USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 288 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 9 THR OG1 : rot 75:sc= -0.111! USER MOD Set 1.2: A 23 ASN :FLIP amide:sc= 0.324 F(o=-0.8,f=0.21) USER MOD Set 2.1: A 22 ASN : amide:sc= -2.26 K(o=-2.8,f=-8.6!) USER MOD Set 2.2: A 25 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.112 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0521 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 17 LYS NZ :NH3+ 155:sc= -0.421 (180deg=-1.63!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 158:sc= -0.521 USER MOD Single : A 21 TYR OH : rot -70:sc= -3.01! USER MOD Single : A 28 SER OG : rot 130:sc= -0.251 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= -0.352 (180deg=-1.25!) USER MOD Single : A 34 GLN : amide:sc= -0.0269 X(o=-0.027,f=-0.38) USER MOD Single : A 37 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0441) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.985 -3.197 -16.604 1.00 0.00 N ATOM 2 CA GLY A 1 -4.197 -3.995 -15.363 1.00 0.00 C ATOM 3 C GLY A 1 -5.614 -3.805 -14.839 1.00 0.00 C ATOM 4 O GLY A 1 -6.433 -3.130 -15.464 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.622 -3.816 -17.357 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.888 -2.778 -16.906 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.297 -2.440 -16.416 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.018 -5.050 -15.568 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.478 -3.691 -14.602 1.00 0.00 H new ATOM 10 N ALA A 2 -5.900 -4.406 -13.688 1.00 0.00 N ATOM 11 CA ALA A 2 -7.221 -4.305 -13.076 1.00 0.00 C ATOM 12 C ALA A 2 -7.095 -4.156 -11.565 1.00 0.00 C ATOM 13 O ALA A 2 -6.005 -3.920 -11.044 1.00 0.00 O ATOM 14 CB ALA A 2 -8.043 -5.548 -13.407 1.00 0.00 C ATOM 0 H ALA A 2 -5.234 -4.969 -13.159 1.00 0.00 H new ATOM 0 HA ALA A 2 -7.725 -3.424 -13.475 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.028 -5.466 -12.947 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -8.153 -5.634 -14.488 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.536 -6.433 -13.023 1.00 0.00 H new ATOM 20 N THR A 3 -8.216 -4.297 -10.865 1.00 0.00 N ATOM 21 CA THR A 3 -8.233 -4.178 -9.410 1.00 0.00 C ATOM 22 C THR A 3 -9.489 -4.825 -8.838 1.00 0.00 C ATOM 23 O THR A 3 -10.408 -4.139 -8.394 1.00 0.00 O ATOM 24 CB THR A 3 -8.168 -2.706 -9.003 1.00 0.00 C ATOM 25 OG1 THR A 3 -8.291 -1.877 -10.148 1.00 0.00 O ATOM 26 CG2 THR A 3 -6.861 -2.402 -8.275 1.00 0.00 C ATOM 0 H THR A 3 -9.126 -4.494 -11.282 1.00 0.00 H new ATOM 0 HA THR A 3 -7.362 -4.695 -9.008 1.00 0.00 H new ATOM 0 HB THR A 3 -8.996 -2.501 -8.324 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.250 -0.936 -9.877 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.837 -1.349 -7.995 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.792 -3.018 -7.378 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.019 -2.622 -8.931 1.00 0.00 H new ATOM 34 N ALA A 4 -9.518 -6.153 -8.846 1.00 0.00 N ATOM 35 CA ALA A 4 -10.659 -6.897 -8.322 1.00 0.00 C ATOM 36 C ALA A 4 -10.289 -7.550 -7.000 1.00 0.00 C ATOM 37 O ALA A 4 -10.519 -8.742 -6.793 1.00 0.00 O ATOM 38 CB ALA A 4 -11.105 -7.955 -9.326 1.00 0.00 C ATOM 0 H ALA A 4 -8.765 -6.737 -9.209 1.00 0.00 H new ATOM 0 HA ALA A 4 -11.485 -6.206 -8.156 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -11.957 -8.503 -8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.393 -7.472 -10.260 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -10.284 -8.647 -9.514 1.00 0.00 H new ATOM 44 N VAL A 5 -9.709 -6.755 -6.110 1.00 0.00 N ATOM 45 CA VAL A 5 -9.295 -7.234 -4.799 1.00 0.00 C ATOM 46 C VAL A 5 -8.218 -8.298 -4.939 1.00 0.00 C ATOM 47 O VAL A 5 -8.498 -9.495 -4.885 1.00 0.00 O ATOM 48 CB VAL A 5 -10.495 -7.798 -4.042 1.00 0.00 C ATOM 49 CG1 VAL A 5 -10.066 -8.316 -2.671 1.00 0.00 C ATOM 50 CG2 VAL A 5 -11.584 -6.739 -3.896 1.00 0.00 C ATOM 0 H VAL A 5 -9.514 -5.768 -6.275 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.885 -6.395 -4.236 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.902 -8.631 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.933 -8.714 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.324 -9.104 -2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.634 -7.499 -2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.431 -7.160 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.189 -5.885 -3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.911 -6.415 -4.884 1.00 0.00 H new ATOM 60 N SER A 6 -6.982 -7.843 -5.116 1.00 0.00 N ATOM 61 CA SER A 6 -5.834 -8.740 -5.266 1.00 0.00 C ATOM 62 C SER A 6 -4.620 -7.961 -5.753 1.00 0.00 C ATOM 63 O SER A 6 -4.612 -6.731 -5.735 1.00 0.00 O ATOM 64 CB SER A 6 -6.159 -9.859 -6.253 1.00 0.00 C ATOM 65 OG SER A 6 -6.028 -11.128 -5.629 1.00 0.00 O ATOM 0 H SER A 6 -6.745 -6.852 -5.160 1.00 0.00 H new ATOM 0 HA SER A 6 -5.610 -9.180 -4.294 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.174 -9.736 -6.630 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.491 -9.799 -7.112 1.00 0.00 H new ATOM 0 HG SER A 6 -6.241 -11.834 -6.275 1.00 0.00 H new ATOM 71 N GLU A 7 -3.595 -8.684 -6.193 1.00 0.00 N ATOM 72 CA GLU A 7 -2.374 -8.065 -6.689 1.00 0.00 C ATOM 73 C GLU A 7 -1.648 -7.318 -5.573 1.00 0.00 C ATOM 74 O GLU A 7 -0.808 -6.458 -5.838 1.00 0.00 O ATOM 75 CB GLU A 7 -2.704 -7.104 -7.825 1.00 0.00 C ATOM 76 CG GLU A 7 -2.410 -7.733 -9.184 1.00 0.00 C ATOM 77 CD GLU A 7 -2.827 -6.787 -10.303 1.00 0.00 C ATOM 78 OE1 GLU A 7 -3.733 -5.959 -10.075 1.00 0.00 O ATOM 79 OE2 GLU A 7 -2.246 -6.877 -11.405 1.00 0.00 O ATOM 0 H GLU A 7 -3.588 -9.704 -6.215 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.717 -8.852 -7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.755 -6.822 -7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.122 -6.189 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.347 -7.959 -9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.945 -8.678 -9.279 1.00 0.00 H new ATOM 86 N TRP A 8 -1.974 -7.647 -4.329 1.00 0.00 N ATOM 87 CA TRP A 8 -1.354 -7.003 -3.176 1.00 0.00 C ATOM 88 C TRP A 8 -0.962 -8.040 -2.129 1.00 0.00 C ATOM 89 O TRP A 8 -1.718 -8.970 -1.850 1.00 0.00 O ATOM 90 CB TRP A 8 -2.329 -6.005 -2.565 1.00 0.00 C ATOM 91 CG TRP A 8 -2.417 -4.728 -3.341 1.00 0.00 C ATOM 92 CD1 TRP A 8 -3.393 -4.371 -4.230 1.00 0.00 C ATOM 93 CD2 TRP A 8 -1.487 -3.629 -3.298 1.00 0.00 C ATOM 94 NE1 TRP A 8 -3.109 -3.126 -4.718 1.00 0.00 N ATOM 95 CE2 TRP A 8 -1.958 -2.644 -4.173 1.00 0.00 C ATOM 96 CE3 TRP A 8 -0.305 -3.387 -2.601 1.00 0.00 C ATOM 97 CZ2 TRP A 8 -1.286 -1.447 -4.365 1.00 0.00 C ATOM 98 CZ3 TRP A 8 0.373 -2.194 -2.786 1.00 0.00 C ATOM 99 CH2 TRP A 8 -0.112 -1.230 -3.661 1.00 0.00 C ATOM 0 H TRP A 8 -2.666 -8.358 -4.092 1.00 0.00 H new ATOM 0 HA TRP A 8 -0.455 -6.484 -3.507 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.318 -6.459 -2.509 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.021 -5.783 -1.543 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.247 -4.973 -4.502 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -3.682 -2.626 -5.398 1.00 0.00 H new ATOM 0 HE3 TRP A 8 0.082 -4.129 -1.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.668 -0.701 -5.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.289 -2.011 -2.244 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.430 -0.305 -3.794 1.00 0.00 H new ATOM 110 N THR A 9 0.220 -7.869 -1.545 1.00 0.00 N ATOM 111 CA THR A 9 0.712 -8.783 -0.519 1.00 0.00 C ATOM 112 C THR A 9 0.889 -8.035 0.795 1.00 0.00 C ATOM 113 O THR A 9 1.370 -6.905 0.808 1.00 0.00 O ATOM 114 CB THR A 9 2.040 -9.392 -0.954 1.00 0.00 C ATOM 115 OG1 THR A 9 2.156 -9.340 -2.366 1.00 0.00 O ATOM 116 CG2 THR A 9 2.157 -10.836 -0.473 1.00 0.00 C ATOM 0 H THR A 9 0.857 -7.103 -1.766 1.00 0.00 H new ATOM 0 HA THR A 9 -0.014 -9.584 -0.379 1.00 0.00 H new ATOM 0 HB THR A 9 2.848 -8.814 -0.506 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.360 -8.423 -2.644 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.112 -11.250 -0.795 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.098 -10.863 0.615 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.344 -11.427 -0.895 1.00 0.00 H new ATOM 124 N GLU A 10 0.489 -8.666 1.893 1.00 0.00 N ATOM 125 CA GLU A 10 0.591 -8.048 3.213 1.00 0.00 C ATOM 126 C GLU A 10 1.914 -8.392 3.881 1.00 0.00 C ATOM 127 O GLU A 10 2.404 -9.518 3.783 1.00 0.00 O ATOM 128 CB GLU A 10 -0.569 -8.510 4.092 1.00 0.00 C ATOM 129 CG GLU A 10 -1.885 -8.508 3.319 1.00 0.00 C ATOM 130 CD GLU A 10 -3.046 -8.819 4.255 1.00 0.00 C ATOM 131 OE1 GLU A 10 -3.050 -8.301 5.392 1.00 0.00 O ATOM 132 OE2 GLU A 10 -3.949 -9.582 3.850 1.00 0.00 O ATOM 0 H GLU A 10 0.091 -9.605 1.897 1.00 0.00 H new ATOM 0 HA GLU A 10 0.545 -6.966 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.367 -9.513 4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.653 -7.856 4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.038 -7.536 2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.846 -9.247 2.518 1.00 0.00 H new ATOM 139 