USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 394 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 13 THR OG1 : rot 168:sc= -1.35! USER MOD Set 1.2: A 16 LYS NZ :NH3+ -156:sc= 1.26 (180deg=1.14) USER MOD Single : A 1 GLY N :NH3+ 152:sc= 0.0041 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 90:sc= -0.0346 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : A 9 LYS NZ :NH3+ -155:sc= -0.13 (180deg=-0.574) USER MOD Single : A 10 SER OG : rot 42:sc= 0.105 USER MOD Single : A 15 ASN : amide:sc= -0.465 K(o=-0.46,f=-5.9!) USER MOD Single : A 20 GLN : amide:sc= -2.33! K(o=-2.3!,f=-0.021) USER MOD Single : A 21 TYR OH : rot 164:sc= -0.312 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.75! C(o=-1.8!,f=-14!) USER MOD Single : A 30 SER OG : rot 77:sc= 1.25 USER MOD Single : A 32 ASN : amide:sc= 1.39 K(o=1.4,f=-8.5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -3.85! C(o=-3.9!,f=-14!) USER MOD Single : A 44 LYS NZ :NH3+ -157:sc= -2.98! (180deg=-4.23!) USER MOD Single : A 48 LYS NZ :NH3+ -156:sc= 1.26 (180deg=1.07) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 146:sc= -0.31 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.031 7.167 -13.850 1.00 0.00 N ATOM 2 CA GLY A 1 4.760 6.906 -13.138 1.00 0.00 C ATOM 3 C GLY A 1 4.362 8.071 -12.257 1.00 0.00 C ATOM 4 O GLY A 1 5.214 8.687 -11.616 1.00 0.00 O ATOM 0 H1 GLY A 1 6.512 6.265 -14.043 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.832 7.653 -14.748 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.643 7.767 -13.260 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.970 6.712 -13.863 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.862 6.008 -12.529 1.00 0.00 H new ATOM 8 N THR A 2 3.075 8.386 -12.233 1.00 0.00 N ATOM 9 CA THR A 2 2.572 9.459 -11.390 1.00 0.00 C ATOM 10 C THR A 2 2.525 9.009 -9.932 1.00 0.00 C ATOM 11 O THR A 2 3.142 9.622 -9.059 1.00 0.00 O ATOM 12 CB THR A 2 1.169 9.909 -11.845 1.00 0.00 C ATOM 13 OG1 THR A 2 1.191 10.213 -13.247 1.00 0.00 O ATOM 14 CG2 THR A 2 0.710 11.136 -11.064 1.00 0.00 C ATOM 0 H THR A 2 2.361 7.914 -12.788 1.00 0.00 H new ATOM 0 HA THR A 2 3.252 10.306 -11.482 1.00 0.00 H new ATOM 0 HB THR A 2 0.469 9.096 -11.654 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.298 10.497 -13.534 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.282 11.433 -11.404 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.673 10.898 -10.001 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.410 11.955 -11.228 1.00 0.00 H new ATOM 22 N ASN A 3 1.804 7.925 -9.680 1.00 0.00 N ATOM 23 CA ASN A 3 1.733 7.338 -8.349 1.00 0.00 C ATOM 24 C ASN A 3 2.931 6.425 -8.143 1.00 0.00 C ATOM 25 O ASN A 3 3.745 6.250 -9.053 1.00 0.00 O ATOM 26 CB ASN A 3 0.445 6.520 -8.181 1.00 0.00 C ATOM 27 CG ASN A 3 -0.813 7.323 -8.439 1.00 0.00 C ATOM 28 OD1 ASN A 3 -1.259 7.452 -9.579 1.00 0.00 O ATOM 29 ND2 ASN A 3 -1.411 7.847 -7.381 1.00 0.00 N ATOM 0 H ASN A 3 1.257 7.432 -10.385 1.00 0.00 H new ATOM 0 HA ASN A 3 1.736 8.142 -7.613 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.471 5.670 -8.863 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.409 6.116 -7.169 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.273 8.380 -7.494 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -1.010 7.718 -6.452 1.00 0.00 H new ATOM 36 N THR A 4 3.052 5.847 -6.963 1.00 0.00 N ATOM 37 CA THR A 4 4.046 4.837 -6.733 1.00 0.00 C ATOM 38 C THR A 4 3.323 3.532 -6.431 1.00 0.00 C ATOM 39 O THR A 4 2.167 3.547 -6.012 1.00 0.00 O ATOM 40 CB THR A 4 4.954 5.240 -5.551 1.00 0.00 C ATOM 41 OG1 THR A 4 5.497 6.548 -5.776 1.00 0.00 O ATOM 42 CG2 THR A 4 6.088 4.245 -5.342 1.00 0.00 C ATOM 0 H THR A 4 2.470 6.065 -6.154 1.00 0.00 H new ATOM 0 HA THR A 4 4.680 4.720 -7.612 1.00 0.00 H new ATOM 0 HB THR A 4 4.340 5.242 -4.650 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.071 6.798 -5.022 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.703 4.566 -4.501 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.673 3.259 -5.133 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.701 4.197 -6.242 1.00 0.00 H new ATOM 50 N TYR A 5 3.944 2.414 -6.705 1.00 0.00 N ATOM 51 CA TYR A 5 3.404 1.156 -6.252 1.00 0.00 C ATOM 52 C TYR A 5 4.498 0.344 -5.590 1.00 0.00 C ATOM 53 O TYR A 5 5.675 0.465 -5.938 1.00 0.00 O ATOM 54 CB TYR A 5 2.730 0.374 -7.388 1.00 0.00 C ATOM 55 CG TYR A 5 3.457 0.419 -8.713 1.00 0.00 C ATOM 56 CD1 TYR A 5 4.563 -0.387 -8.959 1.00 0.00 C ATOM 57 CD2 TYR A 5 3.020 1.261 -9.728 1.00 0.00 C ATOM 58 CE1 TYR A 5 5.211 -0.350 -10.180 1.00 0.00 C ATOM 59 CE2 TYR A 5 3.664 1.303 -10.947 1.00 0.00 C ATOM 60 CZ TYR A 5 4.757 0.498 -11.168 1.00 0.00 C ATOM 61 OH TYR A 5 5.393 0.532 -12.387 1.00 0.00 O ATOM 0 H TYR A 5 4.814 2.347 -7.233 1.00 0.00 H new ATOM 0 HA TYR A 5 2.623 1.361 -5.519 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.628 -0.667 -7.082 