USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 269 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 Single : A 6 HIS : no HD1:sc= -0.0441 X(o=-0.044,f=-0.0024) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 14 HIS : no HD1:sc=-0.00487 X(o=-0.0049,f=-0.12) USER MOD Single : A 15 GLN : amide:sc= -3.19 K(o=-3.2,f=-2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 171:sc= -0.187 (180deg=-0.3) USER MOD ----------------------------------------------------------------- ATOM 38 N PHE A 4 -0.742 -0.310 -3.839 1.00 13.42 N ATOM 39 CA PHE A 4 -2.093 -0.321 -3.289 1.00 21.40 C ATOM 40 C PHE A 4 -2.742 -1.691 -3.469 1.00 44.33 C ATOM 41 O PHE A 4 -3.569 -2.109 -2.659 1.00 51.24 O ATOM 42 CB PHE A 4 -2.949 0.754 -3.961 1.00 73.21 C ATOM 43 CG PHE A 4 -3.917 1.421 -3.026 1.00 32.52 C ATOM 44 CD1 PHE A 4 -3.538 2.533 -2.293 1.00 1.51 C ATOM 45 CD2 PHE A 4 -5.206 0.934 -2.879 1.00 72.22 C ATOM 46 CE1 PHE A 4 -4.426 3.150 -1.432 1.00 32.33 C ATOM 47 CE2 PHE A 4 -6.099 1.546 -2.020 1.00 1.01 C ATOM 48 CZ PHE A 4 -5.708 2.654 -1.294 1.00 51.53 C ATOM 0 HA PHE A 4 -2.026 -0.107 -2.222 1.00 21.40 H new ATOM 0 HB2 PHE A 4 -2.294 1.510 -4.394 1.00 73.21 H new ATOM 0 HB3 PHE A 4 -3.503 0.304 -4.784 1.00 73.21 H new ATOM 0 HD1 PHE A 4 -2.536 2.923 -2.395 1.00 1.51 H new ATOM 0 HD2 PHE A 4 -5.516 0.066 -3.442 1.00 72.22 H new ATOM 0 HE1 PHE A 4 -4.118 4.018 -0.868 1.00 32.33 H new ATOM 0 HE2 PHE A 4 -7.102 1.158 -1.916 1.00 1.01 H new ATOM 0 HZ PHE A 4 -6.403 3.132 -0.620 1.00 51.53 H new ATOM 58 N ARG A 5 -2.360 -2.383 -4.537 1.00 71.54 N ATOM 59 CA ARG A 5 -2.905 -3.704 -4.826 1.00 32.51 C ATOM 60 C ARG A 5 -2.010 -4.799 -4.253 1.00 62.21 C ATOM 61 O ARG A 5 -2.085 -5.957 -4.666 1.00 35.03 O ATOM 62 CB ARG A 5 -3.061 -3.896 -6.336 1.00 35.54 C ATOM 63 CG ARG A 5 -4.477 -3.659 -6.837 1.00 4.34 C ATOM 64 CD ARG A 5 -4.939 -2.239 -6.547 1.00 31.45 C ATOM 65 NE ARG A 5 -5.899 -1.763 -7.539 1.00 3.20 N ATOM 66 CZ ARG A 5 -6.698 -0.719 -7.347 1.00 22.33 C ATOM 67 NH1 ARG A 5 -6.652 -0.047 -6.205 1.00 51.51 N ATOM 68 NH2 ARG A 5 -7.545 -0.346 -8.298 1.00 24.42 N ATOM 0 H ARG A 5 -1.675 -2.051 -5.216 1.00 71.54 H new ATOM 0 HA ARG A 5 -3.885 -3.776 -4.354 1.00 32.51 H new ATOM 0 HB2 ARG A 5 -2.383 -3.216 -6.852 1.00 35.54 H new ATOM 0 HB3 ARG A 5 -2.757 -4.909 -6.598 1.00 35.54 H new ATOM 0 HG2 ARG A 5 -4.521 -3.845 -7.910 1.00 4.34 H new ATOM 0 HG3 ARG A 5 -5.156 -4.368 -6.363 1.00 4.34 H new ATOM 0 HD2 ARG A 5 -5.392 -2.200 -5.556 1.00 31.45 H new ATOM 0 HD3 ARG A 5 -4.076 -1.573 -6.529 1.00 31.45 H new ATOM 0 HE ARG A 5 -5.959 -2.259 -8.428 1.00 3.20 H new ATOM 0 HH11 ARG A 5 -6.002 -0.331 -5.472 1.00 51.51 H new ATOM 0 HH12 ARG A 5 -7.266 0.754 -6.060 1.00 51.51 H new ATOM 0 HH21 ARG A 5 -7.583 -0.861 -9.178 1.00 24.42 H new ATOM 0 HH22 ARG A 5 -8.158 0.456 -8.149 1.00 24.42 H new ATOM 82 N HIS A 6 -1.162 -4.425 -3.300 1.00 43.34 N ATOM 83 CA HIS A 6 -0.251 -5.375 -2.671 1.00 14.33 C ATOM 84 C HIS A 6 -0.709 -5.708 -1.254 1.00 20.01 C ATOM 85 O HIS A 6 0.102 -6.052 -0.394 1.00 62.10 O ATOM 86 CB HIS A 6 1.169 -4.809 -2.641 1.00 32.23 C ATOM 87 CG HIS A 6 2.215 -5.794 -3.064 1.00 33.22 C ATOM 88 ND1 HIS A 6 3.337 -5.439 -3.782 1.00 0.54 N ATOM 89 CD2 HIS A 6 2.305 -7.130 -2.865 1.00 30.03 C ATOM 90 CE1 HIS A 6 4.072 -6.513 -4.007 1.00 75.13 C ATOM 91 NE2 HIS A 6 3.468 -7.553 -3.461 1.00 14.12 N ATOM 0 H HIS A 6 -1.087 -3.471 -2.947 1.00 43.34 H new ATOM 0 HA HIS A 6 -0.256 -6.292 -3.261 1.00 14.33 H new ATOM 0 HB2 HIS A 6 1.218 -3.937 -3.293 1.00 32.23 H new ATOM 0 HB3 HIS A 6 1.393 -4.465 -1.631 1.00 32.23 H new ATOM 0 HD2 HIS A 6 1.595 -7.748 -2.336 1.00 30.03 H new ATOM 0 HE1 HIS A 6 5.008 -6.537 -4.546 1.00 75.13 H new ATOM 0 HE2 HIS A 6 3.810 -8.514 -3.479 1.00 14.12 H new ATOM 99 N ASP A 7 -2.012 -5.603 -1.018 1.00 51.12 N ATOM 100 CA ASP A 7 -2.578 -5.893 0.294 1.00 24.52 C ATOM 101 C ASP A 7 -2.960 -7.366 0.407 1.00 1.03 C ATOM 102 O ASP