N TYR A 11 2.483 -7.405 4.565 1.00 0.00 N ATOM 140 CA TYR A 11 3.751 -7.575 5.263 1.00 0.00 C ATOM 141 C TYR A 11 3.700 -6.874 6.616 1.00 0.00 C ATOM 142 O TYR A 11 3.066 -5.829 6.759 1.00 0.00 O ATOM 143 CB TYR A 11 4.877 -6.996 4.417 1.00 0.00 C ATOM 144 CG TYR A 11 5.360 -7.949 3.355 1.00 0.00 C ATOM 145 CD1 TYR A 11 6.178 -9.013 3.693 1.00 0.00 C ATOM 146 CD2 TYR A 11 4.981 -7.762 2.037 1.00 0.00 C ATOM 147 CE1 TYR A 11 6.617 -9.888 2.714 1.00 0.00 C ATOM 148 CE2 TYR A 11 5.421 -8.637 1.059 1.00 0.00 C ATOM 149 CZ TYR A 11 6.236 -9.696 1.402 1.00 0.00 C ATOM 150 OH TYR A 11 6.672 -10.566 0.429 1.00 0.00 O ATOM 0 H TYR A 11 2.081 -6.471 4.651 1.00 0.00 H new ATOM 0 HA TYR A 11 3.933 -8.637 5.426 1.00 0.00 H new ATOM 0 HB2 TYR A 11 4.533 -6.076 3.944 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.711 -6.729 5.065 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.474 -9.161 4.721 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.342 -6.933 1.772 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.256 -10.718 2.977 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.127 -8.491 0.030 1.00 0.00 H new ATOM 0 HH TYR A 11 6.313 -10.291 -0.440 1.00 0.00 H new ATOM 160 N LYS A 12 4.370 -7.454 7.608 1.00 0.00 N ATOM 161 CA LYS A 12 4.397 -6.883 8.951 1.00 0.00 C ATOM 162 C LYS A 12 5.802 -6.394 9.287 1.00 0.00 C ATOM 163 O LYS A 12 6.784 -7.104 9.072 1.00 0.00 O ATOM 164 CB LYS A 12 3.952 -7.939 9.967 1.00 0.00 C ATOM 165 CG LYS A 12 4.028 -7.401 11.393 1.00 0.00 C ATOM 166 CD LYS A 12 5.326 -7.825 12.075 1.00 0.00 C ATOM 167 CE LYS A 12 5.050 -8.739 13.265 1.00 0.00 C ATOM 168 NZ LYS A 12 5.464 -10.142 12.980 1.00 0.00 N ATOM 0 H LYS A 12 4.901 -8.319 7.507 1.00 0.00 H new ATOM 0 HA LYS A 12 3.714 -6.035 8.992 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.931 -8.251 9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.582 -8.824 9.875 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.961 -6.313 11.378 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.176 -7.765 11.968 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.965 -8.340 11.358 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.870 -6.942 12.410 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.585 -8.371 14.140 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.987 -8.713 13.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.263 -10.738 13.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.935 -10.500 12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.483 -10.168 12.773 1.00 0.00 H new ATOM 182 N THR A 13 5.892 -5.173 9.812 1.00 0.00 N ATOM 183 CA THR A 13 7.178 -4.587 10.172 1.00 0.00 C ATOM 184 C THR A 13 7.430 -4.720 11.665 1.00 0.00 C ATOM 185 O THR A 13 6.496 -4.858 12.455 1.00 0.00 O ATOM 186 CB THR A 13 7.209 -3.113 9.783 1.00 0.00 C ATOM 187 OG1 THR A 13 5.919 -2.541 9.942 1.00 0.00 O ATOM 188 CG2 THR A 13 7.684 -2.943 8.345 1.00 0.00 C ATOM 0 H THR A 13 5.089 -4.572 9.997 1.00 0.00 H new ATOM 0 HA THR A 13 7.959 -5.123 9.633 1.00 0.00 H new ATOM 0 HB THR A 13 7.911 -2.598 10.439 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.948 -1.594 9.692 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.698 -1.884 8.089 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.688 -3.354 8.242 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.006 -3.469 7.673 1.00 0.00 H new ATOM 196 N ALA A 14 8.699 -4.662 12.047 1.00 0.00 N ATOM 197 CA ALA A 14 9.084 -4.760 13.448 1.00 0.00 C ATOM 198 C ALA A 14 8.364 -3.692 14.257 1.00 0.00 C ATOM 199 O ALA A 14 8.098 -3.869 15.446 1.00 0.00 O ATOM 200 CB ALA A 14 10.593 -4.584 13.579 1.00 0.00 C ATOM 0 H ALA A 14 9.482 -4.547 11.403 1.00 0.00 H new ATOM 0 HA ALA A 14 8.805 -5.742 13.830 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.878 -4.658 14.628 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.101 -5.362 13.009 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.880 -3.606 13.193 1.00 0.00 H new ATOM 206 N ASP A 15 8.051 -2.577 13.602 1.00 0.00 N ATOM 207 CA ASP A 15 7.360 -1.470 14.250 1.00 0.00 C ATOM 208 C ASP A 15 5.983 -1.910 14.734 1.00 0.00 C ATOM 209 O ASP A 15 5.435 -1.337 15.675 1.00 0.00 O ATOM 210 CB ASP A 15 7.222 -0.304 13.273 1.00 0.00 C ATOM 211 CG ASP A 15 8.584 0.322 13.007 1.00 0.00 C ATOM 212 OD1 ASP A 15 9.333 -0.217 12.165 1.00 0.00 O ATOM 213 OD2 ASP A 15 8.899 1.353 13.639 1.00 0.00 O ATOM 0 H ASP A 15 8.267 -2.418 12.618 1.00 0.00 H new ATOM 0 HA ASP A 15 7.944 -1.149 15.113 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.785 -0.653 12.338 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.543 0.444 13.682 1.00 0.00 H new ATOM 218 N GLY A 16 5.427 -2.933 14.089 1.00 0.00 N ATOM 219 CA GLY A 16 4.112 -3.445 14.461 1.00 0.00 C ATOM 220 C GLY A 16 3.038 -2.905 13.526 1.00 0.00 C ATOM 221 O GLY A 16 1.888 -2.721 13.926 1.00 0.00 O ATOM 0 H GLY A 16 5.866 -3.422 13.309 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.117 -4.534 14.425 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.883 -3.161 15.488 1.00 0.00 H new ATOM 225 N LYS A 17 3.419 -2.656 12.278 1.00 0.00 N ATOM 226 CA LYS A 17 2.488 -2.138 11.282 1.00 0.00 C ATOM 227 C LYS A 17 2.384 -3.094 10.103 1.00 0.00 C ATOM 228 O LYS A 17 3.383 -3.661 9.660 1.00 0.00 O ATOM 229 CB LYS A 17 2.941 -0.766 10.793 1.00 0.00 C ATOM 230 CG LYS A 17 1.997 0.324 11.286 1.00 0.00 C ATOM 231 CD LYS A 17 1.178 0.910 10.138 1.00 0.00 C ATOM 232 CE LYS A 17 -0.109 0.120 9.912 1.00 0.00 C ATOM 233 NZ LYS A 17 -0.842 -0.093 11.192 1.00 0.00 N ATOM 0 H LYS A 17 4.367 -2.805 11.932 1.00 0.00 H new ATOM 0 HA LYS A 17 1.508 -2.043 11.749 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.952 -0.565 11.147 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.977 -0.757 9.704 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.327 -0.087 12.041 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.572 1.116 11.767 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.935 1.950 10.356 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.774 0.907 9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.748 0.654 9.208 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.127 -0.843 9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.853 -0.232 10.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.464 -0.934 11.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.721 0.739 11.804 1.00 0.00 H new ATOM 247 N THR A 18 1.170 -3.262 9.594 1.00 0.00 N ATOM 248 CA THR A 18 0.932 -4.142 8.459 1.00 0.00 C ATOM 249 C THR A 18 0.759 -3.322 7.189 1.00 0.00 C ATOM 250 O THR A 18 -0.241 -2.625 7.019 1.00 0.00 O ATOM 251 CB THR A 18 -0.314 -4.989 8.706 1.00 0.00 C ATOM 252 OG1 THR A 18 -0.248 -5.587 9.991 1.00 0.00 O ATOM 253 CG2 THR A 18 -0.458 -6.066 7.635 1.00 0.00 C ATOM 0 H THR A 18 0.334 -2.799 9.951 1.00 0.00 H new ATOM 0 HA THR A 18 1.791 -4.802 8.339 1.00 0.00 H new ATOM 0 HB THR A 18 -1.187 -4.338 8.658 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.052 -6.127 10.142 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.352 -6.657 7.831 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.542 -5.596 6.655 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.417 -6.716 7.652 1.00 0.00 H new ATOM 261 N TYR A 19 1.735 -3.415 6.293 1.00 0.00 N ATOM 262 CA TYR A 19 1.682 -2.688 5.030 1.00 0.00 C ATOM 263 C TYR A 19 1.427 -3.658 3.892 1.00 0.00 C ATOM 264 O TYR A 19 1.237 -4.852 4.122 1.00 0.00 O ATOM 265 CB TYR A 19 2.972 -1.900 4.790 1.00 0.00 C ATOM 266 CG TYR A 19 4.224 -2.739 4.821 1.00 0.00 C ATOM 267 CD1 TYR A 19 4.708 -3.221 6.023 1.00 0.00 C ATOM 268 CD2 TYR A 19 4.898 -3.016 3.646 1.00 0.00 C ATOM 269 CE1 TYR A 19 5.863 -3.982 6.051 1.00 0.00 C ATOM 270 CE2 TYR A 19 6.054 -3.777 3.673 1.00 0.00 C ATOM 271 CZ TYR A 19 6.532 -4.257 4.875 1.00 0.00 C ATOM 272 OH TYR A 19 7.682 -5.013 4.902 1.00 0.00 O ATOM 0 H TYR A 19 2.571 -3.986 6.417 1.00 0.00 H new ATOM 0 HA TYR A 19 0.863 -1.970 5.077 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.906 -1.402 3.823 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.053 -1.119 5.546 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.184 -3.003 6.942 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.522 -2.638 2.706 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.240 -4.360 6.990 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.580 -3.994 2.755 1.00 0.00 H new ATOM 0 HH TYR A 19 8.028 -5.115 3.991 1.00 0.00 H new ATOM 282 N TYR A 20 1.397 -3.154 2.665 1.00 0.00 N ATOM 283 CA TYR A 20 1.132 -4.015 1.520 1.00 0.00 C ATOM 284 C TYR A 20 2.150 -3.800 0.405 1.00 0.00 C ATOM 285 O TYR A 20 2.777 -2.745 0.318 1.00 0.00 O ATOM 286 CB TYR A 20 -0.278 -3.756 1.011 1.00 0.00 C ATOM 287 CG TYR A 20 -1.291 -3.767 2.122 1.00 0.00 C ATOM 288 CD1 TYR A 20 -1.613 -4.957 2.747 1.00 0.00 C ATOM 289 CD2 TYR A 20 -1.891 -2.590 2.528 1.00 0.00 C ATOM 290 CE1 TYR A 20 -2.538 -4.971 3.777 1.00 0.00 C ATOM 291 CE2 TYR A 20 -2.817 -2.604 3.557 1.00 0.00 C ATOM 292 CZ TYR A 20 -3.136 -3.794 4.177 1.00 0.00 C ATOM 293 OH TYR A 20 -4.056 -3.807 5.201 1.00 