.00 44.53 H new ATOM 0 HE2 PHE A 14 -0.995 1.306 -6.048 1.00 2.25 H new ATOM 0 HZ PHE A 14 -0.211 0.705 -3.793 1.00 52.11 H new ATOM 237 N GLU A 15 -4.586 7.737 -3.410 1.00 34.04 N ATOM 238 CA GLU A 15 -5.081 9.035 -3.785 1.00 51.03 C ATOM 239 C GLU A 15 -4.461 9.503 -5.062 1.00 61.05 C ATOM 240 O GLU A 15 -5.152 9.939 -5.972 1.00 14.33 O ATOM 241 CB GLU A 15 -4.842 10.056 -2.713 1.00 32.15 C ATOM 242 CG GLU A 15 -5.802 9.936 -1.585 1.00 65.12 C ATOM 243 CD GLU A 15 -7.239 10.201 -1.999 1.00 1.51 C ATOM 244 OE1 GLU A 15 -7.880 9.301 -2.572 1.00 55.13 O ATOM 245 OE2 GLU A 15 -7.746 11.313 -1.753 1.00 44.13 O ATOM 0 H GLU A 15 -3.985 7.729 -2.586 1.00 34.04 H new ATOM 0 HA GLU A 15 -6.156 8.927 -3.927 1.00 51.03 H new ATOM 0 HB2 GLU A 15 -3.826 9.948 -2.334 1.00 32.15 H new ATOM 0 HB3 GLU A 15 -4.917 11.054 -3.144 1.00 32.15 H new ATOM 0 HG2 GLU A 15 -5.731 8.935 -1.159 1.00 65.12 H new ATOM 0 HG3 GLU A 15 -5.521 10.637 -0.799 1.00 65.12 H new ATOM 252 N SER A 16 -3.118 9.419 -5.111 1.00 4.44 N ATOM 253 CA SER A 16 -2.292 9.866 -6.245 1.00 34.14 C ATOM 254 C SER A 16 -2.304 11.411 -6.375 1.00 31.50 C ATOM 255 O SER A 16 -1.267 12.039 -6.583 1.00 22.22 O ATOM 256 CB SER A 16 -2.686 9.150 -7.564 1.00 13.10 C ATOM 257 OG SER A 16 -1.876 9.568 -8.655 1.00 33.14 O ATOM 0 H SER A 16 -2.567 9.030 -4.346 1.00 4.44 H new ATOM 0 HA SER A 16 -1.261 9.576 -6.040 1.00 34.14 H new ATOM 0 HB2 SER A 16 -2.592 8.072 -7.434 1.00 13.10 H new ATOM 0 HB3 SER A 16 -3.733 9.354 -7.790 1.00 13.10 H new ATOM 0 HG SER A 16 -2.152 9.095 -9.468 1.00 33.14 H new ATOM 263 N HIS A 17 -3.467 12.005 -6.206 1.00 74.40 N ATOM 264 CA HIS A 17 -3.646 13.438 -6.229 1.00 13.34 C ATOM 265 C HIS A 17 -3.221 14.015 -4.863 1.00 55.12 C ATOM 266 O HIS A 17 -4.014 14.627 -4.147 1.00 41.22 O ATOM 267 CB HIS A 17 -5.120 13.755 -6.503 1.00 71.32 C ATOM 268 CG HIS A 17 -5.319 15.158 -6.914 1.00 53.03 C ATOM 269 ND1 HIS A 17 -5.236 16.201 -6.051 1.00 35.31 N ATOM 270 CD2 HIS A 17 -5.528 15.694 -8.126 1.00 70.52 C ATOM 271 CE1 HIS A 17 -5.375 17.304 -6.699 1.00 24.04 C ATOM 272 NE2 HIS A 17 -5.559 17.035 -7.964 1.00 42.20 N ATOM 0 H HIS A 17 -4.333 11.491 -6.045 1.00 74.40 H new ATOM 0 HA HIS A 17 -3.035 13.885 -7.014 1.00 13.34 H new ATOM 0 HB2 HIS A 17 -5.494 13.093 -7.284 1.00 71.32 H new ATOM 0 HB3 HIS A 17 -5.706 13.554 -5.606 1.00 71.32 H new ATOM 0 HD1 HIS A 17 -5.087 16.123 -5.045 1.00 35.31 H new ATOM 0 HD2 HIS A 17 -5.649 15.156 -9.055 1.00 70.52 H new ATOM 0 HE1 HIS A 17 -5.344 18.293 -6.267 1.00 24.04 H new ATOM 281 N VAL A 18 -1.984 13.756 -4.505 1.00 3.23 N ATOM 282 CA VAL A 18 -1.391 14.237 -3.277 1.00 13.23 C ATOM 283 C VAL A 18 -0.094 14.954 -3.621 1.00 22.23 C ATOM 284 O VAL A 18 0.777 14.361 -4.248 1.00 73.23 O ATOM 285 CB VAL A 18 -1.075 13.071 -2.299 1.00 73.41 C ATOM 286 CG1 VAL A 18 -0.505 13.596 -0.996 1.00 11.50 C ATOM 287 CG2 VAL A 18 -2.309 12.232 -2.031 1.00 33.15 C ATOM 0 H VAL A 18 -1.348 13.193 -5.071 1.00 3.23 H new ATOM 0 HA VAL A 18 -2.098 14.907 -2.788 1.00 13.23 H new ATOM 0 HB VAL A 18 -0.326 12.437 -2.774 1.00 73.41 H new ATOM 0 HG11 VAL A 18 -0.292 12.761 -0.329 1.00 11.50 H new ATOM 0 HG12 VAL A 18 0.416 14.144 -1.196 1.00 11.50 H new ATOM 0 HG13 VAL A 18 -1.228 14.262 -0.525 1.00 11.50 H new ATOM 0 HG21 VAL A 18 -2.058 11.424 -1.344 1.00 33.15 H new ATOM 0 HG22 VAL A 18 -3.085 12.857 -1.588 1.00 33.15 H new ATOM 0 HG23 VAL A 18 -2.673 11.811 -2.968 1.00 33.15 H new ATOM 297 N ALA A 19 0.017 16.207 -3.248 1.00 13.14 N ATOM 298 CA ALA A 19 1.225 16.974 -3.490 1.00 2.43 C ATOM 299 C ALA A 19 2.068 17.023 -2.221 1.00 40.20 C ATOM 300 O ALA A 19 1.527 16.910 -1.115 1.00 40.44 O ATOM 301 CB ALA A 19 0.873 18.378 -3.946 1.00 71.12 C ATOM 0 H ALA A 19 -0.721 16.725 -2.771 1.00 13.14 H new ATOM 0 HA ALA A 19 1.802 16.490 -4.278 1.00 2.43 H new ATOM 0 HB1 ALA A 19 1.788 18.943 -4.124 1.00 71.12 H new ATOM 0 HB2 ALA A 19 0.293 18.327 -4.868 1.00 71.12 H new ATOM 0 HB3 ALA A 19 0.285 18.874 -3.174 1.00 71.12 H new ATOM 307 N ARG A 20 3.380 17.229 -2.381 1.00 1.42 N ATOM 308 CA ARG A 20 4.349 17.235 -1.264 1.00 55.25 C ATOM 309 C ARG A 20 3.962 18.236 -0.166 1.00 53.21 C ATOM 310 O ARG A 20 4.112 17.960 1.026 1.00 41.12 O ATOM 311 CB ARG A 20 5.759 17.581 -1.790 1.00 22.42 C ATOM 312 CG ARG A 20 6.853 17.594 -0.719 1.00 75.04 C ATOM 313 CD ARG A 20 7.102 16.214 -0.149 1.00 21.41 C ATOM 314 NE ARG A 20 8.058 16.227 0.968 1.00 34.12 N ATOM 315 CZ ARG A 20 9.177 15.489 1.045 1.00 74.12 C ATOM 316 NH1 ARG A 20 9.622 14.823 -0.014 1.00 10.43 N ATOM 317 NH2 ARG A 20 9.877 15.463 2.169 1.00 32.23 N ATOM 0 H ARG A 20 3.808 17.398 -3.291 1.00 1.42 H new ATOM 0 HA ARG A 20 4.342 16.236 -0.828 1.00 55.25 H new ATOM 0 HB2 ARG A 20 6.032 16.860 -2.561 1.00 22.42 H new ATOM 0 HB3 ARG A 20 5.724 18.560 -2.267 1.00 22.42 H new ATOM 0 HG2 ARG A 20 7.777 17.981 -1.149 1.00 75.04 H new ATOM 0 HG3 ARG A 20 6.566 18.272 0.085 1.00 75.04 H new ATOM 0 HD2 ARG A 20 6.157 15.790 0.191 1.00 21.41 H new ATOM 0 HD3 ARG A 20 7.479 15.562 -0.937 1.00 21.41 H new ATOM 0 HE ARG A 20 7.854 16.849 1.750 1.00 34.12 H new ATOM 0 HH11 ARG A 20 9.113 14.869 -0.897 1.00 10.43 H new ATOM 0 HH12 ARG A 20 10.473 14.265 0.055 1.00 10.43 H new ATOM 0 HH21 ARG A 20 9.566 16.004 2.976 1.00 32.23 H new ATOM 0 HH22 ARG A 20 10.727 14.902 2.228 1.00 32.23 H new ATOM 331 N ALA A 21 3.447 19.377 -0.574 1.00 40.45 N ATOM 332 CA ALA A 21 3.110 20.453 0.357 1.00 41.01 C ATOM 333 C ALA A 21 1.837 20.176 1.151 1.00 20.51 C ATOM 334 O ALA A 21 1.551 20.857 2.136 1.00 64.25 O ATOM 335 CB ALA A 21 2.972 21.749 -0.387 1.00 54.55 C ATOM 0 H ALA A 21 3.248 19.592 -1.551 1.00 40.45 H new ATOM 0 HA ALA A 21 3.927 20.516 1.076 1.00 41.01 H new ATOM 0 HB1 ALA A 21 2.721 22.546 0.313 1.00 54.55 H new ATOM 0 HB2 ALA A 21 3.913 21.986 -0.883 1.00 54.55 H new ATOM 0 HB3 ALA A 21 2.182 21.658 -1.132 1.00 54.55 H new ATOM 341 N ASN A 22 1.086 19.182 0.734 1.00 44.43 N ATOM 342 CA ASN A 22 -0.163 18.837 1.406 1.00 55.32 C ATOM 343 C ASN A 22 0.071 17.615 2.285 1.00 13.51 C ATOM 344 O ASN A 22 -0.846 17.055 2.870 1.00 30.45 O ATOM 345 CB ASN A 22 -1.275 18.586 0.354 1.00 32.33 C ATOM 346 CG ASN A 22 -2.673 18.316 0.933 1.00 11.32 C ATOM 347 OD1 ASN A 22 -3.028 18.786 2.033 1.00 71.25 O ATOM 348 ND2 ASN A 22 -3.485 17.594 0.187 1.00 74.53 N ATOM 