A 7 -3.872 -7.835 -0.273 1.00 51.24 O ATOM 103 CB ASP A 7 -3.803 -5.015 0.551 1.00 4.53 C ATOM 104 CG ASP A 7 -3.513 -3.542 0.339 1.00 11.42 C ATOM 105 OD1 ASP A 7 -4.438 -2.807 -0.068 1.00 62.43 O ATOM 106 OD2 ASP A 7 -2.362 -3.123 0.582 1.00 50.35 O ATOM 0 H ASP A 7 -2.697 -5.319 -1.719 1.00 51.12 H new ATOM 0 HA ASP A 7 -1.820 -5.673 1.046 1.00 24.52 H new ATOM 0 HB2 ASP A 7 -4.612 -5.322 -0.111 1.00 4.53 H new ATOM 0 HB3 ASP A 7 -4.151 -5.171 1.572 1.00 4.53 H new ATOM 111 N SER A 8 -2.255 -8.090 1.271 1.00 73.53 N ATOM 112 CA SER A 8 -2.517 -9.511 1.469 1.00 35.14 C ATOM 113 C SER A 8 -3.836 -9.722 2.207 1.00 20.14 C ATOM 114 O SER A 8 -4.326 -10.845 2.317 1.00 74.15 O ATOM 115 CB SER A 8 -1.373 -10.158 2.252 1.00 61.03 C ATOM 116 OG SER A 8 -1.473 -9.868 3.635 1.00 2.12 O ATOM 0 H SER A 8 -1.499 -7.716 1.844 1.00 73.53 H new ATOM 0 HA SER A 8 -2.589 -9.982 0.489 1.00 35.14 H new ATOM 0 HB2 SER A 8 -1.390 -11.237 2.102 1.00 61.03 H new ATOM 0 HB3 SER A 8 -0.418 -9.798 1.870 1.00 61.03 H new ATOM 0 HG SER A 8 -0.731 -10.294 4.113 1.00 2.12 H new ATOM 122 N GLY A 9 -4.405 -8.632 2.713 1.00 32.01 N ATOM 123 CA GLY A 9 -5.661 -8.718 3.435 1.00 53.23 C ATOM 124 C GLY A 9 -6.724 -7.804 2.859 1.00 55.43 C ATOM 125 O GLY A 9 -7.920 -8.057 3.011 1.00 43.11 O ATOM 0 H GLY A 9 -4.019 -7.691 2.636 1.00 32.01 H new ATOM 0 HA2 GLY A 9 -6.020 -9.747 3.412 1.00 53.23 H new ATOM 0 HA3 GLY A 9 -5.494 -8.462 4.481 1.00 53.23 H new ATOM 129 N TYR A 10 -6.290 -6.737 2.197 1.00 22.00 N ATOM 130 CA TYR A 10 -7.213 -5.779 1.600 1.00 71.52 C ATOM 131 C TYR A 10 -7.443 -6.092 0.124 1.00 33.14 C ATOM 132 O TYR A 10 -8.459 -5.703 -0.452 1.00 24.41 O ATOM 133 CB TYR A 10 -6.674 -4.356 1.753 1.00 33.10 C ATOM 134 CG TYR A 10 -7.687 -3.382 2.312 1.00 61.21 C ATOM 135 CD1 TYR A 10 -8.170 -2.333 1.540 1.00 41.32 C ATOM 136 CD2 TYR A 10 -8.160 -3.511 3.612 1.00 40.32 C ATOM 137 CE1 TYR A 10 -9.095 -1.440 2.046 1.00 3.02 C ATOM 138 CE2 TYR A 10 -9.086 -2.624 4.126 1.00 3.31 C ATOM 139 CZ TYR A 10 -9.550 -1.590 3.340 1.00 42.04 C ATOM 140 OH TYR A 10 -10.471 -0.703 3.849 1.00 61.43 O ATOM 0 H TYR A 10 -5.304 -6.514 2.060 1.00 22.00 H new ATOM 0 HA TYR A 10 -8.166 -5.857 2.123 1.00 71.52 H new ATOM 0 HB2 TYR A 10 -5.802 -4.375 2.406 1.00 33.10 H new ATOM 0 HB3 TYR A 10 -6.336 -3.998 0.781 1.00 33.10 H new ATOM 0 HD1 TYR A 10 -7.816 -2.213 0.527 1.00 41.32 H new ATOM 0 HD2 TYR A 10 -7.798 -4.318 4.231 1.00 40.32 H new ATOM 0 HE1 TYR A 10 -9.460 -0.629 1.432 1.00 3.02 H new ATOM 0 HE2 TYR A 10 -9.445 -2.740 5.138 1.00 3.31 H new ATOM 0 HH TYR A 10 -10.687 -0.950 4.772 1.00 61.43 H new ATOM 150 N GLU A 11 -6.492 -6.798 -0.480 1.00 13.33 N ATOM 151 CA GLU A 11 -6.591 -7.163 -1.888 1.00 0.20 C ATOM 152 C GLU A 11 -6.765 -8.670 -2.048 1.00 63.43 C ATOM 153 O GLU A 11 -6.149 -9.289 -2.917 1.00 10.23 O ATOM 154 CB GLU A 11 -5.346 -6.698 -2.647 1.00 21.44 C ATOM 155 CG GLU A 11 -5.603 -6.400 -4.114 1.00 14.40 C ATOM 156 CD GLU A 11 -5.226 -7.556 -5.020 1.00 12.23 C ATOM 157 OE1 GLU A 11 -6.094 -8.008 -5.796 1.00 42.10 O ATOM 158 OE2 GLU A 11 -4.064 -8.008 -4.952 1.00 75.52 O ATOM 0 H GLU A 11 -5.645 -7.128 -0.017 1.00 13.33 H new ATOM 0 HA GLU A 11 -7.468 -6.667 -2.305 1.00 0.20 H new ATOM 0 HB2 GLU A 11 -4.952 -5.802 -2.167 1.00 21.44 H new ATOM 0 HB3 GLU A 11 -4.576 -7.466 -2.570 1.00 21.44 H new ATOM 0 HG2 GLU A 11 -6.658 -6.164 -4.253 1.00 14.40 H new ATOM 0 HG3 GLU A 11 -5.037 -5.515 -4.406 1.00 14.40 H new ATOM 165 N VAL A 12 -7.608 -9.256 -1.204 1.00 23.13 N ATOM 166 CA VAL A 12 -7.864 -10.691 -1.251 1.00 3.30 C ATOM 167 C VAL A 12 -9.286 -10.980 -1.718 1.00 42.03 C ATOM 168 O VAL A 12 -9.919 -10.147 -2.367 1.00 15.54 O ATOM 169 CB VAL A 12 -7.644 -11.346 0.126 1.00 53.33 C ATOM 170 CG1 VAL A 12 -6.913 -12.671 -0.024 1.00 32.12 C ATOM 171 CG2 VAL A 12 -6.880 -10.407 1.046 1.00 4.52 C ATOM 0 H VAL A 12 -8.126 -8.759 -0.479 1.00 23.13 H new ATOM 0 HA VAL A 12 -7.157 -11.116 -1.964 