USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 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 -130:sc= -0.18 USER MOD Set 1.2: A 37 GLN : amide:sc= 0.738 K(o=0.56,f=-8.2!) USER MOD Single : A 1 LYS N :NH3+ -166:sc= -0.0519 (180deg=-0.332) 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= 0.0519 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=-0.0037) USER MOD Single : A 22 ASN : amide:sc= -1.85! C(o=-1.9!,f=-3.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.671 X(o=-0.67,f=-0.39) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.1) USER MOD Single : A 33 ASN : amide:sc=-0.00151 X(o=-0.0015,f=-0.0025) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 45 ASN :FLIP amide:sc= -4.14! C(o=-5.2!,f=-4.1!) USER MOD Single : A 46 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.082) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00251) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.39) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 133:sc= 0.182 (180deg=-0.152) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= -0.0163 (180deg=-0.186) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 15.750 -20.601 15.092 1.00 41.43 N ATOM 2 CA LYS A 1 16.129 -20.966 13.732 1.00 54.31 C ATOM 3 C LYS A 1 16.178 -19.700 12.900 1.00 21.31 C ATOM 4 O LYS A 1 15.277 -18.864 13.017 1.00 31.44 O ATOM 5 CB LYS A 1 15.084 -21.933 13.138 1.00 54.45 C ATOM 6 CG LYS A 1 14.885 -23.199 13.962 1.00 51.22 C ATOM 7 CD LYS A 1 13.824 -24.132 13.377 1.00 50.12 C ATOM 8 CE LYS A 1 14.220 -24.648 12.007 1.00 31.11 C ATOM 9 NZ LYS A 1 13.262 -25.635 11.491 1.00 73.33 N ATOM 0 H1 LYS A 1 15.937 -21.400 15.731 1.00 41.43 H new ATOM 0 H2 LYS A 1 16.305 -19.776 15.397 1.00 41.43 H new ATOM 0 H3 LYS A 1 14.737 -20.366 15.119 1.00 41.43 H new ATOM 0 HA LYS A 1 17.101 -21.459 13.733 1.00 54.31 H new ATOM 0 HB2 LYS A 1 14.130 -21.414 13.050 1.00 54.45 H new ATOM 0 HB3 LYS A 1 15.390 -22.211 12.129 1.00 54.45 H new ATOM 0 HG2 LYS A 1 15.832 -23.733 14.031 1.00 51.22 H new ATOM 0 HG3 LYS A 1 14.599 -22.924 14.977 1.00 51.22 H new ATOM 0 HD2 LYS A 1 13.669 -24.974 14.052 1.00 50.12 H new ATOM 0 HD3 LYS A 1 12.874 -23.602 13.305 1.00 50.12 H new ATOM 0 HE2 LYS A 1 14.289 -23.812 11.311 1.00 31.11 H new ATOM 0 HE3 LYS A 1 15.211 -25.099 12.062 1.00 31.11 H new ATOM 0 HZ1 LYS A 1 13.571 -25.961 10.553 1.00 73.33 H new ATOM 0 HZ2 LYS A 1 13.214 -26.445 12.141 1.00 73.33 H new ATOM 0 HZ3 LYS A 1 12.321 -25.198 11.413 1.00 73.33 H new ATOM 23 N PRO A 2 17.227 -19.503 12.065 1.00 60.21 N ATOM 24 CA PRO A 2 17.334 -18.326 11.212 1.00 12.34 C ATOM 25 C PRO A 2 16.317 -18.356 10.080 1.00 14.43 C ATOM 26 O PRO A 2 16.599 -18.823 8.972 1.00 32.35 O ATOM 27 CB PRO A 2 18.770 -18.365 10.660 1.00 72.03 C ATOM 28 CG PRO A 2 19.459 -19.437 11.436 1.00 14.32 C ATOM 29 CD PRO A 2 18.386 -20.381 11.904 1.00 11.42 C ATOM 0 HA PRO A 2 17.128 -17.411 11.767 1.00 12.34 H new ATOM 0 HB2 PRO A 2 18.776 -18.586 9.593 1.00 72.03 H new ATOM 0 HB3 PRO A 2 19.268 -17.404 10.789 1.00 72.03 H new ATOM 0 HG2 PRO A 2 20.189 -19.957 10.816 1.00 14.32 H new ATOM 0 HG3 PRO A 2 20.002 -19.016 12.282 1.00 14.32 H new ATOM 0 HD2 PRO A 2 18.197 -21.171 11.177 1.00 11.42 H new ATOM 0 HD3 PRO A 2 18.657 -20.869 12.840 1.00 11.42 H new ATOM 37 N VAL A 3 15.117 -17.957 10.420 1.00 62.32 N ATOM 38 CA VAL A 3 13.992 -17.847 9.505 1.00 4.21 C ATOM 39 C VAL A 3 13.217 -16.595 9.884 1.00 52.23 C ATOM 40 O VAL A 3 12.070 -16.392 9.486 1.00 74.01 O ATOM 41 CB VAL A 3 13.042 -19.088 9.607 1.00 1.20 C ATOM 42 CG1 VAL A 3 13.751 -20.368 9.177 1.00 55.22 C ATOM 43 CG2 VAL A 3 12.493 -19.242 11.021 1.00 63.35 C ATOM 0 H VAL A 3 14.881 -17.688 11.375 1.00 62.32 H new ATOM 0 HA VAL A 3 14.364 -17.799 8.481 1.00 4.21 H new ATOM 0 HB VAL A 3 12.208 -18.915 8.927 1.00 1.20 H new ATOM 0 HG11 VAL A 3 13.064 -21.210 9.260 1.00 55.22 H new ATOM 0 HG12 VAL A 3 14.083 -20.271 8.143 1.00 55.22 H new ATOM 0 HG13 VAL A 3 14.614 -20.540 9.820 1.00 55.22 H new ATOM 0 HG21 VAL A 3 11.837 -20.111 11.064 1.00 63.35 H new ATOM 0 HG22 VAL A 3 13.319 -19.376 11.719 1.00 63.35 H new ATOM 0 HG23 VAL A 3 11.930 -18.349 11.292 1.00 63.35 H new ATOM 53 N SER A 4 13.895 -15.737 10.620 1.00 25.52 N ATOM 54 CA SER A 4 13.317 -14.534 11.172 1.00 62.30 C ATOM 55 C SER A 4 13.432 -13.373 10.184 1.00 24.53 C ATOM 56 O SER A 4 13.086 -12.232 10.497 1.00 33.45 O ATOM 57 CB SER A 4 14.046 -14.192 12.469 1.00 61.44 C ATOM 58 OG SER A 4 14.000 -15.290 13.384 1.00 71.20 O ATOM 0 H SER A 4 14.880 -15.861 10.854 1.00 25.52 H new ATOM 0 HA SER A 4 12.258 -14.701 11.371 1.00 62.30 H new ATOM 0 HB2 SER A 4 15.083 -13.937 12.252 1.00 61.44 H new ATOM 0 HB3 SER A 4 13.591 -13.313 12.926 1.00 61.44 H new ATOM 0 HG SER A 4 14.474 -15.050 14.207 1.00 71.20 H new ATOM 64 N LEU A 5 13.925 -13.674 9.005 1.00 14.03 N ATOM 65 CA LEU A 5 14.082 -12.693 7.971 1.00 62.25 C ATOM 66 C LEU A 5 12.723 -12.327 7.405 1.00 21.04 C ATOM 67 O LEU A 5 12.030 -13.166 6.822 1.00 12.02 O ATOM 68 CB LEU A 5 15.003 -13.223 6.859 1.00 50.03 C ATOM 69 CG LEU A 5 15.295 -12.264 5.691 1.00 54.34 C ATOM 70 CD1 LEU A 5 15.984 -10.997 6.180 1.00 54.13 C ATOM 71 CD2 LEU A 5 16.144 -12.953 4.643 1.00 54.34 C ATOM 0 H LEU A 5 14.228 -14.611 8.741 1.00 14.03 H new ATOM 0 HA LEU A 5 14.543 -11.801 8.396 1.00 62.25 H new ATOM 0 HB2 LEU A 5 15.953 -13.509 7.311 1.00 50.03 H new ATOM 0 HB3 LEU A 5 14.558 -14.131 6.452 1.00 50.03 H new ATOM 0 HG LEU A 5 14.343 -11.980 5.242 1.00 54.34 H new ATOM 0 HD11 LEU A 5 16.178 -10.338 5.333 1.00 54.13 H new ATOM 0 HD12 LEU A 5 15.341 -10.487 6.897 1.00 54.13 H new ATOM 0 HD13 LEU A 5 16.927 -11.258 6.660 1.00 54.13 H new ATOM 0 HD21 LEU A 5 16.342 -12.262 3.823 1.00 54.34 H new ATOM 0 HD22 LEU A 5 17.088 -13.268 5.089 1.00 54.34 H new ATOM 0 HD23 LEU A 5 15.614 -13.826 4.262 1.00 54.34 H new ATOM 83 N SER A 6 12.352 -11.088 7.571 1.00 13.42 N ATOM 84 CA SER A 6 11.092 -10.557 7.093 1.00 45.42 C ATOM 85 C SER A 6 11.172 -10.237 5.580 1.00 5.34 C ATOM 86 O SER A 6 10.599 -9.250 5.104 1.00 75.11 O ATOM 87 CB SER A 6 10.781 -9.310 7.922 1.00 23.20 C ATOM 88 OG SER A 6 11.906 -8.436 7.962 1.00 4.41 O ATOM 0 H SER A 6 12.927 -10.397 8.053 1.00 13.42 H new ATOM 0 HA SER A 6 10.292 -11.288 7.210 1.00 45.42 H new ATOM 0 HB2 SER A 6 9.924 -8.788 7.495 1.00 23.20 H new ATOM 0 HB3 SER A 6 10.505 -9.601 8.935 1.00 23.20 H new ATOM 0 HG SER A 6 11.686 -7.644 8.495 1.00 4.41 H new ATOM 94 N TYR A 7 11.838 -11.136 4.846 1.00 35.13 N ATOM 95 CA TYR A 7 12.084 -11.028 3.422 1.00 5.53 C ATOM 96 C TYR A 7 13.030 -9.889 3.084 1.00 42.40 C ATOM 97 O TYR A 7 13.514 -9.166 3.967 1.00 31.13 O ATOM 98 CB TYR A 7 10.794 -10.934 2.594 1.00 72.41 C ATOM 99 CG TYR A 7 9.902 -12.152 2.667 1.00 34.42 C ATOM 100 CD1 TYR A 7 10.318 -13.371 2.157 1.00 24.50 C ATOM 101 CD2 TYR A 7 8.637 -12.077 3.217 1.00 33.55 C ATOM 102 CE1 TYR A 7 9.501 -14.476 2.198 1.00 22.11 C ATOM 103 CE2 TYR A 7 7.815 -13.178 3.264 1.00 11.34 C ATOM 104 CZ TYR A 7 8.252 -14.375 2.754 1.00 1.14 C ATOM 105 OH TYR A 7 7.433 -15.472 2.787 1.00 20.14 O ATOM 0 H TYR A 7 12.230 -11.986 5.252 1.00 35.13 H new ATOM 0 HA TYR A 7 12.574 -11.961 3.142 1.00 5.53 H new ATOM 0 HB2 TYR A 7 10.227 -10.065 2.929 1.00 72.41 H new ATOM 0 HB3 TYR A 7 11.060 -10.758 1.552 1.00 72.41 H new ATOM 0 HD1 TYR A 7 11.302 -13.455 1.719 1.00 24.50 H new ATOM 0 HD2 TYR A 7 8.288 -11.137 3.617 1.00 33.55 H new ATOM 0 HE1 TYR A 7 9.841 -15.418 1.794 1.00 22.11 H new ATOM 0 HE2 TYR A 7 6.830 -13.101 3.700 1.00 11.34 H new ATOM 0 HH TYR A 7 6.584 -15.234 3.215 1.00 20.14 H new ATOM 115 N ARG A 8 13.306 -9.753 1.809 1.00 60.25 N ATOM 116 CA ARG A 8 14.189 -8.723 1.298 1.00 31.22 C ATOM 117 C ARG A 8 13.545 -7.352 1.390 1.00 72.01 C ATOM 118 O ARG A 8 14.222 -6.333 1.576 1.00 53.22 O ATOM 119 CB ARG A 8 14.573 -9.038 -0.150 1.00 11.13 C ATOM 120 CG ARG A 8 13.369 -9.137 -1.076 1.00 35.21 C ATOM 121 CD ARG A 8 13.751 -9.469 -2.497 1.00 33.53 C ATOM 122 NE ARG A 8 12.559 -9.626 -3.343 1.00 11.44 N ATOM 123 CZ ARG A 8 12.564 -10.037 -4.606 1.00 74.20 C ATOM 124 NH1 ARG A 8 13.711 -10.298 -5.220 1.00 32.35 N