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 31 THR OG1 : rot 136:sc= 0.825 USER MOD Set 1.2: A 37 GLN :FLIP amide:sc= -7.16! C(o=-9.5!,f=-6.3!) USER MOD Set 2.1: A 25 HIS : no HD1:sc= -0.96 K(o=-2.9,f=-6!) USER MOD Set 2.2: A 48 GLN : amide:sc= -1.94! C(o=-2.9!,f=-4.3!) USER MOD Single : A 1 LYS N :NH3+ -140:sc= -0.655 (180deg=-2.58!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 44:sc= 0.244 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 22 ASN : amide:sc= -3.13! C(o=-3.1!,f=-4.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0333 X(o=-0.033,f=-0.025) USER MOD Single : A 33 ASN : amide:sc= 0.549 K(o=0.55,f=-5.4!) 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=-0.012) USER MOD Single : A 45 ASN : amide:sc= -2.25! X(o=-2.3!,f=-1.9) USER MOD Single : A 46 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.14) USER MOD Single : A 54 LYS NZ :NH3+ -134:sc= -0.048 (180deg=-0.316) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 1.03 K(o=1,f=-0.088) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc=-0.00139 X(o=-0.0014,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -170:sc=-0.00869 (180deg=-0.103) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 5.012 -26.512 6.276 1.00 52.10 N ATOM 2 CA LYS A 1 5.543 -26.786 7.620 1.00 52.15 C ATOM 3 C LYS A 1 6.217 -25.563 8.264 1.00 42.04 C ATOM 4 O LYS A 1 5.880 -25.196 9.394 1.00 22.25 O ATOM 5 CB LYS A 1 6.485 -28.003 7.655 1.00 25.02 C ATOM 6 CG LYS A 1 5.889 -29.293 7.218 1.00 15.54 C ATOM 7 CD LYS A 1 6.936 -30.368 7.304 1.00 35.00 C ATOM 8 CE LYS A 1 6.403 -31.680 6.856 1.00 12.42 C ATOM 9 NZ LYS A 1 7.420 -32.744 6.965 1.00 40.20 N ATOM 0 H1 LYS A 1 4.093 -26.986 6.163 1.00 52.10 H new ATOM 0 H2 LYS A 1 4.890 -25.486 6.153 1.00 52.10 H new ATOM 0 H3 LYS A 1 5.677 -26.870 5.561 1.00 52.10 H new ATOM 0 HA LYS A 1 4.666 -27.029 8.221 1.00 52.15 H new ATOM 0 HB2 LYS A 1 7.347 -27.790 7.023 1.00 25.02 H new ATOM 0 HB3 LYS A 1 6.857 -28.122 8.673 1.00 25.02 H new ATOM 0 HG2 LYS A 1 5.036 -29.546 7.848 1.00 15.54 H new ATOM 0 HG3 LYS A 1 5.518 -29.210 6.197 1.00 15.54 H new ATOM 0 HD2 LYS A 1 7.793 -30.093 6.690 1.00 35.00 H new ATOM 0 HD3 LYS A 1 7.292 -30.450 8.331 1.00 35.00 H new ATOM 0 HE2 LYS A 1 5.533 -31.944 7.457 1.00 12.42 H new ATOM 0 HE3 LYS A 1 6.065 -31.603 5.823 1.00 12.42 H new ATOM 0 HZ1 LYS A 1 7.014 -33.646 6.644 1.00 40.20 H new ATOM 0 HZ2 LYS A 1 8.240 -32.503 6.372 1.00 40.20 H new ATOM 0 HZ3 LYS A 1 7.724 -32.834 7.956 1.00 40.20 H new ATOM 23 N PRO A 2 7.193 -24.920 7.592 1.00 11.23 N ATOM 24 CA PRO A 2 7.876 -23.779 8.141 1.00 34.34 C ATOM 25 C PRO A 2 7.235 -22.460 7.716 1.00 44.45 C ATOM 26 O PRO A 2 6.430 -22.407 6.774 1.00 32.55 O ATOM 27 CB PRO A 2 9.260 -23.907 7.514 1.00 3.24 C ATOM 28 CG PRO A 2 8.994 -24.454 6.150 1.00 71.12 C ATOM 29 CD PRO A 2 7.720 -25.253 6.257 1.00 1.51 C ATOM 0 HA PRO A 2 7.863 -23.766 9.231 1.00 34.34 H new ATOM 0 HB2 PRO A 2 9.766 -22.943 7.465 1.00 3.24 H new ATOM 0 HB3 PRO A 2 9.900 -24.573 8.093 1.00 3.24 H new ATOM 0 HG2 PRO A 2 8.889 -23.650 5.422 1.00 71.12 H new ATOM 0 HG3 PRO A 2 9.820 -25.081 5.815 1.00 71.12 H new ATOM 0 HD2 PRO A 2 7.014 -24.983 5.472 1.00 1.51 H new ATOM 0 HD3 PRO A 2 7.911 -26.322 6.160 1.00 1.51 H new ATOM 37 N VAL A 3 7.570 -21.423 8.410 1.00 13.24 N ATOM 38 CA VAL A 3 7.156 -20.109 8.028 1.00 14.44 C ATOM 39 C VAL A 3 8.259 -19.531 7.138 1.00 3.10 C ATOM 40 O VAL A 3 9.449 -19.581 7.500 1.00 3.54 O ATOM 41 CB VAL A 3 6.847 -19.199 9.274 1.00 22.41 C ATOM 42 CG1 VAL A 3 8.036 -19.092 10.222 1.00 33.11 C ATOM 43 CG2 VAL A 3 6.365 -17.817 8.851 1.00 53.52 C ATOM 0 H VAL A 3 8.137 -21.460 9.257 1.00 13.24 H new ATOM 0 HA VAL A 3 6.217 -20.152 7.477 1.00 14.44 H new ATOM 0 HB VAL A 3 6.040 -19.687 9.821 1.00 22.41 H new ATOM 0 HG11 VAL A 3 7.773 -18.454 11.065 1.00 33.11 H new ATOM 0 HG12 VAL A 3 8.301 -20.084 10.587 1.00 33.11 H new ATOM 0 HG13 VAL A 3 8.886 -18.661 9.693 1.00 33.11 H new ATOM 0 HG21 VAL A 3 6.161 -17.216 9.737 1.00 53.52 H new ATOM 0 HG22 VAL A 3 7.135 -17.331 8.252 1.00 53.52 H new ATOM 0 HG23 VAL A 3 5.454 -17.914 8.261 1.00 53.52 H new ATOM 53 N SER A 4 7.894 -19.045 5.973 1.00 41.03 N ATOM 54 CA SER A 4 8.876 -18.574 5.033 1.00 31.41 C ATOM 55 C SER A 4 9.418 -17.210 5.424 1.00 30.24 C ATOM 56 O SER A 4 8.851 -16.177 5.080 1.00 53.32 O ATOM 57 CB SER A 4 8.323 -18.590 3.596 1.00 32.53 C ATOM 58 OG SER A 4 7.119 -17.828 3.489 1.00 65.54 O ATOM 0 H SER A 4 6.927 -18.967 5.658 1.00 41.03 H new ATOM 0 HA SER A 4 9.719 -19.264 5.061 1.00 31.41 H new ATOM 0 HB2 SER A 4 9.071 -18.188 2.913 1.00 32.53 H new ATOM 0 HB3 SER A 4 8.132 -19.619 3.290 1.00 32.53 H new ATOM 0 HG SER A 4 7.222 -16.984 3.976 1.00 65.54 H new ATOM 64 N LEU A 5 10.491 -17.207 6.181 1.00 63.25 N ATOM 65 CA LEU A 5 11.084 -15.978 6.607 1.00 12.14 C ATOM 66 C LEU A 5 12.166 -15.549 5.658 1.00 22.32 C ATOM 67 O LEU A 5 13.361 -15.779 5.878 1.00 63.34 O ATOM 68 CB LEU A 5 11.579 -16.030 8.050 1.00 2.41 C ATOM 69 CG LEU A 5 10.510 -16.308 9.111 1.00 61.44 C ATOM 70 CD1 LEU A 5 11.130 -16.360 10.487 1.00 40.21 C ATOM 71 CD2 LEU A 5 9.405 -15.257 9.061 1.00 31.11 C ATOM 0 H LEU A 5 10.965 -18.048 6.510 1.00 63.25 H new ATOM 0 HA LEU A 5 10.300 -15.221 6.588 1.00 12.14 H new ATOM 0 HB2 LEU A 5 12.346 -16.801 8.124 1.00 2.41 H new ATOM 0 HB3 LEU A 5 12.058 -15.080 8.284 1.00 2.41 H new ATOM 0 HG LEU A 5 10.064 -17.279 8.895 1.00 61.44 H new ATOM 0 HD11 LEU A 5 10.355 -16.558 11.228 1.00 40.21 H new ATOM 0 HD12 LEU A 5 11.876 -17.154 10.520 1.00 40.21 H new ATOM 0 HD13 LEU A 5 11.607 -15.405 10.708 1.00 40.21 H new ATOM 0 HD21 LEU A 5 8.659 -15.477 9.824 1.00 31.11 H new ATOM 0 HD22 LEU A 5 9.832 -14.271 9.245 1.00 31.11 H new ATOM 0 HD23 LEU A 5 8.934 -15.271 8.078 1.00 31.11 H new ATOM 83 N SER A 6 11.735 -15.024 4.565 1.00 62.10 N ATOM 84 CA SER A 6 12.594 -14.475 3.579 1.00 40.52 C ATOM 85 C SER A 6 11.936 -13.242 3.018 1.00 74.04 C ATOM 86 O SER A 6 11.203 -13.298 2.028 1.00 53.32 O ATOM 87 CB SER A 6 12.914 -15.491 2.473 1.00 72.22 C ATOM 88 OG SER A 6 13.540 -16.660 3.015 1.00 14.23 O ATOM 0 H SER A 6 10.745 -14.964 4.327 1.00 62.10 H new ATOM 0 HA SER A 6 13.549 -14.212 4.034 1.00 40.52 H new ATOM 0 HB2 SER A 6 11.997 -15.772 1.956 1.00 72.22 H new ATOM 0 HB3 SER A 6 13.570 -15.033 1.732 1.00 72.22 H new ATOM 0 HG SER A 6 13.733 -17.293 2.292 1.00 14.23 H new ATOM 94 N TYR A 7 12.104 -12.158 3.723 1.00 2.14 N ATOM 95 CA TYR A 7 11.572 -10.899 3.316 1.00 12.31 C ATOM 96 C TYR A 7 12.631 -9.835 3.468 1.00 14.02 C ATOM 97 O TYR A 7 12.898 -9.370 4.577 1.00 10.10 O ATOM 98 CB TYR A 7 10.323 -10.509 4.138 1.00 24.43 C ATOM 99 CG TYR A 7 9.168 -11.491 4.065 1.00 71.22 C ATOM 100 CD1 TYR A 7 8.307 -11.509 2.974 1.00 43.33 C ATOM 101 CD2 TYR A 7 8.937 -12.394 5.094 1.00 72.12 C ATOM 102 CE1 TYR A 7 7.253 -12.402 2.913 1.00 43.55 C ATOM 103 CE2 TYR A 7 7.888 -13.285 5.038 1.00 60.15 C ATOM 104 CZ TYR A 7 7.049 -13.286 3.948 1.00 72.24 C ATOM 105 OH TYR A 7 6.001 -14.181 3.894 1.00 72.13 O ATOM 0 H TYR A 7 12.619 -12.129 4.603 1.00 2.14 H new ATOM 0 HA TYR A 7 11.269 -10.984 2.272 1.00 12.31 H new ATOM 0 HB2 TYR A 7 10.616 -10.394 5.182 1.00 24.43 H new ATOM 0 HB3 TYR A 7 9.973 -9.535 3.797 1.00 24.43 H new ATOM 0 HD1 TYR A 7 8.464 -10.815 2.162 1.00 43.33 H new ATOM 0 HD2 TYR A 7 9.591 -12.398 5.953 1.00 72.12 H new ATOM 0 HE1 TYR A 7 6.593 -12.406 2.058 1.00 43.55 H new ATOM 0 HE2 TYR A 7 7.725 -13.981 5.848 1.00 60.15 H new ATOM 0 HH TYR A 7 6.000 -14.733 4.704 1.00 72.13 H new ATOM 115 N ARG A 8 13.285 -9.507 2.378 1.00 54.55 N ATOM 116 CA ARG A 8 14.240 -8.412 2.376 1.00 42.22 C ATOM 117 C ARG A 8 13.491 -7.136 2.126 1.00 24.10 C ATOM 118 O ARG A 8 13.951 -6.034 2.441 1.00 61.53 O ATOM 119 CB ARG A 8 15.349 -8.601 1.331 1.00 72.33 C ATOM 120 CG ARG A 8 14.850 -8.769 -0.099 1.00 0.20 C ATOM 121 CD ARG A 8 16.001 -8.832 -1.090 1.00 32.04 C ATOM 122 NE ARG A 8 16.751 -7.570 -1.153 1.00 72.14 N ATOM 123 CZ ARG A 8 17.762 -7.317 -2.004 1.00 31.15 C ATOM 124 NH1 ARG A 8 18.195 -8.255 -2.847 1.00 33.21 N ATOM 125 NH2 ARG A 8 18.334 -6.129 -2.006 1.00 73.14 N ATOM 0 