1.00 3.30 H new ATOM 0 HB VAL A 12 -8.617 -11.545 0.575 1.00 53.33 H new ATOM 0 HG11 VAL A 12 -6.766 -13.119 0.959 1.00 32.12 H new ATOM 0 HG12 VAL A 12 -7.504 -13.344 -0.645 1.00 32.12 H new ATOM 0 HG13 VAL A 12 -5.944 -12.501 -0.493 1.00 32.12 H new ATOM 0 HG21 VAL A 12 -6.733 -10.886 2.014 1.00 4.52 H new ATOM 0 HG22 VAL A 12 -5.910 -10.175 0.605 1.00 4.52 H new ATOM 0 HG23 VAL A 12 -7.448 -9.486 1.179 1.00 4.52 H new ATOM 181 N HIS A 13 -9.783 -12.167 -1.385 1.00 4.15 N ATOM 182 CA HIS A 13 -11.132 -12.567 -1.769 1.00 44.42 C ATOM 183 C HIS A 13 -12.133 -11.454 -1.474 1.00 1.04 C ATOM 184 O HIS A 13 -13.174 -11.352 -2.124 1.00 64.41 O ATOM 185 CB HIS A 13 -11.538 -13.843 -1.032 1.00 63.12 C ATOM 186 CG HIS A 13 -12.914 -13.783 -0.445 1.00 31.54 C ATOM 187 ND1 HIS A 13 -14.035 -14.243 -1.104 1.00 45.11 N ATOM 188 CD2 HIS A 13 -13.347 -13.316 0.750 1.00 75.15 C ATOM 189 CE1 HIS A 13 -15.098 -14.059 -0.342 1.00 23.11 C ATOM 190 NE2 HIS A 13 -14.708 -13.499 0.789 1.00 41.42 N ATOM 0 H HIS A 13 -9.272 -12.869 -0.850 1.00 4.15 H new ATOM 0 HA HIS A 13 -11.136 -12.760 -2.842 1.00 44.42 H new ATOM 0 HB2 HIS A 13 -11.483 -14.685 -1.722 1.00 63.12 H new ATOM 0 HB3 HIS A 13 -10.820 -14.037 -0.235 1.00 63.12 H new ATOM 0 HD2 HIS A 13 -12.736 -12.881 1.527 1.00 75.15 H new ATOM 0 HE1 HIS A 13 -16.113 -14.322 -0.600 1.00 23.11 H new ATOM 0 HE2 HIS A 13 -15.318 -13.244 1.565 1.00 41.42 H new ATOM 198 N HIS A 14 -11.812 -10.622 -0.488 1.00 0.02 N ATOM 199 CA HIS A 14 -12.684 -9.517 -0.106 1.00 3.31 C ATOM 200 C HIS A 14 -13.207 -8.787 -1.339 1.00 55.21 C ATOM 201 O HIS A 14 -14.359 -8.354 -1.372 1.00 70.04 O ATOM 202 CB HIS A 14 -11.935 -8.539 0.800 1.00 14.24 C ATOM 203 CG HIS A 14 -12.760 -8.030 1.942 1.00 1.43 C ATOM 204 ND1 HIS A 14 -14.104 -7.741 1.831 1.00 62.54 N ATOM 205 CD2 HIS A 14 -12.424 -7.759 3.225 1.00 30.03 C ATOM 206 CE1 HIS A 14 -14.558 -7.314 2.995 1.00 54.10 C ATOM 207 NE2 HIS A 14 -13.559 -7.316 3.859 1.00 40.44 N ATOM 0 H HIS A 14 -10.955 -10.692 0.061 1.00 0.02 H new ATOM 0 HA HIS A 14 -13.534 -9.928 0.439 1.00 3.31 H new ATOM 0 HB2 HIS A 14 -11.046 -9.030 1.195 1.00 14.24 H new ATOM 0 HB3 HIS A 14 -11.593 -7.693 0.204 1.00 14.24 H new ATOM 0 HD2 HIS A 14 -11.445 -7.870 3.668 1.00 30.03 H new ATOM 0 HE1 HIS A 14 -15.574 -7.014 3.205 1.00 54.10 H new ATOM 0 HE2 HIS A 14 -13.620 -7.034 4.837 1.00 40.44 H new ATOM 215 N GLN A 15 -12.354 -8.654 -2.349 1.00 42.21 N ATOM 216 CA GLN A 15 -12.731 -7.975 -3.583 1.00 51.22 C ATOM 217 C GLN A 15 -12.241 -8.749 -4.802 1.00 71.23 C ATOM 218 O GLN A 15 -11.182 -9.376 -4.769 1.00 31.34 O ATOM 219 CB GLN A 15 -12.162 -6.555 -3.603 1.00 61.15 C ATOM 220 CG GLN A 15 -10.687 -6.486 -3.243 1.00 1.24 C ATOM 221 CD GLN A 15 -9.790 -6.997 -4.353 1.00 22.14 C ATOM 222 OE1 GLN A 15 -9.859 -6.527 -5.488 1.00 44.45 O ATOM 223 NE2 GLN A 15 -8.941 -7.966 -4.029 1.00 51.14 N ATOM 0 H GLN A 15 -11.397 -9.007 -2.337 1.00 42.21 H new ATOM 0 HA GLN A 15 -13.819 -7.923 -3.622 1.00 51.22 H new ATOM 0 HB2 GLN A 15 -12.305 -6.129 -4.596 1.00 61.15 H new ATOM 0 HB3 GLN A 15 -12.727 -5.936 -2.906 1.00 61.15 H new ATOM 0 HG2 GLN A 15 -10.421 -5.454 -3.012 1.00 1.24 H new ATOM 0 HG3 GLN A 15 -10.510 -7.070 -2.340 1.00 1.24 H new ATOM 0 HE21 GLN A 15 -8.918 -8.326 -3.075 1.00 51.14 H new ATOM 0 HE22 GLN A 15 -8.312 -8.350 -4.734 1.00 51.14 H new ATOM 232 N LYS A 16 -13.019 -8.702 -5.879 1.00 4.03 N ATOM 233 CA LYS A 16 -12.665 -9.398 -7.110 1.00 44.00 C ATOM 234 C LYS A 16 -13.759 -9.237 -8.160 1.00 33.31 C ATOM 235 O LYS A 16 -13.489 -9.259 -9.362 1.00 33.34 O ATOM 236 CB LYS A 16 -12.426 -10.883 -6.830 1.00 21.41 C ATOM 237 CG LYS A 16 -12.392 -11.741 -8.083 1.00 54.01 C ATOM 238 CD LYS A 16 -11.448 -12.921 -7.927 1.00 4.45 C ATOM 239 CE LYS A 16 -11.847 -14.078 -8.829 1.00 30.23 C ATOM 240 NZ LYS A 16 -10.730 -15.045 -9.017 1.00 74.41 N ATOM 0 H LYS A 16 -13.899 -8.189 -5.924 1.00 4.03 H new ATOM 0 HA LYS A 16 -11.747 -8.956 -7.497 1.00 44.00 H new ATOM 0 HB2 LYS A 16 -11.482 -10.996 -6.297 1.00 21.41 H new ATOM 0 HB3 LYS A 16 -13.211 -11.250 -6.169 1.00 21.41 H new ATOM 0 HG2 LYS A 16 -13.396 -12.104 -8.303 1.00 54.01 H new ATOM 0 HG3 LYS A 16 -12.079 -11.134 -8.932 1.00 54.01 H new ATOM 0 HD2 LYS A 16 -10.431 -12.608 -8.163 1.00 4.45 H new ATOM 0 HD3 LYS A 16 -11.446 -13.252 -6.888 1.00 4.45 H new ATOM 0 HE2 LYS A 16 -12.706 -14.594 -8.400 1.00 30.23 H new ATOM 0 HE3 LYS A 16 -12.160 -13.691 -9.799 1.00 30.23 H new ATOM 0 HZ1 LYS A 16 -11.042 -15.819 -9.638 1.00 74.41 H new ATOM 0 HZ2 LYS A 16 -9.919 -14.559 -9.450 1.00 74.41 H new ATOM 0 HZ3 LYS A 16 -10.448 -15.433 -8.094 1.00 74.41 H new ATOM 254 N LEU A 17 -14.995 -9.074 -7.700 1.00 23.34 N ATOM 255 CA LEU A 17 -16.131 -8.908 -8.599 1.00 42.05 C ATOM 256 C LEU A 17 -16.577 -7.450 -8.649 1.00 72.33 C ATOM 257 O LEU A 17 -17.249 -7.028 -9.590 1.00 52.42 O ATOM 258 CB LEU A 17 -17.295 -9.795 -8.153 1.00 5.43 C ATOM 259 CG LEU A 17 -17.260 -11.244 -8.640 1.00 3.33 C ATOM 260 CD1 LEU A 17 -17.392 -11.301 -10.154 1.00 21.34 C ATOM 261 CD2 LEU A 17 -15.978 -11.927 -8.188 1.00 25.50 C ATOM 0 H LEU A 17 -15.236 -9.053 -6.709 1.00 23.34 H new ATOM 0 HA LEU A 17 -15.818 -9.208 -9.599 1.00 42.05 H new ATOM 0 HB2 LEU A 17 -17.325 -9.800 -7.063 1.00 5.43 H new ATOM 0 HB3 LEU A 17 -18.224 -9.340 -8.496 1.00 5.43 H new ATOM 0 HG LEU A 17 -18.105 -11.776 -8.202 1.00 3.33 H new ATOM 0 HD11 LEU A 17 -17.365 -12.340 -10.483 1.00 21.34 H new ATOM 0 HD12 LEU A 17 -18.338 -10.850 -10.454 1.00 21.34 H new ATOM 0 HD13 LEU A 17 -16.568 -10.754 -10.612 1.00 21.34 H new ATOM 0 HD21 LEU A 17 -15.970 -12.957 -8.543 1.00 25.50 H new ATOM 0 HD22 LEU A 17 -15.119 -11.395 -8.597 1.00 25.50 H new ATOM 0 HD23 LEU A 17 -15.925 -11.918 -7.099 1.00 25.50 H new ATOM 273 N VAL A 18 -16.197 -6.685 -7.631 1.00 32.22 N ATOM 274 CA VAL A 18 -16.555 -5.274 -7.560 1.00 12.33 C ATOM 275 C VAL A 18 -15.588 -4.420 -8.373 1.00 14.15 C ATOM 276 O VAL A 18 -15.702 -3.194 -8.405 1.00 73.43 O ATOM 277 CB VAL A 18 -16.568 -4.770 -6.104 1.00 71.51 C ATOM 278 CG1 VAL A 18 -15.151 -4.667 -5.562 1.00 44.01 C ATOM 279 CG2 VAL A 18 -17.283 -3.431 -6.010 1.00 43.22 C ATOM 0 H VAL A 18 -15.641 -7.019 -6.844 1.00 32.22 H new ATOM 0 HA VAL A 18 -17.557 -5.181 -7.978 1.00 12.33 H new ATOM 0 HB VAL A 18 -17.113 -5.490 -5.493 1.00 71.51 H new ATOM 0 HG11 VAL A 18 -15.180 -4.309 -4.533 1.00 44.01 H new ATOM 0 HG12 VAL A 18 -14.678 -5.648 -5.592 1.00 44.01 H new ATOM 0 HG13 VAL A 18 -14.578 -3.969 -6.172 1.00 44.01 H new ATOM 0 HG21 VAL A 18 -17.283 -3.090 -4.975 1.00 43.22 H new ATOM 0 HG22 VAL A 18 -16.769 -2.699 -6.633 1.00 43.22 H new ATOM 0 HG23 VAL A 18 -18.311 -3.542 -6.355 1.00 43.22 H new ATOM 289 N PHE A 19 -14.637 -5.075 -9.028 1.00 65.53 N ATOM 290 CA PHE A 19 -13.648 -4.377 -9.842 1.00 14.42 C ATOM 291 C PHE A 19 -14.134 -4.230 -11.281 1.00 21.31 C ATOM 292 O PHE A 19 -13.346 -3.971 -12.191 1.00 2.45 O ATOM 293 CB PHE A 19 -12.314 -5.125 -9.815 1.00 42.43 C ATOM 294 CG PHE A 19 -11.159 -4.308 -10.320 1.00 3.34 C ATOM 295 CD1 PHE A 19 -10.880 -3.066 -9.772 1.00 52.33 C ATOM 296 CD2 PHE A 19 -10.352 -4.782 -11.341 1.00 43.44 C ATOM 297 CE1 PHE A 19 -9.818 -2.311 -10.234 1.00 23.52 C ATOM 298 CE2 PHE A 19 -9.288 -4.032 -11.807 1.00 23.24 C ATOM 299 CZ PHE A 19 -9.021 -2.795 -11.253 1.00 71.10 C ATOM 0 H PHE A 19 -14.529 -6.089 -9.012 1.00 65.53 H new ATOM 0 HA PHE A 19 -13.506 -3.381 -9.422 1.00 14.42 H new ATOM 0 HB2 PHE A 19 -12.105 -5.443 -8.793 1.00 42.43 H new ATOM 0 HB3 PHE A 19 -12.401 -6.029 -10.418 1.00 42.43 H new ATOM 0 HD1 PHE A 19 -11.500 -2.683 -8.974 1.00 52.33 H new ATOM 0 HD2 PHE A 19 -10.556 -5.748 -11.778 1.00 43.44 H new ATOM 0 HE1 PHE A 19 -9.612 -1.344 -9.799 1.00 23.52 H new ATOM 0 HE2 PHE A 19 -8.666 -4.413 -12.604 1.00 23.24 H new ATOM 0 HZ PHE A 19 -8.191 -2.207 -11.616 1.00 71.10 H new ATOM 309 N PHE A 20 -15.437 -4.400 -11.480 1.00 