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.722 0.765 -7.530 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.921 -1.051 -8.186 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.161 1.894 -9.560 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.068 -0.982 -10.359 1.00 0.00 H new ATOM 0 HE2 TYR A 5 3.312 1.965 -11.724 1.00 0.00 H new ATOM 0 HH TYR A 5 4.947 1.181 -12.970 1.00 0.00 H new ATOM 71 N TYR A 6 4.107 -0.470 -4.638 1.00 0.00 N ATOM 72 CA TYR A 6 5.053 -1.173 -3.801 1.00 0.00 C ATOM 73 C TYR A 6 4.595 -2.605 -3.581 1.00 0.00 C ATOM 74 O TYR A 6 3.404 -2.868 -3.449 1.00 0.00 O ATOM 75 CB TYR A 6 5.186 -0.387 -2.484 1.00 0.00 C ATOM 76 CG TYR A 6 5.518 -1.189 -1.245 1.00 0.00 C ATOM 77 CD1 TYR A 6 6.832 -1.453 -0.886 1.00 0.00 C ATOM 78 CD2 TYR A 6 4.506 -1.642 -0.411 1.00 0.00 C ATOM 79 CE1 TYR A 6 7.126 -2.157 0.269 1.00 0.00 C ATOM 80 CE2 TYR A 6 4.788 -2.339 0.746 1.00 0.00 C ATOM 81 CZ TYR A 6 6.099 -2.595 1.082 1.00 0.00 C ATOM 82 OH TYR A 6 6.385 -3.285 2.237 1.00 0.00 O ATOM 0 H TYR A 6 3.129 -0.664 -4.422 1.00 0.00 H new ATOM 0 HA TYR A 6 6.032 -1.234 -4.276 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.959 0.370 -2.616 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.249 0.141 -2.307 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.637 -1.104 -1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.477 -1.445 -0.673 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.153 -2.363 0.533 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.986 -2.681 1.384 1.00 0.00 H new ATOM 0 HH TYR A 6 6.485 -2.653 2.979 1.00 0.00 H new ATOM 92 N THR A 7 5.533 -3.534 -3.605 1.00 0.00 N ATOM 93 CA THR A 7 5.226 -4.910 -3.270 1.00 0.00 C ATOM 94 C THR A 7 5.241 -5.088 -1.771 1.00 0.00 C ATOM 95 O THR A 7 6.239 -4.789 -1.119 1.00 0.00 O ATOM 96 CB THR A 7 6.203 -5.909 -3.915 1.00 0.00 C ATOM 97 OG1 THR A 7 7.493 -5.309 -4.096 1.00 0.00 O ATOM 98 CG2 THR A 7 5.658 -6.412 -5.237 1.00 0.00 C ATOM 0 H THR A 7 6.508 -3.361 -3.852 1.00 0.00 H new ATOM 0 HA THR A 7 4.233 -5.122 -3.667 1.00 0.00 H new ATOM 0 HB THR A 7 6.313 -6.761 -3.244 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.102 -5.959 -4.505 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.363 -7.117 -5.677 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.703 -6.910 -5.071 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.515 -5.571 -5.915 1.00 0.00 H new ATOM 106 N VAL A 8 4.132 -5.570 -1.236 1.00 0.00 N ATOM 107 CA VAL A 8 3.983 -5.734 0.198 1.00 0.00 C ATOM 108 C VAL A 8 5.098 -6.621 0.741 1.00 0.00 C ATOM 109 O VAL A 8 5.228 -7.788 0.367 1.00 0.00 O ATOM 110 CB VAL A 8 2.608 -6.337 0.553 1.00 0.00 C ATOM 111 CG1 VAL A 8 2.461 -6.483 2.060 1.00 0.00 C ATOM 112 CG2 VAL A 8 1.478 -5.480 -0.016 1.00 0.00 C ATOM 0 H VAL A 8 3.317 -5.856 -1.779 1.00 0.00 H new ATOM 0 HA VAL A 8 4.049 -4.748 0.659 1.00 0.00 H new ATOM 0 HB VAL A 8 2.544 -7.328 0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.485 -6.910 2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.243 -7.140 2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.549 -5.504 2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.518 -5.924 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.539 -4.474 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.570 -5.430 -1.101 1.00 0.00 H new ATOM 122 N LYS A 9 5.918 -6.030 1.589 1.00 0.00 N ATOM 123 CA LYS A 9 7.069 -6.695 2.176 1.00 0.00 C ATOM 124 C LYS A 9 6.751 -7.078 3.608 1.00 0.00 C ATOM 125 O LYS A 9 5.620 -6.892 4.053 1.00 0.00 O ATOM 126 CB LYS A 9 8.288 -5.774 2.142 1.00 0.00 C ATOM 127 CG LYS A 9 9.468 -6.321 1.350 1.00 0.00 C ATOM 128 CD LYS A 9 9.105 -6.584 -0.107 1.00 0.00 C ATOM 129 CE LYS A 9 8.770 -8.048 -0.356 1.00 0.00 C ATOM 130 NZ LYS A 9 9.944 -8.928 -0.114 1.00 0.00 N ATOM 0 H LYS A 9 5.804 -5.063 1.894 1.00 0.00 H new ATOM 0 HA LYS A 9 7.296 -7.592 1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.992 -4.816 1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.611 -5.581 3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.295 -5.612 1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.816 -7.246 1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.253 -5.965 -0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.936 -6.288 -0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.949 -8.349 0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.426 -8.173 -1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.842 -9.802 -0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.813 -8.435 -0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.999 -9.163 0.898 1.00 0.00 H new ATOM 144 N SER A 10 7.732 -7.659 4.300 1.00 0.00 N ATOM 145 CA SER A 10 7.607 -7.936 5.724 1.00 0.00 C ATOM 146 C SER A 10 6.973 -6.737 6.432 1.00 0.00 C ATOM 147 O SER A 10 7.557 -5.654 6.513 1.00 0.00 O ATOM 148 CB SER A 10 8.984 -8.267 6.304 1.00 0.00 C