H ARG A 8 13.177 -9.979 1.480 1.00 54.55 H new ATOM 0 HA ARG A 8 14.738 -8.382 3.345 1.00 42.22 H new ATOM 0 HB2 ARG A 8 16.018 -7.741 1.370 1.00 72.33 H new ATOM 0 HB3 ARG A 8 15.940 -9.476 1.601 1.00 72.33 H new ATOM 0 HG2 ARG A 8 14.255 -9.680 -0.173 1.00 0.20 H new ATOM 0 HG3 ARG A 8 14.193 -7.938 -0.356 1.00 0.20 H new ATOM 0 HD2 ARG A 8 16.676 -9.640 -0.809 1.00 32.04 H new ATOM 0 HD3 ARG A 8 15.613 -9.071 -2.080 1.00 32.04 H new ATOM 0 HE ARG A 8 16.485 -6.830 -0.503 1.00 72.14 H new ATOM 0 HH11 ARG A 8 17.759 -9.177 -2.852 1.00 33.21 H new ATOM 0 HH12 ARG A 8 18.962 -8.050 -3.487 1.00 33.21 H new ATOM 0 HH21 ARG A 8 18.010 -5.406 -1.364 1.00 73.14 H new ATOM 0 HH22 ARG A 8 19.101 -5.933 -2.650 1.00 73.14 H new ATOM 139 N CYS A 9 12.313 -7.306 1.625 1.00 35.24 N ATOM 140 CA CYS A 9 11.450 -6.226 1.317 1.00 23.05 C ATOM 141 C CYS A 9 10.273 -6.287 2.275 1.00 34.44 C ATOM 142 O CYS A 9 9.777 -7.380 2.584 1.00 14.35 O ATOM 143 CB CYS A 9 10.948 -6.349 -0.130 1.00 2.43 C ATOM 144 SG CYS A 9 12.260 -6.423 -1.411 1.00 0.11 S ATOM 0 H CYS A 9 11.919 -8.223 1.415 1.00 35.24 H new ATOM 0 HA CYS A 9 11.979 -5.278 1.417 1.00 23.05 H new ATOM 0 HB2 CYS A 9 10.335 -7.246 -0.209 1.00 2.43 H new ATOM 0 HB3 CYS A 9 10.300 -5.500 -0.346 1.00 2.43 H new ATOM 149 N PRO A 10 9.847 -5.127 2.807 1.00 44.41 N ATOM 150 CA PRO A 10 8.716 -5.025 3.751 1.00 63.10 C ATOM 151 C PRO A 10 7.415 -5.641 3.230 1.00 5.40 C ATOM 152 O PRO A 10 6.567 -6.081 4.015 1.00 34.33 O ATOM 153 CB PRO A 10 8.538 -3.519 3.925 1.00 51.35 C ATOM 154 CG PRO A 10 9.881 -2.955 3.647 1.00 51.42 C ATOM 155 CD PRO A 10 10.473 -3.813 2.576 1.00 12.22 C ATOM 0 HA PRO A 10 8.929 -5.572 4.670 1.00 63.10 H new ATOM 0 HB2 PRO A 10 7.791 -3.125 3.236 1.00 51.35 H new ATOM 0 HB3 PRO A 10 8.204 -3.272 4.933 1.00 51.35 H new ATOM 0 HG2 PRO A 10 9.809 -1.917 3.321 1.00 51.42 H new ATOM 0 HG3 PRO A 10 10.502 -2.965 4.543 1.00 51.42 H new ATOM 0 HD2 PRO A 10 10.246 -3.429 1.582 1.00 12.22 H new ATOM 0 HD3 PRO A 10 11.559 -3.865 2.657 1.00 12.22 H new ATOM 163 N CYS A 11 7.244 -5.674 1.932 1.00 75.12 N ATOM 164 CA CYS A 11 6.035 -6.223 1.390 1.00 73.05 C ATOM 165 C CYS A 11 6.334 -7.308 0.365 1.00 1.11 C ATOM 166 O CYS A 11 7.347 -7.248 -0.354 1.00 73.30 O ATOM 167 CB CYS A 11 5.168 -5.135 0.777 1.00 2.43 C ATOM 168 SG CYS A 11 3.517 -5.722 0.328 1.00 23.42 S ATOM 0 H CYS A 11 7.916 -5.333 1.245 1.00 75.12 H new ATOM 0 HA CYS A 11 5.483 -6.677 2.213 1.00 73.05 H new ATOM 0 HB2 CYS A 11 5.075 -4.310 1.483 1.00 2.43 H new ATOM 0 HB3 CYS A 11 5.662 -4.741 -0.111 1.00 2.43 H new ATOM 173 N ARG A 12 5.455 -8.288 0.294 1.00 12.42 N ATOM 174 CA ARG A 12 5.608 -9.403 -0.598 1.00 71.22 C ATOM 175 C ARG A 12 4.820 -9.209 -1.889 1.00 30.04 C ATOM 176 O ARG A 12 5.345 -9.476 -2.978 1.00 35.34 O ATOM 177 CB ARG A 12 5.187 -10.712 0.097 1.00 62.42 C ATOM 178 CG ARG A 12 5.263 -11.995 -0.769 1.00 22.44 C ATOM 179 CD ARG A 12 6.687 -12.332 -1.238 1.00 3.01 C ATOM 180 NE ARG A 12 7.250 -11.323 -2.156 1.00 62.01 N ATOM 181 CZ ARG A 12 8.528 -11.249 -2.515 1.00 63.42 C ATOM 182 NH1 ARG A 12 9.398 -12.151 -2.074 1.00 32.43 N ATOM 183 NH2 ARG A 12 8.938 -10.263 -3.315 1.00 1.53 N ATOM 0 H ARG A 12 4.609 -8.326 0.862 1.00 12.42 H new ATOM 0 HA ARG A 12 6.663 -9.467 -0.864 1.00 71.22 H new ATOM 0 HB2 ARG A 12 5.817 -10.853 0.976 1.00 62.42 H new ATOM 0 HB3 ARG A 12 4.163 -10.598 0.453 1.00 62.42 H new ATOM 0 HG2 ARG A 12 4.869 -12.835 -0.196 1.00 22.44 H new ATOM 0 HG3 ARG A 12 4.620 -11.874 -1.641 1.00 22.44 H new ATOM 0 HD2 ARG A 12 7.337 -12.425 -0.368 1.00 3.01 H new ATOM 0 HD3 ARG A 12 6.679 -13.302 -1.735 1.00 3.01 H new ATOM 0 HE ARG A 12 6.610 -10.630 -2.544 1.00 62.01 H new ATOM 0 HH11 ARG A 12 9.086 -12.902 -1.459 1.00 32.43 H new ATOM 0 HH12 ARG A 12 10.378 -12.092 -2.351 1.00 32.43 H new ATOM 0 HH21 ARG A 12 8.271 -9.568 -3.650 1.00 1.53 H new ATOM 0 HH22 ARG A 12 9.918 -10.205 -3.591 1.00 1.53 H new ATOM 197 N PHE A 13 3.595 -8.758 -1.789 1.00 24.10 N ATOM 198 CA PHE A 13 2.767 -8.623 -2.971 1.00 1.20 C ATOM 199 C PHE A 13 2.083 -7.279 -2.994 1.00 31.30 C ATOM 200 O PHE A 13 1.753 -6.725 -1.957 1.00 62.33 O ATOM 201 CB PHE A 13 1.716 -9.760 -3.050 1.00 54.42 C ATOM 202 CG PHE A 13 0.666 -9.725 -1.960 1.00 30.43 C ATOM 203 CD1 PHE A 13 0.916 -10.258 -0.710 1.00 75.54 C ATOM 204 CD2 PHE A 13 -0.578 -9.156 -2.203 1.00 63.53 C ATOM 205 CE1 PHE A 13 -0.046 -10.219 0.279 1.00 4.51 C ATOM 206 CE2 PHE A 13 -1.538 -9.116 -1.221 1.00 33.43 C ATOM 207 CZ PHE A 13 -1.276 -9.645 0.022 1.00 60.11 C ATOM 0 H PHE A 13 3.149 -8.480 -0.915 1.00 24.10 H new ATOM 0 HA PHE A 13 3.418 -8.698 -3.842 1.00 1.20 H new ATOM 0 HB2 PHE A 13 1.218 -9.709 -4.018 1.00 54.42 H new ATOM 0 HB3 PHE A 13 2.233 -10.719 -3.007 1.00 54.42 H new ATOM 0 HD1 PHE A 13 1.875 -10.710 -0.504 1.00 75.54 H new ATOM 0 HD2 PHE A 13 -0.793 -8.740 -3.176 1.00 63.53 H new ATOM 0 HE1 PHE A 13 0.163 -10.637 1.253 1.00 4.51 H new ATOM 0 HE2 PHE A 13 -2.500 -8.669 -1.425 1.00 33.43 H new ATOM 0 HZ PHE A 13 -2.030 -9.612 0.795 1.00 60.11 H new ATOM 217 N PHE A 14 1.876 -6.762 -4.162 1.00 34.15 N ATOM 218 CA PHE A 14 1.185 -5.508 -4.314 1.00 20.44 C ATOM 219 C PHE A 14 -0.100 -5.807 -5.034 1.00 14.54 C ATOM 220 O PHE A 14 -0.130 -6.700 -5.890 1.00 0.42 O ATOM 221 CB PHE A 14 2.012 -4.542 -5.161 1.00 42.22 C ATOM 222 CG PHE A 14 3.452 -4.390 -4.744 1.00 45.03 C ATOM 223 CD1 PHE A 14 3.787 -4.090 -3.447 1.00 43.23 C ATOM 224 CD2 PHE A 14 4.470 -4.539 -5.670 1.00 14.01 C ATOM 225 CE1 PHE A 14 5.091 -3.944 -3.071 1.00 44.14 C ATOM 226 CE2 PHE A 14 5.789 -4.394 -5.299 1.00 72.31 C ATOM 227 CZ PHE A 14 6.101 -4.097 -3.997 1.00 74.33 C ATOM 0 H PHE A 14 2.177 -7.189 -5.038 1.00 34.15 H new ATOM 0 HA PHE A 14 1.011 -5.049 -3.341 1.00 20.44 H new ATOM 0 HB2 PHE A 14 1.985 -4.879 -6.197 1.00 42.22 H new ATOM 0 HB3 PHE A 14 1.537 -3.561 -5.132 1.00 42.22 H new ATOM 0 HD1 PHE A 14 3.006 -3.967 -2.712 1.00 43.23 H new ATOM 0 HD2 PHE A 14 4.227 -4.772 -6.696 1.00 14.01 H new ATOM 0 HE1 PHE A 14 5.332 -3.708 -2.045 1.00 44.14 H new ATOM 0 HE2 PHE A 14 6.574 -4.514 -6.031 1.00 72.31 H new ATOM 0 HZ PHE A 14 7.133 -3.984 -3.698 1.00 74.33 H new ATOM 237 N GLU A 15 -1.158 -5.127 -4.702 1.00 4.43 N ATOM 238 CA GLU A 15 -2.396 -5.369 -5.394 1.00 72.31 C ATOM 239 C GLU A 15 -2.470 -4.647 -6.725 1.00 33.34 C ATOM 240 O GLU A 15 -2.269 -3.434 -6.802 1.00 25.50 O ATOM 241 CB GLU A 15 -3.629 -5.150 -4.520 1.00 60.11 C ATOM 242 CG GLU A 15 -3.797 -6.235 -3.483 1.00 35.55 C ATOM 243 CD GLU A 15 -5.101 -6.172 -2.737 1.00 3.40 C ATOM 244 OE1 GLU A 15 -6.151 -6.513 -3.331 1.00 64.33 O ATOM 245 OE2 GLU A 15 -5.115 -5.805 -1.559 1.00 12.30 O ATOM 0 H GLU A 15 -1.194 -4.415 -3.973 1.00 4.43 H new ATOM 0 HA GLU A 15 -2.402 -6.433 -5.631 1.00 72.31 H new ATOM 0 HB2 GLU A 15 -3.551 -4.184 -4.022 1.00 60.11 H new ATOM 0 HB3 GLU A 15 -4.517 -5.113 -5.151 1.00 60.11 H new ATOM 0 HG2 GLU A 15 -3.716 -7.206 -3.972 1.00 35.55 H new ATOM 0 HG3 GLU A 15 -2.977 -6.169 -2.767 1.00 35.55 H new ATOM 252 N SER A 16 -2.739 -5.417 -7.775 1.00 24.32 N ATOM 253 CA SER A 16 -2.807 -4.898 -9.133 1.00 41.44 C ATOM 254 C SER A 16 -4.166 -4.263 -9.414 1.00 54.01 C ATOM 255 O SER A 16 -4.394 -3.709 -10.491 1.00 4.13 O ATOM 256 CB SER A 16 -2.547 -6.022 -10.138 1.00 61.11 C ATOM 257 OG SER A 16 -1.292 -6.647 -9.903 1.00 23.35 O ATOM 0 H SER A 16 -2.916 -6.419 -7.706 1.00 24.32 H new ATOM 0 HA SER A 16 -2.041 -4.130 -9.238 1.00 41.44 H new ATOM 0 HB2 SER A 16 -3.343 -6.764 -10.071 1.00 61.11 H new ATOM 0 HB3 SER A 16 -2.571 -5.620 -11.151 1.00 61.11 H new ATOM 0 HG SER A 16 -1.155 -7.362 -10.559 1.00 23.35 H new ATOM 263 N HIS A 17 -5.061 -4.365 -8.470 1.00 54.42 N ATOM 264 CA HIS A 17 -6.354 -3.761 -8.596 1.00 54.41 C ATOM 265 C HIS A 17 -6.813 -3.332 -7.223 1.00 45.12 C ATOM 266 O HIS A 17 -7.217 -4.158 -6.417 1.00 52.21 O ATOM 267 CB HIS A 17 -7.361 -4.750 -9.225 1.00 3.34 C ATOM 268 CG HIS A 17 -8.711 -4.157 -9.552 1.00 1.03 C ATOM 269 ND1 HIS A 17 -9.177 -4.031 -10.835 1.00 73.43 N ATOM 270 CD2 HIS A 17 -9.703 -3.692 -8.756 1.00 45.35 C ATOM 271 CE1 HIS A 17 -10.385 -3.518 -10.818 1.00 12.44 C