0 H ASN A 22 1.312 18.593 -0.068 1.00 44.43 H new ATOM 0 HA ASN A 22 -0.493 19.659 2.041 1.00 55.32 H new ATOM 0 HB2 ASN A 22 -1.333 19.453 -0.304 1.00 32.33 H new ATOM 0 HB3 ASN A 22 -0.984 17.736 -0.263 1.00 32.33 H new ATOM 0 HD21 ASN A 22 -4.436 17.405 0.504 1.00 74.53 H new ATOM 0 HD22 ASN A 22 -3.163 17.225 -0.708 1.00 74.53 H new ATOM 355 N VAL A 23 1.327 17.233 2.404 1.00 42.12 N ATOM 356 CA VAL A 23 1.690 16.073 3.204 1.00 11.24 C ATOM 357 C VAL A 23 2.267 16.473 4.575 1.00 23.42 C ATOM 358 O VAL A 23 3.251 17.201 4.669 1.00 3.41 O ATOM 359 CB VAL A 23 2.668 15.128 2.469 1.00 75.41 C ATOM 360 CG1 VAL A 23 3.038 13.965 3.344 1.00 24.33 C ATOM 361 CG2 VAL A 23 2.093 14.650 1.141 1.00 64.15 C ATOM 0 H VAL A 23 2.114 17.705 1.959 1.00 42.12 H new ATOM 0 HA VAL A 23 0.761 15.527 3.370 1.00 11.24 H new ATOM 0 HB VAL A 23 3.573 15.693 2.248 1.00 75.41 H new ATOM 0 HG11 VAL A 23 3.727 13.312 2.809 1.00 24.33 H new ATOM 0 HG12 VAL A 23 3.517 14.331 4.252 1.00 24.33 H new ATOM 0 HG13 VAL A 23 2.139 13.407 3.607 1.00 24.33 H new ATOM 0 HG21 VAL A 23 2.808 13.988 0.652 1.00 64.15 H new ATOM 0 HG22 VAL A 23 1.163 14.111 1.320 1.00 64.15 H new ATOM 0 HG23 VAL A 23 1.897 15.509 0.499 1.00 64.15 H new ATOM 371 N LYS A 24 1.612 16.001 5.609 1.00 24.00 N ATOM 372 CA LYS A 24 1.954 16.227 6.989 1.00 72.52 C ATOM 373 C LYS A 24 2.952 15.159 7.461 1.00 24.31 C ATOM 374 O LYS A 24 3.815 15.416 8.285 1.00 22.23 O ATOM 375 CB LYS A 24 0.682 16.014 7.837 1.00 54.10 C ATOM 376 CG LYS A 24 0.790 16.535 9.245 1.00 73.11 C ATOM 377 CD LYS A 24 0.435 17.990 9.263 1.00 14.42 C ATOM 378 CE LYS A 24 -1.078 18.183 9.411 1.00 75.21 C ATOM 379 NZ LYS A 24 -1.577 17.769 10.753 1.00 63.05 N ATOM 0 H LYS A 24 0.782 15.418 5.502 1.00 24.00 H new ATOM 0 HA LYS A 24 2.371 17.229 7.092 1.00 72.52 H new ATOM 0 HB2 LYS A 24 -0.158 16.503 7.343 1.00 54.10 H new ATOM 0 HB3 LYS A 24 0.455 14.948 7.871 1.00 54.10 H new ATOM 0 HG2 LYS A 24 0.123 15.978 9.903 1.00 73.11 H new ATOM 0 HG3 LYS A 24 1.803 16.391 9.622 1.00 73.11 H new ATOM 0 HD2 LYS A 24 0.951 18.484 10.087 1.00 14.42 H new ATOM 0 HD3 LYS A 24 0.778 18.463 8.343 1.00 14.42 H new ATOM 0 HE2 LYS A 24 -1.326 19.231 9.242 1.00 75.21 H new ATOM 0 HE3 LYS A 24 -1.592 17.606 8.642 1.00 75.21 H new ATOM 0 HZ1 LYS A 24 -2.616 17.822 10.769 1.00 63.05 H new ATOM 0 HZ2 LYS A 24 -1.278 16.792 10.949 1.00 63.05 H new ATOM 0 HZ3 LYS A 24 -1.187 18.403 11.479 1.00 63.05 H new ATOM 393 N HIS A 25 2.802 13.967 6.916 1.00 5.34 N ATOM 394 CA HIS A 25 3.498 12.768 7.393 1.00 40.11 C ATOM 395 C HIS A 25 3.732 11.806 6.247 1.00 63.14 C ATOM 396 O HIS A 25 2.827 11.579 5.473 1.00 33.44 O ATOM 397 CB HIS A 25 2.580 12.109 8.465 1.00 14.42 C ATOM 398 CG HIS A 25 2.914 10.699 8.901 1.00 21.45 C ATOM 399 ND1 HIS A 25 3.374 10.385 10.152 1.00 72.13 N ATOM 400 CD2 HIS A 25 2.761 9.516 8.253 1.00 31.23 C ATOM 401 CE1 HIS A 25 3.487 9.081 10.265 1.00 31.41 C ATOM 402 NE2 HIS A 25 3.120 8.528 9.126 1.00 41.12 N ATOM 0 H HIS A 25 2.188 13.793 6.120 1.00 5.34 H new ATOM 0 HA HIS A 25 4.470 13.025 7.814 1.00 40.11 H new ATOM 0 HB2 HIS A 25 2.587 12.745 9.350 1.00 14.42 H new ATOM 0 HB3 HIS A 25 1.560 12.109 8.080 1.00 14.42 H new ATOM 0 HD1 HIS A 25 3.595 11.060 10.884 1.00 72.13 H new ATOM 0 HD2 HIS A 25 2.419 9.381 7.237 1.00 31.23 H new ATOM 0 HE1 HIS A 25 3.824 8.551 11.144 1.00 31.41 H new ATOM 411 N LEU A 26 4.920 11.239 6.172 1.00 32.22 N ATOM 412 CA LEU A 26 5.263 10.244 5.156 1.00 65.05 C ATOM 413 C LEU A 26 5.773 8.945 5.780 1.00 13.22 C ATOM 414 O LEU A 26 6.702 8.948 6.586 1.00 14.53 O ATOM 415 CB LEU A 26 6.284 10.803 4.151 1.00 44.31 C ATOM 416 CG LEU A 26 5.754 11.835 3.162 1.00 64.43 C ATOM 417 CD1 LEU A 26 6.890 12.490 2.407 1.00 70.12 C ATOM 418 CD2 LEU A 26 4.823 11.154 2.167 1.00 14.42 C ATOM 0 H LEU A 26 5.683 11.452 6.814 1.00 32.22 H new ATOM 0 HA LEU A 26 4.345 10.011 4.616 1.00 65.05 H new ATOM 0 HB2 LEU A 26 7.105 11.253 4.710 1.00 44.31 H new ATOM 0 HB3 LEU A 26 6.702 9.969 3.586 1.00 44.31 H new ATOM 0 HG LEU A 26 5.214 12.600 3.720 1.00 64.43 H new ATOM 0 HD11 LEU A 26 6.487 13.222 1.707 1.00 70.12 H new ATOM 0 HD12 LEU A 26 7.555 12.989 3.112 1.00 70.12 H new ATOM 0 HD13 LEU A 26 7.447 11.731 1.857 1.00 70.12 H new ATOM 0 HD21 LEU A 26 4.444 11.892 1.460 1.00 14.42 H new ATOM 0 HD22 LEU A 26 5.370 10.381 1.627 1.00 14.42 H new ATOM 0 HD23 LEU A 26 3.988 10.701 2.701 1.00 14.42 H new ATOM 430 N LYS A 27 5.135 7.858 5.422 1.00 4.00 N ATOM 431 CA LYS A 27 5.505 6.523 5.855 1.00 74.44 C ATOM 432 C LYS A 27 5.586 5.645 4.628 1.00 71.24 C ATOM 433 O LYS A 27 4.737 5.735 3.775 1.00 5.33 O ATOM 434 CB LYS A 27 4.441 5.946 6.809 1.00 32.12 C ATOM 435 CG LYS A 27 4.718 4.503 7.243 1.00 14.40 C ATOM 436 CD LYS A 27 6.031 4.376 7.994 1.00 12.21 C ATOM 437 CE LYS A 27 5.971 5.034 9.356 1.00 2.14 C ATOM 438 NZ LYS A 27 5.000 4.360 10.255 1.00 71.23 N ATOM 0 H LYS A 27 4.322 7.872 4.806 1.00 4.00 H new ATOM 0 HA LYS A 27 6.459 6.561 6.381 1.00 74.44 H new ATOM 0 HB2 LYS A 27 4.381 6.577 7.696 1.00 32.12 H new ATOM 0 HB3 LYS A 27 3.467 5.988 6.321 1.00 32.12 H new ATOM 0 HG2 LYS A 27 3.903 4.152 7.876 1.00 14.40 H new ATOM 0 HG3 LYS A 27 4.739 3.858 6.364 1.00 14.40 H new ATOM 0 HD2 LYS A 27 6.281 3.322 8.111 1.00 12.21 H new ATOM 0 HD3 LYS A 27 6.830 4.830 7.407 1.00 12.21 H new ATOM 0 HE2 LYS A 27 6.961 5.016 9.812 1.00 2.14 H new ATOM 0 HE3 LYS A 27 5.692 6.082 9.241 1.00 2.14 H new ATOM 0 HZ1 LYS A 27 5.187 4.639 11.239 1.00 71.23 H new ATOM 0 HZ2 LYS A 27 4.033 4.640 9.994 1.00 71.23 H new ATOM 0 HZ3 LYS A 27 5.099 3.329 10.162 1.00 71.23 H new ATOM 452 N ILE A 28 6.587 4.817 4.517 1.00 72.41 N ATOM 453 CA ILE A 28 6.678 3.971 3.350 1.00 73.24 C ATOM 454 C ILE A 28 6.448 2.518 3.746 1.00 34.24 C ATOM 455 O ILE A 28 7.246 1.940 4.496 1.00 55.01 O ATOM 456 CB ILE A 28 8.040 4.115 2.639 1.00 13.32 C ATOM 457 CG1 ILE A 28 8.371 5.586 2.476 1.00 71.21 C ATOM 458 CG2 ILE A 28 7.969 3.493 1.261 1.00 45.42 C ATOM 459 CD1 ILE A 28 9.581 5.834 1.632 1.00 62.11 C ATOM 0 H ILE A 28 7.337 4.707 5.200 1.00 72.41 H new ATOM 0 HA ILE A 28 5.906 4.288 2.649 1.00 73.24 H new ATOM 0 HB ILE A 28 8.803 3.616 3.236 1.00 13.32 H new ATOM 0 HG12 ILE A 28 7.516 6.096 2.031 1.00 71.21 H new ATOM 0 HG13 ILE A 28 8.528 6.027 3.461 1.00 71.21 H new ATOM 0 HG21 ILE A 