ATOM 149 OG SER A 10 9.950 -7.322 5.887 1.00 0.00 O ATOM 0 H SER A 10 8.622 -7.946 3.893 1.00 0.00 H new ATOM 0 HA SER A 10 6.957 -8.798 5.879 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.930 -8.281 7.393 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.286 -9.265 5.987 1.00 0.00 H new ATOM 0 HG SER A 10 9.564 -6.422 5.922 1.00 0.00 H new ATOM 155 N GLY A 11 5.766 -6.955 6.921 1.00 0.00 N ATOM 156 CA GLY A 11 4.895 -5.871 7.312 1.00 0.00 C ATOM 157 C GLY A 11 3.586 -5.972 6.552 1.00 0.00 C ATOM 158 O GLY A 11 2.952 -4.971 6.248 1.00 0.00 O ATOM 0 H GLY A 11 5.367 -7.884 7.056 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.708 -5.910 8.385 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.374 -4.914 7.106 1.00 0.00 H new ATOM 162 N ASP A 12 3.185 -7.219 6.312 1.00 0.00 N ATOM 163 CA ASP A 12 2.058 -7.610 5.437 1.00 0.00 C ATOM 164 C ASP A 12 0.719 -6.932 5.731 1.00 0.00 C ATOM 165 O ASP A 12 -0.260 -7.203 5.050 1.00 0.00 O ATOM 166 CB ASP A 12 1.839 -9.117 5.508 1.00 0.00 C ATOM 167 CG ASP A 12 1.344 -9.561 6.873 1.00 0.00 C ATOM 168 OD1 ASP A 12 2.065 -9.347 7.874 1.00 0.00 O ATOM 169 OD2 ASP A 12 0.230 -10.120 6.959 1.00 0.00 O ATOM 0 H ASP A 12 3.648 -8.024 6.734 1.00 0.00 H new ATOM 0 HA ASP A 12 2.365 -7.275 4.446 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.117 -9.414 4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.773 -9.629 5.278 1.00 0.00 H new ATOM 174 N THR A 13 0.632 -6.107 6.745 1.00 0.00 N ATOM 175 CA THR A 13 -0.662 -5.605 7.162 1.00 0.00 C ATOM 176 C THR A 13 -0.739 -4.102 6.924 1.00 0.00 C ATOM 177 O THR A 13 0.289 -3.422 6.914 1.00 0.00 O ATOM 178 CB THR A 13 -0.914 -5.939 8.642 1.00 0.00 C ATOM 179 OG1 THR A 13 -0.408 -7.252 8.919 1.00 0.00 O ATOM 180 CG2 THR A 13 -2.398 -5.903 8.970 1.00 0.00 C ATOM 0 H THR A 13 1.425 -5.771 7.292 1.00 0.00 H new ATOM 0 HA THR A 13 -1.438 -6.089 6.569 1.00 0.00 H new ATOM 0 HB THR A 13 -0.406 -5.193 9.254 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.387 -7.397 9.888 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.544 -6.143 10.023 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.791 -4.907 8.767 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.924 -6.633 8.355 1.00 0.00 H new ATOM 188 N LEU A 14 -1.959 -3.596 6.747 1.00 0.00 N ATOM 189 CA LEU A 14 -2.184 -2.217 6.317 1.00 0.00 C ATOM 190 C LEU A 14 -1.460 -1.227 7.205 1.00 0.00 C ATOM 191 O LEU A 14 -0.759 -0.346 6.721 1.00 0.00 O ATOM 192 CB LEU A 14 -3.676 -1.901 6.362 1.00 0.00 C ATOM 193 CG LEU A 14 -4.531 -2.582 5.302 1.00 0.00 C ATOM 194 CD1 LEU A 14 -5.998 -2.539 5.703 1.00 0.00 C ATOM 195 CD2 LEU A 14 -4.326 -1.900 3.961 1.00 0.00 C ATOM 0 H LEU A 14 -2.816 -4.128 6.897 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.798 -2.125 5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.058 -2.181 7.344 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.803 -0.823 6.266 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.229 -3.626 5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.599 -3.029 4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.131 -3.055 6.654 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.317 -1.502 5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.940 -2.391 3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.615 -0.852 4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.276 -1.967 3.675 1.00 0.00 H new ATOM 207 N ASN A 15 -1.613 -1.401 8.505 1.00 0.00 N ATOM 208 CA ASN A 15 -1.004 -0.508 9.474 1.00 0.00 C ATOM 209 C ASN A 15 0.518 -0.539 9.374 1.00 0.00 C ATOM 210 O ASN A 15 1.172 0.493 9.506 1.00 0.00 O ATOM 211 CB ASN A 15 -1.460 -0.863 10.900 1.00 0.00 C ATOM 212 CG ASN A 15 -1.086 -2.274 11.335 1.00 0.00 C ATOM 213 OD1 ASN A 15 -0.961 -3.186 10.515 1.00 0.00 O ATOM 214 ND2 ASN A 15 -0.927 -2.467 12.635 1.00 0.00 N ATOM 0 H ASN A 15 -2.158 -2.159 8.917 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.334 0.506 9.247 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.022 -0.150 11.599 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.542 -0.749 10.964 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.693 -3.395 12.988 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.038 -1.688 13.284 1.00 0.00 H new ATOM 221 N LYS A 16 1.078 -1.716 9.110 1.00 0.00 N ATOM 222 CA LYS A 16 2.526 -1.865 9.117 1.00 0.00 C ATOM 223 C LYS A 16 3.151 -1.229 7.873 1.00 0.00 C ATOM 224 O LYS A 16 4.088 -0.429 7.976 1.00 0.00 O ATOM 225 CB LYS A 16 2.914 -3.346 9.247 1.00 0.00 C ATOM 226 CG LYS A 16 2.466 -3.970 10.566 1.00 0.00 C ATOM 227 CD LYS A 16 2.969 -5.401 10.738 1.00 0.00 C ATOM 228 CE LYS A 16 2.365 -6.345 9.710 1.00 0.00 C ATOM 229 NZ LYS A 16 2.753 -7.765 9.941 1.00 0.00 N ATOM 0 H LYS A 16 0.559 -2.567 8.892 1.00 0.00 H new ATOM 0 HA LYS A 16 2.921 -1.337 9.985 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.475 -3.904 8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.996 -3.441 9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.827 -3.360 11.394 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.377 -3.963 10.616 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.055 -5.416 10.650 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.725 -5.753 11.740 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.279 -6.260 9.737 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.684 -6.042 8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.681 -8.294 9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.732 -7.805 10.