ATOM 125 NH2 ARG A 8 11.417 -10.179 -5.256 1.00 41.15 N ATOM 0 H ARG A 8 12.921 -10.360 1.086 1.00 60.25 H new ATOM 0 HA ARG A 8 15.090 -8.708 1.911 1.00 31.22 H new ATOM 0 HB2 ARG A 8 15.245 -8.263 -0.519 1.00 11.13 H new ATOM 0 HB3 ARG A 8 15.124 -9.978 -0.178 1.00 11.13 H new ATOM 0 HG2 ARG A 8 12.689 -9.901 -0.700 1.00 35.21 H new ATOM 0 HG3 ARG A 8 12.827 -8.192 -1.062 1.00 35.21 H new ATOM 0 HD2 ARG A 8 14.385 -8.680 -2.900 1.00 33.53 H new ATOM 0 HD3 ARG A 8 14.336 -10.388 -2.514 1.00 33.53 H new ATOM 0 HE ARG A 8 11.655 -9.401 -2.927 1.00 11.44 H new ATOM 0 HH11 ARG A 8 14.594 -10.183 -4.722 1.00 32.35 H new ATOM 0 HH12 ARG A 8 13.710 -10.613 -6.190 1.00 32.35 H new ATOM 0 HH21 ARG A 8 10.536 -9.973 -4.786 1.00 41.15 H new ATOM 0 HH22 ARG A 8 11.416 -10.494 -6.226 1.00 41.15 H new ATOM 139 N CYS A 9 12.266 -7.341 1.299 1.00 30.41 N ATOM 140 CA CYS A 9 11.508 -6.123 1.278 1.00 5.41 C ATOM 141 C CYS A 9 10.335 -6.232 2.242 1.00 4.25 C ATOM 142 O CYS A 9 9.793 -7.334 2.439 1.00 75.40 O ATOM 143 CB CYS A 9 10.973 -5.868 -0.140 1.00 74.14 C ATOM 144 SG CYS A 9 12.239 -5.875 -1.459 1.00 72.42 S ATOM 0 H CYS A 9 11.698 -8.186 1.235 1.00 30.41 H new ATOM 0 HA CYS A 9 12.154 -5.298 1.578 1.00 5.41 H new ATOM 0 HB2 CYS A 9 10.225 -6.627 -0.371 1.00 74.14 H new ATOM 0 HB3 CYS A 9 10.464 -4.904 -0.152 1.00 74.14 H new ATOM 149 N PRO A 10 9.951 -5.102 2.882 1.00 44.50 N ATOM 150 CA PRO A 10 8.773 -5.024 3.766 1.00 0.24 C ATOM 151 C PRO A 10 7.509 -5.617 3.113 1.00 74.53 C ATOM 152 O PRO A 10 6.706 -6.258 3.778 1.00 74.33 O ATOM 153 CB PRO A 10 8.606 -3.525 3.988 1.00 61.13 C ATOM 154 CG PRO A 10 9.990 -2.989 3.884 1.00 52.14 C ATOM 155 CD PRO A 10 10.671 -3.811 2.827 1.00 61.35 C ATOM 0 HA PRO A 10 8.910 -5.595 4.684 1.00 0.24 H new ATOM 0 HB2 PRO A 10 7.949 -3.082 3.240 1.00 61.13 H new ATOM 0 HB3 PRO A 10 8.168 -3.312 4.963 1.00 61.13 H new ATOM 0 HG2 PRO A 10 9.981 -1.933 3.612 1.00 52.14 H new ATOM 0 HG3 PRO A 10 10.512 -3.068 4.837 1.00 52.14 H new ATOM 0 HD2 PRO A 10 10.591 -3.348 1.844 1.00 61.35 H new ATOM 0 HD3 PRO A 10 11.734 -3.934 3.036 1.00 61.35 H new ATOM 163 N CYS A 11 7.348 -5.403 1.827 1.00 13.51 N ATOM 164 CA CYS A 11 6.257 -6.015 1.110 1.00 60.02 C ATOM 165 C CYS A 11 6.800 -6.947 0.057 1.00 60.50 C ATOM 166 O CYS A 11 7.845 -6.681 -0.552 1.00 51.42 O ATOM 167 CB CYS A 11 5.368 -4.963 0.420 1.00 1.22 C ATOM 168 SG CYS A 11 4.412 -3.883 1.531 1.00 14.52 S ATOM 0 H CYS A 11 7.956 -4.812 1.260 1.00 13.51 H new ATOM 0 HA CYS A 11 5.654 -6.561 1.835 1.00 60.02 H new ATOM 0 HB2 CYS A 11 6.000 -4.337 -0.209 1.00 1.22 H new ATOM 0 HB3 CYS A 11 4.672 -5.480 -0.241 1.00 1.22 H new ATOM 173 N ARG A 12 6.095 -8.021 -0.158 1.00 51.44 N ATOM 174 CA ARG A 12 6.431 -8.975 -1.187 1.00 42.50 C ATOM 175 C ARG A 12 5.302 -9.006 -2.196 1.00 52.33 C ATOM 176 O ARG A 12 5.514 -9.183 -3.397 1.00 63.11 O ATOM 177 CB ARG A 12 6.637 -10.370 -0.576 1.00 51.03 C ATOM 178 CG ARG A 12 7.030 -11.440 -1.577 1.00 44.24 C ATOM 179 CD ARG A 12 7.193 -12.797 -0.912 1.00 42.43 C ATOM 180 NE ARG A 12 7.586 -13.821 -1.881 1.00 62.52 N ATOM 181 CZ ARG A 12 7.792 -15.115 -1.614 1.00 34.52 C ATOM 182 NH1 ARG A 12 7.615 -15.599 -0.381 1.00 41.34 N ATOM 183 NH2 ARG A 12 8.167 -15.928 -2.591 1.00 23.44 N ATOM 0 H ARG A 12 5.263 -8.265 0.379 1.00 51.44 H new ATOM 0 HA ARG A 12 7.360 -8.681 -1.676 1.00 42.50 H new ATOM 0 HB2 ARG A 12 7.408 -10.307 0.192 1.00 51.03 H new ATOM 0 HB3 ARG A 12 5.716 -10.675 -0.079 1.00 51.03 H new ATOM 0 HG2 ARG A 12 6.271 -11.505 -2.357 1.00 44.24 H new ATOM 0 HG3 ARG A 12 7.964 -11.158 -2.064 1.00 44.24 H new ATOM 0 HD2 ARG A 12 7.944 -12.731 -0.125 1.00 42.43 H new ATOM 0 HD3 ARG A 12 6.256 -13.085 -0.435 1.00 42.43 H new ATOM 0 HE ARG A 12 7.714 -13.520 -2.847 1.00 62.52 H new ATOM 0 HH11 ARG A 12 7.319 -14.979 0.373 1.00 41.34 H new ATOM 0 HH12 ARG A 12 7.776 -16.589 -0.194 1.00 41.34 H new ATOM 0 HH21 ARG A 12 8.296 -15.565 -3.535 1.00 23.44 H new ATOM 0 HH22 ARG A 12 8.327 -16.917 -2.399 1.00 23.44 H new ATOM 197 N PHE A 13 4.107 -8.817 -1.699 1.00 4.22 N ATOM 198 CA PHE A 13 2.928 -8.807 -2.518 1.00 33.42 C ATOM 199 C PHE A 13 2.440 -7.380 -2.653 1.00 63.22 C ATOM 200 O PHE A 13 2.590 -6.584 -1.728 1.00 34.04 O ATOM 201 CB PHE A 13 1.811 -9.669 -1.871 1.00 51.12 C ATOM 202 CG PHE A 13 1.287 -9.120 -0.553 1.00 61.14 C ATOM 203 CD1 PHE A 13 1.965 -9.344 0.633 1.00 21.24 C ATOM 204 CD2 PHE A 13 0.121 -8.358 -0.516 1.00 60.45 C ATOM 205 CE1 PHE A 13 1.496 -8.829 1.825 1.00 14.02 C ATOM 206 CE2 PHE A 13 -0.349 -7.841 0.674 1.00 54.02 C ATOM 207 CZ PHE A 13 0.339 -8.076 1.844 1.00 51.45 C ATOM 0 H PHE A 13 3.926 -8.665 -0.707 1.00 4.22 H new ATOM 0 HA PHE A 13 3.169 -9.221 -3.497 1.00 33.42 H new ATOM 0 HB2 PHE A 13 0.981 -9.754 -2.572 1.00 51.12 H new ATOM 0 HB3 PHE A 13 2.194 -10.676 -1.706 1.00 51.12 H new ATOM 0 HD1 PHE A 13 2.873 -9.929 0.626 1.00 21.24 H new ATOM 0 HD2 PHE A 13 -0.422 -8.170 -1.430 1.00 60.45 H new ATOM 0 HE1 PHE A 13 2.034 -9.015 2.743 1.00 14.02 H new ATOM 0 HE2 PHE A 13 -1.255 -7.253 0.688 1.00 54.02 H new ATOM 0 HZ PHE A 13 -0.027 -7.671 2.776 1.00 51.45 H new ATOM 217 N PHE A 14 1.912 -7.051 -3.787 1.00 23.24 N ATOM 218 CA PHE A 14 1.276 -5.773 -3.995 1.00 30.31 C ATOM 219 C PHE A 14 -0.012 -6.034 -4.710 1.00 53.10 C ATOM 220 O PHE A 14 -0.099 -6.995 -5.503 1.00 63.44 O ATOM 221 CB PHE A 14 2.118 -4.869 -4.881 1.00 10.21 C ATOM 222 CG PHE A 14 3.514 -4.611 -4.437 1.00 71.32 C ATOM 223 CD1 PHE A 14 3.784 -3.708 -3.438 1.00 11.21 C ATOM 224 CD2 PHE A 14 4.566 -5.274 -5.039 1.00 1.12 C ATOM 225 CE1 PHE A 14 5.072 -3.471 -3.045 1.00 52.21 C ATOM 226 CE2 PHE A 14 5.854 -5.041 -4.657 1.00 62.45 C ATOM 227 CZ PHE A 14 6.115 -4.140 -3.658 1.00 35.41 C ATOM 0 H PHE A 14 1.905 -7.659 -4.606 1.00 23.24 H new ATOM 0 HA PHE A 14 1.135 -5.283 -3.031 1.00 30.31 H new ATOM 0 HB2 PHE A 14 2.154 -5.307 -5.878 1.00 10.21 H new ATOM 0 HB3 PHE A 14 1.607 -3.910 -4.972 1.00 10.21 H new ATOM 0 HD1 PHE A 14 2.972 -3.181 -2.959 1.00 11.21 H new ATOM 0 HD2 PHE A 14 4.365 -5.988 -5.824 1.00 1.12 H new ATOM 0 HE1 PHE A 14 5.274 -2.762 -2.256 1.00 52.21 H new ATOM 0 HE2 PHE A 14 6.666 -5.565 -5.140 1.00 62.45 H new ATOM 0 HZ PHE A 14 7.133 -3.953 -3.350 1.00 35.41 H new ATOM 237 N GLU A 15 -1.004 -5.254 -4.451 1.00 55.42 N ATOM 238 CA GLU A 15 -2.222 -5.384 -5.179 1.00 34.34 C ATOM 239 C GLU A 15 -2.207 -4.518 -6.408 1.00 33.52 C ATOM 240 O GLU A 15 -1.857 -3.331 -6.351 1.00 65.34 O ATOM 241 CB GLU A 15 -3.462 -5.160 -4.320 1.00 53.32 C ATOM 242 CG GLU A 15 -3.709 -6.283 -3.345 1.00 73.03 C ATOM 243 CD GLU A 15 -4.999 -6.149 -2.590 1.00 42.45 C ATOM 244 OE1 GLU A 15 -6.073 -6.226 -3.221 1.00 33.22 O ATOM 245 OE2 GLU A 15 -4.978 -6.025 -1.368 1.00 45.34 O ATOM 0 H GLU A 15 -0.998 -4.520 -3.742 1.00 55.42 H new ATOM 0 HA GLU A 15 -2.288 -6.422 -5.506 1.00 34.34 H new ATOM 0 HB2 GLU A 15 -3.353 -4.225 -3.770 1.00 53.32 H new ATOM 0 HB3 GLU A 15 -4.332 -5.050 -4.968 1.00 53.32 H new ATOM 0 HG2 GLU A 15 -3.711 -7.229 -3.886 1.00 73.03 H new ATOM 0 HG3 GLU A 15 -2.884 -6.324 -2.634 1.00 73.03 H new ATOM 252 N SER A 16 -2.548 -5.118 -7.520 1.00 11.44 N ATOM 253 CA SER A 16 -2.558 -4.444 -8.786 1.00 64.12 C ATOM 254 C SER A 16 -3.999 -4.125 -9.195 1.00 30.42 C ATOM 255 O SER A 16 -4.267 -3.705 -10.314 1.00 40.22 O ATOM 256 CB SER A 16 -1.869 -5.323 -9.826 1.00 74.51 C ATOM 257 OG SER A 16 -0.551 -5.662 -9.392 1.00 3.12 O ATOM 0 H SER A 16 -2.829 -6.097 -7.569 1.00 11.44 H new ATOM 0 HA SER A 16 -2.015 -3.502 -8.712 1.00 64.12 H new ATOM 0 HB2 SER A 16 -2.451 -6.230 -9.988 1.00 74.51 H new ATOM 0 HB3 SER A 16 -1.822 -4.800 -10.781 1.00 74.51 H new ATOM 0 HG SER A 16 -0.120 -6.227 -10.066 1.00 3.12 H new ATOM 263 N HIS A 17 -4.917 -4.355 -8.283 1.00 5.32 N ATOM 264 CA HIS A 17 -6.314 -4.005 -8.468 1.00 24.11 C ATOM 265 C HIS A 17 -6.822 -3.426 -7.176 1.00 13.00 C ATOM 266 O HIS A 17 -7.255 -4.152 -6.292 1.00 24.42 O ATOM 267 CB HIS A 17 -7.191 -5.216 -8.890 1.00 71.24 C ATOM 268 CG HIS A 17 -6.810 -5.852 -10.194 1.00 3.35 C ATOM 269 ND1 HIS A 17 -7.455 -5.591 -11.379 1.00 10.31 N ATOM 270 CD2 HIS A 17 -5.837 -6.748 -10.492 1.00 