28 8.934 3.598 0.764 1.00 45.42 H new ATOM 0 HG22 ILE A 28 7.721 2.436 1.351 1.00 45.42 H new ATOM 0 HG23 ILE A 28 7.202 3.997 0.673 1.00 45.42 H new ATOM 0 HD11 ILE A 28 9.759 6.907 1.558 1.00 62.11 H new ATOM 0 HD12 ILE A 28 10.447 5.353 2.087 1.00 62.11 H new ATOM 0 HD13 ILE A 28 9.420 5.423 0.635 1.00 62.11 H new ATOM 471 N LEU A 29 5.376 1.938 3.255 1.00 42.04 N ATOM 472 CA LEU A 29 5.020 0.577 3.594 1.00 24.41 C ATOM 473 C LEU A 29 5.487 -0.389 2.528 1.00 63.15 C ATOM 474 O LEU A 29 5.282 -0.167 1.325 1.00 40.30 O ATOM 475 CB LEU A 29 3.504 0.426 3.790 1.00 32.54 C ATOM 476 CG LEU A 29 2.865 1.237 4.922 1.00 52.35 C ATOM 477 CD1 LEU A 29 1.372 0.955 4.992 1.00 72.05 C ATOM 478 CD2 LEU A 29 3.524 0.920 6.258 1.00 40.41 C ATOM 0 H LEU A 29 4.728 2.393 2.612 1.00 42.04 H new ATOM 0 HA LEU A 29 5.520 0.341 4.533 1.00 24.41 H new ATOM 0 HB2 LEU A 29 3.013 0.701 2.857 1.00 32.54 H new ATOM 0 HB3 LEU A 29 3.288 -0.628 3.965 1.00 32.54 H new ATOM 0 HG LEU A 29 3.016 2.296 4.711 1.00 52.35 H new ATOM 0 HD11 LEU A 29 0.929 1.537 5.800 1.00 72.05 H new ATOM 0 HD12 LEU A 29 0.905 1.232 4.047 1.00 72.05 H new ATOM 0 HD13 LEU A 29 1.211 -0.107 5.179 1.00 72.05 H new ATOM 0 HD21 LEU A 29 3.052 1.508 7.045 1.00 40.41 H new ATOM 0 HD22 LEU A 29 3.407 -0.141 6.479 1.00 40.41 H new ATOM 0 HD23 LEU A 29 4.585 1.165 6.208 1.00 40.41 H new ATOM 490 N ASN A 30 6.104 -1.448 2.960 1.00 74.44 N ATOM 491 CA ASN A 30 6.571 -2.466 2.064 1.00 63.04 C ATOM 492 C ASN A 30 5.712 -3.706 2.183 1.00 22.45 C ATOM 493 O ASN A 30 5.757 -4.424 3.172 1.00 43.53 O ATOM 494 CB ASN A 30 8.089 -2.767 2.246 1.00 1.53 C ATOM 495 CG ASN A 30 8.494 -3.184 3.657 1.00 52.15 C ATOM 496 OD1 ASN A 30 8.506 -4.367 4.001 1.00 34.13 O ATOM 497 ND2 ASN A 30 8.831 -2.214 4.481 1.00 51.34 N ATOM 0 H ASN A 30 6.298 -1.632 3.944 1.00 74.44 H new ATOM 0 HA ASN A 30 6.471 -2.090 1.046 1.00 63.04 H new ATOM 0 HB2 ASN A 30 8.374 -3.558 1.553 1.00 1.53 H new ATOM 0 HB3 ASN A 30 8.657 -1.879 1.967 1.00 1.53 H new ATOM 0 HD21 ASN A 30 9.113 -2.432 5.437 1.00 51.34 H new ATOM 0 HD22 ASN A 30 8.810 -1.245 4.164 1.00 51.34 H new ATOM 504 N THR A 31 4.889 -3.925 1.193 1.00 64.14 N ATOM 505 CA THR A 31 4.021 -5.058 1.193 1.00 41.04 C ATOM 506 C THR A 31 4.503 -6.098 0.173 1.00 72.52 C ATOM 507 O THR A 31 4.378 -5.905 -1.039 1.00 44.21 O ATOM 508 CB THR A 31 2.608 -4.635 0.846 1.00 51.22 C ATOM 509 OG1 THR A 31 2.207 -3.569 1.714 1.00 15.31 O ATOM 510 CG2 THR A 31 1.646 -5.795 1.002 1.00 53.22 C ATOM 0 H THR A 31 4.806 -3.325 0.372 1.00 64.14 H new ATOM 0 HA THR A 31 4.032 -5.499 2.190 1.00 41.04 H new ATOM 0 HB THR A 31 2.589 -4.303 -0.192 1.00 51.22 H new ATOM 0 HG1 THR A 31 2.302 -2.713 1.246 1.00 15.31 H new ATOM 0 HG21 THR A 31 0.638 -5.468 0.748 1.00 53.22 H new ATOM 0 HG22 THR A 31 1.943 -6.606 0.337 1.00 53.22 H new ATOM 0 HG23 THR A 31 1.664 -6.146 2.034 1.00 53.22 H new ATOM 518 N PRO A 32 5.078 -7.193 0.659 1.00 50.34 N ATOM 519 CA PRO A 32 5.589 -8.287 -0.180 1.00 71.11 C ATOM 520 C PRO A 32 4.494 -8.946 -1.024 1.00 50.33 C ATOM 521 O PRO A 32 4.752 -9.440 -2.118 1.00 44.53 O ATOM 522 CB PRO A 32 6.143 -9.291 0.839 1.00 15.41 C ATOM 523 CG PRO A 32 6.363 -8.499 2.077 1.00 60.44 C ATOM 524 CD PRO A 32 5.305 -7.443 2.079 1.00 23.23 C ATOM 0 HA PRO A 32 6.326 -7.929 -0.899 1.00 71.11 H new ATOM 0 HB2 PRO A 32 5.441 -10.107 1.012 1.00 15.41 H new ATOM 0 HB3 PRO A 32 7.072 -9.739 0.487 1.00 15.41 H new ATOM 0 HG2 PRO A 32 6.288 -9.129 2.963 1.00 60.44 H new ATOM 0 HG3 PRO A 32 7.358 -8.055 2.085 1.00 60.44 H new ATOM 0 HD2 PRO A 32 4.398 -7.784 2.578 1.00 23.23 H new ATOM 0 HD3 PRO A 32 5.635 -6.543 2.598 1.00 23.23 H new ATOM 532 N ASN A 33 3.270 -8.928 -0.522 1.00 64.13 N ATOM 533 CA ASN A 33 2.143 -9.545 -1.224 1.00 62.05 C ATOM 534 C ASN A 33 1.524 -8.624 -2.264 1.00 65.30 C ATOM 535 O ASN A 33 0.534 -8.990 -2.898 1.00 22.35 O ATOM 536 CB ASN A 33 1.047 -10.013 -0.243 1.00 41.01 C ATOM 537 CG ASN A 33 1.471 -11.144 0.688 1.00 10.12 C ATOM 538 OD1 ASN A 33 0.993 -11.241 1.823 1.00 0.40 O ATOM 539 ND2 ASN A 33 2.341 -12.015 0.226 1.00 71.35 N ATOM 0 H ASN A 33 3.026 -8.494 0.368 1.00 64.13 H new ATOM 0 HA ASN A 33 2.558 -10.411 -1.740 1.00 62.05 H new ATOM 0 HB2 ASN A 33 0.730 -9.162 0.360 1.00 41.01 H new ATOM 0 HB3 ASN A 33 0.179 -10.338 -0.816 1.00 41.01 H new ATOM 0 HD21 ASN A 33 2.639 -12.797 0.809 1.00 71.35 H new ATOM 0 HD22 ASN A 33 2.718 -11.909 -0.716 1.00 71.35 H new ATOM 546 N CYS A 34 2.087 -7.438 -2.462 1.00 44.30 N ATOM 547 CA CYS A 34 1.491 -6.511 -3.411 1.00 74.41 C ATOM 548 C CYS A 34 2.529 -5.727 -4.187 1.00 54.03 C ATOM 549 O CYS A 34 2.834 -6.061 -5.335 1.00 71.43 O ATOM 550 CB CYS A 34 0.530 -5.544 -2.703 1.00 70.02 C ATOM 551 SG CYS A 34 -0.787 -6.361 -1.767 1.00 74.34 S ATOM 0 H CYS A 34 2.929 -7.104 -1.994 1.00 44.30 H new ATOM 0 HA CYS A 34 0.933 -7.117 -4.125 1.00 74.41 H new ATOM 0 HB2 CYS A 34 1.103 -4.911 -2.026 1.00 70.02 H new ATOM 0 HB3 CYS A 34 0.079 -4.888 -3.447 1.00 70.02 H new ATOM 556 N ALA A 35 3.087 -4.711 -3.535 1.00 74.34 N ATOM 557 CA ALA A 35 4.017 -3.764 -4.121 1.00 51.13 C ATOM 558 C ALA A 35 4.300 -2.720 -3.063 1.00 21.00 C ATOM 559 O ALA A 35 3.930 -2.911 -1.892 1.00 33.33 O ATOM 560 CB ALA A 35 3.390 -3.088 -5.347 1.00 2.42 C ATOM 0 H ALA A 35 2.895 -4.522 -2.551 1.00 74.34 H new ATOM 0 HA ALA A 35 4.928 -4.269 -4.442 1.00 51.13 H new ATOM 0 HB1 ALA A 35 4.100 -2.380 -5.775 1.00 2.42 H new ATOM 0 HB2 ALA A 35 3.138 -3.844 -6.090 1.00 2.42 H new ATOM 0 HB3 ALA A 35 2.486 -2.558 -5.048 1.00 2.42 H new ATOM 566 N LEU A 36 4.931 -1.643 -3.444 1.00 21.24 N ATOM 567 CA LEU A 36 5.210 -0.572 -2.515 1.00 41.01 C ATOM 568 C LEU A 36 4.115 0.405 -2.474 1.00 45.25 C ATOM 569 O LEU A 36 3.392 0.604 -3.457 1.00 74.34 O ATOM 570 CB LEU A 36 6.552 0.133 -2.766 1.00 50.33 C ATOM 571 CG LEU A 36 7.799 -0.625 -2.341 1.00 11.25 C ATOM 572 CD1 LEU A 36 7.761 -0.856 -0.850 1.00 53.22 C ATOM 573 CD2 LEU A 36 7.897 -1.940 -3.060 1.00 31.24 C ATOM 0 H LEU A 36 5.264 -1.480 -4.394 1.00 21.24 H new ATOM 0 HA LEU A 36 5.292 -1.052 -1.540 1.00 41.01 H new ATOM 0 HB2 LEU A 36 6.630 0.351 -3.831 1.00 50.33 H new ATOM 0 HB3 LEU A 36 6.539 1.090 -2.245 1.00 50.33 H new ATOM 0 HG LEU A 36 8.675 -0.030 -2.599 1.00 11.25 H new ATOM 0 HD11 LEU A 36 8.655 -1.400 -0.543 1.00 53.22 H new ATOM 0 