1.35 N ATOM 310 CA PHE A 20 -16.029 -4.288 -12.808 1.00 24.43 C ATOM 311 C PHE A 20 -17.488 -3.852 -12.718 1.00 71.51 C ATOM 312 O PHE A 20 -18.262 -4.040 -13.656 1.00 61.44 O ATOM 313 CB PHE A 20 -15.928 -5.624 -13.548 1.00 1.14 C ATOM 314 CG PHE A 20 -14.859 -5.646 -14.602 1.00 43.22 C ATOM 315 CD1 PHE A 20 -14.886 -4.744 -15.654 1.00 23.12 C ATOM 316 CD2 PHE A 20 -13.827 -6.569 -14.542 1.00 41.42 C ATOM 317 CE1 PHE A 20 -13.903 -4.761 -16.626 1.00 31.32 C ATOM 318 CE2 PHE A 20 -12.841 -6.590 -15.511 1.00 34.30 C ATOM 319 CZ PHE A 20 -12.880 -5.686 -16.555 1.00 32.43 C ATOM 0 H PHE A 20 -16.103 -4.616 -10.738 1.00 1.35 H new ATOM 0 HA PHE A 20 -15.476 -3.530 -13.363 1.00 24.43 H new ATOM 0 HB2 PHE A 20 -15.731 -6.416 -12.826 1.00 1.14 H new ATOM 0 HB3 PHE A 20 -16.889 -5.847 -14.012 1.00 1.14 H new ATOM 0 HD1 PHE A 20 -15.684 -4.019 -15.715 1.00 23.12 H new ATOM 0 HD2 PHE A 20 -13.793 -7.280 -13.729 1.00 41.42 H new ATOM 0 HE1 PHE A 20 -13.935 -4.052 -17.440 1.00 31.32 H new ATOM 0 HE2 PHE A 20 -12.041 -7.313 -15.452 1.00 34.30 H new ATOM 0 HZ PHE A 20 -12.112 -5.703 -17.314 1.00 32.43 H new ATOM 329 N ALA A 21 -17.857 -3.270 -11.582 1.00 3.21 N ATOM 330 CA ALA A 21 -19.222 -2.806 -11.369 1.00 40.32 C ATOM 331 C ALA A 21 -19.257 -1.304 -11.106 1.00 23.12 C ATOM 332 O ALA A 21 -20.230 -0.629 -11.439 1.00 31.21 O ATOM 333 CB ALA A 21 -19.862 -3.561 -10.214 1.00 32.10 C ATOM 0 H ALA A 21 -17.229 -3.109 -10.795 1.00 3.21 H new ATOM 0 HA ALA A 21 -19.792 -3.003 -12.277 1.00 40.32 H new ATOM 0 HB1 ALA A 21 -20.881 -3.204 -10.066 1.00 32.10 H new ATOM 0 HB2 ALA A 21 -19.880 -4.627 -10.442 1.00 32.10 H new ATOM 0 HB3 ALA A 21 -19.284 -3.394 -9.305 1.00 32.10 H new ATOM 339 N GLU A 22 -18.189 -0.788 -10.506 1.00 25.34 N ATOM 340 CA GLU A 22 -18.099 0.634 -10.197 1.00 31.14 C ATOM 341 C GLU A 22 -17.694 1.434 -11.431 1.00 2.40 C ATOM 342 O GLU A 22 -16.679 2.132 -11.426 1.00 72.42 O ATOM 343 CB GLU A 22 -17.093 0.871 -9.068 1.00 41.15 C ATOM 344 CG GLU A 22 -17.436 2.060 -8.187 1.00 33.13 C ATOM 345 CD GLU A 22 -18.829 1.964 -7.595 1.00 52.51 C ATOM 346 OE1 GLU A 22 -19.709 2.742 -8.022 1.00 22.31 O ATOM 347 OE2 GLU A 22 -19.040 1.114 -6.706 1.00 23.41 O ATOM 0 H GLU A 22 -17.374 -1.333 -10.224 1.00 25.34 H new ATOM 0 HA GLU A 22 -19.083 0.972 -9.873 1.00 31.14 H new ATOM 0 HB2 GLU A 22 -17.036 -0.025 -8.449 1.00 41.15 H new ATOM 0 HB3 GLU A 22 -16.104 1.023 -9.500 1.00 41.15 H new ATOM 0 HG2 GLU A 22 -16.707 2.132 -7.380 1.00 33.13 H new ATOM 0 HG3 GLU A 22 -17.356 2.976 -8.772 1.00 33.13 H new ATOM 354 N ASP A 23 -18.494 1.328 -12.486 1.00 44.23 N ATOM 355 CA ASP A 23 -18.220 2.042 -13.728 1.00 63.12 C ATOM 356 C ASP A 23 -19.370 1.875 -14.716 1.00 14.43 C ATOM 357 O ASP A 23 -19.721 2.807 -15.440 1.00 2.53 O ATOM 358 CB ASP A 23 -16.918 1.539 -14.354 1.00 4.33 C ATOM 359 CG ASP A 23 -16.715 2.058 -15.764 1.00 21.42 C ATOM 360 OD1 ASP A 23 -15.952 3.032 -15.934 1.00 54.13 O ATOM 361 OD2 ASP A 23 -17.318 1.488 -16.697 1.00 51.42 O ATOM 0 H ASP A 23 -19.337 0.755 -12.506 1.00 44.23 H new ATOM 0 HA ASP A 23 -18.116 3.101 -13.493 1.00 63.12 H new ATOM 0 HB2 ASP A 23 -16.077 1.846 -13.732 1.00 4.33 H new ATOM 0 HB3 ASP A 23 -16.922 0.449 -14.368 1.00 4.33 H new ATOM 366 N VAL A 24 -19.954 0.681 -14.741 1.00 13.54 N ATOM 367 CA VAL A 24 -21.065 0.392 -15.639 1.00 55.42 C ATOM 368 C VAL A 24 -22.204 1.387 -15.443 1.00 41.21 C ATOM 369 O VAL A 24 -22.689 1.989 -16.401 1.00 25.34 O ATOM 370 CB VAL A 24 -21.603 -1.035 -15.426 1.00 32.14 C ATOM 371 CG1 VAL A 24 -22.722 -1.337 -16.411 1.00 62.40 C ATOM 372 CG2 VAL A 24 -20.479 -2.052 -15.554 1.00 33.11 C ATOM 0 H VAL A 24 -19.676 -0.102 -14.149 1.00 13.54 H new ATOM 0 HA VAL A 24 -20.681 0.479 -16.655 1.00 55.42 H new ATOM 0 HB VAL A 24 -22.012 -1.104 -14.418 1.00 32.14 H new ATOM 0 HG11 VAL A 24 -23.089 -2.350 -16.245 1.00 62.40 H new ATOM 0 HG12 VAL A 24 -23.536 -0.627 -16.265 1.00 62.40 H new ATOM 0 HG13 