63.11 C ATOM 271 CE1 HIS A 17 -6.900 -6.289 -12.342 1.00 22.44 C ATOM 272 NE2 HIS A 17 -5.911 -7.002 -11.833 1.00 34.11 N ATOM 0 H HIS A 17 -4.717 -4.793 -7.384 1.00 5.32 H new ATOM 0 HA HIS A 17 -6.382 -3.282 -9.281 1.00 24.11 H new ATOM 0 HB2 HIS A 17 -7.141 -5.972 -8.106 1.00 71.24 H new ATOM 0 HB3 HIS A 17 -8.229 -4.889 -8.952 1.00 71.24 H new ATOM 0 HD2 HIS A 17 -5.133 -7.181 -9.797 1.00 63.11 H new ATOM 0 HE1 HIS A 17 -7.202 -6.282 -13.379 1.00 22.44 H new ATOM 0 HE2 HIS A 17 -5.304 -7.636 -12.353 1.00 34.11 H new ATOM 281 N VAL A 18 -6.695 -2.130 -7.036 1.00 53.20 N ATOM 282 CA VAL A 18 -7.084 -1.458 -5.809 1.00 23.33 C ATOM 283 C VAL A 18 -7.956 -0.272 -6.163 1.00 41.20 C ATOM 284 O VAL A 18 -7.742 0.360 -7.200 1.00 40.43 O ATOM 285 CB VAL A 18 -5.840 -0.960 -5.007 1.00 31.23 C ATOM 286 CG1 VAL A 18 -6.256 -0.356 -3.663 1.00 5.35 C ATOM 287 CG2 VAL A 18 -4.831 -2.082 -4.790 1.00 73.54 C ATOM 0 H VAL A 18 -6.324 -1.512 -7.757 1.00 53.20 H new ATOM 0 HA VAL A 18 -7.626 -2.167 -5.182 1.00 23.33 H new ATOM 0 HB VAL A 18 -5.362 -0.183 -5.603 1.00 31.23 H new ATOM 0 HG11 VAL A 18 -5.370 -0.018 -3.126 1.00 5.35 H new ATOM 0 HG12 VAL A 18 -6.921 0.490 -3.835 1.00 5.35 H new ATOM 0 HG13 VAL A 18 -6.774 -1.110 -3.070 1.00 5.35 H new ATOM 0 HG21 VAL A 18 -3.978 -1.701 -4.229 1.00 73.54 H new ATOM 0 HG22 VAL A 18 -5.301 -2.891 -4.231 1.00 73.54 H new ATOM 0 HG23 VAL A 18 -4.492 -2.458 -5.755 1.00 73.54 H new ATOM 297 N ALA A 19 -8.918 0.036 -5.330 1.00 44.14 N ATOM 298 CA ALA A 19 -9.814 1.120 -5.606 1.00 42.13 C ATOM 299 C ALA A 19 -9.444 2.360 -4.817 1.00 22.12 C ATOM 300 O ALA A 19 -9.181 2.292 -3.608 1.00 15.22 O ATOM 301 CB ALA A 19 -11.244 0.718 -5.291 1.00 11.53 C ATOM 0 H ALA A 19 -9.098 -0.453 -4.453 1.00 44.14 H new ATOM 0 HA ALA A 19 -9.730 1.354 -6.667 1.00 42.13 H new ATOM 0 HB1 ALA A 19 -11.912 1.552 -5.506 1.00 11.53 H new ATOM 0 HB2 ALA A 19 -11.524 -0.139 -5.904 1.00 11.53 H new ATOM 0 HB3 ALA A 19 -11.323 0.452 -4.237 1.00 11.53 H new ATOM 307 N ARG A 20 -9.444 3.494 -5.497 1.00 4.33 N ATOM 308 CA ARG A 20 -9.219 4.798 -4.874 1.00 12.34 C ATOM 309 C ARG A 20 -10.367 5.087 -3.913 1.00 53.11 C ATOM 310 O ARG A 20 -10.221 5.802 -2.921 1.00 12.11 O ATOM 311 CB ARG A 20 -9.127 5.889 -5.972 1.00 45.01 C ATOM 312 CG ARG A 20 -9.070 7.338 -5.470 1.00 54.44 C ATOM 313 CD ARG A 20 -7.896 7.588 -4.553 1.00 12.23 C ATOM 314 NE ARG A 20 -7.865 8.968 -4.071 1.00 40.41 N ATOM 315 CZ ARG A 20 -7.190 9.385 -3.000 1.00 45.51 C ATOM 316 NH1 ARG A 20 -6.486 8.522 -2.275 1.00 30.30 N ATOM 317 NH2 ARG A 20 -7.222 10.659 -2.653 1.00 23.34 N ATOM 0 H ARG A 20 -9.601 3.542 -6.504 1.00 4.33 H new ATOM 0 HA ARG A 20 -8.282 4.796 -4.317 1.00 12.34 H new ATOM 0 HB2 ARG A 20 -8.239 5.698 -6.574 1.00 45.01 H new ATOM 0 HB3 ARG A 20 -9.988 5.787 -6.632 1.00 45.01 H new ATOM 0 HG2 ARG A 20 -9.010 8.013 -6.324 1.00 54.44 H new ATOM 0 HG3 ARG A 20 -9.995 7.573 -4.943 1.00 54.44 H new ATOM 0 HD2 ARG A 20 -7.948 6.908 -3.703 1.00 12.23 H new ATOM 0 HD3 ARG A 20 -6.969 7.367 -5.082 1.00 12.23 H new ATOM 0 HE ARG A 20 -8.399 9.663 -4.593 1.00 40.41 H new ATOM 0 HH11 ARG A 20 -6.461 7.537 -2.537 1.00 30.30 H new ATOM 0 HH12 ARG A 20 -5.971 8.845 -1.456 1.00 30.30 H new ATOM 0 HH21 ARG A 20 -7.764 11.324 -3.205 1.00 23.34 H new ATOM 0 HH22 ARG A 20 -6.705 10.977 -1.833 1.00 23.34 H new ATOM 331 N ALA A 21 -11.485 4.495 -4.208 1.00 3.11 N ATOM 332 CA ALA A 21 -12.671 4.611 -3.416 1.00 53.24 C ATOM 333 C ALA A 21 -12.649 3.683 -2.191 1.00 54.43 C ATOM 334 O ALA A 21 -13.539 3.742 -1.379 1.00 13.32 O ATOM 335 CB ALA A 21 -13.891 4.338 -4.266 1.00 62.34 C ATOM 0 H ALA A 21 -11.600 3.901 -5.030 1.00 3.11 H new ATOM 0 HA ALA A 21 -12.714 5.633 -3.040 1.00 53.24 H new ATOM 0 HB1 ALA A 21 -14.788 4.429 -3.654 1.00 62.34 H new ATOM 0 HB2 ALA A 21 -13.934 5.059 -5.083 1.00 62.34 H new ATOM 0 HB3 ALA A 21 -13.831 3.329 -4.675 1.00 62.34 H new ATOM 341 N ASN A 22 -11.646 2.808 -2.081 1.00 21.43 N ATOM 342 CA ASN A 22 -11.585 1.860 -0.950 1.00 44.33 C ATOM 343 C ASN A 22 -10.337 2.101 -0.090 1.00 72.14 C ATOM 344 O ASN A 22 -10.065 1.369 0.831 1.00 74.43 O ATOM 345 CB ASN A 22 -11.577 0.414 -1.463 1.00 52.42 C ATOM 346 CG ASN A 22 -11.746 -0.632 -0.350 1.00 43.20 C ATOM 347 OD1 ASN A 22 -12.441 -0.413 0.662 1.00 51.11 O ATOM 348 ND2 ASN A 22 -11.074 -1.729 -0.497 1.00 54.25 N ATOM 0 H ASN A 22 -10.875 2.731 -2.745 1.00 21.43 H new ATOM 0 HA ASN A 22 -12.470 2.024 -0.335 1.00 44.33 H new ATOM 0 HB2 ASN A 22 -12.379 0.291 -2.191 1.00 52.42 H new ATOM 0 HB3 ASN A 22 -10.639 0.228 -1.986 1.00 52.42 H new ATOM 0 HD21 ASN A 22 -11.103 -2.446 0.228 1.00 54.25 H new ATOM 0 HD22 ASN A 22 -10.515 -1.876 -1.338 1.00 54.25 H new ATOM 355 N VAL A 23 -9.603 3.134 -0.376 1.00 75.23 N ATOM 356 CA VAL A 23 -8.394 3.410 0.388 1.00 32.11 C ATOM 357 C VAL A 23 -8.622 4.510 1.435 1.00 14.13 C ATOM 358 O VAL A 23 -9.135 5.592 1.117 1.00 41.33 O ATOM 359 CB VAL A 23 -7.192 3.762 -0.541 1.00 33.02 C ATOM 360 CG1 VAL A 23 -7.477 4.973 -1.418 1.00 31.31 C ATOM 361 CG2 VAL A 23 -5.943 3.979 0.277 1.00 1.52 C ATOM 0 H VAL A 23 -9.805 3.801 -1.121 1.00 75.23 H new ATOM 0 HA VAL A 23 -8.141 2.494 0.922 1.00 32.11 H new ATOM 0 HB VAL A 23 -7.037 2.914 -1.208 1.00 33.02 H new ATOM 0 HG11 VAL A 23 -6.611 5.179 -2.047 1.00 31.31 H new ATOM 0 HG12 VAL A 23 -8.343 4.770 -2.048 1.00 31.31 H new ATOM 0 HG13 VAL A 23 -7.682 5.839 -0.788 1.00 31.31 H new ATOM 0 HG21 VAL A 23 -5.112 4.224 -0.385 1.00 1.52 H new ATOM 0 HG22 VAL A 23 -6.104 4.800 0.976 1.00 1.52 H new ATOM 0 HG23 VAL A 23 -5.709 3.070 0.832 1.00 1.52 H new ATOM 371 N LYS A 24 -8.286 4.214 2.688 1.00 75.13 N ATOM 372 CA LYS A 24 -8.388 5.197 3.750 1.00 2.42 C ATOM 373 C LYS A 24 -7.155 6.084 3.715 1.00 35.40 C ATOM 374 O LYS A 24 -7.218 7.256 3.335 1.00 31.33 O ATOM 375 CB LYS A 24 -8.469 4.553 5.154 1.00 33.00 C ATOM 376 CG LYS A 24 -9.606 3.585 5.366 1.00 64.31 C ATOM 377 CD LYS A 24 -9.696 3.105 6.815 1.00 70.11 C ATOM 378 CE LYS A 24 -10.077 4.252 7.757 1.00 44.13 C ATOM 379 NZ LYS A 24 -10.258 3.800 9.150 1.00 31.14 N ATOM 0 H LYS A 24 -7.942 3.302 2.987 1.00 75.13 H new ATOM 0 HA LYS A 24 -9.305 5.761 3.581 1.00 2.42 H new ATOM 0 HB2 LYS A 24 -7.532 4.032 5.349 1.00 33.00 H new ATOM 0 HB3 LYS A 24 -8.551 5.349 5.894 1.00 33.00 H new ATOM 0 HG2 LYS A 24 -10.544 4.063 5.085 1.00 64.31 H new ATOM 0 HG3 LYS A 24 -9.476 2.726 4.708 1.00 64.31 H new ATOM 0 HD2 LYS A 24 -10.435 2.308 6.891 1.00 70.11 H new ATOM 0 HD3 LYS A 24 -8.739 2.683 7.121 1.00 70.11 H new ATOM 0 HE2 LYS A 24 -9.302 5.018 7.724 1.00 44.13 H new ATOM 0 HE3 LYS A 24 -10.999 4.716 7.406 1.00 44.13 H new ATOM 0 HZ1 LYS A 24 -10.515 4.611 9.748 1.00 31.14 H new ATOM 0 HZ2 LYS A 24 -11.015 3.088 9.188 1.00 31.14 H new ATOM 0 HZ3 LYS A 24 -9.372 3.381 9.497 1.00 31.14 H new ATOM 393 N HIS A 25 -6.016 5.501 4.082 1.00 30.23 N ATOM 394 CA HIS A 25 -4.774 6.240 4.120 1.00 51.20 C ATOM 395 C HIS A 25 -3.760 5.646 3.178 1.00 61.13 C ATOM 396 O HIS A 25 -3.813 4.444 2.875 1.00 22.35 O ATOM 397 CB HIS A 25 -4.163 6.361 5.563 1.00 44.13 C ATOM 398 CG HIS A 25 -3.631 5.120 6.252 1.00 74.14 C ATOM 399 ND1 HIS A 25 -3.153 5.155 7.534 1.00 43.03 N ATOM 400 CD2 HIS A 25 -3.413 3.860 5.820 1.00 23.42 C ATOM 401 CE1 HIS A 25 -2.664 3.988 7.856 1.00 14.43 C ATOM 402 NE2 HIS A 25 -2.811 3.179 6.834 1.00 63.13 N ATOM 0 H HIS A 25 -5.936 4.521 4.355 1.00 30.23 H new ATOM 0 HA HIS A 25 -5.022 7.251 3.795 1.00 51.20 H new ATOM 0 HB2 HIS A 25 -3.348 7.083 5.514 1.00 44.13 H new ATOM 0 HB3 HIS A 25 -4.930 6.790 6.208 1.00 44.13 H new ATOM 0 HD2 HIS A 25 -3.669 3.464 4.848 1.00 23.42 H new ATOM 0 HE1 HIS A 25 -2.214 3.732 8.804 1.00 14.43 H new ATOM 0 HE2 HIS A 25 -2.522 2.201 6.804 1.00 63.13 H new ATOM 411 N LEU A 26 -2.851 6.465 2.739 1.00 14.54 N ATOM 412 CA LEU A 26 -1.766 6.042 1.898 1.00 31.53 C ATOM 413 C LEU A 26 -0.481 6.223 2.649 1.00 32.10 C ATOM 414 O LEU A 26 -0.233 7.275 3.229 1.00 51.11 O ATOM 415 CB LEU A 26 -1.681 6.852 0.573 1.00 52.41 C ATOM 416 CG LEU A 26 -2.771 6.643 -0.503 1.00 50.14 C ATOM 417 CD1 LEU A 26 -2.825 5.198 -0.962 1.00 73.00 C ATOM 418 CD2 LEU A 26 -4.134 7.139 -0.048 1.00 74.43 C ATOM 0 H LEU A 26 -2.840 7.461 2.957 1.00 14.54 H new ATOM 0 HA LEU A 26 -1.940 4.998 1.637 1.00 31.53 H new ATOM 0 HB2 LEU A 26 -1.674 7.910 0.834 1.00 52.41 H new ATOM 0 HB3 LEU A 26 -0.718 6.631 0.113 1.00 52.41 H new ATOM 0 HG LEU A 26 -2.489 7.252 -1.362 1.00 50.14 H new ATOM 0 HD11 LEU A 26 -3.602 5.085 -1.718 1.00 73.00 H new ATOM 0 HD12 LEU A 26 -1.862 4.915 -1.386 1.00 73.00 H new ATOM 0 HD13 LEU A 26 -3.051 4.554 -0.112 1.00 73.00 H new ATOM 0 HD21 LEU A 26 -4.865 6.970 -0.838 1.00 74.43 H new ATOM 0 HD22 LEU A 26 -4.437 6.598 0.849 1.00 74.43 H new ATOM 0 HD23 LEU A 26 -4.078 8.205 0.173 1.00 74.43 H new ATOM 430 N LYS A 27 0.302 5.219 2.677 1.00 13.12 N ATOM 431 CA LYS A 27 1.592 5.296 3.262 1.00 15.32 C ATOM 432 C LYS A 27 2.538 4.691 2.269 1.00 3.32 C ATOM 433 O LYS A 27 2.361 3.570 1.866 1.00 65.02 O ATOM 434 CB LYS A 27 1.605 4.512 4.591 1.00 55.12 C ATOM 435 CG LYS A 27 2.946 4.509 5.311 1.00 30.03 C ATOM 436 CD LYS A 27 2.898 3.687 6.594 1.00 5.31 C ATOM 437 CE LYS A 27 1.869 4.225 7.584 1.00 13.30 C ATOM 438 NZ LYS A 27 1.844 3.437 8.836 1.00 35.24 N ATOM 0 H LYS A 27 0.069 4.304 2.291 1.00 13.12 H new ATOM 0 HA LYS A 27 1.879 6.323 3.489 1.00 15.32 H new ATOM 0 HB2 LYS A 27 0.852 4.936 5.255 1.00 55.12 H new ATOM 0 HB3 LYS A 27 1.312 3.481 4.393 1.00 55.12 H new ATOM 0 HG2 LYS A 27 3.713 4.106 4.650 1.00 30.03 H new ATOM 0 HG3 LYS A 27 3.235 5.533 5.546 1.00 30.03 H new ATOM 0 HD2 LYS A 27 2.660 2.651 6.351 1.00 5.31 H new ATOM 0 HD3 LYS A 27 3.883 3.687 7.060 1.00 5.31 H new ATOM 0 HE2 LYS A 27 2.096 5.266 7.815 1.00 13.30 H new ATOM 0 HE3 LYS A 27 0.880 4.209 7.125 1.00 13.30 H new ATOM 0 HZ1 LYS A 27 1.132 3.834 9.482 1.00 35.24 H new ATOM 0 HZ2 LYS A 27 1.602 2.449 8.620 1.00 35.24 H new ATOM 0 HZ3 LYS A 27 2.780 3.473 9.288 1.00 35.24 H new ATOM 452 N ILE A 28 3.519 5.416 1.863 1.00 34.44 N ATOM 453 CA ILE A 28 4.412 4.906 0.876 1.00 3.53 C ATOM 454 C ILE A 28 5.798 4.736 1.452 1.00 31.24 C ATOM 455 O ILE A 28 6.360 5.657 2.070 1.00 12.14 O ATOM 456 CB ILE A 28 4.413 5.766 -0.413 1.00 74.11 C ATOM 457 CG1 ILE A 28 2.985 5.835 -0.989 1.00 62.22 C ATOM 458 CG2 ILE A 28 5.349 5.169 -1.432 1.00 40.12 C ATOM 459 CD1 ILE A 28 2.863 6.569 -2.309 1.00 65.23 C ATOM 0 H ILE A 28 3.726 6.358 2.194 1.00 34.44 H new ATOM 0 HA ILE A 28 4.053 3.921 0.578 1.00 3.53 H new ATOM 0 HB ILE A 28 4.753 6.773 -0.171 1.00 74.11 H new ATOM 0 HG12 ILE A 28 2.612 4.819 -1.119 1.00 62.22 H new ATOM 0 HG13 ILE A 28 2.338 6.321 -0.259 1.00 62.22 H new ATOM 0 HG21 ILE A 28 5.343 5.781 -2.334 1.00 40.12 H new ATOM 0 HG22 ILE A 28 6.359 5.136 -1.023 1.00 40.12 H new ATOM 0 HG23 ILE A 28 5.023 4.158 -1.677 1.00 40.12 H new ATOM 0 HD11 ILE A 28 1.822 6.564 -2.633 1.00 65.23 H new ATOM 0 HD12 ILE A 28 3.200 7.598 -2.186 1.00 65.23 H new ATOM 0 HD13 ILE A 28 3.479 6.073 -3.059 1.00 65.23 H new ATOM 471 N LEU A 29 6.337 3.563 1.279 1.00 72.31 N ATOM 472 CA LEU A 29 7.583 3.209 1.862 1.00 10.53 C ATOM 473 C LEU A 29 8.652 2.967 0.804 1.00 54.11 C ATOM 474 O LEU A 29 8.605 1.989 0.051 1.00 23.23 O ATOM 475 CB LEU A 29 7.406 1.975 2.744 1.00 54.44 C ATOM 476 CG LEU A 29 8.646 1.493 3.488 1.00 3.11 C ATOM 477 CD1 LEU A 29 9.158 2.572 4.430 1.00 3.32 C ATOM 478 CD2 LEU A 29 8.328 0.227 4.249 1.00 4.33 C ATOM 0 H LEU A 29 5.912 2.822 0.721 1.00 72.31 H new ATOM 0 HA LEU A 29 7.922 4.044 2.475 1.00 10.53 H new ATOM 0 HB2 LEU A 29 6.628 2.187 3.477 1.00 54.44 H new ATOM 0 HB3 LEU A 29 7.042 1.158 2.121 1.00 54.44 H new ATOM 0 HG LEU A 29 9.431 1.279 2.763 1.00 3.11 H new ATOM 0 HD11 LEU A 29 10.043 2.209 4.952 1.00 3.32 H new ATOM 0 HD12 LEU A 29 9.414 3.463 3.857 1.00 3.32 H new ATOM 0 HD13 LEU A 29 8.384 2.818 5.157 1.00 3.32 H new ATOM 0 HD21 LEU A 29 9.218 -0.112 4.779 1.00 4.33 H new ATOM 0 HD22 LEU A 29 7.532 0.424 4.967 1.00 4.33 H new ATOM 0 HD23 LEU A 29 8.004 -0.545 3.551 1.00 4.33 H new ATOM 490 N ASN A 30 9.601 3.849 0.752 1.00 61.12 N ATOM 491 CA ASN A 30 10.729 3.697 -0.132 1.00 61.12 C ATOM 492 C ASN A 30 11.778 2.889 0.589 1.00 64.13 C ATOM 493 O ASN A 30 12.080 3.148 1.756 1.00 41.22 O ATOM 494 CB ASN A 30 11.289 5.070 -0.577 1.00 11.52 C ATOM 495 CG ASN A 30 11.645 5.987 0.585 1.00 25.54 C ATOM 496 OD1 ASN A 30 12.758 5.961 1.110 1.00 22.02 O ATOM 497 ND2 ASN A 30 10.708 6.818 0.985 1.00 32.33 N ATOM 0 H ASN A 30 9.621 4.697 1.319 1.00 61.12 H new ATOM 0 HA ASN A 30 10.418 3.181 -1.041 1.00 61.12 H new ATOM 0 HB2 ASN A 30 12.177 4.910 -1.188 1.00 11.52 H new ATOM 0 HB3 ASN A 30 10.552 5.566 -1.209 1.00 11.52 H new ATOM 0 HD21 ASN A 30 10.894 7.466 1.751 1.00 32.33 H new ATOM 0 HD22 ASN A 30 9.795 6.815 0.529 1.00 32.33 H new ATOM 504 N THR A 31 12.289 1.882 -0.050 1.00 35.20 N ATOM 505 CA THR A 31 13.233 1.043 0.575 1.00 73.14 C ATOM 506 C THR A 31 14.591 1.152 -0.135 1.00 5.33 C ATOM 507 O THR A 31 14.675 0.959 -1.339 1.00 25.43 O ATOM 508 CB THR A 31 12.682 -0.370 0.554 1.00 43.22 C ATOM 509 OG1 THR A 31 11.424 -0.372 1.233 1.00 73.21 O ATOM 510 CG2 THR A 31 13.586 -1.355 1.220 1.00 23.40 C ATOM 0 H THR A 31 12.058 1.630 -1.011 1.00 35.20 H new ATOM 0 HA THR A 31 13.401 1.341 1.610 1.00 73.14 H new ATOM 0 HB THR A 31 12.583 -0.672 -0.489 1.00 43.22 H new ATOM 0 HG1 THR A 31 11.411 -1.094 1.896 1.00 73.21 H new ATOM 0 HG21 THR A 31 13.139 -2.348 1.174 1.00 23.40 H new ATOM 0 HG22 THR A 31 14.550 -1.367 0.711 1.00 23.40 H new ATOM 0 HG23 THR A 31 13.730 -1.070 2.262 1.00 23.40 H new ATOM 518 N PRO A 32 15.663 1.461 0.633 1.00 72.43 N ATOM 519 CA PRO A 32 17.039 1.721 0.113 1.00 3.03 C ATOM 520 C PRO A 32 17.561 0.684 -0.892 1.00 71.45 C ATOM 521 O PRO A 32 18.326 1.010 -1.795 1.00 74.54 O ATOM 522 CB PRO A 32 17.882 1.653 1.382 1.00 13.43 C ATOM 523 CG PRO A 32 16.978 2.142 2.446 1.00 44.31 C ATOM 524 CD PRO A 32 15.628 1.591 2.111 1.00 41.43 C ATOM 0 HA PRO A 32 17.069 2.660 -0.439 1.00 3.03 H new ATOM 0 HB2 PRO A 32 18.219 0.636 1.582 1.00 13.43 H new ATOM 0 HB3 PRO A 32 18.774 2.274 1.301 1.00 13.43 H new ATOM 0 HG2 PRO A 32 17.308 1.802 3.428 1.00 44.31 H new ATOM 0 HG3 PRO A 32 16.961 3.231 2.476 1.00 44.31 H new ATOM 0 HD2 PRO A 32 15.456 0.629 2.594 1.00 41.43 H new ATOM 0 HD3 PRO A 32 14.830 2.259 2.436 1.00 41.43 H new ATOM 532 N ASN A 33 17.153 -0.546 -0.723 1.00 50.34 N ATOM 533 CA ASN A 33 17.638 -1.634 -1.565 1.00 32.23 C ATOM 534 C ASN A 33 16.501 -2.358 -2.260 1.00 2.30 C ATOM 535 O ASN A 33 16.689 -3.442 -2.800 1.00 14.34 O ATOM 536 CB ASN A 33 18.445 -2.627 -0.721 1.00 14.33 C ATOM 537 CG ASN A 33 17.638 -3.181 0.435 1.00 11.51 C ATOM 538 OD1 ASN A 33 16.955 -4.201 0.314 1.00 3.14 O ATOM 539 ND2 ASN A 33 17.708 -2.513 1.562 1.00 32.11 N ATOM 0 H ASN A 33 16.483 -0.831 -0.009 1.00 50.34 H new ATOM 0 HA ASN A 33 18.276 -1.198 -2.334 1.00 32.23 H new ATOM 0 HB2 ASN A 33 18.783 -3.448 -1.353 1.00 14.33 H new ATOM 0 HB3 ASN A 33 19.337 -2.133 -0.336 1.00 14.33 H new ATOM 0 HD21 ASN A 33 17.186 -2.833 2.378 1.00 32.11 H new ATOM 0 HD22 ASN A 33 18.284 -1.674 1.622 1.00 32.11 H new ATOM 546 N CYS A 34 15.345 -1.759 -2.285 1.00 42.33 N ATOM 547 CA CYS A 34 14.198 -2.401 -2.888 1.00 44.31 C ATOM 548 C CYS A 34 13.425 -1.384 -3.692 1.00 12.41 C ATOM 549 O CYS A 34 13.769 -0.190 -3.700 1.00 72.43 O ATOM 550 CB CYS A 34 13.305 -3.051 -1.812 1.00 61.35 C ATOM 551 SG CYS A 34 11.956 -4.128 -2.441 1.00 25.12 S ATOM 0 H CYS A 34 15.166 -0.832 -1.899 1.00 42.33 H new ATOM 0 HA CYS A 34 14.538 -3.195 -3.552 1.00 44.31 H new ATOM 0 HB2 CYS A 34 13.938 -3.642 -1.149 1.00 61.35 H new ATOM 0 HB3 CYS A 34 12.861 -2.260 -1.208 1.00 61.35 H new ATOM 556 N ALA A 35 12.425 -1.847 -4.378 1.00 52.45 N ATOM 557 CA ALA A 35 11.571 -1.014 -5.161 1.00 24.52 C ATOM 558 C ALA A 35 10.651 -0.224 -4.245 1.00 74.10 C ATOM 559 O ALA A 35 10.624 -0.440 -3.008 1.00 51.51 O ATOM 560 CB ALA A 35 10.763 -1.861 -6.134 1.00 75.34 C ATOM 0 H ALA A 35 12.177 -2.836 -4.408 1.00 52.45 H new ATOM 0 HA ALA A 35 12.177 -0.315 -5.738 1.00 24.52 H new ATOM 0 HB1 ALA A 35 10.115 -1.216 -6.727 1.00 75.34 H new ATOM 0 HB2 ALA A 35 11.440 -2.401 -6.796 1.00 75.34 H new ATOM 0 HB3 ALA A 35 10.155 -2.574 -5.577 1.00 75.34 H new