HD12 LEU A 36 7.725 0.103 -0.334 1.00 53.22 H new ATOM 0 HD13 LEU A 36 6.876 -1.439 -0.595 1.00 53.22 H new ATOM 0 HD21 LEU A 36 8.797 -2.464 -2.739 1.00 31.24 H new ATOM 0 HD22 LEU A 36 7.022 -2.547 -2.829 1.00 31.24 H new ATOM 0 HD23 LEU A 36 7.943 -1.764 -4.135 1.00 31.24 H new ATOM 585 N GLN A 37 3.987 1.007 -1.350 1.00 74.32 N ATOM 586 CA GLN A 37 2.959 1.964 -1.119 1.00 43.24 C ATOM 587 C GLN A 37 3.413 2.946 -0.069 1.00 32.45 C ATOM 588 O GLN A 37 4.092 2.576 0.888 1.00 21.45 O ATOM 589 CB GLN A 37 1.682 1.238 -0.723 1.00 2.22 C ATOM 590 CG GLN A 37 1.726 0.488 0.598 1.00 33.50 C ATOM 591 CD GLN A 37 0.707 -0.618 0.631 1.00 41.21 C ATOM 592 OE1 GLN A 37 0.124 -0.919 1.664 1.00 71.31 O ATOM 593 NE2 GLN A 37 0.567 -1.306 -0.483 1.00 11.01 N ATOM 0 H GLN A 37 4.600 0.850 -0.550 1.00 74.32 H new ATOM 0 HA GLN A 37 2.749 2.532 -2.025 1.00 43.24 H new ATOM 0 HB2 GLN A 37 0.872 1.966 -0.678 1.00 2.22 H new ATOM 0 HB3 GLN A 37 1.430 0.530 -1.512 1.00 2.22 H new ATOM 0 HG2 GLN A 37 2.722 0.073 0.750 1.00 33.50 H new ATOM 0 HG3 GLN A 37 1.541 1.181 1.419 1.00 33.50 H new ATOM 0 HE21 GLN A 37 1.070 -1.023 -1.324 1.00 11.01 H new ATOM 0 HE22 GLN A 37 -0.045 -2.122 -0.505 1.00 11.01 H new ATOM 602 N ILE A 38 3.095 4.186 -0.254 1.00 53.30 N ATOM 603 CA ILE A 38 3.533 5.194 0.666 1.00 73.34 C ATOM 604 C ILE A 38 2.324 5.813 1.325 1.00 14.34 C ATOM 605 O ILE A 38 1.296 5.945 0.705 1.00 72.24 O ATOM 606 CB ILE A 38 4.402 6.267 -0.054 1.00 64.51 C ATOM 607 CG1 ILE A 38 5.507 5.542 -0.826 1.00 30.20 C ATOM 608 CG2 ILE A 38 5.015 7.235 0.954 1.00 52.30 C ATOM 609 CD1 ILE A 38 6.571 6.420 -1.421 1.00 44.11 C ATOM 0 H ILE A 38 2.533 4.529 -1.033 1.00 53.30 H new ATOM 0 HA ILE A 38 4.162 4.740 1.432 1.00 73.34 H new ATOM 0 HB ILE A 38 3.780 6.848 -0.734 1.00 64.51 H new ATOM 0 HG12 ILE A 38 5.985 4.828 -0.155 1.00 30.20 H new ATOM 0 HG13 ILE A 38 5.046 4.966 -1.629 1.00 30.20 H new ATOM 0 HG21 ILE A 38 5.618 7.975 0.428 1.00 52.30 H new ATOM 0 HG22 ILE A 38 4.220 7.739 1.504 1.00 52.30 H new ATOM 0 HG23 ILE A 38 5.646 6.683 1.651 1.00 52.30 H new ATOM 0 HD11 ILE A 38 7.301 5.803 -1.944 1.00 44.11 H new ATOM 0 HD12 ILE A 38 6.116 7.118 -2.124 1.00 44.11 H new ATOM 0 HD13 ILE A 38 7.069 6.977 -0.627 1.00 44.11 H new ATOM 621 N VAL A 39 2.432 6.137 2.566 1.00 31.21 N ATOM 622 CA VAL A 39 1.329 6.710 3.302 1.00 22.12 C ATOM 623 C VAL A 39 1.647 8.143 3.644 1.00 35.25 C ATOM 624 O VAL A 39 2.742 8.445 4.133 1.00 34.10 O ATOM 625 CB VAL A 39 1.034 5.923 4.609 1.00 71.33 C ATOM 626 CG1 VAL A 39 -0.151 6.514 5.360 1.00 70.24 C ATOM 627 CG2 VAL A 39 0.803 4.453 4.319 1.00 11.54 C ATOM 0 H VAL A 39 3.285 6.017 3.113 1.00 31.21 H new ATOM 0 HA VAL A 39 0.442 6.656 2.671 1.00 22.12 H new ATOM 0 HB VAL A 39 1.912 6.012 5.248 1.00 71.33 H new ATOM 0 HG11 VAL A 39 -0.329 5.939 6.269 1.00 70.24 H new ATOM 0 HG12 VAL A 39 0.064 7.550 5.622 1.00 70.24 H new ATOM 0 HG13 VAL A 39 -1.038 6.477 4.727 1.00 70.24 H new ATOM 0 HG21 VAL A 39 0.599 3.926 5.251 1.00 11.54 H new ATOM 0 HG22 VAL A 39 -0.048 4.344 3.647 1.00 11.54 H new ATOM 0 HG23 VAL A 39 1.692 4.030 3.851 1.00 11.54 H new ATOM 637 N ALA A 40 0.714 9.014 3.399 1.00 24.04 N ATOM 638 CA ALA A 40 0.889 10.393 3.665 1.00 21.23 C ATOM 639 C ALA A 40 -0.296 10.914 4.358 1.00 75.13 C ATOM 640 O ALA A 40 -1.403 10.515 4.074 1.00 63.14 O ATOM 641 CB ALA A 40 1.087 11.152 2.401 1.00 64.12 C ATOM 0 H ALA A 40 -0.196 8.775 3.005 1.00 24.04 H new ATOM 0 HA ALA A 40 1.773 10.514 4.292 1.00 21.23 H new ATOM 0 HB1 ALA A 40 1.219 12.210 2.629 1.00 64.12 H new ATOM 0 HB2 ALA A 40 1.972 10.778 1.887 1.00 64.12 H new ATOM 0 HB3 ALA A 40 0.214 11.025 1.760 1.00 64.12 H new ATOM 647 N ARG A 41 -0.089 11.775 5.271 1.00 61.31 N ATOM 648 CA ARG A 41 -1.181 12.370 5.940 1.00 72.32 C ATOM 649 C ARG A 41 -1.359 13.731 5.409 1.00 63.52 C ATOM 650 O ARG A 41 -0.410 14.450 5.248 1.00 21.51 O ATOM 651 CB ARG A 41 -0.985 12.361 7.422 1.00 30.12 C ATOM 652 CG ARG A 41 -2.215 12.741 8.214 1.00 33.25 C ATOM 653 CD ARG A 41 -1.977 12.375 9.629 1.00 53.54 C ATOM 654 NE ARG A 41 -3.094 12.648 10.527 1.00 33.34 N ATOM 655 CZ ARG A 41 -3.009 12.583 11.868 1.00 35.15 C ATOM 656 NH1 ARG A 41 -1.822 12.395 12.459 1.00 34.34 N ATOM 657 NH2 ARG A 41 -4.087 12.748 12.616 1.00 22.31 N ATOM 0 H ARG A 41 0.832 12.089 5.578 1.00 61.31 H new ATOM 0 HA ARG A 41 -2.088 11.794 5.758 1.00 72.32 H new ATOM 0 HB2 ARG A 41 -0.663 11.366 7.728 1.00 30.12 H new ATOM 0 HB3 ARG A 41 -0.178 13.049 7.674 1.00 30.12 H new ATOM 0 HG2 ARG A 41 -2.411 13.809 8.124 1.00 33.25 H new ATOM 0 HG3 ARG A 41 -3.092 12.222 7.828 1.00 33.25 H new ATOM 0 HD2 ARG A 41 -1.739 11.312 9.680 1.00 53.54 H new ATOM 0 HD3 ARG A 41 -1.101 12.915 9.987 1.00 53.54 H new ATOM 0 HE ARG A 41 -3.991 12.903 10.114 1.00 33.34 H new ATOM 0 HH11 ARG A 41 -0.979 12.301 11.892 1.00 34.34 H new ATOM 0 HH12 ARG A 41 -1.761 12.346 13.476 1.00 34.34 H new ATOM 0 HH21 ARG A 41 -4.990 12.926 12.177 1.00 22.31 H new ATOM 0 HH22 ARG A 41 -4.015 12.697 13.632 1.00 22.31 H new ATOM 671 N LEU A 42 -2.545 14.060 5.108 1.00 71.20 N ATOM 672 CA LEU A 42 -2.846 15.322 4.499 1.00 21.20 C ATOM 673 C LEU A 42 -2.814 16.432 5.520 1.00 43.24 C ATOM 674 O LEU A 42 -3.210 16.238 6.646 1.00 15.33 O ATOM 675 CB LEU A 42 -4.194 15.250 3.780 1.00 73.13 C ATOM 676 CG LEU A 42 -4.261 14.239 2.633 1.00 34.10 C ATOM 677 CD1 LEU A 42 -5.597 14.290 1.951 1.00 22.25 C ATOM 678 CD2 LEU A 42 -3.145 14.469 1.630 1.00 3.20 C ATOM 0 H LEU A 42 -3.359 13.467 5.271 1.00 71.20 H new ATOM 0 HA LEU A 42 -2.081 15.548 3.756 1.00 21.20 H new ATOM 0 HB2 LEU A 42 -4.965 15.001 4.509 1.00 73.13 H new ATOM 0 HB3 LEU A 42 -4.433 16.238 3.388 1.00 73.13 H new ATOM 0 HG LEU A 42 -4.130 13.246 3.062 1.00 34.10 H new ATOM 0 HD11 LEU A 42 -5.619 13.562 1.140 1.00 22.25 H new ATOM 0 HD12 LEU A 42 -6.382 14.056 2.670 1.00 22.25 H new ATOM 0 HD13 LEU A 42 -5.761 15.289 1.547 1.00 22.25 H new ATOM 0 HD21 LEU A 42 -3.220 13.735 0.828 1.00 3.20 H new ATOM 0 HD22 LEU A 42 -3.231 15.472 1.213 1.00 3.20 H new ATOM 0 HD23 LEU A 42 -2.181 14.365 2.128 1.00 3.20 H new ATOM 690 N LYS A 43 -2.301 17.572 5.140 1.00 45.43 N ATOM 691 CA LYS A 43 -2.249 18.698 6.034 1.00 40.30 C ATOM 692 C LYS A 43 -3.600 19.368 6.163 1.00 54.31 C ATOM 693 O LYS A 43 -3.995 19.756 7.248 1.00 31.21 O ATOM 694 CB