VAL A 24 -22.343 -1.251 -17.429 1.00 62.40 H new ATOM 0 HG21 VAL A 24 -20.877 -3.055 -15.401 1.00 33.11 H new ATOM 0 HG22 VAL A 24 -20.039 -1.984 -16.549 1.00 33.11 H new ATOM 0 HG23 VAL A 24 -19.715 -1.846 -14.804 1.00 33.11 H new ATOM 382 N GLY A 25 -22.627 1.556 -14.194 1.00 4.13 N ATOM 383 CA GLY A 25 -23.705 2.480 -13.894 1.00 31.41 C ATOM 384 C GLY A 25 -23.384 3.901 -14.311 1.00 2.13 C ATOM 385 O GLY A 25 -24.271 4.653 -14.714 1.00 74.54 O ATOM 0 H GLY A 25 -22.242 1.069 -13.384 1.00 4.13 H new ATOM 0 HA2 GLY A 25 -24.612 2.152 -14.401 1.00 31.41 H new ATOM 0 HA3 GLY A 25 -23.912 2.457 -12.824 1.00 31.41 H new ATOM 389 N SER A 26 -22.111 4.272 -14.212 1.00 32.04 N ATOM 390 CA SER A 26 -21.676 5.615 -14.576 1.00 42.04 C ATOM 391 C SER A 26 -20.240 5.599 -15.093 1.00 13.11 C ATOM 392 O SER A 26 -19.291 5.490 -14.318 1.00 35.24 O ATOM 393 CB SER A 26 -21.787 6.554 -13.374 1.00 3.22 C ATOM 394 OG SER A 26 -21.583 5.854 -12.159 1.00 63.41 O ATOM 0 H SER A 26 -21.363 3.661 -13.883 1.00 32.04 H new ATOM 0 HA SER A 26 -22.327 5.978 -15.372 1.00 42.04 H new ATOM 0 HB2 SER A 26 -21.052 7.354 -13.464 1.00 3.22 H new ATOM 0 HB3 SER A 26 -22.770 7.024 -13.366 1.00 3.22 H new ATOM 0 HG SER A 26 -21.657 6.477 -11.406 1.00 63.41 H new ATOM 414 N LYS A 28 -18.519 7.992 -16.259 1.00 25.01 N ATOM 415 CA LYS A 28 -18.088 9.383 -16.332 1.00 11.22 C ATOM 416 C LYS A 28 -17.249 9.758 -15.114 1.00 61.43 C ATOM 417 O LYS A 28 -16.645 8.897 -14.476 1.00 33.52 O ATOM 418 CB LYS A 28 -19.302 10.310 -16.432 1.00 72.50 C ATOM 419 CG LYS A 28 -20.365 9.817 -17.398 1.00 72.54 C ATOM 420 CD LYS A 28 -19.858 9.812 -18.831 1.00 23.44 C ATOM 421 CE LYS A 28 -20.861 9.167 -19.775 1.00 42.31 C ATOM 422 NZ LYS A 28 -20.975 9.916 -21.057 1.00 74.03 N ATOM 0 HA LYS A 28 -17.474 9.500 -17.225 1.00 11.22 H new ATOM 0 HB2 LYS A 28 -19.746 10.422 -15.443 1.00 72.50 H new ATOM 0 HB3 LYS A 28 -18.969 11.299 -16.746 1.00 72.50 H new ATOM 0 HG2 LYS A 28 -20.674 8.810 -17.117 1.00 72.54 H new ATOM 0 HG3 LYS A 28 -21.247 10.453 -17.325 1.00 72.54 H new ATOM 0 HD2 LYS A 28 -19.661 10.835 -19.152 1.00 23.44 H new ATOM 0 HD3 LYS A 28 -18.911 9.274 -18.881 1.00 23.44 H new ATOM 0 HE2 LYS A 28 -20.559 8.140 -19.980 1.00 42.31 H new ATOM 0 HE3 LYS A 28 -21.837 9.122 -19.292 1.00 42.31 H new ATOM 0 HZ1 LYS A 28 -21.668 9.445 -21.674 1.00 74.03 H new ATOM 0 HZ2 LYS A 28 -21.288 10.889 -20.864 1.00 74.03 H new ATOM 0 HZ3 LYS A 28 -20.049 9.937 -21.530 1.00 74.03 H new ATOM 436 N GLY A 29 -17.217 11.049 -14.797 1.00 63.45 N ATOM 437 CA GLY A 29 -16.450 11.513 -13.657 1.00 3.55 C ATOM 438 C GLY A 29 -15.022 11.004 -13.671 1.00 72.20 C ATOM 439 O GLY A 29 -14.433 10.758 -12.619 1.00 33.41 O ATOM 0 H GLY A 29 -17.709 11.781 -15.310 1.00 63.45 H new ATOM 0 HA2 GLY A 29 -16.444 12.603 -13.647 1.00 3.55 H new ATOM 0 HA3 GLY A 29 -16.939 11.189 -12.738 1.00 3.55 H new ATOM 443 N ALA A 30 -14.465 10.844 -14.867 1.00 21.42 N ATOM 444 CA ALA A 30 -13.098 10.360 -15.014 1.00 3.12 C ATOM 445 C ALA A 30 -12.666 10.371 -16.476 1.00 61.43 C ATOM 446 O ALA A 30 -11.498 10.607 -16.787 1.00 21.44 O ATOM 447 CB ALA A 30 -12.968 8.960 -14.433 1.00 63.21 C ATOM 0 H ALA A 30 -14.939 11.042 -15.748 1.00 21.42 H new ATOM 0 HA ALA A 30 -12.440 11.032 -14.463 1.00 3.12 H new ATOM 0 HB1 ALA A 30 -11.942 8.611 -14.550 1.00 63.21 H new ATOM 0 HB2 ALA A 30 -13.226 8.980 -13.374 1.00 63.21 H new ATOM 0 HB3 ALA A 30 -13.643 8.284 -14.958 1.00 63.21 H new ATOM 453 N ILE A 31 -13.615 10.113 -17.370 1.00 64.22 N ATOM 454 CA ILE A 31 -13.331 10.093 -18.800 1.00 13.11 C ATOM 455 C ILE A 31 -14.154 11.144 -19.538 1.00 32.41 C ATOM 456 O ILE A 31 -14.630 10.906 -20.649 1.00 2.24 O ATOM 457 CB ILE A 31 -13.619 8.709 -19.412 1.00 4.32 C ATOM 458 CG1 ILE A 31 -13.804 7.667 -18.307 1.00 13.53 C ATOM 459 CG2 ILE A 31 -12.492 8.300 -20.349 1.00 10.31 C ATOM 460 CD1 ILE A 31 -13.775 6.241 -18.810 1.00 15.22 C ATOM 0 H ILE A 31 -14.586 9.915 -17.130 1.00 64.22 H new ATOM 0 HA ILE A 31 -12.271 10.318 -18.915 1.00 13.11 H new ATOM 0 HB ILE A 31 -14.542 8.768 -19.988 1.00 4.32 H new ATOM 0 HG12 ILE A 31 -13.019 7.797 -17.562 1.00 13.53 H new ATOM 0 HG13 ILE A 31 -14.754 7.847 -17.804 1.00 13.53 H new ATOM 0 HG21 ILE A 31 -12.710 7.320 -20.774 1.00 10.31 H new ATOM 0 HG22 ILE A 31 -12.403 9.032 -21.152 1.00 10.31 H new ATOM 0 HG23 ILE A 31 -11.555 8.255 -19.793 1.00 10.31 H new ATOM 0 HD11 ILE A 31 -13.912 5.557 -17.973 1.00 15.22 H new ATOM 0 HD12 ILE A 31 -14.577 6.094 -19.534 1.00 15.22 H new ATOM 0 HD13 ILE A 31 -12.815 6.043 -19.287 1.00 15.22 H new ATOM 472 N ILE A 32 -14.317 12.305 -18.914 1.00 4.50 N ATOM 473 CA ILE A 32 -15.079 13.394 -19.513 1.00 75.50 C ATOM 474 C ILE A 32 -14.285 14.076 -20.621 1.00 55.44 C ATOM 475 O ILE A 32 -14.856 14.711 -21.508 1.00 30.14 O ATOM 476 CB ILE A 32 -15.481 14.445 -18.462 1.00 2.12 C ATOM 477 CG1 ILE A 32 -16.197 15.620 -19.131 1.00 61.23 C ATOM 478 CG2 ILE A 32 -14.255 14.929 -17.702 1.00 20.45 C ATOM 479 CD1 ILE A 32 -17.432 15.213 -19.904 1.00 41.35 C ATOM 0 H ILE A 32 -13.932 12.516 -17.994 1.00 4.50 H new ATOM 0 HA ILE A 32 -15.981 12.952 -19.936 1.00 75.50 H new ATOM 0 HB ILE A 32 -16.167 13.983 -17.752 1.00 2.12 H new ATOM 0 HG12 ILE A 32 -16.478 16.346 -18.368 1.00 61.23 H new ATOM 0 HG13 ILE A 32 -15.504 16.121 -19.807 1.00 61.23 H new ATOM 0 HG21 ILE A 32 -14.555 15.672 -16.963 1.00 20.45 H new ATOM 0 HG22 ILE A 32 -13.783 14.086 -17.198 1.00 20.45 H new ATOM 0 HG23 ILE A 32 -13.548 15.377 -18.400 1.00 20.45 H new ATOM 0 HD11 ILE A 32 -17.889 16.096 -20.351 1.00 41.35 H new ATOM 0 HD12 ILE A 32 -17.154 14.510 -20.690 1.00 41.35 H new ATOM 0 HD13 ILE A 32 -18.144 14.739 -19.229 1.00 41.35 H new ATOM 491 N GLY A 33 -12.964 13.940 -20.566 1.00 0.13 N ATOM 492 CA GLY A 33 -12.112 14.548 -21.571 1.00 75.15 C ATOM 493 C GLY A 33 -11.563 13.534 -22.556 1.00 13.24 C ATOM 494 O GLY A 33 -10.999 13.902 -23.587 1.00 60.40 O ATOM 0 H GLY A 33 -12.468 13.419 -19.843 1.00 0.13 H new ATOM 0 HA2 GLY A 33 -12.678 15.306 -22.112 1.00 75.15 H new ATOM 0 HA3 GLY A 33 -11.284 15.059 -21.080 1.00 75.15 H new ATOM 498 N LEU A 34 -11.726 12.255 -22.237 1.00 74.24 N ATOM 499 CA LEU A 34 -11.241 11.184 -23.101 1.00 30.21 C ATOM 500 C LEU A 34 -12.403 10.440 -23.751 1.00 70.13 C ATOM 501 O LEU A 34 -12.248 9.831 -24.809 1.00 73.14 O ATOM 502 CB LEU A 34 -10.380 10.206 -22.299 1.00 43.42 C ATOM 503 CG LEU A 34 -8.896 10.164 -22.665 1.00 5.13 C ATOM 504 CD1 LEU A 34 -8.124 9.315 -21.666 1.00 41.42 C ATOM 505 CD2 LEU A 34 -8.709 9.630 -24.078 1.00 12.35 C ATOM 0 H LEU A 34 -12.190 11.934 -21.387 1.00 74.24 H new ATOM 0 HA LEU A 34 -10.635 11.632 -23.888 1.00 30.21 H new ATOM 0 HB2 LEU A 34 -10.466 10.459 -21.242 1.00 43.42 H new ATOM 0 HB3 LEU A 34 -10.793 9.205 -22.422 1.00 43.42 H new ATOM 0 HG LEU A 34 -8.504 11.180 -22.628 1.00 5.13 H new ATOM 0 HD11 LEU A 34 -7.070 9.296 -21.942 1.00 41.42 H new ATOM 0 HD12 LEU A 34 -8.230 9.741 -20.668 1.00 41.42 H new ATOM 0 HD13 LEU A 34 -8.518 8.299 -21.671 1.00 41.42 H new ATOM 0 HD21 LEU A 34 -7.647 9.607 -24.321 1.00 12.35 H new ATOM 0 HD22 LEU A 34 -9.118 8.622 -24.143 1.00 12.35 H new ATOM 0 HD23 LEU A 34 -9.229 10.278 -24.784 1.00 12.35 H new ATOM 517 N MET A 35 -13.567 10.496 -23.112 1.00 22.10 N ATOM 518 CA MET A 35 -14.756 9.830 -23.631 1.00 10.14 C ATOM 519 C MET A 35 -15.862 10.840 -23.919 1.00 51.04 C ATOM 520 O MET A 35 -17.035 10.480 -24.018 1.00 32.31 O ATOM 521 CB MET A 35 -15.255 8.781 -22.635 1.00 5.12 C ATOM 522 CG MET A 35 -15.746 7.503 -23.294 1.00 61.50 C ATOM 523 SD MET A 35 -17.361 6.982 -22.683 1.00 5.30 S ATOM 524 CE MET A 35 -16.979 6.641 -20.966 1.00 52.45 C ATOM 0 H MET A 35 -13.712 10.995 -22.235 1.00 22.10 H new ATOM 0 HA MET A 35 -14.487 9.336 -24.564 1.00 10.14 H new ATOM 0 HB2 MET A 35 -14.449 8.537 -21.943 1.00 5.12 H new ATOM 0 HB3 MET A 35 -16.064 9.209 -22.044 1.00 5.12 H new