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.117 -8.188 10.646 1.00 0.00 H new ATOM 243 N ILE A 17 2.593 -1.527 6.704 1.00 0.00 N ATOM 244 CA ILE A 17 3.152 -1.006 5.464 1.00 0.00 C ATOM 245 C ILE A 17 2.869 0.482 5.307 1.00 0.00 C ATOM 246 O ILE A 17 3.768 1.251 4.967 1.00 0.00 O ATOM 247 CB ILE A 17 2.666 -1.762 4.204 1.00 0.00 C ATOM 248 CG1 ILE A 17 1.153 -2.001 4.209 1.00 0.00 C ATOM 249 CG2 ILE A 17 3.410 -3.076 4.051 1.00 0.00 C ATOM 250 CD1 ILE A 17 0.642 -2.570 2.901 1.00 0.00 C ATOM 0 H ILE A 17 1.768 -2.116 6.590 1.00 0.00 H new ATOM 0 HA ILE A 17 4.227 -1.165 5.544 1.00 0.00 H new ATOM 0 HB ILE A 17 2.885 -1.125 3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.901 -2.684 5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.642 -1.060 4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.055 -3.594 3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.478 -2.880 3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.232 -3.699 4.927 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.436 -2.718 2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.866 -1.876 2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.128 -3.526 2.705 1.00 0.00 H new ATOM 262 N ALA A 18 1.633 0.883 5.577 1.00 0.00 N ATOM 263 CA ALA A 18 1.227 2.279 5.435 1.00 0.00 C ATOM 264 C ALA A 18 2.071 3.198 6.304 1.00 0.00 C ATOM 265 O ALA A 18 2.617 4.196 5.824 1.00 0.00 O ATOM 266 CB ALA A 18 -0.233 2.437 5.808 1.00 0.00 C ATOM 0 H ALA A 18 0.891 0.260 5.897 1.00 0.00 H new ATOM 0 HA ALA A 18 1.376 2.560 4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.525 3.481 5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.845 1.818 5.152 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.380 2.125 6.842 1.00 0.00 H new ATOM 272 N ALA A 19 2.205 2.839 7.574 1.00 0.00 N ATOM 273 CA ALA A 19 2.947 3.661 8.516 1.00 0.00 C ATOM 274 C ALA A 19 4.433 3.640 8.192 1.00 0.00 C ATOM 275 O ALA A 19 5.173 4.554 8.562 1.00 0.00 O ATOM 276 CB ALA A 19 2.697 3.197 9.941 1.00 0.00 C ATOM 0 H ALA A 19 1.811 1.987 7.973 1.00 0.00 H new ATOM 0 HA ALA A 19 2.596 4.689 8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.261 3.824 10.632 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.633 3.273 10.167 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.017 2.161 10.048 1.00 0.00 H new ATOM 282 N GLN A 20 4.868 2.594 7.492 1.00 0.00 N ATOM 283 CA GLN A 20 6.265 2.488 7.079 1.00 0.00 C ATOM 284 C GLN A 20 6.674 3.631 6.148 1.00 0.00 C ATOM 285 O GLN A 20 7.718 4.249 6.351 1.00 0.00 O ATOM 286 CB GLN A 20 6.533 1.143 6.401 1.00 0.00 C ATOM 287 CG GLN A 20 7.421 0.215 7.218 1.00 0.00 C ATOM 288 CD GLN A 20 8.903 0.557 7.130 1.00 0.00 C ATOM 289 OE1 GLN A 20 9.752 -0.323 7.252 1.00 0.00 O ATOM 290 NE2 GLN A 20 9.236 1.822 6.913 1.00 0.00 N ATOM 0 H GLN A 20 4.279 1.814 7.201 1.00 0.00 H new ATOM 0 HA GLN A 20 6.869 2.558 7.983 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.582 0.646 6.209 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.001 1.321 5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.109 0.253 8.262 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.272 -0.810 6.878 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.509 2.531 6.816 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.219 2.086 6.843 1.00 0.00 H new ATOM 299 N TYR A 21 5.861 3.923 5.139 1.00 0.00 N ATOM 300 CA TYR A 21 6.198 4.993 4.199 1.00 0.00 C ATOM 301 C TYR A 21 5.328 6.235 4.390 1.00 0.00 C ATOM 302 O TYR A 21 5.308 7.124 3.540 1.00 0.00 O ATOM 303 CB TYR A 21 6.166 4.510 2.741 1.00 0.00 C ATOM 304 CG TYR A 21 5.202 3.380 2.448 1.00 0.00 C ATOM 305 CD1 TYR A 21 3.833 3.539 2.586 1.00 0.00 C ATOM 306 CD2 TYR A 21 5.677 2.148 2.013 1.00 0.00 C ATOM 307 CE1 TYR A 21 2.963 2.502 2.302 1.00 0.00 C ATOM 308 CE2 TYR A 21 4.814 1.110 1.725 1.00 0.00 C ATOM 309 CZ TYR A 21 3.457 1.293 1.871 1.00 0.00 C ATOM 310 OH TYR A 21 2.588 0.267 1.580 1.00 0.00 O ATOM 0 H TYR A 21 4.979 3.446 4.950 1.00 0.00 H new ATOM 0 HA TYR A 21 7.224 5.284 4.426 1.00 0.00 H new ATOM 0 HB2 TYR A 21 5.912 5.356 2.102 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.169 4.190 2.461 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.439 4.487 2.920 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.741 