LYS A 43 -1.180 19.707 5.611 1.00 55.00 C ATOM 695 CG LYS A 43 0.207 19.100 5.505 1.00 34.22 C ATOM 696 CD LYS A 43 1.300 20.140 5.302 1.00 31.20 C ATOM 697 CE LYS A 43 1.444 21.041 6.518 1.00 3.22 C ATOM 698 NZ LYS A 43 2.524 22.030 6.358 1.00 74.42 N ATOM 0 H LYS A 43 -1.912 17.746 4.213 1.00 45.43 H new ATOM 0 HA LYS A 43 -1.972 18.312 7.015 1.00 40.30 H new ATOM 0 HB2 LYS A 43 -1.456 20.137 4.648 1.00 55.00 H new ATOM 0 HB3 LYS A 43 -1.157 20.526 6.330 1.00 55.00 H new ATOM 0 HG2 LYS A 43 0.418 18.531 6.411 1.00 34.22 H new ATOM 0 HG3 LYS A 43 0.226 18.395 4.674 1.00 34.22 H new ATOM 0 HD2 LYS A 43 2.248 19.639 5.104 1.00 31.20 H new ATOM 0 HD3 LYS A 43 1.070 20.745 4.425 1.00 31.20 H new ATOM 0 HE2 LYS A 43 0.502 21.561 6.696 1.00 3.22 H new ATOM 0 HE3 LYS A 43 1.642 20.430 7.399 1.00 3.22 H new ATOM 0 HZ1 LYS A 43 2.583 22.621 7.212 1.00 74.42 H new ATOM 0 HZ2 LYS A 43 3.428 21.537 6.215 1.00 74.42 H new ATOM 0 HZ3 LYS A 43 2.324 22.632 5.534 1.00 74.42 H new ATOM 712 N ASN A 44 -4.319 19.475 5.067 1.00 75.45 N ATOM 713 CA ASN A 44 -5.632 20.124 5.100 1.00 14.21 C ATOM 714 C ASN A 44 -6.714 19.176 5.591 1.00 43.14 C ATOM 715 O ASN A 44 -7.558 19.546 6.403 1.00 35.31 O ATOM 716 CB ASN A 44 -6.008 20.704 3.730 1.00 43.40 C ATOM 717 CG ASN A 44 -7.368 21.397 3.738 1.00 13.21 C ATOM 718 OD1 ASN A 44 -8.402 20.776 3.477 1.00 3.34 O ATOM 719 ND2 ASN A 44 -7.377 22.672 4.031 1.00 62.42 N ATOM 0 H ASN A 44 -4.032 19.130 4.151 1.00 75.45 H new ATOM 0 HA ASN A 44 -5.559 20.949 5.809 1.00 14.21 H new ATOM 0 HB2 ASN A 44 -5.244 21.416 3.419 1.00 43.40 H new ATOM 0 HB3 ASN A 44 -6.017 19.903 2.991 1.00 43.40 H new ATOM 0 HD21 ASN A 44 -8.258 23.185 4.049 1.00 62.42 H new ATOM 0 HD22 ASN A 44 -6.503 23.153 4.242 1.00 62.42 H new ATOM 726 N ASN A 45 -6.669 17.942 5.126 1.00 61.34 N ATOM 727 CA ASN A 45 -7.704 16.954 5.476 1.00 22.41 C ATOM 728 C ASN A 45 -7.334 16.249 6.751 1.00 44.33 C ATOM 729 O ASN A 45 -8.183 15.710 7.444 1.00 13.44 O ATOM 730 CB ASN A 45 -7.872 15.893 4.369 1.00 65.33 C ATOM 731 CG ASN A 45 -8.287 16.437 3.011 1.00 74.40 C ATOM 732 OD1 ASN A 45 -7.968 17.565 2.645 1.00 74.04 O ATOM 733 ND2 ASN A 45 -8.975 15.632 2.249 1.00 62.23 N ATOM 0 H ASN A 45 -5.938 17.589 4.509 1.00 61.34 H new ATOM 0 HA ASN A 45 -8.642 17.497 5.596 1.00 22.41 H new ATOM 0 HB2 ASN A 45 -6.930 15.357 4.256 1.00 65.33 H new ATOM 0 HB3 ASN A 45 -8.616 15.166 4.694 1.00 65.33 H new ATOM 0 HD21 ASN A 45 -9.264 15.934 1.319 1.00 62.23 H new ATOM 0 HD22 ASN A 45 -9.224 14.701 2.584 1.00 62.23 H new ATOM 740 N ASN A 46 -6.046 16.244 7.041 1.00 61.00 N ATOM 741 CA ASN A 46 -5.468 15.597 8.226 1.00 33.21 C ATOM 742 C ASN A 46 -5.649 14.089 8.235 1.00 2.42 C ATOM 743 O ASN A 46 -5.399 13.440 9.246 1.00 23.33 O ATOM 744 CB ASN A 46 -5.937 16.232 9.548 1.00 72.14 C ATOM 745 CG ASN A 46 -5.468 17.668 9.707 1.00 74.41 C ATOM 746 OD1 ASN A 46 -4.364 17.924 10.216 1.00 50.51 O ATOM 747 ND2 ASN A 46 -6.291 18.611 9.307 1.00 62.30 N ATOM 0 H ASN A 46 -5.348 16.698 6.451 1.00 61.00 H new ATOM 0 HA ASN A 46 -4.396 15.780 8.150 1.00 33.21 H new ATOM 0 HB2 ASN A 46 -7.026 16.202 9.595 1.00 72.14 H new ATOM 0 HB3 ASN A 46 -5.566 15.638 10.383 1.00 72.14 H new ATOM 0 HD21 ASN A 46 -6.031 19.592 9.410 1.00 62.30 H new ATOM 0 HD22 ASN A 46 -7.190 18.362 8.893 1.00 62.30 H new ATOM 754 N ARG A 47 -6.026 13.515 7.099 1.00 70.12 N ATOM 755 CA ARG A 47 -6.219 12.093 7.040 1.00 23.20 C ATOM 756 C ARG A 47 -5.044 11.451 6.328 1.00 40.44 C ATOM 757 O ARG A 47 -4.374 12.105 5.530 1.00 23.12 O ATOM 758 CB ARG A 47 -7.514 11.732 6.308 1.00 3.44 C ATOM 759 CG ARG A 47 -7.454 11.837 4.797 1.00 53.01 C ATOM 760 CD ARG A 47 -8.726 11.277 4.171 1.00 20.22 C ATOM 761 NE ARG A 47 -8.657 11.168 2.700 1.00 42.33 N ATOM 762 CZ ARG A 47 -9.281 10.204 1.983 1.00 73.11 C ATOM 763 NH1 ARG A 47 -10.037 9.299 2.595 1.00 35.11 N ATOM 764 NH2 ARG A 47 -9.147 10.155 0.660 1.00 43.11 N ATOM 0 H ARG A 47 -6.199 14.013 6.226 1.00 70.12 H new ATOM 0 HA ARG A 47 -6.290 11.720 8.062 1.00 23.20 H new ATOM 0 HB2 ARG A 47 -7.790 10.712 6.574 1.00 3.44 H new ATOM 0 HB3 ARG A 47 -8.310 12.383 6.670 1.00 3.44 H new ATOM 0 HG2 ARG A 47 -7.326 12.879 4.504 1.00 53.01 H new ATOM 0 HG3 ARG A 47 -6.587 11.292 4.423 1.00 53.01 H new ATOM 0 HD2 ARG A 47 -8.926 10.292 4.592 1.00 20.22 H new ATOM 0 HD3 ARG A 47 -9.567 11.916 4.442 1.00 20.22 H new ATOM 0 HE ARG A 47 -8.106 11.861 2.193 1.00 42.33 H new ATOM 0 HH11 ARG A 47 -10.149 9.329 3.608 1.00 35.11 H new ATOM 0 HH12 ARG A 47 -10.506 8.574 2.051 1.00 35.11 H new ATOM 0 HH21 ARG A 47 -8.571 10.847 0.180 1.00 43.11 H new ATOM 0 HH22 ARG A 47 -9.620 9.426 0.126 1.00 43.11 H new ATOM 778 N GLN A 48 -4.780 10.208 6.623 1.00 13.32 N ATOM 779 CA GLN A 48 -3.750 9.471 5.927 1.00 60.44 C ATOM 780 C GLN A 48 -4.265 8.838 4.686 1.00 11.12 C ATOM 781 O GLN A 48 -5.282 8.140 4.688 1.00 45.24 O ATOM 782 CB GLN A 48 -3.024 8.470 6.812 1.00 53.23 C ATOM 783 CG GLN A 48 -1.961 9.099 7.652 1.00 4.14 C ATOM 784 CD GLN A 48 -1.359 8.176 8.678 1.00 14.22 C ATOM 785 OE1 GLN A 48 -1.277 6.970 8.480 1.00 74.11 O ATOM 786 NE2 GLN A 48 -0.936 8.726 9.778 1.00 62.13 N ATOM 0 H GLN A 48 -5.266 9.677 7.346 1.00 13.32 H new ATOM 0 HA GLN A 48 -3.003 10.209 5.634 1.00 60.44 H new ATOM 0 HB2 GLN A 48 -3.747 7.975 7.461 1.00 53.23 H new ATOM 0 HB3 GLN A 48 -2.576 7.698 6.186 1.00 53.23 H new ATOM 0 HG2 GLN A 48 -1.168 9.466 7.000 1.00 4.14 H new ATOM 0 HG3 GLN A 48 -2.382 9.966 8.162 1.00 4.14 H new ATOM 0 HE21 GLN A 48 -1.020 9.734 9.909 1.00 62.13 H new ATOM 0 HE22 GLN A 48 -0.520 8.149 10.509 1.00 62.13 H new ATOM 795 N VAL A 49 -3.596 9.116 3.634 1.00 73.23 N ATOM 796 CA VAL A 49 -3.898 8.590 2.355 1.00 63.20 C ATOM 797 C VAL A 49 -2.760 7.779 1.853 1.00 72.55 C ATOM 798 O VAL A 49 -1.602 8.021 2.204 1.00 11.15 O ATOM 799 CB VAL A 49 -4.235 9.678 1.320 1.00 4.03 C ATOM 800 CG1 VAL A 49 -5.533 10.371 1.651 1.00 44.40 C ATOM 801 CG2 VAL A 49 -3.121 10.694 1.169 1.00 51.21 C ATOM 0 H VAL A 49 -2.790 9.741 3.637 1.00 73.23 H new ATOM 0 HA VAL A 49 -4.785 7.969 2.480 1.00 63.20 H new ATOM 0 HB VAL A 49 -4.348 9.167 0.364 1.00 4.03 H new ATOM 0 HG11 VAL A 49 -5.740 11.133 0.900 1.00 44.40 H new ATOM 0 HG12 VAL A 49 -6.343 9.641 1.661 1.00 44.40 H new ATOM 0 HG13 VAL A 49 -5.455 10.840 2.632 1.00 44.40 H new ATOM 0 