ATOM 566 N LEU A 36 9.905 0.657 -4.825 1.00 20.42 N ATOM 567 CA LEU A 36 9.033 1.507 -4.093 1.00 24.33 C ATOM 568 C LEU A 36 7.765 0.738 -3.709 1.00 33.30 C ATOM 569 O LEU A 36 7.007 0.290 -4.570 1.00 72.01 O ATOM 570 CB LEU A 36 8.758 2.790 -4.931 1.00 24.45 C ATOM 571 CG LEU A 36 7.931 3.921 -4.295 1.00 52.43 C ATOM 572 CD1 LEU A 36 6.461 3.561 -4.202 1.00 63.42 C ATOM 573 CD2 LEU A 36 8.489 4.251 -2.919 1.00 3.44 C ATOM 0 H LEU A 36 9.885 0.807 -5.834 1.00 20.42 H new ATOM 0 HA LEU A 36 9.489 1.829 -3.157 1.00 24.33 H new ATOM 0 HB2 LEU A 36 9.722 3.208 -5.223 1.00 24.45 H new ATOM 0 HB3 LEU A 36 8.252 2.485 -5.847 1.00 24.45 H new ATOM 0 HG LEU A 36 8.007 4.799 -4.937 1.00 52.43 H new ATOM 0 HD11 LEU A 36 5.912 4.386 -3.747 1.00 63.42 H new ATOM 0 HD12 LEU A 36 6.069 3.371 -5.201 1.00 63.42 H new ATOM 0 HD13 LEU A 36 6.343 2.666 -3.590 1.00 63.42 H new ATOM 0 HD21 LEU A 36 7.902 5.052 -2.471 1.00 3.44 H new ATOM 0 HD22 LEU A 36 8.439 3.366 -2.284 1.00 3.44 H new ATOM 0 HD23 LEU A 36 9.526 4.571 -3.014 1.00 3.44 H new ATOM 585 N GLN A 37 7.577 0.558 -2.421 1.00 21.24 N ATOM 586 CA GLN A 37 6.417 -0.144 -1.903 1.00 12.33 C ATOM 587 C GLN A 37 5.391 0.827 -1.337 1.00 43.31 C ATOM 588 O GLN A 37 5.737 1.827 -0.721 1.00 35.35 O ATOM 589 CB GLN A 37 6.887 -1.088 -0.837 1.00 14.24 C ATOM 590 CG GLN A 37 7.808 -2.149 -1.381 1.00 32.11 C ATOM 591 CD GLN A 37 8.848 -2.496 -0.410 1.00 74.40 C ATOM 592 OE1 GLN A 37 8.692 -3.391 0.417 1.00 24.03 O ATOM 593 NE2 GLN A 37 9.930 -1.802 -0.513 1.00 53.05 N ATOM 0 H GLN A 37 8.220 0.892 -1.703 1.00 21.24 H new ATOM 0 HA GLN A 37 5.930 -0.691 -2.710 1.00 12.33 H new ATOM 0 HB2 GLN A 37 7.403 -0.526 -0.058 1.00 14.24 H new ATOM 0 HB3 GLN A 37 6.025 -1.563 -0.369 1.00 14.24 H new ATOM 0 HG2 GLN A 37 7.232 -3.039 -1.635 1.00 32.11 H new ATOM 0 HG3 GLN A 37 8.270 -1.795 -2.302 1.00 32.11 H new ATOM 0 HE21 GLN A 37 10.001 -1.071 -1.220 1.00 53.05 H new ATOM 0 HE22 GLN A 37 10.714 -1.985 0.113 1.00 53.05 H new ATOM 602 N ILE A 38 4.142 0.537 -1.559 1.00 54.53 N ATOM 603 CA ILE A 38 3.056 1.369 -1.079 1.00 43.45 C ATOM 604 C ILE A 38 2.218 0.562 -0.110 1.00 64.41 C ATOM 605 O ILE A 38 2.003 -0.612 -0.333 1.00 32.41 O ATOM 606 CB ILE A 38 2.162 1.802 -2.265 1.00 40.51 C ATOM 607 CG1 ILE A 38 2.978 2.573 -3.295 1.00 34.40 C ATOM 608 CG2 ILE A 38 0.948 2.618 -1.797 1.00 23.12 C ATOM 609 CD1 ILE A 38 2.215 2.901 -4.542 1.00 15.53 C ATOM 0 H ILE A 38 3.837 -0.285 -2.080 1.00 54.53 H new ATOM 0 HA ILE A 38 3.465 2.253 -0.590 1.00 43.45 H new ATOM 0 HB ILE A 38 1.777 0.898 -2.737 1.00 40.51 H new ATOM 0 HG12 ILE A 38 3.335 3.499 -2.844 1.00 34.40 H new ATOM 0 HG13 ILE A 38 3.858 1.987 -3.561 1.00 34.40 H new ATOM 0 HG21 ILE A 38 0.346 2.902 -2.660 1.00 23.12 H new ATOM 0 HG22 ILE A 38 0.345 2.016 -1.117 1.00 23.12 H new ATOM 0 HG23 ILE A 38 1.290 3.515 -1.281 1.00 23.12 H new ATOM 0 HD11 ILE A 38 2.859 3.450 -5.229 1.00 15.53 H new ATOM 0 HD12 ILE A 38 1.880 1.979 -5.017 1.00 15.53 H new ATOM 0 HD13 ILE A 38 1.350 3.513 -4.289 1.00 15.53 H new ATOM 621 N VAL A 39 1.777 1.179 0.953 1.00 42.12 N ATOM 622 CA VAL A 39 0.916 0.540 1.925 1.00 64.15 C ATOM 623 C VAL A 39 -0.382 1.345 2.045 1.00 75.20 C ATOM 624 O VAL A 39 -0.358 2.567 2.238 1.00 61.12 O ATOM 625 CB VAL A 39 1.588 0.442 3.328 1.00 42.54 C ATOM 626 CG1 VAL A 39 0.688 -0.292 4.314 1.00 33.42 C ATOM 627 CG2 VAL A 39 2.954 -0.230 3.244 1.00 14.13 C ATOM 0 H VAL A 39 2.004 2.148 1.175 1.00 42.12 H new ATOM 0 HA VAL A 39 0.715 -0.475 1.581 1.00 64.15 H new ATOM 0 HB VAL A 39 1.737 1.459 3.692 1.00 42.54 H new ATOM 0 HG11 VAL A 39 1.180 -0.347 5.285 1.00 33.42 H new ATOM 0 HG12 VAL A 39 -0.255 0.245 4.415 1.00 33.42 H new ATOM 0 HG13 VAL A 39 0.494 -1.300 3.948 1.00 33.42 H new ATOM 0 HG21 VAL A 39 3.395 -0.283 4.239 1.00 14.13 H new ATOM 0 HG22 VAL A 39 2.840 -1.238 2.844 1.00 14.13 H new ATOM 0 HG23 VAL A 39 3.605 0.349 2.589 1.00 14.13 H new ATOM 637 N ALA A 40 -1.482 0.677 1.928 1.00 32.20 N ATOM 638 CA ALA A 40 -2.777 1.305 1.994 1.00 34.22 C ATOM 639 C ALA A 40 -3.654 0.556 2.928 1.00 25.21 C ATOM 640 O ALA A 40 -3.478 -0.643 3.130 1.00 31.11 O ATOM 641 CB ALA A 40 -3.405 1.306 0.636 1.00 23.13 C ATOM 0 H ALA A 40 -1.516 -0.332 1.782 1.00 32.20 H new ATOM 0 HA ALA A 40 -2.655 2.329 2.347 1.00 34.22 H new ATOM 0 HB1 ALA A 40 -4.384 1.781 0.688 1.00 23.13 H new ATOM 0 HB2 ALA A 40 -2.771 1.857 -0.058 1.00 23.13 H new ATOM 0 HB3 ALA A 40 -3.518 0.280 0.287 1.00 23.13 H new ATOM 647 N ARG A 41 -4.588 1.245 3.515 1.00 11.43 N ATOM 648 CA ARG A 41 -5.519 0.595 4.375 1.00 61.25 C ATOM 649 C ARG A 41 -6.889 0.744 3.783 1.00 14.02 C ATOM 650 O ARG A 41 -7.321 1.853 3.506 1.00 70.23 O ATOM 651 CB ARG A 41 -5.452 1.132 5.808 1.00 51.42 C ATOM 652 CG ARG A 41 -6.233 0.265 6.782 1.00 61.24 C ATOM 653 CD ARG A 41 -5.771 0.428 8.222 1.00 2.51 C ATOM 654 NE ARG A 41 -5.748 1.815 8.708 1.00 52.05 N ATOM 655 CZ ARG A 41 -5.328 2.160 9.944 1.00 41.24 C ATOM 656 NH1 ARG A 41 -5.034 1.215 10.834 1.00 34.30 N ATOM 657 NH2 ARG A 41 -5.230 3.439 10.289 1.00 52.04 N ATOM 0 H ARG A 41 -4.721 2.251 3.412 1.00 11.43 H new ATOM 0 HA ARG A 41 -5.267 -0.463 4.448 1.00 61.25 H new ATOM 0 HB2 ARG A 41 -4.411 1.186 6.126 1.00 51.42 H new ATOM 0 HB3 ARG A 41 -5.845 2.148 5.832 1.00 51.42 H new ATOM 0 HG2 ARG A 41 -7.292 0.515 6.715 1.00 61.24 H new ATOM 0 HG3 ARG A 41 -6.134 -0.780 6.490 1.00 61.24 H new ATOM 0 HD2 ARG A 41 -6.426 -0.158 8.867 1.00 2.51 H new ATOM 0 HD3 ARG A 41 -4.770 0.008 8.318 1.00 2.51 H new ATOM 0 HE ARG A 41 -6.065 2.554 8.080 1.00 52.05 H new ATOM 0 HH11 ARG A 41 -5.126 0.231 10.582 1.00 34.30 H new ATOM 0 HH12 ARG A 41 -4.717 1.475 11.768 1.00 34.30 H new ATOM 0 HH21 ARG A 41 -5.473 4.168 9.618 1.00 52.04 H new ATOM 0 HH22 ARG A 41 -4.912 3.692 11.225 1.00 52.04 H new ATOM 671 N LEU A 42 -7.547 -0.362 3.570 1.00 73.41 N ATOM 672 CA LEU A 42 -8.844 -0.382 2.911 1.00 63.21 C ATOM 673 C LEU A 42 -9.925 0.117 3.849 1.00 14.32 C ATOM 674 O LEU A 42 -9.886 -0.169 5.037 1.00 33.41 O ATOM 675 CB LEU A 42 -9.179 -1.796 2.415 1.00 11.20 C ATOM 676 CG LEU A 42 -8.148 -2.453 1.489 1.00 14.52 C ATOM 677 CD1 LEU A 42 -8.593 -3.845 1.083 1.00 23.54 C ATOM 678 CD2 LEU A 42 -7.876 -1.590 0.268 1.00 34.42 C ATOM 0 H LEU A 42 -7.206 -1.283 3.846 1.00 73.41 H new ATOM 0 HA LEU A 42 -8.798 0.283 2.049 1.00 63.21 H new ATOM 0 HB2 LEU A 42 -9.318 -2.439 3.284 1.00 11.20 H new ATOM 0 HB3 LEU A 42 -10.134 -1.758 1.891 1.00 11.20 H new ATOM 0 HG LEU A 42 -7.214 -2.546 2.044 1.00 14.52 H new ATOM 0 HD11 LEU A 42 -7.845 -4.289 0.427 1.00 23.54 H new ATOM 0 HD12 LEU A 42 -8.709 -4.464 1.973 1.00 23.54 H new ATOM 0 HD13 LEU A 42 -9.546 -3.784 0.557 1.00 23.54 H new ATOM 0 HD21 LEU A 42 -7.141 -2.082 -0.369 1.00 34.42 H new ATOM 0 HD22 LEU A 42 -8.802 -1.446 -0.290 1.00 34.42 H new ATOM 0 HD23 LEU A 42 -7.490 -0.621 0.586 1.00 34.42 H new ATOM 690 N LYS A 43 -10.883 0.848 3.316 1.00 63.13 N ATOM 691 CA LYS A 43 -11.950 1.419 4.121 1.00 70.12 C ATOM 692 C LYS A 43 -12.915 0.344 4.564 1.00 12.32 C ATOM 693 O LYS A 43 -13.229 0.216 5.748 1.00 21.32 O ATOM 694 CB LYS A 43 -12.752 2.483 3.348 1.00 64.34 C ATOM 695 CG LYS A 43 -11.971 3.621 2.721 1.00 33.45 C ATOM 696 CD LYS A 43 -12.909 4.741 2.262 1.00 22.40 C ATOM 697 CE LYS A 43 -14.054 4.213 1.408 1.00 1.42 C ATOM 698 NZ LYS A 43 -14.980 5.282 0.983 1.00 54.03 N ATOM 0 H LYS A 43 -10.946 1.063 2.321 1.00 63.13 H new ATOM 0 HA LYS A 43 -11.470 1.886 4.981 1.00 70.12 H new ATOM 0 HB2 LYS A 43 -13.307 1.979 2.557 1.00 64.34 H new ATOM 0 HB3 LYS A 43 -13.487 2.913 4.029 1.00 64.34 H new ATOM 0 HG2 LYS A 43 -11.253 4.015 3.441 1.00 33.45 H new ATOM 0 HG3 LYS A 43 -11.399 3.249 1.871 1.00 33.45 H new ATOM 0 HD2 LYS A 43 -13.314 5.255 3.134 1.00 22.40 H new ATOM 0 HD3 LYS A 43 -12.342 5.478 1.693 1.00 22.40 H new ATOM 0 HE2 LYS A 43 -13.647 3.717 0.527 1.00 1.42 H new ATOM 0 HE3 LYS A 43 -14.606 3.460 1.971 1.00 1.42 H new ATOM 0 HZ1 LYS A 43 -15.741 4.872 0.405 1.00 54.03 H new ATOM 0 HZ2 LYS A 43 -15.390 5.740 1.822 1.00 54.03 H new ATOM 0 HZ3 LYS A 43 -14.461 5.988 0.423 1.00 54.03 H new ATOM 712 N ASN A 44 -13.359 -0.442 3.605 