2.000 1.898 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.898 2.641 2.418 1.00 0.00 H new ATOM 0 HE2 TYR A 21 5.201 0.160 1.387 1.00 0.00 H new ATOM 0 HH TYR A 21 3.054 -0.417 1.055 1.00 0.00 H new ATOM 320 N GLY A 22 4.617 6.292 5.507 1.00 0.00 N ATOM 321 CA GLY A 22 3.959 7.524 5.914 1.00 0.00 C ATOM 322 C GLY A 22 2.663 7.818 5.176 1.00 0.00 C ATOM 323 O GLY A 22 2.307 8.981 4.983 1.00 0.00 O ATOM 0 H GLY A 22 4.482 5.506 6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.751 7.474 6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.646 8.356 5.761 1.00 0.00 H new ATOM 327 N VAL A 23 1.945 6.782 4.782 1.00 0.00 N ATOM 328 CA VAL A 23 0.637 6.958 4.168 1.00 0.00 C ATOM 329 C VAL A 23 -0.419 6.360 5.089 1.00 0.00 C ATOM 330 O VAL A 23 -0.096 5.561 5.967 1.00 0.00 O ATOM 331 CB VAL A 23 0.560 6.300 2.767 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.650 4.792 2.876 1.00 0.00 C ATOM 333 CG2 VAL A 23 -0.702 6.707 2.026 1.00 0.00 C ATOM 0 H VAL A 23 2.243 5.811 4.875 1.00 0.00 H new ATOM 0 HA VAL A 23 0.460 8.024 4.029 1.00 0.00 H new ATOM 0 HB VAL A 23 1.413 6.658 2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.594 4.351 1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.596 4.517 3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.175 4.421 3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.721 6.226 1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.576 6.398 2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.716 7.789 1.898 1.00 0.00 H new ATOM 343 N SER A 24 -1.663 6.766 4.925 1.00 0.00 N ATOM 344 CA SER A 24 -2.732 6.231 5.739 1.00 0.00 C ATOM 345 C SER A 24 -3.404 5.049 5.041 1.00 0.00 C ATOM 346 O SER A 24 -3.389 4.929 3.803 1.00 0.00 O ATOM 347 CB SER A 24 -3.748 7.329 6.061 1.00 0.00 C ATOM 348 OG SER A 24 -3.102 8.456 6.636 1.00 0.00 O ATOM 0 H SER A 24 -1.956 7.461 4.238 1.00 0.00 H new ATOM 0 HA SER A 24 -2.310 5.867 6.676 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.270 7.627 5.152 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.501 6.945 6.749 1.00 0.00 H new ATOM 0 HG SER A 24 -3.767 9.148 6.834 1.00 0.00 H new ATOM 354 N VAL A 25 -3.972 4.167 5.844 1.00 0.00 N ATOM 355 CA VAL A 25 -4.679 3.004 5.337 1.00 0.00 C ATOM 356 C VAL A 25 -5.803 3.421 4.388 1.00 0.00 C ATOM 357 O VAL A 25 -6.014 2.796 3.348 1.00 0.00 O ATOM 358 CB VAL A 25 -5.254 2.171 6.504 1.00 0.00 C ATOM 359 CG1 VAL A 25 -6.013 0.961 5.996 1.00 0.00 C ATOM 360 CG2 VAL A 25 -4.146 1.741 7.455 1.00 0.00 C ATOM 0 H VAL A 25 -3.957 4.236 6.862 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.968 2.392 4.782 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.955 2.804 7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.405 0.396 6.842 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.839 1.288 5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.342 0.328 5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.572 1.156 8.270 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.418 1.135 6.915 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.653 2.624 7.862 1.00 0.00 H new ATOM 370 N ALA A 26 -6.484 4.506 4.728 1.00 0.00 N ATOM 371 CA ALA A 26 -7.647 4.958 3.973 1.00 0.00 C ATOM 372 C ALA A 26 -7.306 5.318 2.525 1.00 0.00 C ATOM 373 O ALA A 26 -7.969 4.856 1.594 1.00 0.00 O ATOM 374 CB ALA A 26 -8.279 6.150 4.674 1.00 0.00 C ATOM 0 H ALA A 26 -6.250 5.094 5.528 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.354 4.129 3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.148 6.486 4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.590 5.859 5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.553 6.960 4.740 1.00 0.00 H new ATOM 380 N ASN A 27 -6.255 6.106 2.322 1.00 0.00 N ATOM 381 CA ASN A 27 -5.924 6.570 0.980 1.00 0.00 C ATOM 382 C ASN A 27 -5.283 5.483 0.137 1.00 0.00 C ATOM 383 O ASN A 27 -5.549 5.414 -1.067 1.00 0.00 O ATOM 384 CB ASN A 27 -5.094 7.876 0.966 1.00 0.00 C ATOM 385 CG ASN A 27 -4.032 7.996 2.041 1.00 0.00 C ATOM 386 OD1 ASN A 27 -4.122 7.392 3.101 1.00 0.00 O ATOM 387 ND2 ASN A 27 -3.039 8.832 1.787 1.00 0.00 N ATOM 0 H ASN A 27 -5.627 6.432 3.057 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.878 6.819 0.516 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.611 7.966 -0.007 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.778 8.719 1.062 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.314 8.991 2.487 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.998 9.318 0.891 1.00 0.00 H new ATOM 394 N LEU A 28 -4.485 4.593 0.729 1.00 0.00 N ATOM 395 CA LEU A 28 -3.929 3.519 -0.083 1.00 0.00 C ATOM 396 C LEU A 28 -5.005 2.503 -0.463 1.00 0.00 C ATOM 397 O LEU A 28 -4.955 1.918 -1.540 1.00 0.00 O ATOM 398 CB LEU A 28 -2.663 2.868 0.511 1.00 0.00 C ATOM 399 CG LEU A 28 -2.742 2.223 1.896 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.500 0.902 1.854 1.00 0.00 C ATOM 