HG21 VAL A 49 -3.407 11.440 0.428 1.00 51.21 H new ATOM 0 HG22 VAL A 49 -2.943 11.183 2.126 1.00 51.21 H new ATOM 0 HG23 VAL A 49 -2.211 10.190 0.844 1.00 51.21 H new ATOM 811 N CYS A 50 -3.068 6.818 1.069 1.00 20.02 N ATOM 812 CA CYS A 50 -2.070 6.014 0.488 1.00 0.32 C ATOM 813 C CYS A 50 -1.695 6.583 -0.862 1.00 53.52 C ATOM 814 O CYS A 50 -2.557 6.935 -1.677 1.00 75.11 O ATOM 815 CB CYS A 50 -2.525 4.575 0.426 1.00 14.21 C ATOM 816 SG CYS A 50 -2.911 3.904 2.086 1.00 13.13 S ATOM 0 H CYS A 50 -4.023 6.567 0.812 1.00 20.02 H new ATOM 0 HA CYS A 50 -1.170 6.020 1.103 1.00 0.32 H new ATOM 0 HB2 CYS A 50 -3.408 4.501 -0.209 1.00 14.21 H new ATOM 0 HB3 CYS A 50 -1.747 3.969 -0.038 1.00 14.21 H new ATOM 821 N ILE A 51 -0.437 6.727 -1.055 1.00 4.04 N ATOM 822 CA ILE A 51 0.135 7.316 -2.214 1.00 41.30 C ATOM 823 C ILE A 51 0.658 6.261 -3.176 1.00 43.05 C ATOM 824 O ILE A 51 1.170 5.214 -2.760 1.00 11.23 O ATOM 825 CB ILE A 51 1.281 8.277 -1.805 1.00 60.41 C ATOM 826 CG1 ILE A 51 0.750 9.504 -1.073 1.00 71.52 C ATOM 827 CG2 ILE A 51 2.122 8.680 -2.965 1.00 61.21 C ATOM 828 CD1 ILE A 51 1.830 10.505 -0.732 1.00 13.32 C ATOM 0 H ILE A 51 0.260 6.423 -0.376 1.00 4.04 H new ATOM 0 HA ILE A 51 -0.646 7.877 -2.727 1.00 41.30 H new ATOM 0 HB ILE A 51 1.919 7.721 -1.118 1.00 60.41 H new ATOM 0 HG12 ILE A 51 -0.005 9.990 -1.691 1.00 71.52 H new ATOM 0 HG13 ILE A 51 0.255 9.186 -0.155 1.00 71.52 H new ATOM 0 HG21 ILE A 51 2.910 9.353 -2.627 1.00 61.21 H new ATOM 0 HG22 ILE A 51 2.570 7.794 -3.415 1.00 61.21 H new ATOM 0 HG23 ILE A 51 1.503 9.189 -3.704 1.00 61.21 H new ATOM 0 HD11 ILE A 51 1.387 11.355 -0.212 1.00 13.32 H new ATOM 0 HD12 ILE A 51 2.573 10.033 -0.089 1.00 13.32 H new ATOM 0 HD13 ILE A 51 2.309 10.850 -1.648 1.00 13.32 H new ATOM 840 N ASP A 52 0.515 6.551 -4.451 1.00 70.13 N ATOM 841 CA ASP A 52 0.993 5.703 -5.507 1.00 24.33 C ATOM 842 C ASP A 52 2.467 5.990 -5.759 1.00 34.55 C ATOM 843 O ASP A 52 2.850 7.149 -5.961 1.00 62.32 O ATOM 844 CB ASP A 52 0.195 5.969 -6.769 1.00 74.05 C ATOM 845 CG ASP A 52 0.617 5.102 -7.916 1.00 13.20 C ATOM 846 OD1 ASP A 52 0.369 3.885 -7.880 1.00 31.00 O ATOM 847 OD2 ASP A 52 1.162 5.633 -8.882 1.00 61.22 O ATOM 0 H ASP A 52 0.055 7.399 -4.782 1.00 70.13 H new ATOM 0 HA ASP A 52 0.874 4.658 -5.220 1.00 24.33 H new ATOM 0 HB2 ASP A 52 -0.863 5.805 -6.566 1.00 74.05 H new ATOM 0 HB3 ASP A 52 0.307 7.016 -7.050 1.00 74.05 H new ATOM 852 N PRO A 53 3.309 4.950 -5.757 1.00 34.25 N ATOM 853 CA PRO A 53 4.770 5.083 -5.933 1.00 61.43 C ATOM 854 C PRO A 53 5.193 5.598 -7.323 1.00 70.21 C ATOM 855 O PRO A 53 6.381 5.829 -7.570 1.00 51.34 O ATOM 856 CB PRO A 53 5.278 3.656 -5.723 1.00 65.34 C ATOM 857 CG PRO A 53 4.112 2.806 -6.067 1.00 75.54 C ATOM 858 CD PRO A 53 2.921 3.545 -5.562 1.00 52.00 C ATOM 0 HA PRO A 53 5.179 5.820 -5.242 1.00 61.43 H new ATOM 0 HB2 PRO A 53 6.133 3.438 -6.363 1.00 65.34 H new ATOM 0 HB3 PRO A 53 5.600 3.494 -4.694 1.00 65.34 H new ATOM 0 HG2 PRO A 53 4.047 2.645 -7.143 1.00 75.54 H new ATOM 0 HG3 PRO A 53 4.191 1.823 -5.602 1.00 75.54 H new ATOM 0 HD2 PRO A 53 2.020 3.292 -6.121 1.00 52.00 H new ATOM 0 HD3 PRO A 53 2.720 3.322 -4.514 1.00 52.00 H new ATOM 866 N LYS A 54 4.242 5.752 -8.226 1.00 54.24 N ATOM 867 CA LYS A 54 4.548 6.259 -9.545 1.00 72.44 C ATOM 868 C LYS A 54 4.579 7.780 -9.596 1.00 63.53 C ATOM 869 O LYS A 54 5.017 8.358 -10.604 1.00 20.43 O ATOM 870 CB LYS A 54 3.605 5.699 -10.581 1.00 60.22 C ATOM 871 CG LYS A 54 3.753 4.203 -10.757 1.00 51.41 C ATOM 872 CD LYS A 54 2.727 3.651 -11.711 1.00 74.32 C ATOM 873 CE LYS A 54 2.824 4.277 -13.095 1.00 73.10 C ATOM 874 NZ LYS A 54 1.828 3.718 -14.022 1.00 70.44 N ATOM 0 H LYS A 54 3.258 5.534 -8.069 1.00 54.24 H new ATOM 0 HA LYS A 54 5.555 5.917 -9.782 1.00 72.44 H new ATOM 0 HB2 LYS A 54 2.579 5.927 -10.293 1.00 60.22 H new ATOM 0 HB3 LYS A 54 3.786 6.193 -11.536 1.00 60.22 H new ATOM 0 HG2 LYS A 54 4.753 3.977 -11.127 1.00 51.41 H new ATOM 0 HG3 LYS A 54 3.653 3.711 -9.790 1.00 51.41 H new ATOM 0 HD2 LYS A 54 2.856 2.572 -11.794 1.00 74.32 H new ATOM 0 HD3 LYS A 54 1.729 3.823 -11.307 1.00 74.32 H new ATOM 0 HE2 LYS A 54 2.682 5.355 -13.016 1.00 73.10 H new ATOM 0 HE3 LYS A 54 3.824 4.116 -13.497 1.00 73.10 H new ATOM 0 HZ1 LYS A 54 1.928 4.171 -14.953 1.00 70.44 H new ATOM 0 HZ2 LYS A 54 1.979 2.693 -14.117 1.00 70.44 H new ATOM 0 HZ3 LYS A 54 0.872 3.894 -13.652 1.00 70.44 H new ATOM 888 N LEU A 55 4.115 8.442 -8.517 1.00 20.05 N ATOM 889 CA LEU A 55 4.178 9.906 -8.436 1.00 33.02 C ATOM 890 C LEU A 55 5.617 10.386 -8.584 1.00 32.54 C ATOM 891 O LEU A 55 6.523 9.849 -7.951 1.00 42.11 O ATOM 892 CB LEU A 55 3.586 10.409 -7.118 1.00 50.42 C ATOM 893 CG LEU A 55 2.076 10.238 -6.918 1.00 4.13 C ATOM 894 CD1 LEU A 55 1.664 10.861 -5.606 1.00 34.41 C ATOM 895 CD2 LEU A 55 1.322 10.897 -8.048 1.00 54.43 C ATOM 0 H LEU A 55 3.699 7.989 -7.703 1.00 20.05 H new ATOM 0 HA LEU A 55 3.585 10.314 -9.254 1.00 33.02 H new ATOM 0 HB2 LEU A 55 4.095 9.897 -6.302 1.00 50.42 H new ATOM 0 HB3 LEU A 55 3.821 11.469 -7.025 1.00 50.42 H new ATOM 0 HG LEU A 55 1.840 9.174 -6.907 1.00 4.13 H new ATOM 0 HD11 LEU A 55 0.590 10.738 -5.466 1.00 34.41 H new ATOM 0 HD12 LEU A 55 2.195 10.372 -4.789 1.00 34.41 H new ATOM 0 HD13 LEU A 55 1.910 11.923 -5.614 1.00 34.41 H new ATOM 0 HD21 LEU A 55 0.251 10.768 -7.894 1.00 54.43 H new ATOM 0 HD22 LEU A 55 1.560 11.960 -8.073 1.00 54.43 H new ATOM 0 HD23 LEU A 55 1.610 10.439 -8.994 1.00 54.43 H new ATOM 907 N LYS A 56 5.820 11.389 -9.418 1.00 21.21 N ATOM 908 CA LYS A 56 7.152 11.893 -9.712 1.00 25.51 C ATOM 909 C LYS A 56 7.834 12.438 -8.474 1.00 30.45 C ATOM 910 O LYS A 56 8.999 12.128 -8.225 1.00 42.01 O ATOM 911 CB LYS A 56 7.116 12.955 -10.807 1.00 50.04 C ATOM 912 CG LYS A 56 8.488 13.522 -11.148 1.00 31.21 C ATOM 913 CD LYS A 56 8.402 14.597 -12.206 1.00 74.53 C ATOM 914 CE LYS A 56 9.765 15.183 -12.494 1.00 21.14 C ATOM 915 NZ LYS A 56 9.702 16.244 -13.516 1.00 34.52 N ATOM 0 H LYS A 56 5.071 11.877 -9.910 1.00 21.21 H new ATOM 0 HA LYS A 56 7.736 11.046 -10.072 1.00 25.51 H new ATOM 0 HB2 LYS A 56 6.676 12.524 -11.706 1.00 50.04 H new ATOM 0 HB3 LYS A 56 6.463 13.769 -10.492 1.00 50.04 H new ATOM 0 HG2 LYS A 56 8.946 13.933 -10.248 1.00 31.21 H new ATOM 0 HG3 LYS A 56 9.137 12.719 -11.497 1.00 31.21 H new ATOM 0 