ATOM 272 NE2 HIS A 17 -10.731 -3.302 -9.570 1.00 52.23 N ATOM 0 H HIS A 17 -4.913 -4.868 -7.595 1.00 54.42 H new ATOM 0 HA HIS A 17 -6.295 -2.894 -9.254 1.00 54.41 H new ATOM 0 HB2 HIS A 17 -6.927 -5.156 -10.139 1.00 3.34 H new ATOM 0 HB3 HIS A 17 -7.503 -5.586 -8.541 1.00 3.34 H new ATOM 0 HD2 HIS A 17 -9.686 -3.639 -7.677 1.00 45.35 H new ATOM 0 HE1 HIS A 17 -10.993 -3.309 -11.686 1.00 12.44 H new ATOM 0 HE2 HIS A 17 -11.619 -2.909 -9.259 1.00 52.23 H new ATOM 281 N VAL A 18 -6.705 -2.064 -6.952 1.00 62.31 N ATOM 282 CA VAL A 18 -7.111 -1.514 -5.673 1.00 0.14 C ATOM 283 C VAL A 18 -8.121 -0.419 -5.933 1.00 32.24 C ATOM 284 O VAL A 18 -8.006 0.303 -6.938 1.00 64.12 O ATOM 285 CB VAL A 18 -5.895 -0.928 -4.899 1.00 51.31 C ATOM 286 CG1 VAL A 18 -6.313 -0.400 -3.521 1.00 13.15 C ATOM 287 CG2 VAL A 18 -4.796 -1.973 -4.751 1.00 44.42 C ATOM 0 H VAL A 18 -6.334 -1.374 -7.606 1.00 62.31 H new ATOM 0 HA VAL A 18 -7.543 -2.306 -5.062 1.00 0.14 H new ATOM 0 HB VAL A 18 -5.507 -0.091 -5.480 1.00 51.31 H new ATOM 0 HG11 VAL A 18 -5.441 0.003 -3.006 1.00 13.15 H new ATOM 0 HG12 VAL A 18 -7.057 0.387 -3.643 1.00 13.15 H new ATOM 0 HG13 VAL A 18 -6.738 -1.214 -2.933 1.00 13.15 H new ATOM 0 HG21 VAL A 18 -3.955 -1.542 -4.207 1.00 44.42 H new ATOM 0 HG22 VAL A 18 -5.182 -2.832 -4.202 1.00 44.42 H new ATOM 0 HG23 VAL A 18 -4.463 -2.294 -5.738 1.00 44.42 H new ATOM 297 N ALA A 19 -9.100 -0.293 -5.071 1.00 73.41 N ATOM 298 CA ALA A 19 -10.111 0.679 -5.248 1.00 4.21 C ATOM 299 C ALA A 19 -9.768 1.901 -4.444 1.00 1.02 C ATOM 300 O ALA A 19 -9.527 1.814 -3.240 1.00 14.33 O ATOM 301 CB ALA A 19 -11.461 0.119 -4.827 1.00 13.01 C ATOM 0 H ALA A 19 -9.204 -0.867 -4.234 1.00 73.41 H new ATOM 0 HA ALA A 19 -10.174 0.952 -6.301 1.00 4.21 H new ATOM 0 HB1 ALA A 19 -12.230 0.878 -4.969 1.00 13.01 H new ATOM 0 HB2 ALA A 19 -11.698 -0.755 -5.434 1.00 13.01 H new ATOM 0 HB3 ALA A 19 -11.424 -0.168 -3.776 1.00 13.01 H new ATOM 307 N ARG A 20 -9.746 3.044 -5.094 1.00 32.05 N ATOM 308 CA ARG A 20 -9.479 4.294 -4.419 1.00 31.44 C ATOM 309 C ARG A 20 -10.659 4.656 -3.520 1.00 34.34 C ATOM 310 O ARG A 20 -10.549 5.458 -2.590 1.00 11.11 O ATOM 311 CB ARG A 20 -9.156 5.393 -5.424 1.00 32.13 C ATOM 312 CG ARG A 20 -8.862 6.747 -4.804 1.00 0.44 C ATOM 313 CD ARG A 20 -8.340 7.714 -5.830 1.00 15.41 C ATOM 314 NE ARG A 20 -8.177 9.062 -5.279 1.00 24.55 N ATOM 315 CZ ARG A 20 -7.562 10.084 -5.892 1.00 61.20 C ATOM 316 NH1 ARG A 20 -7.071 9.943 -7.119 1.00 65.40 N ATOM 317 NH2 ARG A 20 -7.471 11.256 -5.285 1.00 3.13 N ATOM 0 H ARG A 20 -9.911 3.133 -6.097 1.00 32.05 H new ATOM 0 HA ARG A 20 -8.600 4.184 -3.785 1.00 31.44 H new ATOM 0 HB2 ARG A 20 -8.295 5.084 -6.017 1.00 32.13 H new ATOM 0 HB3 ARG A 20 -9.995 5.497 -6.112 1.00 32.13 H new ATOM 0 HG2 ARG A 20 -9.769 7.147 -4.352 1.00 0.44 H new ATOM 0 HG3 ARG A 20 -8.131 6.632 -4.004 1.00 0.44 H new ATOM 0 HD2 ARG A 20 -7.382 7.359 -6.209 1.00 15.41 H new ATOM 0 HD3 ARG A 20 -9.025 7.749 -6.677 1.00 15.41 H new ATOM 0 HE ARG A 20 -8.564 9.238 -4.352 1.00 24.55 H new ATOM 0 HH11 ARG A 20 -7.160 9.050 -7.604 1.00 65.40 H new ATOM 0 HH12 ARG A 20 -6.605 10.727 -7.575 1.00 65.40 H new ATOM 0 HH21 ARG A 20 -7.868 11.380 -4.354 1.00 3.13 H new ATOM 0 HH22 ARG A 20 -7.004 12.035 -5.748 1.00 3.13 H new ATOM 331 N ALA A 21 -11.779 4.046 -3.793 1.00 75.11 N ATOM 332 CA ALA A 21 -12.949 4.195 -2.964 1.00 22.44 C ATOM 333 C ALA A 21 -12.801 3.347 -1.696 1.00 21.32 C ATOM 334 O ALA A 21 -13.609 3.445 -0.767 1.00 35.44 O ATOM 335 CB ALA A 21 -14.198 3.793 -3.731 1.00 31.33 C ATOM 0 H ALA A 21 -11.909 3.431 -4.596 1.00 75.11 H new ATOM 0 HA ALA A 21 -13.047 5.242 -2.677 1.00 22.44 H new ATOM 0 HB1 ALA A 21 -15.072 3.911 -3.091 1.00 31.33 H new ATOM 0 HB2 ALA A 21 -14.304 4.427 -4.611 1.00 31.33 H new ATOM 0 HB3 ALA A 21 -14.115 2.752 -4.042 1.00 31.33 H new ATOM 341 N ASN A 22 -11.771 2.507 -1.658 1.00 61.22 N ATOM 342 CA ASN A 22 -11.531 1.675 -0.511 1.00 45.11 C ATOM 343 C ASN A 22 -10.183 2.020 0.142 1.00 31.41 C ATOM 344 O ASN A 22 -9.756 1.370 1.062 1.00 21.40 O ATOM 345 CB ASN A 22 -11.574 0.210 -0.925 1.00 24.43 C ATOM 346 CG ASN A 22 -11.522 -0.759 0.248 1.00 63.12 C ATOM 347 OD1 ASN A 22 -12.016 -0.481 1.360 1.00 41.44 O ATOM 348 ND2 ASN A 22 -10.918 -1.866 0.021 1.00 54.41 N ATOM 0 H ASN A 22 -11.096 2.393 -2.414 1.00 61.22 H new ATOM 0 HA ASN A 22 -12.312 1.857 0.228 1.00 45.11 H new ATOM 0 HB2 ASN A 22 -12.486 0.029 -1.494 1.00 24.43 H new ATOM 0 HB3 ASN A 22 -10.736 0.005 -1.592 1.00 24.43 H new ATOM 0 HD21 ASN A 22 -10.827 -2.559 0.764 1.00 54.41 H new ATOM 0 HD22 ASN A 22 -10.528 -2.054 -0.903 1.00 54.41 H new ATOM 355 N VAL A 23 -9.530 3.067 -0.315 1.00 32.30 N ATOM 356 CA VAL A 23 -8.251 3.429 0.279 1.00 54.42 C ATOM 357 C VAL A 23 -8.438 4.414 1.440 1.00 73.14 C ATOM 358 O VAL A 23 -9.029 5.489 1.291 1.00 70.21 O ATOM 359 CB VAL A 23 -7.212 3.970 -0.758 1.00 32.42 C ATOM 360 CG1 VAL A 23 -7.664 5.262 -1.420 1.00 45.14 C ATOM 361 CG2 VAL A 23 -5.865 4.153 -0.099 1.00 31.02 C ATOM 0 H VAL A 23 -9.847 3.670 -1.074 1.00 32.30 H new ATOM 0 HA VAL A 23 -7.830 2.504 0.672 1.00 54.42 H new ATOM 0 HB VAL A 23 -7.129 3.225 -1.549 1.00 32.42 H new ATOM 0 HG11 VAL A 23 -6.905 5.592 -2.130 1.00 45.14 H new ATOM 0 HG12 VAL A 23 -8.603 5.092 -1.946 1.00 45.14 H new ATOM 0 HG13 VAL A 23 -7.808 6.030 -0.660 1.00 45.14 H new ATOM 0 HG21 VAL A 23 -5.150 4.530 -0.831 1.00 31.02 H new ATOM 0 HG22 VAL A 23 -5.955 4.866 0.721 1.00 31.02 H new ATOM 0 HG23 VAL A 23 -5.517 3.196 0.289 1.00 31.02 H new ATOM 371 N LYS A 24 -7.974 4.010 2.593 1.00 23.33 N ATOM 372 CA LYS A 24 -8.027 4.811 3.789 1.00 33.21 C ATOM 373 C LYS A 24 -6.848 5.763 3.815 1.00 41.13 C ATOM 374 O LYS A 24 -7.015 6.985 3.772 1.00 61.43 O ATOM 375 CB LYS A 24 -8.013 3.904 5.034 1.00 21.34 C ATOM 376 CG LYS A 24 -8.006 4.639 6.369 1.00 53.21 C ATOM 377 CD LYS A 24 -9.236 5.504 6.528 1.00 50.32 C ATOM 378 CE LYS A 24 -9.250 6.219 7.867 1.00 65.01 C ATOM 379 NZ LYS A 24 -10.449 7.063 8.023 1.00 42.32 N ATOM 0 H LYS A 24 -7.540 3.097 2.731 1.00 23.33 H new ATOM 0 HA LYS A 24 -8.950 5.390 3.795 1.00 33.21 H new ATOM 0 HB2 LYS A 24 -8.886 3.253 5.000 1.00 21.34 H new ATOM 0 HB3 LYS A 24 -7.134 3.261 4.986 1.00 21.34 H new ATOM 0 HG2 LYS A 24 -7.959 3.916 7.184 1.00 53.21 H new ATOM 0 HG3 LYS A 24 -7.112 5.258 6.441 1.00 53.21 H new ATOM 0 HD2 LYS A 24 -9.271 6.238 5.723 1.00 50.32 H new ATOM 0 HD3 LYS A 24 -10.130 4.887 6.436 1.00 50.32 H new ATOM 0 HE2 LYS A 24 -9.215 5.485 8.672 1.00 65.01 H new ATOM 0 HE3 LYS A 24 -8.356 6.836 7.959 1.00 65.01 H new ATOM 0 HZ1 LYS A 24 -10.423 7.535 8.949 1.00 42.32 H new ATOM 0 HZ2 LYS A 24 -10.469 7.780 7.270 1.00 42.32 H new ATOM 0 HZ3 LYS A 24 -11.301 6.470 7.960 1.00 42.32 H new ATOM 393 N HIS A 25 -5.657 5.215 3.858 1.00 21.22 N ATOM 394 CA HIS A 25 -4.487 6.045 3.892 1.00 53.41 C ATOM 395 C HIS A 25 -3.434 5.515 2.972 1.00 11.42 C ATOM 396 O HIS A 25 -3.259 4.294 2.866 1.00 23.14 O ATOM 397 CB HIS A 25 -3.923 6.280 5.341 1.00 22.11 C ATOM 398 CG HIS A 25 -3.276 5.133 6.086 1.00 71.05 C ATOM 399 ND1 HIS A 25 -2.424 5.332 7.154 1.00 55.24 N ATOM 400 CD2 HIS A 25 -3.360 3.811 5.935 1.00 52.34 C ATOM 401 CE1 HIS A 25 -2.024 4.170 7.619 1.00 40.52 C ATOM 402 NE2 HIS A 25 -2.578 3.228 6.896 1.00 51.34 N ATOM 0 H HIS A 25 -5.478 4.211 3.870 1.00 21.22 H new ATOM 0 HA HIS A 25 -4.797 7.028 3.538 1.00 53.41 H new ATOM 0 HB2 HIS A 25 -3.189 7.084 5.279 1.00 22.11 H new ATOM 0 HB3 HIS A 25 -4.745 6.646 5.956 1.00 22.11 H new ATOM 0 HD2 HIS A 25 -3.942 3.292 5.187 1.00 52.34 H new ATOM 0 HE1 HIS A 25 -1.355 4.018 8.453 1.00 40.52 H new ATOM 0 HE2 HIS A 25 -2.448 2.225 7.028 1.00 51.34 H new ATOM 411 N LEU A 26 -2.764 6.414 2.308 1.00 32.34 N ATOM 412 CA LEU A 26 -1.675 6.075 1.434 1.00 61.34 C ATOM 413 C LEU A 26 -0.403 6.242 2.195 1.00 72.33 C ATOM 414 O LEU A 26 -0.195 7.263 2.861 1.00 63.25 O ATOM 415 CB LEU A 26 -1.615 6.977 0.171 1.00 52.13 C ATOM 416 CG LEU A 26 -2.716 6.835 -0.903 1.00 21.31 C ATOM 417 CD1 LEU A 26 -2.777 5.420 -1.444 1.00 53.45 C ATOM 418 CD2 LEU A 26 -4.076 7.311 -0.404 1.00 15.03 C ATOM 0 H LEU A 26 -2.960 