1.00 33.02 N ATOM 713 CA ASN A 44 -14.397 -1.433 3.844 1.00 51.53 C ATOM 714 C ASN A 44 -13.895 -2.643 4.624 1.00 3.44 C ATOM 715 O ASN A 44 -14.611 -3.181 5.477 1.00 64.21 O ATOM 716 CB ASN A 44 -15.031 -1.866 2.512 1.00 1.42 C ATOM 717 CG ASN A 44 -16.136 -2.902 2.675 1.00 4.12 C ATOM 718 OD1 ASN A 44 -15.887 -4.104 2.643 1.00 21.54 O ATOM 719 ND2 ASN A 44 -17.351 -2.441 2.856 1.00 70.44 N ATOM 0 H ASN A 44 -13.016 -0.416 2.645 1.00 33.02 H new ATOM 0 HA ASN A 44 -15.155 -0.959 4.468 1.00 51.53 H new ATOM 0 HB2 ASN A 44 -15.438 -0.988 2.010 1.00 1.42 H new ATOM 0 HB3 ASN A 44 -14.255 -2.273 1.864 1.00 1.42 H new ATOM 0 HD21 ASN A 44 -18.130 -3.089 2.976 1.00 70.44 H new ATOM 0 HD22 ASN A 44 -17.517 -1.435 2.876 1.00 70.44 H new ATOM 726 N ASN A 45 -12.680 -3.062 4.358 1.00 41.04 N ATOM 727 CA ASN A 45 -12.160 -4.254 5.029 1.00 1.04 C ATOM 728 C ASN A 45 -11.347 -3.857 6.264 1.00 63.14 C ATOM 729 O ASN A 45 -11.359 -4.557 7.275 1.00 23.30 O ATOM 730 CB ASN A 45 -11.241 -5.048 4.101 1.00 64.33 C ATOM 731 CG ASN A 45 -10.952 -6.476 4.605 1.00 4.14 C ATOM 732 OD1 ASN A 45 -10.422 -7.296 3.756 1.00 44.22 O flip ATOM 733 ND2 ASN A 45 -11.105 -6.791 5.776 1.00 12.45 N flip ATOM 0 H ASN A 45 -12.039 -2.617 3.701 1.00 41.04 H new ATOM 0 HA ASN A 45 -13.016 -4.865 5.314 1.00 1.04 H new ATOM 0 HB2 ASN A 45 -11.696 -5.104 3.112 1.00 64.33 H new ATOM 0 HB3 ASN A 45 -10.299 -4.512 3.989 1.00 64.33 H new ATOM 0 HD21 ASN A 45 -11.525 -6.131 6.431 1.00 12.45 H new ATOM 0 HD22 ASN A 45 -10.813 -7.714 6.098 1.00 12.45 H new ATOM 740 N ASN A 46 -10.639 -2.715 6.153 1.00 12.41 N ATOM 741 CA ASN A 46 -9.685 -2.219 7.180 1.00 44.34 C ATOM 742 C ASN A 46 -8.365 -3.009 7.071 1.00 14.14 C ATOM 743 O ASN A 46 -7.493 -2.939 7.929 1.00 2.31 O ATOM 744 CB ASN A 46 -10.311 -2.236 8.618 1.00 23.22 C ATOM 745 CG ASN A 46 -9.478 -1.536 9.691 1.00 54.31 C ATOM 746 OD1 ASN A 46 -9.612 -0.332 9.901 1.00 24.11 O ATOM 747 ND2 ASN A 46 -8.669 -2.270 10.407 1.00 24.34 N ATOM 0 H ASN A 46 -10.710 -2.101 5.342 1.00 12.41 H new ATOM 0 HA ASN A 46 -9.459 -1.170 6.990 1.00 44.34 H new ATOM 0 HB2 ASN A 46 -11.293 -1.765 8.576 1.00 23.22 H new ATOM 0 HB3 ASN A 46 -10.467 -3.272 8.918 1.00 23.22 H new ATOM 0 HD21 ASN A 46 -8.129 -1.846 11.162 1.00 24.34 H new ATOM 0 HD22 ASN A 46 -8.577 -3.267 10.211 1.00 24.34 H new ATOM 754 N ARG A 47 -8.209 -3.739 5.959 1.00 71.23 N ATOM 755 CA ARG A 47 -6.957 -4.433 5.690 1.00 34.03 C ATOM 756 C ARG A 47 -5.927 -3.463 5.307 1.00 20.01 C ATOM 757 O ARG A 47 -6.218 -2.437 4.702 1.00 12.12 O ATOM 758 CB ARG A 47 -7.041 -5.445 4.556 1.00 44.15 C ATOM 759 CG ARG A 47 -7.787 -6.674 4.832 1.00 3.13 C ATOM 760 CD ARG A 47 -7.227 -7.466 5.952 1.00 72.24 C ATOM 761 NE ARG A 47 -7.879 -8.777 6.066 1.00 63.35 N ATOM 762 CZ ARG A 47 -8.022 -9.487 7.197 1.00 2.53 C ATOM 763 NH1 ARG A 47 -7.653 -8.980 8.368 1.00 52.04 N ATOM 764 NH2 ARG A 47 -8.548 -10.702 7.144 1.00 34.43 N ATOM 0 H ARG A 47 -8.927 -3.860 5.244 1.00 71.23 H new ATOM 0 HA ARG A 47 -6.719 -4.964 6.612 1.00 34.03 H new ATOM 0 HB2 ARG A 47 -7.496 -4.956 3.695 1.00 44.15 H new ATOM 0 HB3 ARG A 47 -6.026 -5.719 4.267 1.00 44.15 H new ATOM 0 HG2 ARG A 47 -8.822 -6.418 5.060 1.00 3.13 H new ATOM 0 HG3 ARG A 47 -7.802 -7.290 3.933 1.00 3.13 H new ATOM 0 HD2 ARG A 47 -6.156 -7.603 5.802 1.00 72.24 H new ATOM 0 HD3 ARG A 47 -7.350 -6.916 6.885 1.00 72.24 H new ATOM 0 HE ARG A 47 -8.257 -9.184 5.211 1.00 63.35 H new ATOM 0 HH11 ARG A 47 -7.256 -8.042 8.415 1.00 52.04 H new ATOM 0 HH12 ARG A 47 -7.767 -9.529 9.220 1.00 52.04 H new ATOM 0 HH21 ARG A 47 -8.841 -11.092 6.248 1.00 34.43 H new ATOM 0 HH22 ARG A 47 -8.660 -11.247 7.999 1.00 34.43 H new ATOM 778 N GLN A 48 -4.760 -3.771 5.644 1.00 34.12 N ATOM 779 CA GLN A 48 -3.663 -2.997 5.292 1.00 73.54 C ATOM 780 C GLN A 48 -2.870 -3.811 4.301 1.00 61.32 C ATOM 781 O GLN A 48 -2.372 -4.889 4.636 1.00 64.12 O ATOM 782 CB GLN A 48 -2.849 -2.700 6.519 1.00 52.11 C ATOM 783 CG GLN A 48 -1.815 -1.705 6.274 1.00 22.34 C ATOM 784 CD GLN A 48 -0.999 -1.405 7.494 1.00 24.14 C ATOM 785 OE1 GLN A 48 -1.334 -0.516 8.273 1.00 45.25 O ATOM 786 NE2 GLN A 48 0.074 -2.118 7.666 1.00 61.55 N ATOM 0 H GLN A 48 -4.529 -4.599 6.193 1.00 34.12 H new ATOM 0 HA GLN A 48 -3.957 -2.043 4.854 1.00 73.54 H new ATOM 0 HB2 GLN A 48 -3.508 -2.347 7.312 1.00 52.11 H new ATOM 0 HB3 GLN A 48 -2.386 -3.620 6.876 1.00 52.11 H new ATOM 0 HG2 GLN A 48 -1.157 -2.059 5.480 1.00 22.34 H new ATOM 0 HG3 GLN A 48 -2.279 -0.785 5.917 1.00 22.34 H new ATOM 0 HE21 GLN A 48 0.315 -2.847 6.994 1.00 61.55 H new ATOM 0 HE22 GLN A 48 0.675 -1.949 8.473 1.00 61.55 H new ATOM 795 N VAL A 49 -2.749 -3.322 3.110 1.00 61.42 N ATOM 796 CA VAL A 49 -2.132 -4.078 2.046 1.00 13.52 C ATOM 797 C VAL A 49 -1.109 -3.241 1.325 1.00 51.14 C ATOM 798 O VAL A 49 -1.026 -2.031 1.541 1.00 41.21 O ATOM 799 CB VAL A 49 -3.188 -4.597 1.025 1.00 32.44 C ATOM 800 CG1 VAL A 49 -4.205 -5.505 1.710 1.00 54.04 C ATOM 801 CG2 VAL A 49 -3.895 -3.434 0.321 1.00 33.14 C ATOM 0 H VAL A 49 -3.070 -2.393 2.838 1.00 61.42 H new ATOM 0 HA VAL A 49 -1.642 -4.937 2.503 1.00 13.52 H new ATOM 0 HB VAL A 49 -2.661 -5.179 0.269 1.00 32.44 H new ATOM 0 HG11 VAL A 49 -4.932 -5.855 0.977 1.00 54.04 H new ATOM 0 HG12 VAL A 49 -3.691 -6.360 2.149 1.00 54.04 H new ATOM 0 HG13 VAL A 49 -4.719 -4.949 2.494 1.00 54.04 H new ATOM 0 HG21 VAL A 49 -4.626 -3.827 -0.386 1.00 33.14 H new ATOM 0 HG22 VAL A 49 -4.402 -2.815 1.061 1.00 33.14 H new ATOM 0 HG23 VAL A 49 -3.161 -2.832 -0.214 1.00 33.14 H new ATOM 811 N CYS A 50 -0.345 -3.867 0.478 1.00 50.33 N ATOM 812 CA CYS A 50 0.647 -3.172 -0.276 1.00 11.53 C ATOM 813 C CYS A 50 0.106 -2.927 -1.665 1.00 43.25 C ATOM 814 O CYS A 50 -0.590 -3.773 -2.221 1.00 44.24 O ATOM 815 CB CYS A 50 1.943 -3.977 -0.339 1.00 65.42 C ATOM 816 SG CYS A 50 2.504 -4.574 1.315 1.00 51.13 S ATOM 0 H CYS A 50 -0.394 -4.869 0.294 1.00 50.33 H new ATOM 0 HA CYS A 50 0.875 -2.221 0.206 1.00 11.53 H new ATOM 0 HB2 CYS A 50 1.801 -4.833 -0.999 1.00 65.42 H new ATOM 0 HB3 CYS A 50 2.726 -3.361 -0.781 1.00 65.42 H new ATOM 821 N ILE A 51 0.395 -1.793 -2.209 1.00 10.11 N ATOM 822 CA ILE A 51 -0.088 -1.428 -3.509 1.00 3.13 C ATOM 823 C ILE A 51 1.055 -1.329 -4.486 1.00 31.52 C ATOM 824 O ILE A 51 2.164 -0.916 -4.123 1.00 5.20 O ATOM 825 CB ILE A 51 -0.873 -0.091 -3.488 1.00 52.24 C ATOM 826 CG1 ILE A 51 -2.067 -0.198 -2.558 1.00 1.44 C ATOM 827 CG2 ILE A 51 -1.329 0.307 -4.880 1.00 24.41 C ATOM 828 CD1 ILE A 51 -2.984 1.011 -2.618 1.00 3.11 C ATOM 0 H ILE A 51 0.978 -1.083 -1.765 1.00 10.11 H new ATOM 0 HA ILE A 51 -0.775 -2.213 -3.826 1.00 3.13 H new ATOM 0 HB ILE A 51 -0.201 0.685 -3.121 1.00 52.24 H new ATOM 0 HG12 ILE A 51 -2.638 -1.091 -2.812 1.00 1.44 H new ATOM 0 HG13 ILE A 51 -1.712 -0.326 -1.535 1.00 1.44 H new ATOM 0 HG21 ILE A 51 -1.876 1.248 -4.828 1.00 24.41 H new ATOM 0 HG22 ILE A 51 -0.460 0.427 -5.527 1.00 24.41 H new ATOM 0 HG23 ILE A 51 -1.979 -0.468 -5.286 1.00 24.41 H new ATOM 0 HD11 ILE A 51 -3.817 0.870 -1.929 1.00 3.11 H new ATOM 0 HD12 ILE A 51 -2.427 1.904 -2.336 1.00 3.11 H new ATOM 0 HD13 ILE A 51 -3.367 1.127 -3.632 1.00 3.11 H new ATOM 840 N ASP A 52 0.793 -1.746 -5.704 1.00 11.24 N ATOM 841 CA ASP A 52 1.751 -1.662 -6.768 1.00 11.42 C ATOM 842 C ASP A 52 1.827 -0.239 -7.275 1.00 23.03 C ATOM 843 O ASP A 52 0.806 0.352 -7.646 1.00 31.21 O ATOM 844 CB ASP A 52 1.362 -2.597 -7.886 1.00 65.53 C ATOM 845 CG ASP A 52 2.336 -2.572 -9.045 1.00 31.21 C ATOM 846 OD1 ASP A 52 3.336 -3.332 -9.011 1.00 12.51 O ATOM 847 OD2 ASP A 52 2.113 -1.810 -10.006 1.00 25.31 O ATOM 0 H ASP A 52 -0.100 -2.155 -5.980 1.00 11.24 H new ATOM 0 HA ASP A 52 2.732 -1.956 -6.393 1.00 11.42 H new ATOM 0 HB2 ASP A 52 1.296 -3.613 -7.496 1.00 65.53 H new ATOM 0 HB3 ASP A 52 0.369 -2.329 -8.247 1.00 65.53 H new ATOM 852 N PRO A 53 3.026 0.331 -7.298 1.00 13.21 N ATOM 853 CA PRO A 53 3.239 1.720 -7.691 1.00 15.20 C ATOM 854 C PRO A 53 2.863 2.037 -9.137 1.00 4.41 C ATOM 855 O PRO A 53 2.712 3.197 -9.486 1.00 75.43 O ATOM 856 CB PRO A 53 4.738 1.941 -7.467 1.00 51.41 C ATOM 857 CG PRO A 53 5.326 0.581 -7.494 1.00 35.11 C ATOM 858 CD PRO