HD2 LYS A 56 7.981 14.179 -13.121 1.00 74.53 H new ATOM 0 HD3 LYS A 56 7.726 15.385 -11.875 1.00 74.53 H new ATOM 0 HE2 LYS A 56 10.187 15.589 -11.575 1.00 21.14 H new ATOM 0 HE3 LYS A 56 10.436 14.393 -12.831 1.00 21.14 H new ATOM 0 HZ1 LYS A 56 10.657 16.620 -13.685 1.00 34.52 H new ATOM 0 HZ2 LYS A 56 9.323 15.851 -14.401 1.00 34.52 H new ATOM 0 HZ3 LYS A 56 9.082 17.010 -13.183 1.00 34.52 H new ATOM 929 N TRP A 57 7.106 13.215 -7.669 1.00 74.41 N ATOM 930 CA TRP A 57 7.703 13.787 -6.467 1.00 3.35 C ATOM 931 C TRP A 57 8.022 12.678 -5.471 1.00 4.42 C ATOM 932 O TRP A 57 8.890 12.821 -4.613 1.00 73.21 O ATOM 933 CB TRP A 57 6.819 14.875 -5.824 1.00 61.31 C ATOM 934 CG TRP A 57 5.540 14.394 -5.192 1.00 15.03 C ATOM 935 CD1 TRP A 57 4.314 14.246 -5.779 1.00 40.55 C ATOM 936 CD2 TRP A 57 5.373 14.009 -3.827 1.00 63.14 C ATOM 937 NE1 TRP A 57 3.407 13.814 -4.839 1.00 73.32 N ATOM 938 CE2 TRP A 57 4.031 13.657 -3.652 1.00 22.33 C ATOM 939 CE3 TRP A 57 6.234 13.933 -2.739 1.00 31.24 C ATOM 940 CZ2 TRP A 57 3.525 13.238 -2.437 1.00 53.42 C ATOM 941 CZ3 TRP A 57 5.737 13.512 -1.533 1.00 64.20 C ATOM 942 CH2 TRP A 57 4.392 13.167 -1.385 1.00 11.43 C ATOM 0 H TRP A 57 6.127 13.456 -7.824 1.00 74.41 H new ATOM 0 HA TRP A 57 8.628 14.283 -6.762 1.00 3.35 H new ATOM 0 HB2 TRP A 57 7.406 15.390 -5.064 1.00 61.31 H new ATOM 0 HB3 TRP A 57 6.570 15.612 -6.588 1.00 61.31 H new ATOM 0 HD1 TRP A 57 4.092 14.438 -6.818 1.00 40.55 H new ATOM 0 HE1 TRP A 57 2.417 13.639 -5.012 1.00 73.32 H new ATOM 0 HE3 TRP A 57 7.275 14.201 -2.842 1.00 31.24 H new ATOM 0 HZ2 TRP A 57 2.483 12.977 -2.324 1.00 53.42 H new ATOM 0 HZ3 TRP A 57 6.398 13.446 -0.681 1.00 64.20 H new ATOM 0 HH2 TRP A 57 4.031 12.838 -0.421 1.00 11.43 H new ATOM 953 N ILE A 58 7.318 11.576 -5.613 1.00 74.24 N ATOM 954 CA ILE A 58 7.526 10.406 -4.818 1.00 54.52 C ATOM 955 C ILE A 58 8.800 9.715 -5.243 1.00 42.13 C ATOM 956 O ILE A 58 9.561 9.260 -4.414 1.00 54.41 O ATOM 957 CB ILE A 58 6.311 9.457 -4.920 1.00 2.14 C ATOM 958 CG1 ILE A 58 5.137 9.994 -4.119 1.00 22.42 C ATOM 959 CG2 ILE A 58 6.631 8.031 -4.549 1.00 53.34 C ATOM 960 CD1 ILE A 58 5.398 10.080 -2.634 1.00 14.43 C ATOM 0 H ILE A 58 6.572 11.476 -6.301 1.00 74.24 H new ATOM 0 HA ILE A 58 7.628 10.699 -3.773 1.00 54.52 H new ATOM 0 HB ILE A 58 6.028 9.430 -5.972 1.00 2.14 H new ATOM 0 HG12 ILE A 58 4.879 10.986 -4.491 1.00 22.42 H new ATOM 0 HG13 ILE A 58 4.271 9.355 -4.289 1.00 22.42 H new ATOM 0 HG21 ILE A 58 5.733 7.420 -4.643 1.00 53.34 H new ATOM 0 HG22 ILE A 58 7.403 7.646 -5.215 1.00 53.34 H new ATOM 0 HG23 ILE A 58 6.989 7.994 -3.520 1.00 53.34 H new ATOM 0 HD11 ILE A 58 4.514 10.472 -2.131 1.00 14.43 H new ATOM 0 HD12 ILE A 58 5.625 9.087 -2.246 1.00 14.43 H new ATOM 0 HD13 ILE A 58 6.243 10.743 -2.451 1.00 14.43 H new ATOM 972 N GLN A 59 9.037 9.666 -6.541 1.00 42.43 N ATOM 973 CA GLN A 59 10.265 9.103 -7.072 1.00 22.10 C ATOM 974 C GLN A 59 11.446 9.908 -6.551 1.00 32.02 C ATOM 975 O GLN A 59 12.482 9.346 -6.175 1.00 32.20 O ATOM 976 CB GLN A 59 10.257 9.114 -8.598 1.00 65.52 C ATOM 977 CG GLN A 59 9.108 8.343 -9.221 1.00 32.35 C ATOM 978 CD GLN A 59 9.158 8.363 -10.729 1.00 21.41 C ATOM 979 OE1 GLN A 59 10.237 8.429 -11.329 1.00 22.13 O ATOM 980 NE2 GLN A 59 8.011 8.318 -11.355 1.00 11.25 N ATOM 0 H GLN A 59 8.391 10.012 -7.251 1.00 42.43 H new ATOM 0 HA GLN A 59 10.349 8.067 -6.745 1.00 22.10 H new ATOM 0 HB2 GLN A 59 10.215 10.147 -8.942 1.00 65.52 H new ATOM 0 HB3 GLN A 59 11.197 8.696 -8.958 1.00 65.52 H new ATOM 0 HG2 GLN A 59 9.134 7.311 -8.872 1.00 32.35 H new ATOM 0 HG3 GLN A 59 8.163 8.769 -8.885 1.00 32.35 H new ATOM 0 HE21 GLN A 59 7.142 8.264 -10.824 1.00 11.25 H new ATOM 0 HE22 GLN A 59 7.985 8.337 -12.374 1.00 11.25 H new ATOM 989 N GLU A 60 11.271 11.222 -6.524 1.00 51.34 N ATOM 990 CA GLU A 60 12.259 12.136 -5.969 1.00 23.21 C ATOM 991 C GLU A 60 12.448 11.823 -4.484 1.00 62.24 C ATOM 992 O GLU A 60 13.560 11.692 -3.996 1.00 61.11 O ATOM 993 CB GLU A 60 11.771 13.572 -6.129 1.00 13.22 C ATOM 994 CG GLU A 60 11.513 13.985 -7.567 1.00 53.44 C ATOM 995 CD GLU A 60 12.759 13.981 -8.405 1.00 65.10 C ATOM 996 OE1 GLU A 60 13.516 14.962 -8.348 1.00 73.45 O ATOM 997 OE2 GLU A 60 12.993 13.015 -9.148 1.00 2.55 O ATOM 0 H GLU A 60 10.438 11.685 -6.887 1.00 51.34 H new ATOM 0 HA GLU A 60 13.207 12.018 -6.494 1.00 23.21 H new ATOM 0 HB2 GLU A 60 10.852 13.698 -5.556 1.00 13.22 H new ATOM 0 HB3 GLU A 60 12.511 14.246 -5.696 1.00 13.22 H new ATOM 0 HG2 GLU A 60 10.781 13.309 -8.009 1.00 53.44 H new ATOM 0 HG3 GLU A 60 11.074 14.983 -7.581 1.00 53.44 H new ATOM 1004 N TYR A 61 11.332 11.687 -3.792 1.00 23.34 N ATOM 1005 CA TYR A 61 11.295 11.337 -2.376 1.00 23.14 C ATOM 1006 C TYR A 61 12.033 10.025 -2.100 1.00 70.15 C ATOM 1007 O TYR A 61 12.762 9.915 -1.126 1.00 34.31 O ATOM 1008 CB TYR A 61 9.822 11.269 -1.903 1.00 35.32 C ATOM 1009 CG TYR A 61 9.595 10.645 -0.545 1.00 32.05 C ATOM 1010 CD1 TYR A 61 10.031 11.260 0.619 1.00 34.31 C ATOM 1011 CD2 TYR A 61 8.926 9.432 -0.438 1.00 1.53 C ATOM 1012 CE1 TYR A 61 9.813 10.676 1.851 1.00 2.42 C ATOM 1013 CE2 TYR A 61 8.704 8.843 0.781 1.00 61.35 C ATOM 1014 CZ TYR A 61 9.150 9.468 1.928 1.00 40.23 C ATOM 1015 OH TYR A 61 8.929 8.883 3.155 1.00 3.31 O ATOM 0 H TYR A 61 10.407 11.818 -4.202 1.00 23.34 H new ATOM 0 HA TYR A 61 11.814 12.110 -1.809 1.00 23.14 H new ATOM 0 HB2 TYR A 61 9.418 12.281 -1.889 1.00 35.32 H new ATOM 0 HB3 TYR A 61 9.249 10.707 -2.640 1.00 35.32 H new ATOM 0 HD1 TYR A 61 10.547 12.207 0.561 1.00 34.31 H new ATOM 0 HD2 TYR A 61 8.573 8.942 -1.334 1.00 1.53 H new ATOM 0 HE1 TYR A 61 10.160 11.162 2.751 1.00 2.42 H new ATOM 0 HE2 TYR A 61 8.185 7.898 0.843 1.00 61.35 H new ATOM 0 HH TYR A 61 8.103 8.356 3.122 1.00 3.31 H new ATOM 1025 N LEU A 62 11.850 9.060 -2.970 1.00 24.03 N ATOM 1026 CA LEU A 62 12.487 7.761 -2.838 1.00 22.14 C ATOM 1027 C LEU A 62 13.991 7.861 -2.908 1.00 71.41 C ATOM 1028 O LEU A 62 14.688 7.396 -2.004 1.00 31.12 O ATOM 1029 CB LEU A 62 11.965 6.793 -3.891 1.00 30.13 C ATOM 1030 CG LEU A 62 10.488 6.452 -3.793 1.00 43.30 C ATOM 1031 CD1 LEU A 62 10.073 5.527 -4.916 1.00 14.51 C ATOM 1032 CD2 LEU A 62 10.187 5.833 -2.443 1.00 43.43 C ATOM 0 H LEU A 62 11.254 9.149 -3.793 1.00 24.03 H new ATOM 0 HA LEU A 62 12.231 7.375 -1.852 1.00 22.14 H new ATOM 0 