7.414 2.358 1.00 32.34 H new ATOM 0 HA LEU A 26 -1.823 5.049 1.097 1.00 61.34 H new ATOM 0 HB2 LEU A 26 -1.615 8.014 0.507 1.00 52.13 H new ATOM 0 HB3 LEU A 26 -0.656 6.799 -0.315 1.00 52.13 H new ATOM 0 HG LEU A 26 -2.444 7.492 -1.729 1.00 21.31 H new ATOM 0 HD11 LEU A 26 -3.561 5.352 -2.198 1.00 53.45 H new ATOM 0 HD12 LEU A 26 -1.818 5.161 -1.893 1.00 53.45 H new ATOM 0 HD13 LEU A 26 -2.995 4.728 -0.630 1.00 53.45 H new ATOM 0 HD21 LEU A 26 -4.816 7.191 -1.195 1.00 15.03 H new ATOM 0 HD22 LEU A 26 -4.372 6.721 0.463 1.00 15.03 H new ATOM 0 HD23 LEU A 26 -4.013 8.362 -0.123 1.00 15.03 H new ATOM 430 N LYS A 27 0.414 5.264 2.138 1.00 32.11 N ATOM 431 CA LYS A 27 1.668 5.299 2.791 1.00 24.41 C ATOM 432 C LYS A 27 2.668 4.737 1.802 1.00 73.42 C ATOM 433 O LYS A 27 2.499 3.645 1.331 1.00 41.53 O ATOM 434 CB LYS A 27 1.565 4.378 4.029 1.00 63.03 C ATOM 435 CG LYS A 27 2.737 4.425 4.996 1.00 34.41 C ATOM 436 CD LYS A 27 2.813 5.765 5.721 1.00 25.51 C ATOM 437 CE LYS A 27 1.545 6.033 6.545 1.00 22.13 C ATOM 438 NZ LYS A 27 1.626 7.304 7.291 1.00 45.52 N ATOM 0 H LYS A 27 0.230 4.400 1.628 1.00 32.11 H new ATOM 0 HA LYS A 27 1.964 6.299 3.108 1.00 24.41 H new ATOM 0 HB2 LYS A 27 0.658 4.638 4.576 1.00 63.03 H new ATOM 0 HB3 LYS A 27 1.446 3.351 3.684 1.00 63.03 H new ATOM 0 HG2 LYS A 27 2.640 3.621 5.725 1.00 34.41 H new ATOM 0 HG3 LYS A 27 3.666 4.252 4.452 1.00 34.41 H new ATOM 0 HD2 LYS A 27 3.683 5.776 6.377 1.00 25.51 H new ATOM 0 HD3 LYS A 27 2.952 6.565 4.994 1.00 25.51 H new ATOM 0 HE2 LYS A 27 0.680 6.057 5.882 1.00 22.13 H new ATOM 0 HE3 LYS A 27 1.387 5.212 7.244 1.00 22.13 H new ATOM 0 HZ1 LYS A 27 0.750 7.445 7.833 1.00 45.52 H new ATOM 0 HZ2 LYS A 27 2.435 7.273 7.943 1.00 45.52 H new ATOM 0 HZ3 LYS A 27 1.750 8.091 6.623 1.00 45.52 H new ATOM 452 N ILE A 28 3.677 5.461 1.469 1.00 32.34 N ATOM 453 CA ILE A 28 4.633 4.940 0.517 1.00 21.51 C ATOM 454 C ILE A 28 5.965 4.751 1.185 1.00 11.05 C ATOM 455 O ILE A 28 6.496 5.678 1.796 1.00 31.21 O ATOM 456 CB ILE A 28 4.760 5.811 -0.764 1.00 61.42 C ATOM 457 CG1 ILE A 28 3.390 5.941 -1.449 1.00 2.22 C ATOM 458 CG2 ILE A 28 5.751 5.169 -1.721 1.00 11.02 C ATOM 459 CD1 ILE A 28 3.400 6.723 -2.752 1.00 10.01 C ATOM 0 H ILE A 28 3.873 6.397 1.824 1.00 32.34 H new ATOM 0 HA ILE A 28 4.259 3.974 0.178 1.00 21.51 H new ATOM 0 HB ILE A 28 5.115 6.804 -0.487 1.00 61.42 H new ATOM 0 HG12 ILE A 28 3.001 4.942 -1.644 1.00 2.22 H new ATOM 0 HG13 ILE A 28 2.698 6.423 -0.758 1.00 2.22 H new ATOM 0 HG21 ILE A 28 5.839 5.781 -2.619 1.00 11.02 H new ATOM 0 HG22 ILE A 28 6.725 5.091 -1.238 1.00 11.02 H new ATOM 0 HG23 ILE A 28 5.401 4.173 -1.994 1.00 11.02 H new ATOM 0 HD11 ILE A 28 2.390 6.761 -3.161 1.00 10.01 H new ATOM 0 HD12 ILE A 28 3.755 7.737 -2.565 1.00 10.01 H new ATOM 0 HD13 ILE A 28 4.062 6.233 -3.466 1.00 10.01 H new ATOM 471 N LEU A 29 6.489 3.558 1.087 1.00 64.42 N ATOM 472 CA LEU A 29 7.697 3.196 1.761 1.00 72.22 C ATOM 473 C LEU A 29 8.835 2.887 0.786 1.00 4.42 C ATOM 474 O LEU A 29 8.779 1.905 0.021 1.00 35.31 O ATOM 475 CB LEU A 29 7.429 1.979 2.650 1.00 74.21 C ATOM 476 CG LEU A 29 8.607 1.455 3.471 1.00 53.20 C ATOM 477 CD1 LEU A 29 9.114 2.512 4.443 1.00 24.23 C ATOM 478 CD2 LEU A 29 8.205 0.203 4.211 1.00 35.10 C ATOM 0 H LEU A 29 6.082 2.807 0.531 1.00 64.42 H new ATOM 0 HA LEU A 29 8.013 4.047 2.365 1.00 72.22 H new ATOM 0 HB2 LEU A 29 6.621 2.231 3.337 1.00 74.21 H new ATOM 0 HB3 LEU A 29 7.068 1.168 2.017 1.00 74.21 H new ATOM 0 HG LEU A 29 9.421 1.215 2.787 1.00 53.20 H new ATOM 0 HD11 LEU A 29 9.952 2.110 5.013 1.00 24.23 H new ATOM 0 HD12 LEU A 29 9.441 3.390 3.887 1.00 24.23 H new ATOM 0 HD13 LEU A 29 8.312 2.793 5.126 1.00 24.23 H new ATOM 0 HD21 LEU A 29 9.051 -0.163 4.793 1.00 35.10 H new ATOM 0 HD22 LEU A 29 7.374 0.427 4.880 1.00 35.10 H new ATOM 0 HD23 LEU A 29 7.900 -0.560 3.495 1.00 35.10 H new ATOM 490 N ASN A 30 9.847 3.714 0.804 1.00 50.11 N ATOM 491 CA ASN A 30 11.050 3.437 0.048 1.00 73.31 C ATOM 492 C ASN A 30 11.956 2.599 0.922 1.00 64.14 C ATOM 493 O ASN A 30 12.116 2.870 2.113 1.00 21.24 O ATOM 494 CB ASN A 30 11.758 4.716 -0.459 1.00 24.11 C ATOM 495 CG ASN A 30 12.152 5.685 0.636 1.00 45.30 C ATOM 496 OD1 ASN A 30 13.243 5.598 1.207 1.00 73.12 O ATOM 497 ND2 ASN A 30 11.288 6.623 0.915 1.00 3.30 N ATOM 0 H ASN A 30 9.867 4.586 1.332 1.00 50.11 H new ATOM 0 HA ASN A 30 10.785 2.893 -0.859 1.00 73.31 H new ATOM 0 HB2 ASN A 30 12.652 4.428 -1.012 1.00 24.11 H new ATOM 0 HB3 ASN A 30 11.100 5.227 -1.161 1.00 24.11 H new ATOM 0 HD21 ASN A 30 11.504 7.319 1.628 1.00 3.30 H new ATOM 0 HD22 ASN A 30 10.397 6.660 0.420 1.00 3.30 H new ATOM 504 N THR A 31 12.492 1.567 0.368 1.00 12.15 N ATOM 505 CA THR A 31 13.225 0.604 1.145 1.00 54.55 C ATOM 506 C THR A 31 14.750 0.790 0.990 1.00 31.22 C ATOM 507 O THR A 31 15.216 1.192 -0.065 1.00 41.32 O ATOM 508 CB THR A 31 12.806 -0.788 0.666 1.00 22.12 C ATOM 509 OG1 THR A 31 11.388 -0.827 0.641 1.00 11.22 O ATOM 510 CG2 THR A 31 13.283 -1.874 1.604 1.00 32.13 C ATOM 0 H THR A 31 12.441 1.359 -0.629 1.00 12.15 H new ATOM 0 HA THR A 31 12.998 0.736 2.203 1.00 54.55 H new ATOM 0 HB THR A 31 13.246 -0.964 -0.316 1.00 22.12 H new ATOM 0 HG1 THR A 31 11.087 -1.259 -0.186 1.00 11.22 H new ATOM 0 HG21 THR A 31 12.964 -2.846 1.227 1.00 32.13 H new ATOM 0 HG22 THR A 31 14.371 -1.848 1.667 1.00 32.13 H new ATOM 0 HG23 THR A 31 12.858 -1.712 2.595 1.00 32.13 H new ATOM 518 N PRO A 32 15.530 0.546 2.079 1.00 40.53 N ATOM 519 CA PRO A 32 17.005 0.589 2.050 1.00 43.32 C ATOM 520 C PRO A 32 17.609 -0.298 0.963 1.00 41.42 C ATOM 521 O PRO A 32 18.511 0.112 0.243 1.00 34.22 O ATOM 522 CB PRO A 32 17.368 -0.001 3.416 1.00 40.24 C ATOM 523 CG PRO A 32 16.263 0.429 4.293 1.00 25.24 C ATOM 524 CD PRO A 32 15.036 0.271 3.458 1.00 51.44 C ATOM 0 HA PRO A 32 17.376 1.594 1.848 1.00 43.32 H new ATOM 0 HB2 PRO A 32 17.445 -1.087 3.374 1.00 40.24 H new ATOM 0 HB3 PRO A 32 18.328 0.373 3.771 1.00 40.24 H new ATOM 0 HG2 PRO A 32 16.211 -0.183 5.194 1.00 25.24 H new ATOM 0 HG3 PRO A 32 16.392 1.462 4.616 1.00 25.24 H new ATOM 0 HD2 PRO A 32 14.616 -0.731 3.544 1.00 51.44 H new ATOM 0 HD3 PRO A 32 14.254 0.971 3.753 1.00 51.44 H new ATOM 532 N ASN A 33 17.105 -1.507 0.851 1.00 43.01 N ATOM 533 CA ASN A 33 17.685 -2.477 -0.075 1.00 10.03 C ATOM 534 C ASN A 33 16.717 -2.894 -1.194 1.00 64.44 C ATOM 535 O ASN A 33 17.118 -3.553 -2.147 1.00 33.21 O ATOM 536 CB ASN A 33 18.202 -3.705 0.688 1.00 73.00 C ATOM 537 CG ASN A 33 17.103 -4.487 1.371 1.00 63.44 C ATOM 538 OD1 ASN A 33 16.545 -5.416 0.796 1.00 31.03 O ATOM 539 ND2 ASN A 33 16.785 -4.116 2.604 1.00 70.43 N ATOM 0 H ASN A 33 16.303 -1.848 1.380 1.00 43.01 H new ATOM 0 HA ASN A 33 18.524 -1.982 -0.565 1.00 10.03 H new ATOM 0 HB2 ASN A 33 18.729 -4.361 -0.006 1.00 73.00 H new ATOM 0 HB3 ASN A 33 18.927 -3.382 1.435 1.00 73.00 H new ATOM 0 HD21 ASN A 33 16.051 -4.609 3.112 1.00 70.43 H new ATOM 0 HD22 ASN A 33 17.275 -3.337 3.045 1.00 70.43 H new ATOM 546 N CYS A 34 15.465 -2.515 -1.086 1.00 24.20 N ATOM 547 CA CYS A 34 14.487 -2.817 -2.100 1.00 33.45 C ATOM 548 C CYS A 34 14.063 -1.518 -2.735 1.00 12.35 C ATOM 549 O CYS A 34 14.459 -0.459 -2.267 1.00 44.22 O ATOM 550 CB CYS A 34 13.292 -3.551 -1.494 1.00 33.31 C ATOM 551 SG CYS A 34 13.707 -5.160 -0.750 1.00 20.35 S ATOM 0 H CYS A 34 15.098 -1.989 -0.293 1.00 24.20 H new ATOM 0 HA CYS A 34 14.915 -3.475 -2.856 1.00 33.45 H new ATOM 0 HB2 CYS A 34 12.838 -2.917 -0.732 1.00 33.31 H new ATOM 0 HB3 CYS A 34 12.542 -3.704 -2.270 1.00 33.31 H new ATOM 556 N ALA A 35 13.277 -1.576 -3.774 1.00 25.12 N ATOM 557 CA ALA A 35 12.923 -0.378 -4.483 1.00 51.12 C ATOM 558 C ALA A 35 11.877 0.472 -3.763 1.00 5.03 C ATOM 559 O ALA A 35 12.221 1.350 -2.953 1.00 5.43 O ATOM 560 CB ALA A 35 12.516 -0.678 -5.916 1.00 23.20 C ATOM 0 H ALA A 35 12.871 -2.434 -4.147 1.00 25.12 H new ATOM 0 HA ALA A 35 13.827 0.230 -4.511 1.00 51.12 H new ATOM 0 HB1 ALA A 35 12.255 0.251 -6.422 1.00 23.20 H new ATOM 0 HB2 ALA A 35 13.346 -1.155 -6.438 1.00 23.20 H new ATOM 0 HB3 ALA A 35 11.655 -1.346 -5.917 1.00 23.20 H new ATOM 566 N LEU A 36 10.630 0.180 -3.991 1.00 