0.00 O ATOM 0 H TYR A 20 1.550 -2.171 2.439 1.00 0.00 H new ATOM 0 HA TYR A 20 1.221 -5.053 1.842 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.308 -2.792 0.503 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -0.542 -4.514 0.273 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.143 -5.877 2.432 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.637 -1.659 2.042 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.791 -5.900 4.266 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.288 -1.685 3.873 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.119 -2.912 5.595 1.00 0.00 H new ATOM 303 N TYR A 21 2.306 -4.812 -0.451 1.00 0.00 N ATOM 304 CA TYR A 21 3.245 -4.737 -1.564 1.00 0.00 C ATOM 305 C TYR A 21 2.616 -5.313 -2.824 1.00 0.00 C ATOM 306 O TYR A 21 2.417 -6.522 -2.931 1.00 0.00 O ATOM 307 CB TYR A 21 4.533 -5.506 -1.223 1.00 0.00 C ATOM 308 CG TYR A 21 5.409 -5.808 -2.428 1.00 0.00 C ATOM 309 CD1 TYR A 21 5.140 -6.913 -3.225 1.00 0.00 C ATOM 310 CD2 TYR A 21 6.477 -4.983 -2.742 1.00 0.00 C ATOM 311 CE1 TYR A 21 5.935 -7.189 -4.325 1.00 0.00 C ATOM 312 CE2 TYR A 21 7.272 -5.263 -3.843 1.00 0.00 C ATOM 313 CZ TYR A 21 6.997 -6.364 -4.628 1.00 0.00 C ATOM 314 OH TYR A 21 7.786 -6.639 -5.721 1.00 0.00 O ATOM 0 H TYR A 21 1.793 -5.691 -0.392 1.00 0.00 H new ATOM 0 HA TYR A 21 3.493 -3.690 -1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 21 5.110 -4.926 -0.503 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.266 -6.444 -0.736 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.308 -7.559 -2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.691 -4.120 -2.128 1.00 0.00 H new ATOM 0 HE1 TYR A 21 5.723 -8.048 -4.944 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.105 -4.620 -4.086 1.00 0.00 H new ATOM 0 HH TYR A 21 8.317 -7.444 -5.547 1.00 0.00 H new ATOM 324 N ASN A 22 2.339 -4.452 -3.794 1.00 0.00 N ATOM 325 CA ASN A 22 1.782 -4.911 -5.053 1.00 0.00 C ATOM 326 C ASN A 22 2.889 -5.612 -5.814 1.00 0.00 C ATOM 327 O ASN A 22 3.944 -5.028 -6.048 1.00 0.00 O ATOM 328 CB ASN A 22 1.237 -3.739 -5.865 1.00 0.00 C ATOM 329 CG ASN A 22 0.460 -4.257 -7.067 1.00 0.00 C ATOM 330 OD1 ASN A 22 1.039 -4.819 -7.996 1.00 0.00 O ATOM 331 ND2 ASN A 22 -0.854 -4.070 -7.050 1.00 0.00 N ATOM 0 H ASN A 22 2.489 -3.445 -3.733 1.00 0.00 H new ATOM 0 HA ASN A 22 0.951 -5.593 -4.870 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.590 -3.123 -5.241 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.058 -3.103 -6.198 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.426 -4.398 -7.828 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.292 -3.599 -6.258 1.00 0.00 H new ATOM 338 N ASN A 23 2.664 -6.872 -6.162 1.00 0.00 N ATOM 339 CA ASN A 23 3.669 -7.665 -6.864 1.00 0.00 C ATOM 340 C ASN A 23 3.709 -7.304 -8.337 1.00 0.00 C ATOM 341 O ASN A 23 4.737 -6.870 -8.855 1.00 0.00 O ATOM 342 CB ASN A 23 3.383 -9.162 -6.734 1.00 0.00 C ATOM 343 CG ASN A 23 2.696 -9.489 -5.417 1.00 0.00 C ATOM 344 OD1 ASN A 23 1.371 -9.415 -5.417 1.00 0.00 O flip ATOM 345 ND2 ASN A 23 3.348 -9.805 -4.422 1.00 0.00 N flip ATOM 0 H ASN A 23 1.794 -7.369 -5.970 1.00 0.00 H new ATOM 0 HA ASN A 23 4.632 -7.441 -6.405 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.754 -9.486 -7.563 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.317 -9.719 -6.806 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.366 -9.848 -4.472 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.870 -10.024 -3.548 1.00 0.00 H new ATOM 352 N ARG A 24 2.581 -7.502 -9.011 1.00 0.00 N ATOM 353 CA ARG A 24 2.470 -7.218 -10.440 1.00 0.00 C ATOM 354 C ARG A 24 3.171 -5.909 -10.797 1.00 0.00 C ATOM 355 O ARG A 24 3.676 -5.746 -11.907 1.00 0.00 O ATOM 356 CB ARG A 24 1.000 -7.142 -10.842 1.00 0.00 C ATOM 357 CG ARG A 24 0.544 -8.428 -11.526 1.00 0.00 C ATOM 358 CD ARG A 24 0.102 -9.475 -10.506 1.00 0.00 C ATOM 359 NE ARG A 24 0.836 -10.720 -10.707 1.00 0.00 N ATOM 360 CZ ARG A 24 0.333 -11.894 -10.338 1.00 0.00 C ATOM 361 NH1 ARG A 24 -0.097 -12.074 -9.097 1.00 0.00 N ATOM 362 NH2 ARG A 24 0.258 -12.890 -11.211 1.00 0.00 N ATOM 0 H ARG A 24 1.725 -7.860 -8.588 1.00 0.00 H new ATOM 0 HA ARG A 24 2.956 -8.027 -10.986 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.388 -6.961 -9.958 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.848 -6.297 -11.513 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.280 -8.208 -12.205 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.357 -8.828 -12.131 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.273 -9.103 -9.496 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.968 -9.657 -10.602 1.00 0.00 H new ATOM 0 HE ARG A 24 1.758 -10.689 -11.142 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.042 -11.311 -8.423 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.482 -12.976 -8.817 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.587 -12.756 -12.167 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.128 -13.790 -10.926 1.00 0.00 H new ATOM 376 N THR A 25 3.189 -4.979 -9.849 1.00 0.00 N ATOM 377 CA THR A 25 3.814 -3.682 -10.055 1.00 0.00 C ATOM 378 C THR A 25 5.042 -3.515 -9.168 1.00 0.00 C ATOM 379 O THR A 25 5.896 -2.669 -9.431 1.00 0.00 O ATOM 380 CB THR A 25 2.804 -2.585 -9.746 1.00 0.00 C ATOM 381 OG1 THR A 25 2.668 -2.436 -8.342 1.00 0.00 O ATOM 382 CG2 THR A 25 1.446 -2.901 -10.374 1.00 0.00 C ATOM 0 H THR A 25 2.775 -5.103 -8.925 1.00 0.00 H new ATOM 0 HA THR A 25 4.136 -3.613 -11.094 1.00 0.00 H new ATOM 0 HB THR A 25 3.168 -1.651 -10.174 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.018 -1.728 -8.150 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.742 -2.103 -10.139 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.555 -2.982 -11.455 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.072 -3.844 -9.976 1.00 0.00 H new ATOM 390 N LEU A 26 5.117 -4.313 -8.114 1.00 0.00 N ATOM 391 CA LEU A 26 6.230 -4.247 -7.176 1.00 0.00 C ATOM 392 C LEU A 26 6.229 -2.903 -6.474 1.00 0.00 C ATOM 393 O LEU A 26 7.278 -2.303 -6.242 1.00 0.00 O ATOM 394 CB LEU A 26 7.549 -4.469 -7.907 1.00 0.00 C ATOM 395 CG LEU A 26 7.586 -5.858 -8.527 1.00 0.00 C ATOM 396 CD1 LEU A 26 7.265 -5.788 -10.012 1.00 0.00 C ATOM 397 CD2 LEU A 26 8.944 -6.516 -8.298 1.00 0.00 C ATOM 0 H LEU A 26 4.417 -5.018 -7.885 1.00 0.00 H new ATOM 0 HA LEU A 26 6.116 -5.033 -6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.673 -3.714 -8.683 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.381 -4.352 -7.213 1.00 0.00 H new ATOM 0 HG LEU A 26 6.827 -6.471 -8.041 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.296 -6.791 -10.439 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.270 -5.366 -10.150 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.999 -5.157 -10.514 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.948 -7.508 -8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.725 -5.907 -8.753 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.130 -6.604 -7.228 1.00 0.00 H new ATOM 409 N GLU A 27 5.031 -2.437 -6.141 1.00 0.00 N ATOM 410 CA GLU A 27 4.868 -1.154 -5.464 1.00 0.00 C ATOM 411 C GLU A 27 4.358 -1.358 -4.042 1.00 0.00 C ATOM 412 O GLU A 27 3.292 -1.935 -3.831 1.00 0.00 O ATOM 413 CB GLU A 27 3.893 -0.277 -6.243 1.00 0.00 C ATOM 414 CG GLU A 27 3.750 1.100 -5.599 1.00 0.00 C ATOM 415 CD GLU A 27 2.742 1.940 -6.371 1.00 0.00 C ATOM 416 OE1 GLU A 27 3.071 2.386 -7.490 1.00 0.00 O ATOM 417 OE2 GLU A 27 1.623 2.149 -5.857 1.00 0.00 O ATOM 0 H GLU A 27 4.157 -2.928 -6.329 1.00 0.00 H new ATOM 0 HA GLU A 27 5.839 -0.661 -5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.241 -0.166 -7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.918 -0.763 -6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.428 0.993 -4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.717 1.604 -5.582 1.00 0.00 H new ATOM 424 N SER A 28 5.124 -0.872 -3.069 1.00 0.00 N ATOM 425 CA SER A 28 4.745 -0.992 -1.661 1.00 0.00 C ATOM 426 C SER A 28 3.983 0.249 -1.221 1.00 0.00 C ATOM 427 O SER A 28 4.142 1.323 -1.802 1.00 0.00 O ATOM 428 CB SER A 28 5.993 -1.171 -0.801 1.00 0.00 C ATOM 429 OG SER A 28 6.271 -2.549 -0.610 1.00 0.00 O ATOM 0 H SER A 28 6.010 -0.392 -3.228 1.00 0.00 H new ATOM 0 HA SER A 28 4.102 -1.864 -1.539 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.844 -0.685 -1.279 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.849 -0.686 0.164 1.00 0.00 H new ATOM 0 HG SER A 28 7.211 -2.726 -0.823 1.00 0.00 H new ATOM 435 N THR A 29 3.150 0.103 -0.194 1.00 0.00 N ATOM 436 CA THR A 29 2.367 1.227 0.307 1.00 0.00 C ATOM 437 C THR A 29 1.920 0.988 1.744 1.00 0.00 C ATOM 438 O THR A 29 1.785 -0.157 2.190 1.00 0.00 O ATOM 439 CB THR A 29 1.148 1.452 -0.583 1.00 0.00 C ATOM 440 OG1 THR A 29 0.481 2.645 -0.201 1.00 0.00 O ATOM 441 CG2 THR A 29 0.189 0.269 -0.500 1.00 0.00 C ATOM 0 H THR A 29 3.001 -0.775 0.303 1.00 0.00 H new ATOM 0 HA THR A 29 2.999 2.115 0.288 1.00 0.00 H new ATOM 0 HB THR A 29 1.489 1.546 -1.614 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.299 2.783 -0.778 