401 CD2 LEU A 28 -1.329 2.002 2.402 1.00 0.00 C ATOM 0 H LEU A 28 -4.222 4.592 1.714 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.577 3.983 -1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.326 2.104 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.886 3.632 0.547 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.287 2.886 2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.537 0.472 2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.515 1.076 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.991 0.212 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.364 1.542 3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.795 1.346 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.811 2.959 2.465 1.00 0.00 H new ATOM 413 N ARG A 29 -5.989 2.312 0.404 1.00 0.00 N ATOM 414 CA ARG A 29 -7.138 1.477 0.063 1.00 0.00 C ATOM 415 C ARG A 29 -7.930 2.095 -1.088 1.00 0.00 C ATOM 416 O ARG A 29 -8.455 1.383 -1.944 1.00 0.00 O ATOM 417 CB ARG A 29 -8.055 1.294 1.272 1.00 0.00 C ATOM 418 CG ARG A 29 -7.502 0.349 2.325 1.00 0.00 C ATOM 419 CD ARG A 29 -8.306 0.422 3.611 1.00 0.00 C ATOM 420 NE ARG A 29 -9.715 0.100 3.406 1.00 0.00 N ATOM 421 CZ ARG A 29 -10.658 0.249 4.332 1.00 0.00 C ATOM 422 NH1 ARG A 29 -10.359 0.750 5.525 1.00 0.00 N ATOM 423 NH2 ARG A 29 -11.909 -0.085 4.056 1.00 0.00 N ATOM 0 H ARG A 29 -6.018 2.718 1.339 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.760 0.502 -0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.236 2.267 1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.020 0.918 0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.515 -0.672 1.943 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.461 0.599 2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.881 -0.267 4.341 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.223 1.424 4.032 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.994 -0.262 2.494 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.400 1.024 5.737 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.089 0.861 6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.147 -0.455 3.136 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.635 0.028 4.764 1.00 0.00 H new ATOM 437 N SER A 30 -7.982 3.424 -1.118 1.00 0.00 N ATOM 438 CA SER A 30 -8.814 4.137 -2.079 1.00 0.00 C ATOM 439 C SER A 30 -8.276 4.053 -3.514 1.00 0.00 C ATOM 440 O SER A 30 -9.042 3.788 -4.439 1.00 0.00 O ATOM 441 CB SER A 30 -8.971 5.597 -1.648 1.00 0.00 C ATOM 442 OG SER A 30 -9.580 5.683 -0.367 1.00 0.00 O ATOM 0 H SER A 30 -7.456 4.028 -0.486 1.00 0.00 H new ATOM 0 HA SER A 30 -9.789 3.649 -2.086 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.995 6.081 -1.624 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.575 6.134 -2.379 1.00 0.00 H new ATOM 0 HG SER A 30 -8.922 5.459 0.324 1.00 0.00 H new ATOM 448 N TRP A 31 -6.972 4.245 -3.719 1.00 0.00 N ATOM 449 CA TRP A 31 -6.436 4.205 -5.086 1.00 0.00 C ATOM 450 C TRP A 31 -6.125 2.780 -5.541 1.00 0.00 C ATOM 451 O TRP A 31 -5.711 2.559 -6.678 1.00 0.00 O ATOM 452 CB TRP A 31 -5.206 5.109 -5.269 1.00 0.00 C ATOM 453 CG TRP A 31 -4.191 5.027 -4.174 1.00 0.00 C ATOM 454 CD1 TRP A 31 -3.729 3.903 -3.566 1.00 0.00 C ATOM 455 CD2 TRP A 31 -3.490 6.125 -3.577 1.00 0.00 C ATOM 456 NE1 TRP A 31 -2.792 4.232 -2.623 1.00 0.00 N ATOM 457 CE2 TRP A 31 -2.632 5.587 -2.604 1.00 0.00 C ATOM 458 CE3 TRP A 31 -3.509 7.512 -3.762 1.00 0.00 C ATOM 459 CZ2 TRP A 31 -1.800 6.379 -1.823 1.00 0.00 C ATOM 460 CZ3 TRP A 31 -2.678 8.298 -2.982 1.00 0.00 C ATOM 461 CH2 TRP A 31 -1.836 7.727 -2.023 1.00 0.00 C ATOM 0 H TRP A 31 -6.286 4.424 -2.986 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.228 4.599 -5.723 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -4.723 4.852 -6.212 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.543 6.142 -5.355 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -4.053 2.898 -3.793 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.293 3.570 -2.029 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.159 7.960 -4.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.147 5.942 -1.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.680 9.370 -3.117 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.201 8.367 -1.428 1.00 0.00 H new ATOM 472 N ASN A 32 -6.323 1.814 -4.655 1.00 0.00 N ATOM 473 CA ASN A 32 -6.178 0.416 -5.031 1.00 0.00 C ATOM 474 C ASN A 32 -7.535 -0.207 -5.289 1.00 0.00 C ATOM 475 O ASN A 32 -7.643 -1.199 -6.015 1.00 0.00 O ATOM 476 CB ASN A 32 -5.465 -0.388 -3.940 1.00 0.00 C ATOM 477 CG ASN A 32 -3.958 -0.294 -4.021 1.00 0.00 C ATOM 478 OD1 ASN A 32 -3.319 -1.064 -4.733 1.00 0.00 O ATOM 479 ND2 ASN A 32 -3.377 0.627 -3.271 1.00 0.00 N ATOM 0 H ASN A 32 -6.582 1.970 -3.681 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.577 0.388 -5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.793 -0.033 -2.963 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.762 -1.434 -4.015 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.361 0.717 -3.270 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.945 1.247 -2.694 1.00 0.00 H new ATOM 486 N GLY A 33 -8.575 0.395 -4.718 1.00 0.00 N ATOM 487 CA GLY A 33 -9.882 -0.234 -4.713 1.00 0.00 C ATOM 488 C GLY A 33 -9.821 -1.565 -3.995 1.00 0.00 C ATOM 489 O GLY A 33 -10.520 -2.514 -4.347 1.00 0.00 O ATOM 0 H GLY A 33 -8.535 1.305 -4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.605 0.418 -4.224 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.227 -0.381 -5.737 1.00 0.00 H new ATOM 493 N ILE A 34 -8.974 -1.622 -2.978 1.00 0.00 N ATOM 494 CA ILE A 34 -8.643 -2.871 -2.321 1.00 0.00 C ATOM 495 C ILE A 34 -9.028 -2.848 -0.856 1.00 0.00 C ATOM 496 O ILE A 34 -8.662 -1.930 -0.120 1.00 0.00 O ATOM 497 CB ILE A 34 -7.125 -3.172 -2.441 1.00 0.00 C ATOM 498 CG1 ILE A 34 -6.780 -3.571 -3.874 1.00 0.00 C ATOM 499 CG2 ILE A 34 -6.691 -4.262 -1.467 1.00 0.00 C ATOM 500 CD1 ILE A 34 -7.538 -4.786 -4.347 1.00 0.00 C ATOM 0 H ILE A 34 -8.501 -0.807 -2.589 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.212 -3.655 -2.822 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.582 -2.263 -2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.994 -2.735 -4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.710 -3.768 -3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.623 -4.446 -1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.899 -3.941 -0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.241 -5.179 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.249 -5.019 -5.372 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.305 -5.634 -3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.609 -4.585 -4.309 1.00 0.00 H new ATOM 512 N SER A 35 -9.792 -3.844 -0.446 1.00 0.00 N ATOM 513 CA SER A 35 -9.989 -4.106 0.961 1.00 0.00 C ATOM 514 C SER A 35 -8.699 -4.701 1.514 1.00 0.00 C ATOM 515 O SER A 35 -8.299 -5.802 1.134 1.00 0.00 O ATOM 516 CB SER A 35 -11.165 -5.061 1.157 1.00 0.00 C ATOM 517 OG SER A 35 -12.316 -4.590 0.472 1.00 0.00 O ATOM 0 H SER A 35 -10.285 -4.483 -1.070 1.00 0.00 H new ATOM 0 HA SER A 35 -10.224 -3.185 1.494 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.899 -6.053 0.791 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.384 -5.162 2.220 1.00 0.00 H new ATOM 0 HG SER A 35 -13.057 -5.216 0.609 1.00 0.00 H new ATOM 523 N GLY A 36 -8.045 -3.956 2.391 1.00 0.00 N ATOM 524 CA GLY A 36 -6.707 -4.308 2.846 1.00 0.00 C ATOM 525 C GLY A 36 -6.640 -5.565 3.699 1.00 0.00 C ATOM 526 O GLY A 36 -5.585 -5.886 4.246 1.00 0.00 O ATOM 0 H GLY A 36 -8.419 -3.101 2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.064 -4.440 1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.301 -3.474 3.418 1.00 0.00 H new ATOM 530 N ASP A 37 -7.750 -6.273 3.818 1.00 0.00 N ATOM 531 CA ASP A 37 -7.778 -7.528 4.549 1.00 0.00 C ATOM 532 C ASP A 37 -6.970 -8.585 3.808 1.00 0.00 C ATOM 533 O ASP A 37 -6.317 -9.430 4.418 1.00 0.00 O ATOM 534 CB ASP A 37 -9.218 -8.014 4.727 1.00 0.00 C ATOM 535 CG ASP A 37 -10.073 -7.053 5.530 1.00 0.00 C ATOM 536 OD1 ASP A 37 -10.508 -6.023 4.969 1.00 0.00 O ATOM 537 OD2 ASP A 37 -10.335 -7.333 6.718 1.00 0.00 O ATOM 0 H ASP A 37 -8.647 -5.999 3.416 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.338 -7.362 5.532 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.670 -8.161 3.746 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.209 -8.985 5.222 1.00 0.00 H new ATOM 542 N LEU A 38 -6.996 -8.510 2.482 1.00 0.00 N ATOM 543 CA LEU A 38 -6.329 -9.501 1.646 1.00 0.00 C ATOM 544 C LEU A 38 -4.933 -9.043 1.209 1.00 0.00 C ATOM 545 O LEU A 38 -4.491 -9.340 0.097 1.00 0.00 O ATOM 546 CB LEU A 38 -7.208 -9.853 0.432 1.00 0.00 C ATOM 547 CG LEU A 38 -7.878 -8.676 -0.294 1.00 0.00 C ATOM 548 CD1 LEU A 38 -6.873 -7.879 -1.113 1.00 0.00 C ATOM 549 CD2 LEU A 38 -9.001 -9.182 -1.186 1.00 0.00 C ATOM 0 H LEU A 38 -7.472 -7.773 1.963 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.188 -10.400 2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.594 -10.393 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.988 -10.538 0.763 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.293 -8.009 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.383 -7.055 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.100 -7.482 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.415 -8.528 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.469 -8.339 -1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.595 -9.873 -1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.745 -9.697 -0.578 1.00 0.00 H new ATOM 561 N ILE A 39 -4.212 -8.382 2.106 1.00 0.00 N ATOM 562 CA ILE A 39 -2.858 -7.932 1.800 1.00 0.00 C ATOM 563 C ILE A 39 -1.842 -8.978 2.249 1.00 0.00 C ATOM 564 O ILE A 39 -1.926 -9.509 