15.02 N ATOM 567 CA LEU A 36 9.581 1.038 -3.518 1.00 40.41 C ATOM 568 C LEU A 36 8.310 0.226 -3.287 1.00 5.41 C ATOM 569 O LEU A 36 7.831 -0.463 -4.190 1.00 53.41 O ATOM 570 CB LEU A 36 9.374 2.158 -4.600 1.00 52.33 C ATOM 571 CG LEU A 36 8.421 3.349 -4.313 1.00 63.21 C ATOM 572 CD1 LEU A 36 6.961 2.934 -4.220 1.00 61.21 C ATOM 573 CD2 LEU A 36 8.860 4.096 -3.064 1.00 43.31 C ATOM 0 H LEU A 36 10.314 -0.645 -4.501 1.00 15.02 H new ATOM 0 HA LEU A 36 9.839 1.497 -2.564 1.00 40.41 H new ATOM 0 HB2 LEU A 36 10.355 2.575 -4.826 1.00 52.33 H new ATOM 0 HB3 LEU A 36 9.018 1.670 -5.508 1.00 52.33 H new ATOM 0 HG LEU A 36 8.491 4.021 -5.168 1.00 63.21 H new ATOM 0 HD11 LEU A 36 6.346 3.811 -4.018 1.00 61.21 H new ATOM 0 HD12 LEU A 36 6.651 2.482 -5.162 1.00 61.21 H new ATOM 0 HD13 LEU A 36 6.839 2.211 -3.413 1.00 61.21 H new ATOM 0 HD21 LEU A 36 8.180 4.927 -2.879 1.00 43.31 H new ATOM 0 HD22 LEU A 36 8.845 3.418 -2.210 1.00 43.31 H new ATOM 0 HD23 LEU A 36 9.871 4.479 -3.205 1.00 43.31 H new ATOM 585 N GLN A 37 7.791 0.282 -2.071 1.00 4.41 N ATOM 586 CA GLN A 37 6.525 -0.354 -1.756 1.00 13.44 C ATOM 587 C GLN A 37 5.504 0.691 -1.390 1.00 54.15 C ATOM 588 O GLN A 37 5.780 1.577 -0.597 1.00 41.31 O ATOM 589 CB GLN A 37 6.589 -1.378 -0.587 1.00 55.24 C ATOM 590 CG GLN A 37 7.297 -2.721 -0.831 1.00 32.21 C ATOM 591 CD GLN A 37 8.783 -2.746 -0.687 1.00 11.10 C ATOM 592 OE1 GLN A 37 9.424 -1.708 -0.988 1.00 3.12 O flip ATOM 593 NE2 GLN A 37 9.339 -3.756 -0.314 1.00 45.30 N flip ATOM 0 H GLN A 37 8.229 0.763 -1.285 1.00 4.41 H new ATOM 0 HA GLN A 37 6.252 -0.903 -2.657 1.00 13.44 H new ATOM 0 HB2 GLN A 37 7.081 -0.891 0.255 1.00 55.24 H new ATOM 0 HB3 GLN A 37 5.566 -1.593 -0.277 1.00 55.24 H new ATOM 0 HG2 GLN A 37 6.879 -3.454 -0.141 1.00 32.21 H new ATOM 0 HG3 GLN A 37 7.050 -3.055 -1.839 1.00 32.21 H new ATOM 0 HE21 GLN A 37 8.790 -4.582 -0.077 1.00 45.30 H new ATOM 0 HE22 GLN A 37 10.356 -3.780 -0.237 1.00 45.30 H new ATOM 602 N ILE A 38 4.346 0.603 -1.963 1.00 42.41 N ATOM 603 CA ILE A 38 3.268 1.472 -1.581 1.00 62.54 C ATOM 604 C ILE A 38 2.373 0.676 -0.668 1.00 51.24 C ATOM 605 O ILE A 38 2.089 -0.477 -0.943 1.00 30.22 O ATOM 606 CB ILE A 38 2.450 1.957 -2.806 1.00 5.00 C ATOM 607 CG1 ILE A 38 3.347 2.714 -3.789 1.00 60.42 C ATOM 608 CG2 ILE A 38 1.258 2.826 -2.370 1.00 74.33 C ATOM 609 CD1 ILE A 38 2.637 3.154 -5.046 1.00 2.21 C ATOM 0 H ILE A 38 4.118 -0.063 -2.701 1.00 42.41 H new ATOM 0 HA ILE A 38 3.670 2.361 -1.094 1.00 62.54 H new ATOM 0 HB ILE A 38 2.052 1.078 -3.314 1.00 5.00 H new ATOM 0 HG12 ILE A 38 3.759 3.591 -3.289 1.00 60.42 H new ATOM 0 HG13 ILE A 38 4.189 2.078 -4.062 1.00 60.42 H new ATOM 0 HG21 ILE A 38 0.704 3.151 -3.250 1.00 74.33 H new ATOM 0 HG22 ILE A 38 0.602 2.245 -1.722 1.00 74.33 H new ATOM 0 HG23 ILE A 38 1.623 3.699 -1.828 1.00 74.33 H new ATOM 0 HD11 ILE A 38 3.337 3.683 -5.693 1.00 2.21 H new ATOM 0 HD12 ILE A 38 2.249 2.280 -5.569 1.00 2.21 H new ATOM 0 HD13 ILE A 38 1.812 3.817 -4.785 1.00 2.21 H new ATOM 621 N VAL A 39 1.979 1.258 0.410 1.00 50.52 N ATOM 622 CA VAL A 39 1.119 0.620 1.363 1.00 3.41 C ATOM 623 C VAL A 39 -0.171 1.425 1.473 1.00 31.10 C ATOM 624 O VAL A 39 -0.149 2.656 1.487 1.00 60.52 O ATOM 625 CB VAL A 39 1.805 0.514 2.760 1.00 75.12 C ATOM 626 CG1 VAL A 39 0.907 -0.190 3.758 1.00 3.31 C ATOM 627 CG2 VAL A 39 3.148 -0.205 2.659 1.00 41.41 C ATOM 0 H VAL A 39 2.246 2.209 0.665 1.00 50.52 H new ATOM 0 HA VAL A 39 0.902 -0.393 1.024 1.00 3.41 H new ATOM 0 HB VAL A 39 1.983 1.529 3.115 1.00 75.12 H new ATOM 0 HG11 VAL A 39 1.411 -0.249 4.723 1.00 3.31 H new ATOM 0 HG12 VAL A 39 -0.023 0.368 3.868 1.00 3.31 H new ATOM 0 HG13 VAL A 39 0.686 -1.196 3.402 1.00 3.31 H new ATOM 0 HG21 VAL A 39 3.604 -0.265 3.647 1.00 41.41 H new ATOM 0 HG22 VAL A 39 2.994 -1.211 2.269 1.00 41.41 H new ATOM 0 HG23 VAL A 39 3.807 0.347 1.988 1.00 41.41 H new ATOM 637 N ALA A 40 -1.268 0.751 1.519 1.00 52.34 N ATOM 638 CA ALA A 40 -2.543 1.393 1.612 1.00 71.53 C ATOM 639 C ALA A 40 -3.412 0.616 2.519 1.00 62.12 C ATOM 640 O ALA A 40 -3.380 -0.605 2.509 1.00 10.30 O ATOM 641 CB ALA A 40 -3.183 1.465 0.253 1.00 22.31 C ATOM 0 H ALA A 40 -1.311 -0.268 1.493 1.00 52.34 H new ATOM 0 HA ALA A 40 -2.409 2.403 1.998 1.00 71.53 H new ATOM 0 HB1 ALA A 40 -4.153 1.955 0.333 1.00 22.31 H new ATOM 0 HB2 ALA A 40 -2.543 2.035 -0.421 1.00 22.31 H new ATOM 0 HB3 ALA A 40 -3.317 0.457 -0.140 1.00 22.31 H new ATOM 647 N ARG A 41 -4.175 1.287 3.317 1.00 73.42 N ATOM 648 CA ARG A 41 -5.071 0.576 4.157 1.00 41.24 C ATOM 649 C ARG A 41 -6.414 0.684 3.552 1.00 52.41 C ATOM 650 O ARG A 41 -6.739 1.714 2.982 1.00 31.11 O ATOM 651 CB ARG A 41 -5.126 1.124 5.567 1.00 62.44 C ATOM 652 CG ARG A 41 -5.738 0.123 6.529 1.00 13.13 C ATOM 653 CD ARG A 41 -5.596 0.549 7.951 1.00 20.54 C ATOM 654 NE ARG A 41 -6.471 1.670 8.303 1.00 14.33 N ATOM 655 CZ ARG A 41 -6.245 2.530 9.300 1.00 70.40 C ATOM 656 NH1 ARG A 41 -5.071 2.545 9.927 1.00 15.22 N ATOM 657 NH2 ARG A 41 -7.201 3.371 9.664 1.00 22.43 N ATOM 0 H ARG A 41 -4.195 2.303 3.403 1.00 73.42 H new ATOM 0 HA ARG A 41 -4.725 -0.455 4.234 1.00 41.24 H new ATOM 0 HB2 ARG A 41 -4.120 1.380 5.898 1.00 62.44 H new ATOM 0 HB3 ARG A 41 -5.709 2.045 5.578 1.00 62.44 H new ATOM 0 HG2 ARG A 41 -6.795 -0.005 6.294 1.00 13.13 H new ATOM 0 HG3 ARG A 41 -5.261 -0.848 6.393 1.00 13.13 H new ATOM 0 HD2 ARG A 41 -5.819 -0.297 8.602 1.00 20.54 H new ATOM 0 HD3 ARG A 41 -4.560 0.831 8.138 1.00 20.54 H new ATOM 0 HE ARG A 41 -7.315 1.804 7.746 1.00 14.33 H new ATOM 0 HH11 ARG A 41 -4.335 1.896 9.647 1.00 15.22 H new ATOM 0 HH12 ARG A 41 -4.907 3.205 10.687 1.00 15.22 H new ATOM 0 HH21 ARG A 41 -8.101 3.359 9.184 1.00 22.43 H new ATOM 0 HH22 ARG A 41 -7.037 4.031 10.424 1.00 22.43 H new ATOM 671 N LEU A 42 -7.175 -0.337 3.641 1.00 72.13 N ATOM 672 CA LEU A 42 -8.489 -0.316 3.100 1.00 3.31 C ATOM 673 C LEU A 42 -9.463 0.270 4.115 1.00 42.43 C ATOM 674 O LEU A 42 -9.276 0.110 5.307 1.00 45.13 O ATOM 675 CB LEU A 42 -8.885 -1.721 2.676 1.00 52.44 C ATOM 676 CG LEU A 42 -7.921 -2.391 1.682 1.00 72.54 C ATOM 677 CD1 LEU A 42 -8.387 -3.769 1.312 1.00 34.51 C ATOM 678 CD2 LEU A 42 -7.707 -1.537 0.442 1.00 44.22 C ATOM 0 H LEU A 42 -6.911 -1.214 4.090 1.00 72.13 H new ATOM 0 HA LEU A 42 -8.518 0.322 2.217 1.00 3.31 H new ATOM 0 HB2 LEU A 42 -8.960 -2.346 3.566 1.00 52.44 H new ATOM 0 HB3 LEU A 42 -9.878 -1.684 2.228 1.00 52.44 H new ATOM 0 HG LEU A 42 -6.958 -2.487 2.184 1.00 72.54 H new ATOM 0 HD11 LEU A 42 -7.684 -4.214 0.608 1.00 34.51 H new ATOM 0 HD12 LEU A 42 -8.444 -4.387 2.208 1.00 34.51 H new ATOM 0 HD13 LEU A 42 -9.372 -3.708 0.850 1.00 34.51 H new ATOM 0 HD21 LEU A 42 -7.020 -2.045 -0.235 1.00 44.22 H new ATOM 0 HD22 LEU A 42 -8.661 -1.379 -0.060 1.00 44.22 H new ATOM 0 HD23 LEU A 42 -7.286 -0.574 0.732 1.00 44.22 H new ATOM 690 N LYS A 43 -10.464 0.970 3.637 1.00 53.10 N ATOM 691 CA LYS A 43 -11.461 1.584 4.492 1.00 35.52 C ATOM 692 C LYS A 43 -12.427 0.551 5.017 1.00 2.32 C ATOM 693 O LYS A 43 -12.547 0.348 6.224 1.00 70.31 O ATOM 694 CB LYS A 43 -12.252 2.643 3.720 1.00 5.54 C ATOM 695 CG LYS A 43 -11.415 3.772 3.161 1.00 34.54 C ATOM 696 CD LYS A 43 -12.261 4.803 2.420 1.00 21.42 C ATOM 697 CE LYS A 43 -13.285 5.433 3.345 1.00 10.35 C ATOM 698 NZ LYS A 43 -14.031 6.540 2.702 1.00 63.32 N ATOM 0 H LYS A 43 -10.614 1.132 2.641 1.00 53.10 H new ATOM 0 HA LYS A 43 -10.936 2.050 5.326 1.00 35.52 H new ATOM 0 HB2 LYS A 43 -12.778 2.157 2.898 1.00 5.54 H new ATOM 0 HB3 LYS A 43 -13.011 3.063 4.380 1.00 5.54 H new ATOM 0 HG2 LYS A 43 -10.878 4.261 3.974 1.00 34.54 H new ATOM 0 HG3 LYS A 43 -10.665 3.365 2.483 1.00 34.54 H new ATOM 0 HD2 LYS A 43 -11.616 5.577 2.005 1.00 21.42 H new ATOM 0 HD3 LYS A 43 -12.768 4.327 1.581 1.00 21.42 H new ATOM 0 HE2 LYS A 43 -13.989 4.669 3.675 1.00 10.35 H new ATOM 0 HE3 LYS A 43 -12.782 5.809 4.236 1.00 10.35 H new ATOM 0 HZ1 LYS A 43 -14.717 6.935 3.377 1.00 63.32 H new ATOM 0 HZ2 LYS A 43 -13.365 7.284 2.410 1.00 63.32 H new ATOM 0 HZ3 LYS A 43 -14.535 6.180 1.867 1.00 63.32 H new ATOM 712 N ASN A 44 -13.089 -0.120 4.102 1.00 54.30 N ATOM 713 CA ASN A 44 -14.128 -1.067 4.453 1.00 3.32 C ATOM 714 C ASN A 44 -13.553 -2.368 4.953 1.00 72.15 C ATOM 715 O ASN A 44 -14.067 -2.962 5.902 1.00 31.31 O ATOM 716 CB ASN A 44 -15.035 -1.303 3.243 1.00 12.41 C ATOM 717 CG ASN A 44 -16.107 -2.352 3.468 1.00 54.23 C ATOM 718 OD1 ASN A 44 -15.901 -3.533 3.181 1.00 75.11 O ATOM 719 ND2 ASN A 44 -17.246 -1.938 3.967 1.00 14.12 N ATOM 0 H ASN A 44 -12.926 -0.027 3.099 1.00 54.30 H new ATOM 0 HA ASN A 44 -14.716 -0.645 5.268 1.00 3.32 H new ATOM 0 HB2 ASN A 44 -15.514 -0.362 2.972 1.00 12.41 H new ATOM 0 HB3 ASN A 44 -14.420 -1.603 2.395 1.00 12.41 H new ATOM 0 HD21 ASN A 44 -18.002 -2.602 4.131 1.00 14.12 H new ATOM 0 HD22 ASN A 44 -17.376 -0.951 4.191 1.00 14.12 H new ATOM 726 N ASN A 45 -12.469 -2.790 4.357 1.00 63.34 N ATOM 727 CA ASN A 45 -11.868 -4.057 4.732 1.00 60.45 C ATOM 728 C ASN A 45 -10.862 -3.853 5.880 1.00 22.25 C ATOM 729 O ASN A 45 -10.607 -4.755 6.665 1.00 23.10 O ATOM 730 CB ASN A 45 -11.201 -4.716 3.505 1.00 2.11 C ATOM 731 CG ASN A 45 -10.708 -6.133 3.771 1.00 24.13 C ATOM 732 OD1 ASN A 45 -11.267 -6.850 4.585 1.00 42.53 O ATOM 733 ND2 ASN A 45 -9.678 -6.544 3.082 1.00 11.21 N ATOM 0 H ASN A 45 -11.983 -2.285 3.616 1.00 63.34 H new ATOM 0 HA ASN A 45 -12.648 -4.729 5.089 1.00 60.45 H new ATOM 0 HB2 ASN A 45 -11.914 -4.736 2.681 1.00 2.11 H new ATOM 0 HB3 ASN A 45 -10.360 -4.101 3.184 1.00 2.11 H new ATOM 0 HD21 ASN A 45 -9.319 -7.489 3.217 1.00 11.21 H new ATOM 0 HD22 ASN A 45 -9.233 -5.920 2.409 1.00 11.21 H new ATOM 740 N ASN A 46 -10.300 -2.641 5.953 1.00 0.43 N ATOM 741 CA ASN A 46 -9.322 -2.209 7.006 1.00 55.40 C ATOM 742 C ASN A 46 -7.976 -2.937 6.904 1.00 75.32 C ATOM 743 O ASN A 46 -7.050 -2.662 7.661 1.00 21.21 O ATOM 744 CB ASN A 46 -9.950 -2.268 8.432 1.00 70.22 C ATOM 745 CG ASN A 46 -9.085 -1.634 9.532 1.00 14.43 C ATOM 746 OD1 ASN A 46 -9.164 -0.424 9.768 1.00 35.11 O ATOM 747 ND2 ASN A 46 -8.310 -2.430 10.235 1.00 54.34 N ATOM 0 H ASN A 46 -10.504 -1.905 5.277 1.00 0.43 H new ATOM 0 HA ASN A 46 -9.091 -1.161 6.814 1.00 55.40 H new ATOM 0 HB2 ASN A 46 -10.917 -1.765 8.411 1.00 70.22 H new ATOM 0 HB3 ASN A 46 -10.139 -3.310 8.690 1.00 70.22 H new ATOM 0 HD21 ASN A 46 -7.752 -2.053 11.001 1.00 54.34 H new ATOM 0 HD22 ASN A 46 -8.267 -3.425 10.015 1.00 54.34 H new ATOM 754 N ARG A 47 -7.848 -3.841 5.950 1.00 75.41 N ATOM 755 CA ARG A 47 -6.595 -4.484 5.723 1.00 32.53 C ATOM 756 C ARG A 47 -5.627 -3.541 5.155 1.00 2.42 C ATOM 757 O ARG A 47 -5.945 -2.747 4.271 1.00 31.52 O ATOM 758 CB ARG A 47 -6.709 -5.699 4.825 1.00 24.13 C ATOM 759 CG ARG A 47 -7.097 -6.982 5.517 1.00 3.33 C ATOM 760 CD ARG A 47 -8.318 -6.839 6.357 1.00 12.34 C ATOM 761 NE ARG A 47 -8.801 -8.130 6.838 1.00 64.20 N ATOM 762 CZ ARG A 47 -10.007 -8.361 7.366 1.00 35.53 C ATOM 763 NH1 ARG A 47 -10.883 -7.372 7.507 1.00 45.23 N ATOM 764 NH2 ARG A 47 -10.339 -9.587 7.739 1.00 5.11 N ATOM 0 H ARG A 47 -8.601 -4.136 5.329 1.00 75.41 H new ATOM 0 HA ARG A 47 -6.247 -4.830 6.696 1.00 32.53 H new ATOM 0 HB2 ARG A 47 -7.445 -5.488 4.049 1.00 24.13 H new ATOM 0 HB3 ARG A 47 -5.753 -5.851 4.325 1.00 24.13 H new ATOM 0 HG2 ARG A 47 -7.265 -7.756 4.769 1.00 3.33 H new ATOM 0 HG3 ARG A 47 -6.269 -7.317 6.142 1.00 3.33 H new ATOM 0 HD2 ARG A 47 -8.100 -6.193 7.207 1.00 12.34 H new ATOM 0 HD3 ARG A 47 -9.102 -6.351 5.778 1.00 12.34 H new ATOM 0 HE ARG A 47 -8.164 -8.923 6.765 1.00 64.20 H new ATOM 0 HH11 ARG A 47 -10.637 -6.427 7.211 1.00 45.23 H new ATOM 0 HH12 ARG A 47 -11.801 -7.558 7.911 1.00 45.23 H new ATOM 0 HH21 ARG A 47 -9.675 -10.353 7.623 1.00 5.11 H new ATOM 0 HH22 ARG A 47 -11.259 -9.766 8.142 1.00 5.11 H new ATOM 778 N GLN A 48 -4.489 -3.598 5.679 1.00 71.34 N ATOM 779 CA GLN A 48 -3.407 -2.824 5.211 1.00 54.22 C ATOM 780 C GLN A 48 -2.749 -3.666 4.134 1.00 60.04 C ATOM 781 O GLN A 48 -2.274 -4.764 4.412 1.00 72.34 O ATOM 782 CB GLN A 48 -2.448 -2.604 6.365 1.00 0.53 C ATOM 783 CG GLN A 48 -1.267 -1.746 6.062 1.00 4.50 C ATOM 784 CD GLN A 48 -1.407 -0.284 6.429 1.00 44.40 C ATOM 785 OE1 GLN A 48 -2.471 0.293 6.402 1.00 43.11 O ATOM 786 NE2 GLN A 48 -0.306 0.309 6.814 1.00 62.22 N ATOM 0 H GLN A 48 -4.261 -4.198 6.471 1.00 71.34 H new ATOM 0 HA GLN A 48 -3.710 -1.852 4.823 1.00 54.22 H new ATOM 0 HB2 GLN A 48 -2.999 -2.156 7.192 1.00 0.53 H new ATOM 0 HB3 GLN A 48 -2.091 -3.575 6.709 1.00 0.53 H new ATOM 0 HG2 GLN A 48 -0.402 -2.152 6.586 1.00 4.50 H new ATOM 0 HG3 GLN A 48 -1.055 -1.815 4.995 1.00 4.50 H new ATOM 0 HE21 GLN A 48 0.574 -0.207 6.825 1.00 62.22 H new ATOM 0 HE22 GLN A 48 -0.328 1.287 7.103 1.00 62.22 H new ATOM 795 N VAL A 49 -2.744 -3.184 2.933 1.00 4.10 N ATOM 796 CA VAL A 49 -2.216 -3.940 1.819 1.00 23.44 C ATOM 797 C VAL A 49 -1.179 -3.119 1.095 1.00 45.23 C ATOM 798 O VAL A 49 -0.856 -2.009 1.519 1.00 11.24 O ATOM 799 CB VAL A 49 -3.339 -4.374 0.822 1.00 30.40 C ATOM 800 CG1 VAL A 49 -4.398 -5.209 1.528 1.00 44.42 C ATOM 801 CG2 VAL A 49 -3.975 -3.169 0.120 1.00 20.52 C ATOM 0 H VAL A 49 -3.101 -2.261 2.686 1.00 4.10 H new ATOM 0 HA VAL A 49 -1.762 -4.847 2.218 1.00 23.44 H new ATOM 0 HB VAL A 49 -2.871 -4.989 0.054 1.00 30.40 H new ATOM 0 HG11 VAL A 49 -5.169 -5.499 0.814 1.00 44.42 H new ATOM 0 HG12 VAL A 49 -3.937 -6.103 1.947 1.00 44.42 H new ATOM 0 HG13 VAL A 49 -4.848 -4.624 2.330 1.00 44.42 H new ATOM 0 HG21 VAL A 49 -4.750 -3.514 -0.564 1.00 20.52 H new ATOM 0 HG22 VAL A 49 -4.416 -2.506 0.864 1.00 20.52 H new ATOM 0 HG23 VAL A 49 -3.211 -2.629 -0.440 1.00 20.52 H new ATOM 811 N CYS A 50 -0.656 -3.643 0.026 1.00 52.12 N ATOM 812 CA CYS A 50 0.330 -2.929 -0.714 1.00 14.10 C ATOM 813 C CYS A 50 -0.169 -2.623 -2.099 1.00 53.41 C ATOM 814 O CYS A 50 -1.037 -3.318 -2.631 1.00 71.43 O ATOM 815 CB CYS A 50 1.621 -3.699 -0.792 1.00 24.12 C ATOM 816 SG CYS A 50 2.289 -4.202 0.824 1.00 42.04 S ATOM 0 H CYS A 50 -0.898 -4.560 -0.349 1.00 52.12 H new ATOM 0 HA CYS A 50 0.522 -1.993 -0.189 1.00 14.10 H new ATOM 0 HB2 CYS A 50 1.464 -4.590 -1.400 1.00 24.12 H new ATOM 0 HB3 CYS A 50 2.364 -3.089 -1.306 1.00 24.12 H new ATOM 821 N ILE A 51 0.380 -1.601 -2.672 1.00 34.44 N ATOM 822 CA ILE A 51 0.011 -1.131 -3.963 1.00 74.21 C ATOM 823 C ILE A 51 1.223 -1.065 -4.871 1.00 50.31 C ATOM 824 O ILE A 51 2.341 -0.777 -4.417 1.00 2.32 O ATOM 825 CB ILE A 51 -0.665 0.258 -3.890 1.00 0.51 C ATOM 826 CG1 ILE A 51 -1.913 0.191 -3.031 1.00 2.14 C ATOM 827 CG2 ILE A 51 -0.992 0.770 -5.263 1.00 22.04 C ATOM 828 CD1 ILE A 51 -2.759 1.456 -3.069 1.00 51.41 C ATOM 0 H ILE A 51 1.123 -1.054 -2.237 1.00 34.44 H new ATOM 0 HA ILE A 51 -0.709 -1.839 -4.375 1.00 74.21 H new ATOM 0 HB ILE A 51 0.035 0.956 -3.431 1.00 0.51 H new ATOM 0 HG12 ILE A 51 -2.522 -0.651 -3.358 1.00 2.14 H new ATOM 0 HG13 ILE A 51 -1.622 -0.008 -2.000 1.00 2.14 H new ATOM 0 HG21 ILE A 51 -1.466 1.748 -5.183 1.00 22.04 H new ATOM 0 HG22 ILE A 51 -0.075 0.858 -5.846 1.00 22.04 H new ATOM 0 HG23 ILE A 51 -1.672 0.076 -5.758 1.00 22.04 H new ATOM 0 HD11 ILE A 51 -3.633 1.329 -2.430 1.00 51.41 H new ATOM 0 HD12 ILE A 51 -2.168 2.300 -2.712 1.00 51.41 H new ATOM 0 HD13 ILE A 51 -3.083 1.647 -4.092 1.00 51.41 H new ATOM 840 N ASP A 52 1.007 -1.375 -6.127 1.00 61.11 N ATOM 841 CA ASP A 52 2.042 -1.330 -7.122 1.00 13.44 C ATOM 842 C ASP A 52 2.101 0.088 -7.686 1.00 23.23 C ATOM 843 O ASP A 52 1.052 0.672 -8.013 1.00 63.34 O ATOM 844 CB ASP A 52 1.699 -2.285 -8.242 1.00 24.15 C ATOM 845 CG ASP A 52 2.873 -2.549 -9.162 1.00 24.42 C ATOM 846 OD1 ASP A 52 3.285 -1.650 -9.890 1.00 21.24 O ATOM 847 OD2 ASP A 52 3.408 -3.683 -9.141 1.00 34.34 O ATOM 0 H ASP A 52 0.098 -1.668 -6.486 1.00 61.11 H new ATOM 0 HA ASP A 52 2.999 -1.609 -6.682 1.00 13.44 H new ATOM 0 HB2 ASP A 52 1.355 -3.228 -7.818 1.00 24.15 H new ATOM 0 HB3 ASP A 52 0.872 -1.876 -8.823 1.00 24.15 H new ATOM 852 N PRO A 53 3.301 0.663 -7.818 1.00 34.11 N ATOM 853 CA PRO A 53 3.475 2.038 -8.302 1.00 22.22 C ATOM 854 C PRO A 53 3.037 2.286 -9.764 1.00 51.12 C ATOM 855 O PRO A 53 3.068 3.428 -10.223 1.00 74.11 O ATOM 856 CB PRO A 53 4.979 2.300 -8.137 1.00 11.14 C ATOM 857 CG PRO A 53 5.599 0.946 -8.127 1.00 24.03 C ATOM 858 CD PRO A 53 4.596 0.037 -7.479 1.00 53.22 C ATOM 0 HA PRO A 53 