ATOM 0 HG2 MET A 35 -15.801 7.653 -24.372 1.00 61.50 H new ATOM 0 HG3 MET A 35 -15.022 6.707 -23.119 1.00 61.50 H new ATOM 0 HE1 MET A 35 -17.903 6.463 -20.416 1.00 52.45 H new ATOM 0 HE2 MET A 35 -16.343 5.758 -20.903 1.00 52.45 H new ATOM 0 HE3 MET A 35 -16.458 7.495 -20.533 1.00 52.45 H new ATOM 534 N VAL A 36 -15.481 12.106 -24.054 1.00 1.41 N ATOM 535 CA VAL A 36 -16.441 13.168 -24.332 1.00 45.22 C ATOM 536 C VAL A 36 -15.747 14.400 -24.902 1.00 42.40 C ATOM 537 O VAL A 36 -16.263 15.053 -25.808 1.00 13.22 O ATOM 538 CB VAL A 36 -17.216 13.570 -23.064 1.00 15.02 C ATOM 539 CG1 VAL A 36 -17.575 15.048 -23.103 1.00 34.42 C ATOM 540 CG2 VAL A 36 -18.464 12.714 -22.909 1.00 73.34 C ATOM 0 H VAL A 36 -14.514 12.421 -23.975 1.00 1.41 H new ATOM 0 HA VAL A 36 -17.143 12.776 -25.068 1.00 45.22 H new ATOM 0 HB VAL A 36 -16.576 13.399 -22.199 1.00 15.02 H new ATOM 0 HG11 VAL A 36 -18.122 15.313 -22.199 1.00 34.42 H new ATOM 0 HG12 VAL A 36 -16.663 15.642 -23.163 1.00 34.42 H new ATOM 0 HG13 VAL A 36 -18.197 15.248 -23.975 1.00 34.42 H new ATOM 0 HG21 VAL A 36 -19.000 13.012 -22.008 1.00 73.34 H new ATOM 0 HG22 VAL A 36 -19.109 12.851 -23.777 1.00 73.34 H new ATOM 0 HG23 VAL A 36 -18.178 11.665 -22.832 1.00 73.34 H new ATOM 550 N GLY A 37 -14.571 14.713 -24.365 1.00 34.15 N ATOM 551 CA GLY A 37 -13.825 15.866 -24.832 1.00 50.23 C ATOM 552 C GLY A 37 -13.553 15.815 -26.323 1.00 3.15 C ATOM 553 O GLY A 37 -12.689 15.066 -26.778 1.00 12.34 O ATOM 0 H GLY A 37 -14.122 14.188 -23.615 1.00 34.15 H new ATOM 0 HA2 GLY A 37 -14.381 16.774 -24.598 1.00 50.23 H new ATOM 0 HA3 GLY A 37 -12.878 15.925 -24.295 1.00 50.23 H new ATOM 557 N GLY A 38 -14.293 16.613 -27.086 1.00 11.52 N ATOM 558 CA GLY A 38 -14.113 16.639 -28.526 1.00 11.44 C ATOM 559 C GLY A 38 -14.848 15.511 -29.222 1.00 51.41 C ATOM 560 O GLY A 38 -14.528 15.160 -30.358 1.00 20.03 O ATOM 0 H GLY A 38 -15.014 17.242 -26.733 1.00 11.52 H new ATOM 0 HA2 GLY A 38 -14.466 17.594 -28.916 1.00 11.44 H new ATOM 0 HA3 GLY A 38 -13.050 16.573 -28.758 1.00 11.44 H new ATOM 564 N VAL A 39 -15.836 14.941 -28.540 1.00 20.40 N ATOM 565 CA VAL A 39 -16.618 13.845 -29.100 1.00 13.01 C ATOM 566 C VAL A 39 -18.087 14.230 -29.232 1.00 15.13 C ATOM 567 O VAL A 39 -18.596 14.412 -30.338 1.00 31.30 O ATOM 568 CB VAL A 39 -16.507 12.576 -28.234 1.00 12.21 C ATOM 569 CG1 VAL A 39 -17.322 11.443 -28.839 1.00 52.41 C ATOM 570 CG2 VAL A 39 -15.051 12.168 -28.071 1.00 43.44 C ATOM 0 H VAL A 39 -16.114 15.220 -27.599 1.00 20.40 H new ATOM 0 HA VAL A 39 -16.209 13.638 -30.089 1.00 13.01 H new ATOM 0 HB VAL A 39 -16.912 12.795 -27.246 1.00 12.21 H new ATOM 0 HG11 VAL A 39 -17.231 10.555 -28.213 1.00 52.41 H new ATOM 0 HG12 VAL A 39 -18.369 11.740 -28.898 1.00 52.41 H new ATOM 0 HG13 VAL A 39 -16.950 11.221 -29.839 1.00 52.41 H new ATOM 0 HG21 VAL A 39 -14.991 11.270 -27.456 1.00 43.44 H new ATOM 0 HG22 VAL A 39 -14.618 11.967 -29.051 1.00 43.44 H new ATOM 0 HG23 VAL A 39 -14.499 12.975 -27.589 1.00 43.44 H new ATOM 580 N VAL A 40 -18.765 14.354 -28.095 1.00 34.10 N ATOM 581 CA VAL A 40 -20.177 14.719 -28.083 1.00 2.45 C ATOM 582 C VAL A 40 -20.368 16.158 -27.614 1.00 70.42 C ATOM 583 O VAL A 40 -21.437 16.525 -27.127 1.00 55.30 O ATOM 584 CB VAL A 40 -20.991 13.782 -27.172 1.00 34.15 C ATOM 585 CG1 VAL A 40 -20.730 14.100 -25.707 1.00 52.33 C ATOM 586 CG2 VAL A 40 -22.475 13.885 -27.492 1.00 21.02 C ATOM 0 H VAL A 40 -18.359 14.207 -27.171 1.00 34.10 H new ATOM 0 HA VAL A 40 -20.538 14.622 -29.107 1.00 2.45 H new ATOM 0 HB VAL A 40 -20.672 12.756 -27.358 1.00 34.15 H new ATOM 0 HG11 VAL A 40 -21.314 13.427 -25.079 1.00 52.33 H new ATOM 0 HG12 VAL A 40 -19.670 13.970 -25.490 1.00 52.33 H new ATOM 0 HG13 VAL A 40 -21.019 15.131 -25.501 1.00 52.33 H new ATOM 0 HG21 VAL A 40 -23.035 13.216 -26.839 1.00 21.02 H new ATOM 0 HG22 VAL A 40 -22.811 14.910 -27.336 1.00 21.02 H new ATOM 0 HG23 VAL A 40 -22.644 13.603 -28.531 1.00 21.02 H new