A 53 4.290 -0.325 -6.919 1.00 64.41 C ATOM 0 HA PRO A 53 2.595 2.379 -7.108 1.00 15.20 H new ATOM 0 HB2 PRO A 53 5.166 2.573 -8.245 1.00 51.41 H new ATOM 0 HB3 PRO A 53 4.928 2.436 -6.514 1.00 51.41 H new ATOM 0 HG2 PRO A 53 5.581 0.286 -8.512 1.00 35.11 H new ATOM 0 HG3 PRO A 53 6.246 0.542 -6.911 1.00 35.11 H new ATOM 0 HD2 PRO A 53 4.361 -1.332 -7.331 1.00 64.41 H new ATOM 0 HD3 PRO A 53 4.389 -0.415 -5.837 1.00 64.41 H new ATOM 866 N LYS A 54 2.679 1.029 -9.970 1.00 5.44 N ATOM 867 CA LYS A 54 2.394 1.289 -11.361 1.00 32.54 C ATOM 868 C LYS A 54 0.908 1.361 -11.661 1.00 13.32 C ATOM 869 O LYS A 54 0.520 1.459 -12.831 1.00 42.31 O ATOM 870 CB LYS A 54 3.115 0.316 -12.303 1.00 45.22 C ATOM 871 CG LYS A 54 4.643 0.386 -12.226 1.00 74.23 C ATOM 872 CD LYS A 54 5.174 1.814 -12.475 1.00 15.14 C ATOM 873 CE LYS A 54 4.802 2.366 -13.856 1.00 3.21 C ATOM 874 NZ LYS A 54 5.402 1.583 -14.962 1.00 41.51 N ATOM 0 H LYS A 54 2.721 0.043 -9.711 1.00 5.44 H new ATOM 0 HA LYS A 54 2.798 2.282 -11.558 1.00 32.54 H new ATOM 0 HB2 LYS A 54 2.797 -0.700 -12.071 1.00 45.22 H new ATOM 0 HB3 LYS A 54 2.804 0.521 -13.327 1.00 45.22 H new ATOM 0 HG2 LYS A 54 4.972 0.044 -11.245 1.00 74.23 H new ATOM 0 HG3 LYS A 54 5.074 -0.293 -12.961 1.00 74.23 H new ATOM 0 HD2 LYS A 54 4.780 2.480 -11.707 1.00 15.14 H new ATOM 0 HD3 LYS A 54 6.259 1.814 -12.371 1.00 15.14 H new ATOM 0 HE2 LYS A 54 3.717 2.367 -13.963 1.00 3.21 H new ATOM 0 HE3 LYS A 54 5.130 3.403 -13.930 1.00 3.21 H new ATOM 0 HZ1 LYS A 54 5.134 2.007 -15.873 1.00 41.51 H new ATOM 0 HZ2 LYS A 54 6.438 1.588 -14.869 1.00 41.51 H new ATOM 0 HZ3 LYS A 54 5.056 0.603 -14.921 1.00 41.51 H new ATOM 888 N LEU A 55 0.068 1.329 -10.621 1.00 34.42 N ATOM 889 CA LEU A 55 -1.342 1.521 -10.811 1.00 52.31 C ATOM 890 C LEU A 55 -1.614 2.901 -11.358 1.00 31.04 C ATOM 891 O LEU A 55 -0.931 3.857 -11.009 1.00 4.11 O ATOM 892 CB LEU A 55 -2.110 1.285 -9.526 1.00 2.24 C ATOM 893 CG LEU A 55 -2.320 -0.158 -9.105 1.00 61.51 C ATOM 894 CD1 LEU A 55 -3.059 -0.210 -7.790 1.00 51.53 C ATOM 895 CD2 LEU A 55 -3.129 -0.874 -10.151 1.00 52.52 C ATOM 0 H LEU A 55 0.353 1.172 -9.654 1.00 34.42 H new ATOM 0 HA LEU A 55 -1.689 0.786 -11.537 1.00 52.31 H new ATOM 0 HB2 LEU A 55 -1.588 1.801 -8.720 1.00 2.24 H new ATOM 0 HB3 LEU A 55 -3.088 1.755 -9.625 1.00 2.24 H new ATOM 0 HG LEU A 55 -1.348 -0.639 -8.994 1.00 61.51 H new ATOM 0 HD11 LEU A 55 -3.205 -1.249 -7.496 1.00 51.53 H new ATOM 0 HD12 LEU A 55 -2.478 0.305 -7.025 1.00 51.53 H new ATOM 0 HD13 LEU A 55 -4.028 0.276 -7.898 1.00 51.53 H new ATOM 0 HD21 LEU A 55 -3.280 -1.910 -9.848 1.00 52.52 H new ATOM 0 HD22 LEU A 55 -4.096 -0.384 -10.261 1.00 52.52 H new ATOM 0 HD23 LEU A 55 -2.598 -0.848 -11.103 1.00 52.52 H new ATOM 907 N LYS A 56 -2.615 3.001 -12.186 1.00 41.03 N ATOM 908 CA LYS A 56 -2.908 4.231 -12.896 1.00 44.44 C ATOM 909 C LYS A 56 -3.330 5.338 -11.946 1.00 62.21 C ATOM 910 O LYS A 56 -2.836 6.459 -12.038 1.00 12.30 O ATOM 911 CB LYS A 56 -3.950 3.978 -13.984 1.00 61.32 C ATOM 912 CG LYS A 56 -3.519 2.876 -14.952 1.00 63.14 C ATOM 913 CD LYS A 56 -4.539 2.614 -16.049 1.00 55.25 C ATOM 914 CE LYS A 56 -4.705 3.808 -16.971 1.00 24.11 C ATOM 915 NZ LYS A 56 -5.638 3.517 -18.072 1.00 41.31 N ATOM 0 H LYS A 56 -3.257 2.236 -12.394 1.00 41.03 H new ATOM 0 HA LYS A 56 -1.995 4.574 -13.382 1.00 44.44 H new ATOM 0 HB2 LYS A 56 -4.897 3.702 -13.520 1.00 61.32 H new ATOM 0 HB3 LYS A 56 -4.124 4.900 -14.540 1.00 61.32 H new ATOM 0 HG2 LYS A 56 -2.568 3.152 -15.407 1.00 63.14 H new ATOM 0 HG3 LYS A 56 -3.350 1.955 -14.393 1.00 63.14 H new ATOM 0 HD2 LYS A 56 -4.229 1.747 -16.632 1.00 55.25 H new ATOM 0 HD3 LYS A 56 -5.500 2.368 -15.598 1.00 55.25 H new ATOM 0 HE2 LYS A 56 -5.070 4.661 -16.400 1.00 24.11 H new ATOM 0 HE3 LYS A 56 -3.735 4.090 -17.380 1.00 24.11 H new ATOM 0 HZ1 LYS A 56 -5.727 4.355 -18.682 1.00 41.31 H new ATOM 0 HZ2 LYS A 56 -5.276 2.718 -18.631 1.00 41.31 H new ATOM 0 HZ3 LYS A 56 -6.570 3.272 -17.681 1.00 41.31 H new ATOM 929 N TRP A 57 -4.204 5.016 -10.997 1.00 33.14 N ATOM 930 CA TRP A 57 -4.641 6.025 -10.029 1.00 1.41 C ATOM 931 C TRP A 57 -3.503 6.341 -9.056 1.00 31.53 C ATOM 932 O TRP A 57 -3.456 7.415 -8.446 1.00 25.40 O ATOM 933 CB TRP A 57 -5.923 5.600 -9.275 1.00 44.54 C ATOM 934 CG TRP A 57 -5.785 4.416 -8.353 1.00 11.51 C ATOM 935 CD1 TRP A 57 -5.850 3.093 -8.680 1.00 22.23 C ATOM 936 CD2 TRP A 57 -5.590 4.462 -6.935 1.00 60.53 C ATOM 937 NE1 TRP A 57 -5.708 2.328 -7.562 1.00 21.43 N ATOM 938 CE2 TRP A 57 -5.544 3.140 -6.478 1.00 54.21 C ATOM 939 CE3 TRP A 57 -5.445 5.499 -6.015 1.00 2.02 C ATOM 940 CZ2 TRP A 57 -5.365 2.821 -5.136 1.00 63.32 C ATOM 941 CZ3 TRP A 57 -5.267 5.184 -4.682 1.00 71.22 C ATOM 942 CH2 TRP A 57 -5.227 3.855 -4.254 1.00 51.52 C ATOM 0 H TRP A 57 -4.616 4.091 -10.875 1.00 33.14 H new ATOM 0 HA TRP A 57 -4.896 6.929 -10.582 1.00 1.41 H new ATOM 0 HB2 TRP A 57 -6.276 6.450 -8.692 1.00 44.54 H new ATOM 0 HB3 TRP A 57 -6.695 5.375 -10.010 1.00 44.54 H new ATOM 0 HD1 TRP A 57 -5.993 2.709 -9.679 1.00 22.23 H new ATOM 0 HE1 TRP A 57 -5.722 1.308 -7.539 1.00 21.43 H new ATOM 0 HE3 TRP A 57 -5.471 6.529 -6.338 1.00 2.02 H new ATOM 0 HZ2 TRP A 57 -5.336 1.794 -4.804 1.00 63.32 H new ATOM 0 HZ3 TRP A 57 -5.157 5.978 -3.959 1.00 71.22 H new ATOM 0 HH2 TRP A 57 -5.084 3.641 -3.205 1.00 51.52 H new ATOM 953 N ILE A 58 -2.586 5.398 -8.943 1.00 55.21 N ATOM 954 CA ILE A 58 -1.418 5.542 -8.118 1.00 15.45 C ATOM 955 C ILE A 58 -0.419 6.472 -8.780 1.00 4.11 C ATOM 956 O ILE A 58 0.123 7.345 -8.137 1.00 22.41 O ATOM 957 CB ILE A 58 -0.780 4.166 -7.798 1.00 31.44 C ATOM 958 CG1 ILE A 58 -1.665 3.356 -6.851 1.00 54.20 C ATOM 959 CG2 ILE A 58 0.613 4.295 -7.249 1.00 4.23 C ATOM 960 CD1 ILE A 58 -1.870 4.003 -5.490 1.00 32.40 C ATOM 0 H ILE A 58 -2.639 4.503 -9.430 1.00 55.21 H new ATOM 0 HA ILE A 58 -1.722 5.984 -7.169 1.00 15.45 H new ATOM 0 HB ILE A 58 -0.703 3.628 -8.743 1.00 31.44 H new ATOM 0 HG12 ILE A 58 -2.637 3.204 -7.320 1.00 54.20 H new ATOM 0 HG13 ILE A 58 -1.222 2.370 -6.710 1.00 54.20 H new ATOM 0 HG21 ILE A 58 1.015 3.304 -7.041 1.00 4.23 H new ATOM 0 HG22 ILE A 58 1.247 4.798 -7.979 1.00 4.23 H new ATOM 0 HG23 ILE A 58 0.589 4.877 -6.328 1.00 4.23 H new ATOM 0 HD11 ILE A 58 -2.509 3.367 -4.877 1.00 32.40 H new ATOM 0 HD12 ILE A 58 -0.905 4.130 -4.998 1.00 32.40 H new ATOM 0 HD13 ILE A 58 -2.343 4.977 -5.618 1.00 32.40 H new ATOM 972 N GLN A 59 -0.193 6.293 -10.070 1.00 4.32 N ATOM 973 CA GLN A 59 0.669 7.194 -10.815 1.00 34.10 C ATOM 974 C GLN A 59 0.154 8.613 -10.736 1.00 11.33 C ATOM 975 O GLN A 59 0.936 9.551 -10.604 1.00 40.02 O ATOM 976 CB GLN A 59 0.822 6.762 -12.261 1.00 63.44 C ATOM 977 CG GLN A 59 1.682 5.520 -12.465 1.00 62.24 C ATOM 978 CD GLN A 59 3.122 5.750 -12.021 1.00 11.43 C ATOM 979 OE1 GLN A 59 3.952 6.201 -12.797 1.00 40.32 O ATOM 980 NE2 GLN A 59 3.436 5.416 -10.804 1.00 44.02 N ATOM 0 H GLN A 59 -0.593 5.534 -10.622 1.00 4.32 H new ATOM 0 HA GLN A 59 1.656 7.154 -10.355 1.00 34.10 H new ATOM 0 HB2 GLN A 59 -0.168 6.575 -12.677 1.00 63.44 H new ATOM 0 HB3 GLN A 59 1.256 7.585 -12.828 1.00 63.44 H new ATOM 0 HG2 GLN A 59 1.257 4.687 -11.904 1.00 62.24 H new ATOM 0 HG3 GLN A 59 1.667 5.236 -13.517 1.00 62.24 H new ATOM 0 HE21 GLN A 59 2.723 5.042 -10.178 1.00 44.02 H new ATOM 0 HE22 GLN A 59 4.395 5.528 -10.476 1.00 44.02 H new ATOM 989 N GLU A 60 -1.162 8.763 -10.795 1.00 33.34 N ATOM 990 CA GLU A 60 -1.782 10.063 -10.633 1.00 13.54 C ATOM 991 C GLU A 60 -1.545 10.585 -9.218 1.00 31.51 C ATOM 992 O GLU A 60 -1.199 11.754 -9.026 1.00 22.00 O ATOM 993 CB GLU A 60 -3.280 9.996 -10.924 1.00 61.11 C ATOM 994 CG GLU A 60 -3.623 9.553 -12.335 1.00 14.00 C ATOM 995 CD GLU A 60 -2.995 10.435 -13.381 1.00 1.11 C ATOM 996 OE1 GLU A 60 -3.396 11.612 -13.502 1.00 43.34 O ATOM 997 OE2 GLU A 60 -2.080 9.980 -14.091 1.00 23.43 O ATOM 0 H GLU A 60 -1.818 7.998 -10.954 1.00 33.34 H new ATOM 0 HA GLU A 60 -1.327 10.748 -11.348 1.00 13.54 H new ATOM 0 HB2 GLU A 60 -3.745 9.309 -10.217 1.00 61.11 H new ATOM 0 HB3 GLU A 60 -3.717 10.979 -10.748 1.00 61.11 H new ATOM 0 HG2 GLU A 60 -3.290 8.526 -12.482 1.00 14.00 H new