2.832 2.712 -7.736 1.00 22.22 H new ATOM 0 HB2 PRO A 53 5.367 2.907 -8.955 1.00 11.14 H new ATOM 0 HB3 PRO A 53 5.188 2.838 -7.213 1.00 11.14 H new ATOM 0 HG2 PRO A 53 5.829 0.615 -9.140 1.00 24.03 H new ATOM 0 HG3 PRO A 53 6.537 0.950 -7.572 1.00 24.03 H new ATOM 0 HD2 PRO A 53 4.665 -0.979 -7.866 1.00 53.22 H new ATOM 0 HD3 PRO A 53 4.744 -0.022 -6.401 1.00 53.22 H new ATOM 866 N LYS A 54 2.637 1.250 -10.495 1.00 32.04 N ATOM 867 CA LYS A 54 2.187 1.466 -11.870 1.00 13.32 C ATOM 868 C LYS A 54 0.659 1.474 -12.048 1.00 65.45 C ATOM 869 O LYS A 54 0.161 1.498 -13.186 1.00 65.22 O ATOM 870 CB LYS A 54 2.931 0.580 -12.912 1.00 60.13 C ATOM 871 CG LYS A 54 2.937 -0.909 -12.685 1.00 52.02 C ATOM 872 CD LYS A 54 1.573 -1.535 -12.804 1.00 50.03 C ATOM 873 CE LYS A 54 1.650 -3.008 -12.522 1.00 71.52 C ATOM 874 NZ LYS A 54 2.538 -3.725 -13.468 1.00 11.41 N ATOM 0 H LYS A 54 2.614 0.282 -10.174 1.00 32.04 H new ATOM 0 HA LYS A 54 2.486 2.490 -12.093 1.00 13.32 H new ATOM 0 HB2 LYS A 54 2.489 0.769 -13.890 1.00 60.13 H new ATOM 0 HB3 LYS A 54 3.967 0.916 -12.960 1.00 60.13 H new ATOM 0 HG2 LYS A 54 3.608 -1.377 -13.406 1.00 52.02 H new ATOM 0 HG3 LYS A 54 3.339 -1.117 -11.693 1.00 52.02 H new ATOM 0 HD2 LYS A 54 0.885 -1.059 -12.105 1.00 50.03 H new ATOM 0 HD3 LYS A 54 1.175 -1.370 -13.805 1.00 50.03 H new ATOM 0 HE2 LYS A 54 2.010 -3.161 -11.505 1.00 71.52 H new ATOM 0 HE3 LYS A 54 0.649 -3.437 -12.573 1.00 71.52 H new ATOM 0 HZ1 LYS A 54 2.066 -4.590 -13.800 1.00 11.41 H new ATOM 0 HZ2 LYS A 54 2.747 -3.111 -14.281 1.00 11.41 H new ATOM 0 HZ3 LYS A 54 3.425 -3.977 -12.988 1.00 11.41 H new ATOM 888 N LEU A 55 -0.094 1.479 -10.942 1.00 52.45 N ATOM 889 CA LEU A 55 -1.539 1.603 -11.027 1.00 24.53 C ATOM 890 C LEU A 55 -1.937 2.955 -11.619 1.00 3.42 C ATOM 891 O LEU A 55 -1.265 3.972 -11.383 1.00 64.43 O ATOM 892 CB LEU A 55 -2.203 1.423 -9.674 1.00 32.11 C ATOM 893 CG LEU A 55 -2.343 0.015 -9.111 1.00 44.01 C ATOM 894 CD1 LEU A 55 -3.086 0.084 -7.801 1.00 15.53 C ATOM 895 CD2 LEU A 55 -3.124 -0.853 -10.057 1.00 60.03 C ATOM 0 H LEU A 55 0.274 1.399 -9.994 1.00 52.45 H new ATOM 0 HA LEU A 55 -1.886 0.807 -11.685 1.00 24.53 H new ATOM 0 HB2 LEU A 55 -1.643 2.015 -8.950 1.00 32.11 H new ATOM 0 HB3 LEU A 55 -3.202 1.855 -9.735 1.00 32.11 H new ATOM 0 HG LEU A 55 -1.349 -0.409 -8.970 1.00 44.01 H new ATOM 0 HD11 LEU A 55 -3.192 -0.920 -7.389 1.00 15.53 H new ATOM 0 HD12 LEU A 55 -2.531 0.707 -7.100 1.00 15.53 H new ATOM 0 HD13 LEU A 55 -4.074 0.515 -7.965 1.00 15.53 H new ATOM 0 HD21 LEU A 55 -3.215 -1.856 -9.640 1.00 60.03 H new ATOM 0 HD22 LEU A 55 -4.118 -0.429 -10.203 1.00 60.03 H new ATOM 0 HD23 LEU A 55 -2.607 -0.904 -11.015 1.00 60.03 H new ATOM 907 N LYS A 56 -3.041 2.961 -12.352 1.00 23.12 N ATOM 908 CA LYS A 56 -3.513 4.143 -13.072 1.00 33.52 C ATOM 909 C LYS A 56 -3.827 5.291 -12.126 1.00 13.25 C ATOM 910 O LYS A 56 -3.349 6.412 -12.320 1.00 73.50 O ATOM 911 CB LYS A 56 -4.759 3.814 -13.903 1.00 20.32 C ATOM 912 CG LYS A 56 -5.259 4.987 -14.749 1.00 14.40 C ATOM 913 CD LYS A 56 -6.561 4.669 -15.471 1.00 60.12 C ATOM 914 CE LYS A 56 -7.704 4.438 -14.492 1.00 64.14 C ATOM 915 NZ LYS A 56 -8.978 4.168 -15.185 1.00 23.52 N ATOM 0 H LYS A 56 -3.640 2.144 -12.467 1.00 23.12 H new ATOM 0 HA LYS A 56 -2.706 4.453 -13.736 1.00 33.52 H new ATOM 0 HB2 LYS A 56 -4.536 2.973 -14.559 1.00 20.32 H new ATOM 0 HB3 LYS A 56 -5.557 3.493 -13.234 1.00 20.32 H new ATOM 0 HG2 LYS A 56 -5.405 5.857 -14.109 1.00 14.40 H new ATOM 0 HG3 LYS A 56 -4.497 5.254 -15.481 1.00 14.40 H new ATOM 0 HD2 LYS A 56 -6.816 5.490 -16.141 1.00 60.12 H new ATOM 0 HD3 LYS A 56 -6.427 3.782 -16.090 1.00 60.12 H new ATOM 0 HE2 LYS A 56 -7.460 3.598 -13.841 1.00 64.14 H new ATOM 0 HE3 LYS A 56 -7.817 5.314 -13.853 1.00 64.14 H new ATOM 0 HZ1 LYS A 56 -9.730 4.016 -14.483 1.00 23.52 H new ATOM 0 HZ2 LYS A 56 -9.225 4.980 -15.787 1.00 23.52 H new ATOM 0 HZ3 LYS A 56 -8.879 3.317 -15.775 1.00 23.52 H new ATOM 929 N TRP A 57 -4.611 5.016 -11.088 1.00 41.43 N ATOM 930 CA TRP A 57 -4.984 6.076 -10.158 1.00 14.31 C ATOM 931 C TRP A 57 -3.800 6.447 -9.263 1.00 44.15 C ATOM 932 O TRP A 57 -3.744 7.526 -8.670 1.00 14.13 O ATOM 933 CB TRP A 57 -6.245 5.720 -9.341 1.00 72.15 C ATOM 934 CG TRP A 57 -6.107 4.599 -8.347 1.00 11.24 C ATOM 935 CD1 TRP A 57 -6.310 3.263 -8.546 1.00 23.24 C ATOM 936 CD2 TRP A 57 -5.772 4.744 -6.976 1.00 73.34 C ATOM 937 NE1 TRP A 57 -6.113 2.585 -7.387 1.00 41.34 N ATOM 938 CE2 TRP A 57 -5.784 3.463 -6.408 1.00 41.42 C ATOM 939 CE3 TRP A 57 -5.461 5.839 -6.173 1.00 3.34 C ATOM 940 CZ2 TRP A 57 -5.500 3.243 -5.082 1.00 32.34 C ATOM 941 CZ3 TRP A 57 -5.180 5.624 -4.852 1.00 13.35 C ATOM 942 CH2 TRP A 57 -5.201 4.341 -4.316 1.00 23.21 C ATOM 0 H TRP A 57 -4.992 4.094 -10.873 1.00 41.43 H new ATOM 0 HA TRP A 57 -5.246 6.956 -10.745 1.00 14.31 H new ATOM 0 HB2 TRP A 57 -6.568 6.613 -8.806 1.00 72.15 H new ATOM 0 HB3 TRP A 57 -7.042 5.461 -10.039 1.00 72.15 H new ATOM 0 HD1 TRP A 57 -6.587 2.812 -9.488 1.00 23.24 H new ATOM 0 HE1 TRP A 57 -6.199 1.575 -7.271 1.00 41.34 H new ATOM 0 HE3 TRP A 57 -5.442 6.837 -6.585 1.00 3.34 H new ATOM 0 HZ2 TRP A 57 -5.512 2.249 -4.661 1.00 32.34 H new ATOM 0 HZ3 TRP A 57 -4.938 6.463 -4.216 1.00 13.35 H new ATOM 0 HH2 TRP A 57 -4.976 4.205 -3.268 1.00 23.21 H new ATOM 953 N ILE A 58 -2.845 5.544 -9.196 1.00 72.24 N ATOM 954 CA ILE A 58 -1.623 5.781 -8.472 1.00 44.14 C ATOM 955 C ILE A 58 -0.772 6.780 -9.214 1.00 61.50 C ATOM 956 O ILE A 58 -0.110 7.599 -8.601 1.00 53.41 O ATOM 957 CB ILE A 58 -0.850 4.463 -8.187 1.00 61.44 C ATOM 958 CG1 ILE A 58 -1.591 3.626 -7.150 1.00 51.21 C ATOM 959 CG2 ILE A 58 0.594 4.694 -7.771 1.00 61.51 C ATOM 960 CD1 ILE A 58 -1.770 4.316 -5.804 1.00 31.14 C ATOM 0 H ILE A 58 -2.897 4.628 -9.642 1.00 72.24 H new ATOM 0 HA ILE A 58 -1.879 6.200 -7.499 1.00 44.14 H new ATOM 0 HB ILE A 58 -0.809 3.913 -9.127 1.00 61.44 H new ATOM 0 HG12 ILE A 58 -2.573 3.364 -7.545 1.00 51.21 H new ATOM 0 HG13 ILE A 58 -1.049 2.693 -6.998 1.00 51.21 H new ATOM 0 HG21 ILE A 58 1.078 3.735 -7.587 1.00 61.51 H new ATOM 0 HG22 ILE A 58 1.122 5.220 -8.566 1.00 61.51 H new ATOM 0 HG23 ILE A 58 0.619 5.293 -6.861 1.00 61.51 H new ATOM 0 HD11 ILE A 58 -2.306 3.654 -5.124 1.00 31.14 H new ATOM 0 HD12 ILE A 58 -0.793 4.554 -5.384 1.00 31.14 H new ATOM 0 HD13 ILE A 58 -2.340 5.235 -5.939 1.00 31.14 H new ATOM 972 N GLN A 59 -0.839 6.754 -10.546 1.00 63.11 N ATOM 973 CA GLN A 59 -0.110 7.729 -11.348 1.00 71.11 C ATOM 974 C GLN A 59 -0.614 9.107 -10.976 1.00 72.33 C ATOM 975 O GLN A 59 0.158 10.052 -10.832 1.00 21.51 O ATOM 976 CB GLN A 59 -0.311 7.504 -12.859 1.00 33.24 C ATOM 977 CG GLN A 59 0.045 6.110 -13.366 1.00 73.44 C ATOM 978 CD GLN A 59 1.434 5.668 -12.962 1.00 60.42 C ATOM 979 OE1 GLN A 59 2.413 5.918 -13.653 1.00 30.34 O ATOM 980 NE2 GLN A 59 1.512 4.977 -11.862 1.00 11.33 N ATOM 0 H GLN A 59 -1.383 6.078 -11.083 1.00 63.11 H new ATOM 0 HA GLN A 59 0.955 7.623 -11.144 1.00 71.11 H new ATOM 0 HB2 GLN A 59 -1.354 7.706 -13.104 1.00 33.24 H new ATOM 0 HB3 GLN A 59 0.290 8.234 -13.401 1.00 33.24 H new ATOM 0 HG2 GLN A 59 -0.683 5.394 -12.984 1.00 73.44 H new ATOM 0 HG3 GLN A 59 -0.033 6.095 -14.453 1.00 73.44 H new ATOM 0 HE21 GLN A 59 0.671 4.791 -11.316 1.00 11.33 H new ATOM 0 HE22 GLN A 59 2.414 4.621 -11.546 1.00 11.33 H new ATOM 989 N GLU A 60 -1.925 9.177 -10.755 1.00 64.44 N ATOM 990 CA GLU A 60 -2.595 10.392 -10.367 1.00 11.30 C ATOM 991 C GLU A 60 -2.138 10.824 -8.970 1.00 42.32 C ATOM 992 O GLU A 60 -1.868 12.010 -8.736 1.00 13.23 O ATOM 993 CB GLU A 60 -4.111 10.194 -10.404 1.00 33.33 C ATOM 994 CG GLU A 60 -4.624 9.729 -11.754 1.00 3.11 C ATOM 995 CD GLU A 60 -6.122 9.599 -11.800 1.00 73.44 C ATOM 996 OE1 GLU A 60 -6.656 8.543 -11.433 1.00 30.12 O ATOM 997 OE2 GLU A 60 -6.789 10.569 -12.213 1.00 30.11 O ATOM 0 H GLU A 60 -2.549 8.375 -10.844 1.00 64.44 H new ATOM 0 HA GLU A 60 -2.335 11.181 -11.073 1.00 11.30 H new ATOM 0 HB2 GLU A 60 -4.394 9.464 -9.645 1.00 33.33 H new ATOM 0 HB3 GLU A 60 -4.599 11.132 -10.141 1.00 33.33 H new ATOM 0 HG2 GLU A 60 -4.302 10.433 -12.521 1.00 3.11 H new ATOM 0 HG3 GLU