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.672 0.453 -1.143 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.699 -0.637 -0.827 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.147 0.144 0.529 1.00 0.00 H new ATOM 449 N TRP A 30 1.692 2.085 2.460 1.00 0.00 N ATOM 450 CA TRP A 30 1.258 2.039 3.849 1.00 0.00 C ATOM 451 C TRP A 30 -0.252 2.194 3.931 1.00 0.00 C ATOM 452 O TRP A 30 -0.897 1.670 4.840 1.00 0.00 O ATOM 453 CB TRP A 30 1.929 3.169 4.612 1.00 0.00 C ATOM 454 CG TRP A 30 3.385 2.915 4.837 1.00 0.00 C ATOM 455 CD1 TRP A 30 4.436 3.551 4.234 1.00 0.00 C ATOM 456 CD2 TRP A 30 3.955 1.936 5.724 1.00 0.00 C ATOM 457 NE1 TRP A 30 5.601 3.014 4.707 1.00 0.00 N ATOM 458 CE2 TRP A 30 5.347 2.030 5.614 1.00 0.00 C ATOM 459 CE3 TRP A 30 3.419 0.994 6.598 1.00 0.00 C ATOM 460 CZ2 TRP A 30 6.197 1.217 6.344 1.00 0.00 C ATOM 461 CZ3 TRP A 30 4.262 0.175 7.331 1.00 0.00 C ATOM 462 CH2 TRP A 30 5.639 0.285 7.207 1.00 0.00 C ATOM 0 H TRP A 30 1.803 3.030 2.092 1.00 0.00 H new ATOM 0 HA TRP A 30 1.536 1.079 4.285 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.806 4.101 4.060 1.00 0.00 H new ATOM 0 HB3 TRP A 30 1.432 3.300 5.573 1.00 0.00 H new ATOM 0 HD1 TRP A 30 4.358 4.345 3.506 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.534 3.310 4.420 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.348 0.902 6.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 7.269 1.306 6.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.843 -0.557 8.006 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.282 -0.360 7.787 1.00 0.00 H new ATOM 473 N GLU A 31 -0.805 2.933 2.978 1.00 0.00 N ATOM 474 CA GLU A 31 -2.240 3.186 2.931 1.00 0.00 C ATOM 475 C GLU A 31 -2.949 2.120 2.100 1.00 0.00 C ATOM 476 O GLU A 31 -2.805 2.068 0.878 1.00 0.00 O ATOM 477 CB GLU A 31 -2.493 4.581 2.334 1.00 0.00 C ATOM 478 CG GLU A 31 -3.978 4.832 2.074 1.00 0.00 C ATOM 479 CD GLU A 31 -4.185 6.241 1.534 1.00 0.00 C ATOM 480 OE1 GLU A 31 -3.670 7.197 2.152 1.00 0.00 O ATOM 481 OE2 GLU A 31 -4.863 6.387 0.494 1.00 0.00 O ATOM 0 H GLU A 31 -0.278 3.370 2.222 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.640 3.147 3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.111 5.341 3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.939 4.682 1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.359 4.101 1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.544 4.701 2.996 1.00 0.00 H new ATOM 488 N LYS A 32 -3.732 1.284 2.776 1.00 0.00 N ATOM 489 CA LYS A 32 -4.495 0.223 2.112 1.00 0.00 C ATOM 490 C LYS A 32 -5.300 0.821 0.956 1.00 0.00 C ATOM 491 O LYS A 32 -5.918 1.874 1.107 1.00 0.00 O ATOM 492 CB LYS A 32 -5.425 -0.430 3.135 1.00 0.00 C ATOM 493 CG LYS A 32 -5.976 -1.765 2.638 1.00 0.00 C ATOM 494 CD LYS A 32 -7.326 -2.066 3.279 1.00 0.00 C ATOM 495 CE LYS A 32 -7.165 -2.465 4.743 1.00 0.00 C ATOM 496 NZ LYS A 32 -7.422 -1.310 5.648 1.00 0.00 N ATOM 0 H LYS A 32 -3.857 1.319 3.788 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.821 -0.533 1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.884 -0.586 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.253 0.244 3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.081 -1.739 1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.272 -2.564 2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.969 -1.189 3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.820 -2.869 2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.854 -3.276 4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.157 -2.844 4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.772 -1.658 6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.539 -0.780 5.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.135 -0.685 5.220 1.00 0.00 H new ATOM 510 N PRO A 33 -5.288 0.169 -0.224 1.00 0.00 N ATOM 511 CA PRO A 33 -6.004 0.661 -1.409 1.00 0.00 C ATOM 512 C PRO A 33 -7.475 0.258 -1.434 1.00 0.00 C ATOM 513 O PRO A 33 -7.955 -0.297 -2.423 1.00 0.00 O ATOM 514 CB PRO A 33 -5.254 0.033 -2.569 1.00 0.00 C ATOM 515 CG PRO A 33 -4.590 -1.196 -2.020 1.00 0.00 C ATOM 516 CD PRO A 33 -4.587 -1.090 -0.509 1.00 0.00 C ATOM 0 HA PRO A 33 -6.023 1.750 -1.437 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.935 -0.222 -3.381 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.517 0.725 -2.977 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.123 -2.092 -2.338 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.571 -1.280 -2.398 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.095 -1.939 -0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.571 -1.076 -0.115 1.00 0.00 H new ATOM 524 N GLN A 34 -8.177 0.560 -0.343 1.00 0.00 N ATOM 525 CA GLN A 34 -9.612 0.263 -0.191 1.00 0.00 C ATOM 526 C GLN A 34 -10.030 -0.998 -0.947 1.00 0.00 C ATOM 527 O GLN A 34 -11.136 -1.069 -1.485 1.00 0.00 O ATOM 528 CB GLN A 34 -10.443 1.454 -0.676 1.00 0.00 C ATOM 529 CG GLN A 34 -10.317 1.644 -2.185 1.00 0.00 C ATOM 530 CD GLN A 34 -9.485 2.882 -2.494 1.00 0.00 C ATOM 531 OE1 GLN A 34 -8.387 2.783 -3.044 1.00 0.00 O ATOM 532 NE2 GLN A 34 -10.008 4.052 -2.143 1.00 0.00 N ATOM 0 H GLN A 34 -7.769 1.021 0.470 1.00 0.00 H new ATOM 0 HA GLN A 34 -9.795 0.084 0.869 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.490 1.300 -0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.116 2.360 -0.165 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.853 0.765 -2.632 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.307 1.742 -2.630 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.921 4.087 -1.689 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.497 4.915 -2.327 1.00 0.00 H new ATOM 541 N GLU A 35 -9.149 -1.991 -0.980 1.00 0.00 N ATOM 542 CA GLU A 35 -9.440 -3.248 -1.667 1.00 0.00 C ATOM 543 C GLU A 35 -8.629 -4.389 -1.059 1.00 0.00 C ATOM 544 O GLU A 35 -8.365 -5.394 -1.718 1.00 0.00 O ATOM 545 CB GLU A 35 -9.145 -3.104 -3.164 1.00 0.00 C ATOM 546 CG GLU A 35 -7.651 -3.238 -3.474 1.00 0.00 C ATOM 547 CD GLU A 35 -7.239 -2.236 -4.544 1.00 0.00 C ATOM 548 OE1 GLU A 35 -8.129 -1.564 -5.107 1.00 0.00 O ATOM 549 OE2 GLU A 35 -6.025 -2.122 -4.817 1.00 0.00 O ATOM 0 H GLU A 35 -8.229 -1.953 -0.541 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.497 -3.484 -1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.699 -3.863 -3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.501 -2.134 -3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.069 -3.072 -2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.433 -4.251 -3.812 1.00 0.00 H new ATOM 556 N LEU A 36 -8.226 -4.221 0.194 1.00 0.00 N ATOM 557 CA LEU A 36 -7.434 -5.230 0.880 1.00 0.00 C ATOM 558 C LEU A 36 -7.773 -5.262 2.364 1.00 0.00 C ATOM 559 O LEU A 36 -6.934 -4.950 3.209 1.00 0.00 O ATOM 560 CB LEU A 36 -5.953 -4.923 0.686 1.00 0.00 C ATOM 561 CG LEU A 36 -5.080 -6.100 1.100 1.00 0.00 C ATOM 562 CD1 LEU A 36 -5.520 -7.376 0.385 1.00 0.00 C ATOM 563 CD2 LEU A 36 -3.616 -5.801 0.805 1.00 0.00 C ATOM 0 H LEU A 36 -8.435 -3.395 0.755 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.663 -6.209 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.765 -4.679 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.683 -4.044 1.272 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.195 -6.254 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.883 -8.205 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.556 -7.598 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.435 -7.237 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.003 -6.651 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.489 -5.622 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.306 -4.916 1.360 1.00 0.00 H new ATOM 575 N LYS A 37 -9.010 -5.636 2.677 1.00 0.00 N ATOM 576 CA LYS A 37 -9.461 -5.706 4.062 1.00 0.00 C ATOM 577 C LYS A 37 -9.690 -7.154 4.473 1.00 0.00 C ATOM 578 O LYS A 37 -9.007 -8.044 3.923 1.00 0.00 O ATOM 579 CB LYS A 37 -10.752 -4.907 4.227 1.00 0.00 C ATOM 580 CG LYS A 37 -10.518 -3.421 3.975 1.00 0.00 C ATOM 581 CD LYS A 37 -10.712 -2.604 5.250 1.00 0.00 C ATOM 582 CE LYS A 37 -11.979 -1.758 5.176 1.00 0.00 C ATOM 583 NZ LYS A 37 -13.193 -2.612 5.039 1.00 0.00 N ATOM 584 OXT LYS A 37 -10.551 -7.398 5.344 1.00 0.00 O ATOM 0 H LYS A 37 -9.718 -5.895 1.990 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.690 -5.279 4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.505 -5.282 3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.145 -5.050 5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.508 -3.269 3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.205 -3.068 3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.768 -3.273 6.109 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.848 -1.957 5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.062 -1.145 6.073 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.914 -1.076 4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.044 -2.015 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.163 -3.115 4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.221 -3.303 5.816 1.00 0.00 H new TER 598 LYS A 37