HB2 LEU A 62 12.157 7.218 -4.876 1.00 30.13 H new ATOM 0 HB3 LEU A 62 12.538 5.868 -3.825 1.00 30.13 H new ATOM 0 HG LEU A 62 9.911 7.371 -3.890 1.00 43.30 H new ATOM 0 HD11 LEU A 62 9.011 5.297 -4.825 1.00 14.51 H new ATOM 0 HD12 LEU A 62 10.258 6.012 -5.874 1.00 14.51 H new ATOM 0 HD13 LEU A 62 10.650 4.604 -4.859 1.00 14.51 H new ATOM 0 HD21 LEU A 62 9.126 5.592 -2.382 1.00 43.43 H new ATOM 0 HD22 LEU A 62 10.774 4.922 -2.321 1.00 43.43 H new ATOM 0 HD23 LEU A 62 10.445 6.539 -1.653 1.00 43.43 H new ATOM 1044 N GLU A 63 14.493 8.482 -3.951 1.00 24.00 N ATOM 1045 CA GLU A 63 15.939 8.630 -4.109 1.00 54.44 C ATOM 1046 C GLU A 63 16.558 9.475 -2.994 1.00 53.53 C ATOM 1047 O GLU A 63 17.708 9.283 -2.633 1.00 75.11 O ATOM 1048 CB GLU A 63 16.330 9.119 -5.514 1.00 71.44 C ATOM 1049 CG GLU A 63 15.646 10.395 -5.972 1.00 21.11 C ATOM 1050 CD GLU A 63 16.059 10.792 -7.364 1.00 52.32 C ATOM 1051 OE1 GLU A 63 15.759 10.045 -8.322 1.00 35.51 O ATOM 1052 OE2 GLU A 63 16.684 11.864 -7.536 1.00 75.32 O ATOM 0 H GLU A 63 13.936 8.892 -4.701 1.00 24.00 H new ATOM 0 HA GLU A 63 16.367 7.633 -4.010 1.00 54.44 H new ATOM 0 HB2 GLU A 63 17.408 9.276 -5.539 1.00 71.44 H new ATOM 0 HB3 GLU A 63 16.106 8.329 -6.231 1.00 71.44 H new ATOM 0 HG2 GLU A 63 14.565 10.257 -5.941 1.00 21.11 H new ATOM 0 HG3 GLU A 63 15.885 11.202 -5.280 1.00 21.11 H new ATOM 1059 N LYS A 64 15.788 10.381 -2.428 1.00 2.14 N ATOM 1060 CA LYS A 64 16.279 11.173 -1.318 1.00 72.31 C ATOM 1061 C LYS A 64 16.246 10.373 -0.015 1.00 65.11 C ATOM 1062 O LYS A 64 17.249 10.277 0.690 1.00 11.14 O ATOM 1063 CB LYS A 64 15.474 12.465 -1.146 1.00 44.33 C ATOM 1064 CG LYS A 64 15.501 13.395 -2.348 1.00 3.32 C ATOM 1065 CD LYS A 64 16.908 13.826 -2.713 1.00 3.31 C ATOM 1066 CE LYS A 64 16.879 14.779 -3.885 1.00 24.24 C ATOM 1067 NZ LYS A 64 18.226 15.227 -4.272 1.00 32.52 N ATOM 0 H LYS A 64 14.831 10.586 -2.713 1.00 2.14 H new ATOM 0 HA LYS A 64 17.311 11.437 -1.549 1.00 72.31 H new ATOM 0 HB2 LYS A 64 14.438 12.205 -0.928 1.00 44.33 H new ATOM 0 HB3 LYS A 64 15.857 13.003 -0.279 1.00 44.33 H new ATOM 0 HG2 LYS A 64 15.044 12.894 -3.202 1.00 3.32 H new ATOM 0 HG3 LYS A 64 14.897 14.277 -2.135 1.00 3.32 H new ATOM 0 HD2 LYS A 64 17.382 14.306 -1.857 1.00 3.31 H new ATOM 0 HD3 LYS A 64 17.510 12.952 -2.961 1.00 3.31 H new ATOM 0 HE2 LYS A 64 16.402 14.292 -4.735 1.00 24.24 H new ATOM 0 HE3 LYS A 64 16.269 15.646 -3.631 1.00 24.24 H new ATOM 0 HZ1 LYS A 64 18.156 15.879 -5.079 1.00 32.52 H new ATOM 0 HZ2 LYS A 64 18.673 15.716 -3.470 1.00 32.52 H new ATOM 0 HZ3 LYS A 64 18.802 14.404 -4.540 1.00 32.52 H new ATOM 1081 N ALA A 65 15.101 9.779 0.285 1.00 40.35 N ATOM 1082 CA ALA A 65 14.904 9.089 1.552 1.00 54.31 C ATOM 1083 C ALA A 65 15.662 7.774 1.641 1.00 43.35 C ATOM 1084 O ALA A 65 16.196 7.439 2.691 1.00 13.43 O ATOM 1085 CB ALA A 65 13.420 8.876 1.828 1.00 60.52 C ATOM 0 H ALA A 65 14.291 9.761 -0.334 1.00 40.35 H new ATOM 0 HA ALA A 65 15.319 9.738 2.323 1.00 54.31 H new ATOM 0 HB1 ALA A 65 13.297 8.359 2.780 1.00 60.52 H new ATOM 0 HB2 ALA A 65 12.916 9.841 1.872 1.00 60.52 H new ATOM 0 HB3 ALA A 65 12.984 8.275 1.030 1.00 60.52 H new ATOM 1091 N LEU A 66 15.707 7.028 0.561 1.00 22.13 N ATOM 1092 CA LEU A 66 16.381 5.745 0.572 1.00 64.45 C ATOM 1093 C LEU A 66 17.885 5.844 0.390 1.00 24.55 C ATOM 1094 O LEU A 66 18.622 4.999 0.887 1.00 61.45 O ATOM 1095 CB LEU A 66 15.772 4.769 -0.432 1.00 33.53 C ATOM 1096 CG LEU A 66 14.388 4.180 -0.079 1.00 72.34 C ATOM 1097 CD1 LEU A 66 14.416 3.430 1.247 1.00 11.34 C ATOM 1098 CD2 LEU A 66 13.270 5.213 -0.106 1.00 2.31 C ATOM 0 H LEU A 66 15.288 7.283 -0.333 1.00 22.13 H new ATOM 0 HA LEU A 66 16.219 5.348 1.574 1.00 64.45 H new ATOM 0 HB2 LEU A 66 15.690 5.277 -1.393 1.00 33.53 H new ATOM 0 HB3 LEU A 66 16.469 3.942 -0.567 1.00 33.53 H new ATOM 0 HG LEU A 66 14.161 3.463 -0.868 1.00 72.34 H new ATOM 0 HD11 LEU A 66 13.424 3.031 1.460 1.00 11.34 H new ATOM 0 HD12 LEU A 66 15.132 2.610 1.186 1.00 11.34 H new ATOM 0 HD13 LEU A 66 14.712 4.112 2.044 1.00 11.34 H new ATOM 0 HD21 LEU A 66 12.325 4.734 0.151 1.00 2.31 H new ATOM 0 HD22 LEU A 66 13.485 6.001 0.616 1.00 2.31 H new ATOM 0 HD23 LEU A 66 13.198 5.645 -1.104 1.00 2.31 H new ATOM 1110 N ASN A 67 18.353 6.868 -0.295 1.00 70.11 N ATOM 1111 CA ASN A 67 19.794 6.993 -0.525 1.00 43.35 C ATOM 1112 C ASN A 67 20.481 7.819 0.556 1.00 12.21 C ATOM 1113 O ASN A 67 21.600 7.500 0.966 1.00 42.11 O ATOM 1114 CB ASN A 67 20.110 7.538 -1.931 1.00 71.51 C ATOM 1115 CG ASN A 67 21.608 7.676 -2.201 1.00 74.54 C ATOM 1116 OD1 ASN A 67 22.260 6.731 -2.647 1.00 21.13 O ATOM 1117 ND2 ASN A 67 22.152 8.844 -1.977 1.00 11.32 N ATOM 0 H ASN A 67 17.782 7.612 -0.696 1.00 70.11 H new ATOM 0 HA ASN A 67 20.202 5.984 -0.467 1.00 43.35 H new ATOM 0 HB2 ASN A 67 19.673 6.875 -2.677 1.00 71.51 H new ATOM 0 HB3 ASN A 67 19.635 8.511 -2.052 1.00 71.51 H new ATOM 0 HD21 ASN A 67 23.142 8.991 -2.172 1.00 11.32 H new ATOM 0 HD22 ASN A 67 21.586 9.608 -1.607 1.00 11.32 H new ATOM 1124 N LYS A 68 19.826 8.860 1.024 1.00 62.41 N ATOM 1125 CA LYS A 68 20.416 9.715 2.036 1.00 31.24 C ATOM 1126 C LYS A 68 19.804 9.403 3.396 1.00 12.04 C ATOM 1127 O LYS A 68 18.893 10.120 3.827 1.00 40.50 O ATOM 1128 CB LYS A 68 20.200 11.202 1.681 1.00 10.12 C ATOM 1129 CG LYS A 68 20.797 11.630 0.350 1.00 41.40 C ATOM 1130 CD LYS A 68 22.314 11.565 0.373 1.00 63.44 C ATOM 1131 CE LYS A 68 22.921 12.603 1.310 1.00 52.53 C ATOM 1132 NZ LYS A 68 24.397 12.524 1.329 1.00 71.02 N ATOM 1133 OXT LYS A 68 20.217 8.415 4.030 1.00 40.50 O ATOM 0 H LYS A 68 18.891 9.135 0.723 1.00 62.41 H new ATOM 0 HA LYS A 68 21.488 9.524 2.076 1.00 31.24 H new ATOM 0 HB2 LYS A 68 19.129 11.406 1.666 1.00 10.12 H new ATOM 0 HB3 LYS A 68 20.631 11.817 2.471 1.00 10.12 H new ATOM 0 HG2 LYS A 68 20.416 10.987 -0.444 1.00 41.40 H new ATOM 0 HG3 LYS A 68 20.479 12.646 0.118 1.00 41.40 H new ATOM 0 HD2 LYS A 68 22.629 10.569 0.684 1.00 63.44 H new ATOM 0 HD3 LYS A 68 22.698 11.720 -0.635 1.00 63.44 H new ATOM 0 HE2 LYS A 68 22.614 13.601 0.996 1.00 52.53 H new ATOM 0 HE3 LYS A 68 22.535 12.453 2.318 1.00 52.53 H new ATOM 0 HZ1 LYS A 68 24.775 13.245 1.977 1.00 71.02 H new ATOM 0 HZ2 LYS A 68 24.690 11.580 1.652 1.00 71.02 H new ATOM 0 HZ3 LYS A 68 24.766 12.692 0.371 1.00 71.02 H new TER 1147 LYS A 68