A 60 -4.174 8.766 -11.996 1.00 3.11 H new ATOM 1004 N TYR A 61 -2.046 9.863 -8.049 1.00 22.43 N ATOM 1005 CA TYR A 61 -1.563 10.142 -6.691 1.00 25.12 C ATOM 1006 C TYR A 61 -0.116 10.664 -6.719 1.00 14.23 C ATOM 1007 O TYR A 61 0.239 11.567 -5.968 1.00 42.21 O ATOM 1008 CB TYR A 61 -1.677 8.902 -5.779 1.00 63.24 C ATOM 1009 CG TYR A 61 -1.196 9.154 -4.354 1.00 41.53 C ATOM 1010 CD1 TYR A 61 -1.978 9.863 -3.453 1.00 64.20 C ATOM 1011 CD2 TYR A 61 0.048 8.703 -3.923 1.00 21.53 C ATOM 1012 CE1 TYR A 61 -1.538 10.113 -2.166 1.00 1.03 C ATOM 1013 CE2 TYR A 61 0.494 8.953 -2.639 1.00 3.02 C ATOM 1014 CZ TYR A 61 -0.302 9.657 -1.766 1.00 31.55 C ATOM 1015 OH TYR A 61 0.143 9.909 -0.478 1.00 22.52 O ATOM 0 H TYR A 61 -2.298 8.889 -8.215 1.00 22.43 H new ATOM 0 HA TYR A 61 -2.202 10.919 -6.272 1.00 25.12 H new ATOM 0 HB2 TYR A 61 -2.716 8.574 -5.752 1.00 63.24 H new ATOM 0 HB3 TYR A 61 -1.097 8.087 -6.212 1.00 63.24 H new ATOM 0 HD1 TYR A 61 -2.947 10.226 -3.762 1.00 64.20 H new ATOM 0 HD2 TYR A 61 0.676 8.148 -4.604 1.00 21.53 H new ATOM 0 HE1 TYR A 61 -2.162 10.664 -1.477 1.00 1.03 H new ATOM 0 HE2 TYR A 61 1.463 8.597 -2.323 1.00 3.02 H new ATOM 0 HH TYR A 61 1.034 9.518 -0.357 1.00 22.52 H new ATOM 1025 N LEU A 62 0.701 10.095 -7.586 1.00 64.41 N ATOM 1026 CA LEU A 62 2.079 10.543 -7.748 1.00 60.22 C ATOM 1027 C LEU A 62 2.162 11.935 -8.344 1.00 73.55 C ATOM 1028 O LEU A 62 2.985 12.732 -7.923 1.00 13.12 O ATOM 1029 CB LEU A 62 2.935 9.536 -8.524 1.00 73.30 C ATOM 1030 CG LEU A 62 3.516 8.348 -7.717 1.00 4.30 C ATOM 1031 CD1 LEU A 62 2.457 7.560 -6.987 1.00 23.23 C ATOM 1032 CD2 LEU A 62 4.304 7.449 -8.628 1.00 33.12 C ATOM 0 H LEU A 62 0.437 9.319 -8.193 1.00 64.41 H new ATOM 0 HA LEU A 62 2.501 10.602 -6.745 1.00 60.22 H new ATOM 0 HB2 LEU A 62 2.332 9.132 -9.337 1.00 73.30 H new ATOM 0 HB3 LEU A 62 3.765 10.075 -8.980 1.00 73.30 H new ATOM 0 HG LEU A 62 4.172 8.768 -6.954 1.00 4.30 H new ATOM 0 HD11 LEU A 62 2.925 6.741 -6.440 1.00 23.23 H new ATOM 0 HD12 LEU A 62 1.936 8.213 -6.287 1.00 23.23 H new ATOM 0 HD13 LEU A 62 1.744 7.156 -7.706 1.00 23.23 H new ATOM 0 HD21 LEU A 62 4.710 6.616 -8.055 1.00 33.12 H new ATOM 0 HD22 LEU A 62 3.653 7.066 -9.414 1.00 33.12 H new ATOM 0 HD23 LEU A 62 5.122 8.013 -9.077 1.00 33.12 H new ATOM 1044 N GLU A 63 1.279 12.240 -9.295 1.00 51.51 N ATOM 1045 CA GLU A 63 1.229 13.583 -9.905 1.00 33.11 C ATOM 1046 C GLU A 63 0.950 14.584 -8.817 1.00 43.22 C ATOM 1047 O GLU A 63 1.624 15.595 -8.684 1.00 11.10 O ATOM 1048 CB GLU A 63 0.112 13.684 -10.947 1.00 15.21 C ATOM 1049 CG GLU A 63 0.271 12.799 -12.159 1.00 23.33 C ATOM 1050 CD GLU A 63 -0.899 12.933 -13.095 1.00 43.52 C ATOM 1051 OE1 GLU A 63 -1.001 13.966 -13.781 1.00 31.12 O ATOM 1052 OE2 GLU A 63 -1.757 12.020 -13.141 1.00 24.11 O ATOM 0 H GLU A 63 0.589 11.585 -9.663 1.00 51.51 H new ATOM 0 HA GLU A 63 2.182 13.776 -10.398 1.00 33.11 H new ATOM 0 HB2 GLU A 63 -0.835 13.442 -10.464 1.00 15.21 H new ATOM 0 HB3 GLU A 63 0.044 14.719 -11.281 1.00 15.21 H new ATOM 0 HG2 GLU A 63 1.190 13.060 -12.684 1.00 23.33 H new ATOM 0 HG3 GLU A 63 0.368 11.760 -11.843 1.00 23.33 H new ATOM 1059 N LYS A 64 -0.046 14.248 -8.041 1.00 54.44 N ATOM 1060 CA LYS A 64 -0.492 14.991 -6.888 1.00 41.01 C ATOM 1061 C LYS A 64 0.676 15.228 -5.912 1.00 0.23 C ATOM 1062 O LYS A 64 1.093 16.374 -5.656 1.00 13.10 O ATOM 1063 CB LYS A 64 -1.508 14.109 -6.198 1.00 30.24 C ATOM 1064 CG LYS A 64 -2.036 14.614 -4.906 1.00 22.32 C ATOM 1065 CD LYS A 64 -3.064 15.706 -5.110 1.00 63.21 C ATOM 1066 CE LYS A 64 -3.649 16.159 -3.791 1.00 0.35 C ATOM 1067 NZ LYS A 64 -4.652 17.221 -3.968 1.00 10.53 N ATOM 0 H LYS A 64 -0.598 13.406 -8.203 1.00 54.44 H new ATOM 0 HA LYS A 64 -0.897 15.958 -7.185 1.00 41.01 H new ATOM 0 HB2 LYS A 64 -2.347 13.956 -6.876 1.00 30.24 H new ATOM 0 HB3 LYS A 64 -1.055 13.133 -6.026 1.00 30.24 H new ATOM 0 HG2 LYS A 64 -2.485 13.791 -4.350 1.00 22.32 H new ATOM 0 HG3 LYS A 64 -1.214 14.997 -4.301 1.00 22.32 H new ATOM 0 HD2 LYS A 64 -2.602 16.554 -5.616 1.00 63.21 H new ATOM 0 HD3 LYS A 64 -3.861 15.342 -5.759 1.00 63.21 H new ATOM 0 HE2 LYS A 64 -4.107 15.308 -3.286 1.00 0.35 H new ATOM 0 HE3 LYS A 64 -2.849 16.520 -3.145 1.00 0.35 H new ATOM 0 HZ1 LYS A 64 -5.027 17.502 -3.040 1.00 10.53 H new ATOM 0 HZ2 LYS A 64 -4.210 18.043 -4.426 1.00 10.53 H new ATOM 0 HZ3 LYS A 64 -5.429 16.869 -4.563 1.00 10.53 H new ATOM 1081 N ALA A 65 1.171 14.128 -5.377 1.00 44.14 N ATOM 1082 CA ALA A 65 2.265 14.120 -4.393 1.00 41.23 C ATOM 1083 C ALA A 65 3.553 14.812 -4.884 1.00 21.15 C ATOM 1084 O ALA A 65 4.259 15.450 -4.093 1.00 52.24 O ATOM 1085 CB ALA A 65 2.568 12.697 -3.944 1.00 11.53 C ATOM 0 H ALA A 65 0.828 13.196 -5.609 1.00 44.14 H new ATOM 0 HA ALA A 65 1.910 14.708 -3.547 1.00 41.23 H new ATOM 0 HB1 ALA A 65 3.380 12.710 -3.216 1.00 11.53 H new ATOM 0 HB2 ALA A 65 1.679 12.262 -3.488 1.00 11.53 H new ATOM 0 HB3 ALA A 65 2.863 12.099 -4.806 1.00 11.53 H new ATOM 1091 N LEU A 66 3.874 14.682 -6.151 1.00 14.20 N ATOM 1092 CA LEU A 66 5.082 15.306 -6.679 1.00 34.02 C ATOM 1093 C LEU A 66 4.867 16.785 -6.949 1.00 64.02 C ATOM 1094 O LEU A 66 5.761 17.603 -6.716 1.00 31.41 O ATOM 1095 CB LEU A 66 5.589 14.587 -7.935 1.00 34.51 C ATOM 1096 CG LEU A 66 6.004 13.116 -7.753 1.00 2.23 C ATOM 1097 CD1 LEU A 66 6.429 12.510 -9.079 1.00 42.43 C ATOM 1098 CD2 LEU A 66 7.126 12.990 -6.729 1.00 24.45 C ATOM 0 H LEU A 66 3.328 14.158 -6.834 1.00 14.20 H new ATOM 0 HA LEU A 66 5.853 15.213 -5.914 1.00 34.02 H new ATOM 0 HB2 LEU A 66 4.808 14.632 -8.694 1.00 34.51 H new ATOM 0 HB3 LEU A 66 6.444 15.139 -8.324 1.00 34.51 H new ATOM 0 HG LEU A 66 5.139 12.566 -7.382 1.00 2.23 H new ATOM 0 HD11 LEU A 66 6.718 11.470 -8.928 1.00 42.43 H new ATOM 0 HD12 LEU A 66 5.598 12.557 -9.783 1.00 42.43 H new ATOM 0 HD13 LEU A 66 7.276 13.068 -9.479 1.00 42.43 H new ATOM 0 HD21 LEU A 66 7.401 11.941 -6.618 1.00 24.45 H new ATOM 0 HD22 LEU A 66 7.992 13.559 -7.067 1.00 24.45 H new ATOM 0 HD23 LEU A 66 6.788 13.380 -5.769 1.00 24.45 H new ATOM 1110 N ASN A 67 3.683 17.131 -7.410 1.00 4.43 N ATOM 1111 CA ASN A 67 3.356 18.518 -7.717 1.00 12.34 C ATOM 1112 C ASN A 67 3.286 19.379 -6.469 1.00 63.41 C ATOM 1113 O ASN A 67 3.758 20.519 -6.469 1.00 60.31 O ATOM 1114 CB ASN A 67 2.052 18.628 -8.533 1.00 61.43 C ATOM 1115 CG ASN A 67 1.625 20.067 -8.788 1.00 41.53 C ATOM 1116 OD1 ASN A 67 2.061 20.696 -9.752 1.00 73.32 O ATOM 1117 ND2 ASN A 67 0.742 20.581 -7.958 1.00 34.31 N ATOM 0 H ASN A 67 2.924 16.471 -7.583 1.00 4.43 H new ATOM 0 HA ASN A 67 4.171 18.900 -8.332 1.00 12.34 H new ATOM 0 HB2 ASN A 67 2.185 18.120 -9.488 1.00 61.43 H new ATOM 0 HB3 ASN A 67 1.254 18.107 -8.003 1.00 61.43 H new ATOM 0 HD21 ASN A 67 0.397 21.530 -8.104 1.00 34.31 H new ATOM 0 HD22 ASN A 67 0.403 20.030 -7.169 1.00 34.31 H new ATOM 1124 N LYS A 68 2.722 18.853 -5.413 1.00 54.30 N ATOM 1125 CA LYS A 68 2.584 19.630 -4.211 1.00 65.03 C ATOM 1126 C LYS A 68 2.881 18.768 -2.987 1.00 12.11 C ATOM 1127 O LYS A 68 1.960 18.155 -2.433 1.00 37.06 O ATOM 1128 CB LYS A 68 1.174 20.248 -4.167 1.00 2.52 C ATOM 1129 CG LYS A 68 0.907 21.205 -3.015 1.00 30.13 C ATOM 1130 CD LYS A 68 -0.484 21.811 -3.148 1.00 51.31 C ATOM 1131 CE LYS A 68 -0.808 22.782 -2.022 1.00 25.24 C ATOM 1132 NZ LYS A 68 -0.786 22.128 -0.695 1.00 25.42 N ATOM 1133 OXT LYS A 68 4.057 18.689 -2.588 1.00 37.06 O ATOM 0 H LYS A 68 2.355 17.903 -5.361 1.00 54.30 H new ATOM 0 HA LYS A 68 3.308 20.445 -4.205 1.00 65.03 H new ATOM 0 HB2 LYS A 68 1.001 20.779 -5.103 1.00 2.52 H new ATOM 0 HB3 LYS A 68 0.445 19.439 -4.119 1.00 2.52 H new ATOM 0 HG2 LYS A 68 0.992 20.676 -2.066 1.00 30.13 H new ATOM 0 HG3 LYS A 68 1.657 21.996 -3.008 1.00 30.13 H new ATOM 0 HD2 LYS A 68 -0.561 22.330 -4.104 1.00 51.31 H new ATOM 0 HD3 LYS A 68 -1.225 21.012 -3.159 1.00 51.31 H new ATOM 0 HE2 LYS A 68 -0.089 23.601 -2.033 1.00 25.24 H new ATOM 0 HE3 LYS A 68 -1.792 23.219 -2.193 1.00 25.24 H new ATOM 0 HZ1 LYS A 68 -1.174 22.777 0.019 1.00 25.42 H new ATOM 0 HZ2 LYS A 68 -1.362 21.262 -0.725 1.00 25.42 H new ATOM 0 HZ3 LYS A 68 0.193 21.884 -0.444 1.00 25.42 H new TER 1147 LYS A 68