ATOM 0 HG3 GLU A 60 -4.706 9.558 -12.462 1.00 14.00 H new ATOM 1004 N TYR A 61 -1.707 9.700 -8.235 1.00 2.53 N ATOM 1005 CA TYR A 61 -1.494 10.042 -6.837 1.00 44.22 C ATOM 1006 C TYR A 61 -0.056 10.490 -6.595 1.00 53.14 C ATOM 1007 O TYR A 61 0.168 11.544 -6.028 1.00 64.23 O ATOM 1008 CB TYR A 61 -1.871 8.872 -5.903 1.00 1.31 C ATOM 1009 CG TYR A 61 -1.686 9.182 -4.426 1.00 22.41 C ATOM 1010 CD1 TYR A 61 -2.551 10.043 -3.768 1.00 41.31 C ATOM 1011 CD2 TYR A 61 -0.635 8.634 -3.701 1.00 51.30 C ATOM 1012 CE1 TYR A 61 -2.377 10.344 -2.435 1.00 53.51 C ATOM 1013 CE2 TYR A 61 -0.456 8.931 -2.366 1.00 3.24 C ATOM 1014 CZ TYR A 61 -1.330 9.786 -1.738 1.00 24.12 C ATOM 1015 OH TYR A 61 -1.153 10.094 -0.408 1.00 61.43 O ATOM 0 H TYR A 61 -1.988 8.732 -8.388 1.00 2.53 H new ATOM 0 HA TYR A 61 -2.153 10.877 -6.601 1.00 44.22 H new ATOM 0 HB2 TYR A 61 -2.911 8.599 -6.080 1.00 1.31 H new ATOM 0 HB3 TYR A 61 -1.265 8.003 -6.161 1.00 1.31 H new ATOM 0 HD1 TYR A 61 -3.375 10.485 -4.309 1.00 41.31 H new ATOM 0 HD2 TYR A 61 0.054 7.963 -4.192 1.00 51.30 H new ATOM 0 HE1 TYR A 61 -3.061 11.016 -1.938 1.00 53.51 H new ATOM 0 HE2 TYR A 61 0.366 8.495 -1.818 1.00 3.24 H new ATOM 0 HH TYR A 61 -0.370 9.617 -0.063 1.00 61.43 H new ATOM 1025 N LEU A 62 0.903 9.702 -7.061 1.00 65.32 N ATOM 1026 CA LEU A 62 2.319 10.032 -6.881 1.00 52.35 C ATOM 1027 C LEU A 62 2.699 11.290 -7.616 1.00 13.34 C ATOM 1028 O LEU A 62 3.487 12.094 -7.116 1.00 54.53 O ATOM 1029 CB LEU A 62 3.253 8.871 -7.271 1.00 32.41 C ATOM 1030 CG LEU A 62 3.440 7.743 -6.233 1.00 72.51 C ATOM 1031 CD1 LEU A 62 2.139 7.092 -5.854 1.00 4.44 C ATOM 1032 CD2 LEU A 62 4.407 6.715 -6.746 1.00 40.42 C ATOM 0 H LEU A 62 0.732 8.832 -7.565 1.00 65.32 H new ATOM 0 HA LEU A 62 2.452 10.209 -5.814 1.00 52.35 H new ATOM 0 HB2 LEU A 62 2.874 8.426 -8.191 1.00 32.41 H new ATOM 0 HB3 LEU A 62 4.234 9.287 -7.499 1.00 32.41 H new ATOM 0 HG LEU A 62 3.846 8.201 -5.331 1.00 72.51 H new ATOM 0 HD11 LEU A 62 2.325 6.306 -5.122 1.00 4.44 H new ATOM 0 HD12 LEU A 62 1.471 7.838 -5.424 1.00 4.44 H new ATOM 0 HD13 LEU A 62 1.677 6.659 -6.741 1.00 4.44 H new ATOM 0 HD21 LEU A 62 4.528 5.927 -6.003 1.00 40.42 H new ATOM 0 HD22 LEU A 62 4.024 6.285 -7.672 1.00 40.42 H new ATOM 0 HD23 LEU A 62 5.372 7.186 -6.936 1.00 40.42 H new ATOM 1044 N GLU A 63 2.121 11.478 -8.787 1.00 51.21 N ATOM 1045 CA GLU A 63 2.385 12.630 -9.585 1.00 2.20 C ATOM 1046 C GLU A 63 1.935 13.890 -8.861 1.00 64.43 C ATOM 1047 O GLU A 63 2.714 14.829 -8.714 1.00 10.23 O ATOM 1048 CB GLU A 63 1.693 12.491 -10.929 1.00 11.15 C ATOM 1049 CG GLU A 63 1.964 13.611 -11.887 1.00 14.53 C ATOM 1050 CD GLU A 63 1.359 13.357 -13.240 1.00 4.34 C ATOM 1051 OE1 GLU A 63 2.013 12.689 -14.067 1.00 53.35 O ATOM 1052 OE2 GLU A 63 0.219 13.807 -13.493 1.00 61.11 O ATOM 0 H GLU A 63 1.455 10.826 -9.201 1.00 51.21 H new ATOM 0 HA GLU A 63 3.458 12.712 -9.757 1.00 2.20 H new ATOM 0 HB2 GLU A 63 2.005 11.553 -11.389 1.00 11.15 H new ATOM 0 HB3 GLU A 63 0.618 12.423 -10.764 1.00 11.15 H new ATOM 0 HG2 GLU A 63 1.564 14.540 -11.480 1.00 14.53 H new ATOM 0 HG3 GLU A 63 3.041 13.746 -11.991 1.00 14.53 H new ATOM 1059 N LYS A 64 0.702 13.891 -8.358 1.00 12.24 N ATOM 1060 CA LYS A 64 0.191 15.058 -7.676 1.00 21.31 C ATOM 1061 C LYS A 64 0.811 15.236 -6.296 1.00 21.23 C ATOM 1062 O LYS A 64 0.942 16.356 -5.817 1.00 64.44 O ATOM 1063 CB LYS A 64 -1.331 15.080 -7.620 1.00 51.34 C ATOM 1064 CG LYS A 64 -1.971 13.963 -6.858 1.00 53.11 C ATOM 1065 CD LYS A 64 -3.463 14.073 -6.975 1.00 34.35 C ATOM 1066 CE LYS A 64 -4.166 12.978 -6.221 1.00 14.45 C ATOM 1067 NZ LYS A 64 -3.929 13.059 -4.766 1.00 3.43 N ATOM 0 H LYS A 64 0.054 13.105 -8.413 1.00 12.24 H new ATOM 0 HA LYS A 64 0.494 15.917 -8.274 1.00 21.31 H new ATOM 0 HB2 LYS A 64 -1.646 16.024 -7.176 1.00 51.34 H new ATOM 0 HB3 LYS A 64 -1.714 15.064 -8.641 1.00 51.34 H new ATOM 0 HG2 LYS A 64 -1.634 13.002 -7.247 1.00 53.11 H new ATOM 0 HG3 LYS A 64 -1.673 14.005 -5.810 1.00 53.11 H new ATOM 0 HD2 LYS A 64 -3.787 15.042 -6.594 1.00 34.35 H new ATOM 0 HD3 LYS A 64 -3.749 14.032 -8.026 1.00 34.35 H new ATOM 0 HE2 LYS A 64 -5.237 13.035 -6.416 1.00 14.45 H new ATOM 0 HE3 LYS A 64 -3.826 12.010 -6.589 1.00 14.45 H new ATOM 0 HZ1 LYS A 64 -4.832 12.956 -4.261 1.00 3.43 H new ATOM 0 HZ2 LYS A 64 -3.282 12.298 -4.477 1.00 3.43 H new ATOM 0 HZ3 LYS A 64 -3.506 13.980 -4.534 1.00 3.43 H new ATOM 1081 N ALA A 65 1.217 14.131 -5.676 1.00 73.35 N ATOM 1082 CA ALA A 65 1.865 14.174 -4.365 1.00 73.34 C ATOM 1083 C ALA A 65 3.239 14.808 -4.464 1.00 34.42 C ATOM 1084 O ALA A 65 3.660 15.545 -3.575 1.00 53.21 O ATOM 1085 CB ALA A 65 1.963 12.780 -3.756 1.00 74.45 C ATOM 0 H ALA A 65 1.109 13.192 -6.060 1.00 73.35 H new ATOM 0 HA ALA A 65 1.249 14.788 -3.709 1.00 73.34 H new ATOM 0 HB1 ALA A 65 2.449 12.842 -2.782 1.00 74.45 H new ATOM 0 HB2 ALA A 65 0.963 12.364 -3.637 1.00 74.45 H new ATOM 0 HB3 ALA A 65 2.548 12.136 -4.413 1.00 74.45 H new ATOM 1091 N LEU A 66 3.938 14.521 -5.548 1.00 3.24 N ATOM 1092 CA LEU A 66 5.249 15.102 -5.772 1.00 50.03 C ATOM 1093 C LEU A 66 5.128 16.480 -6.416 1.00 62.21 C ATOM 1094 O LEU A 66 6.033 17.300 -6.318 1.00 3.12 O ATOM 1095 CB LEU A 66 6.119 14.179 -6.631 1.00 23.24 C ATOM 1096 CG LEU A 66 6.420 12.792 -6.043 1.00 45.42 C ATOM 1097 CD1 LEU A 66 7.259 11.972 -7.009 1.00 32.02 C ATOM 1098 CD2 LEU A 66 7.122 12.912 -4.694 1.00 70.43 C ATOM 0 H LEU A 66 3.621 13.891 -6.285 1.00 3.24 H new ATOM 0 HA LEU A 66 5.734 15.219 -4.803 1.00 50.03 H new ATOM 0 HB2 LEU A 66 5.628 14.044 -7.595 1.00 23.24 H new ATOM 0 HB3 LEU A 66 7.066 14.682 -6.824 1.00 23.24 H new ATOM 0 HG LEU A 66 5.471 12.278 -5.887 1.00 45.42 H new ATOM 0 HD11 LEU A 66 7.462 10.993 -6.574 1.00 32.02 H new ATOM 0 HD12 LEU A 66 6.717 11.848 -7.947 1.00 32.02 H new ATOM 0 HD13 LEU A 66 8.201 12.486 -7.200 1.00 32.02 H new ATOM 0 HD21 LEU A 66 7.324 11.916 -4.299 1.00 70.43 H new ATOM 0 HD22 LEU A 66 8.062 13.450 -4.819 1.00 70.43 H new ATOM 0 HD23 LEU A 66 6.483 13.455 -3.998 1.00 70.43 H new ATOM 1110 N ASN A 67 4.017 16.720 -7.081 1.00 22.50 N ATOM 1111 CA ASN A 67 3.762 18.011 -7.718 1.00 61.34 C ATOM 1112 C ASN A 67 3.386 19.063 -6.668 1.00 12.53 C ATOM 1113 O ASN A 67 3.968 20.160 -6.623 1.00 34.32 O ATOM 1114 CB ASN A 67 2.644 17.866 -8.773 1.00 43.34 C ATOM 1115 CG ASN A 67 2.299 19.152 -9.504 1.00 10.20 C ATOM 1116 OD1 ASN A 67 3.129 20.025 -9.680 1.00 41.12 O ATOM 1117 ND2 ASN A 67 1.076 19.253 -9.960 1.00 2.02 N ATOM 0 H ASN A 67 3.267 16.038 -7.199 1.00 22.50 H new ATOM 0 HA ASN A 67 4.671 18.344 -8.218 1.00 61.34 H new ATOM 0 HB2 ASN A 67 2.947 17.117 -9.505 1.00 43.34 H new ATOM 0 HB3 ASN A 67 1.746 17.489 -8.283 1.00 43.34 H new ATOM 0 HD21 ASN A 67 0.793 20.083 -10.481 1.00 2.02 H new ATOM 0 HD22 ASN A 67 0.406 18.502 -9.794 1.00 2.02 H new ATOM 1124 N LYS A 68 2.438 18.728 -5.812 1.00 73.11 N ATOM 1125 CA LYS A 68 1.968 19.637 -4.800 1.00 22.52 C ATOM 1126 C LYS A 68 1.420 18.899 -3.569 1.00 30.31 C ATOM 1127 O LYS A 68 2.200 18.692 -2.608 1.00 37.12 O ATOM 1128 CB LYS A 68 0.962 20.636 -5.387 1.00 74.12 C ATOM 1129 CG LYS A 68 -0.178 20.016 -6.157 1.00 32.32 C ATOM 1130 CD LYS A 68 -1.084 21.083 -6.690 1.00 71.14 C ATOM 1131 CE LYS A 68 -2.260 20.495 -7.449 1.00 55.11 C ATOM 1132 NZ LYS A 68 -3.126 19.638 -6.595 1.00 2.32 N ATOM 1133 OXT LYS A 68 0.229 18.512 -3.551 1.00 37.12 O ATOM 0 H LYS A 68 1.977 17.818 -5.804 1.00 73.11 H new ATOM 0 HA LYS A 68 2.823 20.212 -4.445 1.00 22.52 H new ATOM 0 HB2 LYS A 68 0.549 21.233 -4.574 1.00 74.12 H new ATOM 0 HB3 LYS A 68 1.496 21.321 -6.046 1.00 74.12 H new ATOM 0 HG2 LYS A 68 0.213 19.417 -6.979 1.00 32.32 H new ATOM 0 HG3 LYS A 68 -0.739 19.342 -5.510 1.00 32.32 H new ATOM 0 HD2 LYS A 68 -1.452 21.693 -5.865 1.00 71.14 H new ATOM 0 HD3 LYS A 68 -0.520 21.744 -7.348 1.00 71.14 H new ATOM 0 HE2 LYS A 68 -2.858 21.305 -7.868 1.00 55.11 H new ATOM 0 HE3 LYS A 68 -1.888 19.906 -8.288 1.00 55.11 H new ATOM 0 HZ1 LYS A 68 -4.012 19.430 -7.098 1.00 2.32 H new ATOM 0 HZ2 LYS A 68 -2.632 18.748 -6.382 1.00 2.32 H new ATOM 0 HZ3 LYS A 68 -3.340 20.136 -5.708 1.00 2.32 H new TER 1147 LYS A 68