3.359 1.00 0.00 O ATOM 565 CB ILE A 39 -2.527 -6.562 2.456 1.00 0.00 C ATOM 566 CG1 ILE A 39 -3.297 -5.433 1.756 1.00 0.00 C ATOM 567 CG2 ILE A 39 -1.030 -6.282 2.415 1.00 0.00 C ATOM 568 CD1 ILE A 39 -2.740 -4.051 2.039 1.00 0.00 C ATOM 0 H ILE A 39 -4.537 -8.147 3.044 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.801 -7.801 0.719 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.837 -6.606 3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.283 -5.608 0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.340 -5.467 2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.827 -5.317 2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.498 -7.065 2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.692 -6.263 1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.334 -3.304 1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.779 -3.855 3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.706 -3.999 1.698 1.00 0.00 H new ATOM 580 N PHE A 40 -0.907 -9.293 1.362 1.00 0.00 N ATOM 581 CA PHE A 40 0.087 -10.326 1.617 1.00 0.00 C ATOM 582 C PHE A 40 1.391 -10.002 0.895 1.00 0.00 C ATOM 583 O PHE A 40 1.408 -9.205 -0.045 1.00 0.00 O ATOM 584 CB PHE A 40 -0.438 -11.700 1.171 1.00 0.00 C ATOM 585 CG PHE A 40 -0.743 -11.795 -0.301 1.00 0.00 C ATOM 586 CD1 PHE A 40 -1.936 -11.307 -0.812 1.00 0.00 C ATOM 587 CD2 PHE A 40 0.165 -12.374 -1.175 1.00 0.00 C ATOM 588 CE1 PHE A 40 -2.218 -11.394 -2.161 1.00 0.00 C ATOM 589 CE2 PHE A 40 -0.112 -12.464 -2.526 1.00 0.00 C ATOM 590 CZ PHE A 40 -1.305 -11.973 -3.020 1.00 0.00 C ATOM 0 H PHE A 40 -0.817 -8.843 0.451 1.00 0.00 H new ATOM 0 HA PHE A 40 0.280 -10.358 2.689 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.300 -12.460 1.428 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.342 -11.931 1.734 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.655 -10.853 -0.146 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.100 -12.759 -0.795 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.152 -11.010 -2.544 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.604 -12.918 -3.195 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.523 -12.042 -4.076 1.00 0.00 H new ATOM 600 N VAL A 41 2.475 -10.629 1.333 1.00 0.00 N ATOM 601 CA VAL A 41 3.791 -10.402 0.744 1.00 0.00 C ATOM 602 C VAL A 41 3.814 -10.795 -0.734 1.00 0.00 C ATOM 603 O VAL A 41 3.382 -11.886 -1.103 1.00 0.00 O ATOM 604 CB VAL A 41 4.883 -11.186 1.505 1.00 0.00 C ATOM 605 CG1 VAL A 41 6.238 -11.023 0.833 1.00 0.00 C ATOM 606 CG2 VAL A 41 4.948 -10.733 2.957 1.00 0.00 C ATOM 0 H VAL A 41 2.470 -11.303 2.099 1.00 0.00 H new ATOM 0 HA VAL A 41 3.999 -9.335 0.825 1.00 0.00 H new ATOM 0 HB VAL A 41 4.620 -12.244 1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.989 -11.585 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.185 -11.399 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.512 -9.968 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.722 -11.295 3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.183 -9.669 2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.985 -10.910 3.437 1.00 0.00 H new ATOM 616 N GLY A 42 4.311 -9.892 -1.574 1.00 0.00 N ATOM 617 CA GLY A 42 4.379 -10.154 -3.002 1.00 0.00 C ATOM 618 C GLY A 42 3.324 -9.388 -3.769 1.00 0.00 C ATOM 619 O GLY A 42 3.443 -9.172 -4.976 1.00 0.00 O ATOM 0 H GLY A 42 4.669 -8.980 -1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.367 -9.882 -3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.254 -11.222 -3.181 1.00 0.00 H new ATOM 623 N GLN A 43 2.287 -8.979 -3.055 1.00 0.00 N ATOM 624 CA GLN A 43 1.209 -8.189 -3.628 1.00 0.00 C ATOM 625 C GLN A 43 1.694 -6.780 -3.954 1.00 0.00 C ATOM 626 O GLN A 43 2.341 -6.136 -3.136 1.00 0.00 O ATOM 627 CB GLN A 43 0.050 -8.135 -2.636 1.00 0.00 C ATOM 628 CG GLN A 43 -0.990 -7.066 -2.921 1.00 0.00 C ATOM 629 CD GLN A 43 -1.866 -6.825 -1.715 1.00 0.00 C ATOM 630 OE1 GLN A 43 -1.427 -7.005 -0.586 1.00 0.00 O ATOM 631 NE2 GLN A 43 -3.102 -6.422 -1.931 1.00 0.00 N ATOM 0 H GLN A 43 2.169 -9.185 -2.063 1.00 0.00 H new ATOM 0 HA GLN A 43 0.874 -8.653 -4.555 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.444 -9.107 -2.624 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.454 -7.970 -1.637 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.494 -6.138 -3.205 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.606 -7.370 -3.767 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.433 -6.282 -2.885 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.727 -6.250 -1.144 1.00 0.00 H new ATOM 640 N LYS A 44 1.385 -6.315 -5.150 1.00 0.00 N ATOM 641 CA LYS A 44 1.762 -4.978 -5.568 1.00 0.00 C ATOM 642 C LYS A 44 0.593 -4.022 -5.362 1.00 0.00 C ATOM 643 O LYS A 44 -0.392 -4.072 -6.103 1.00 0.00 O ATOM 644 CB LYS A 44 2.167 -5.001 -7.042 1.00 0.00 C ATOM 645 CG LYS A 44 2.543 -3.641 -7.605 1.00 0.00 C ATOM 646 CD LYS A 44 2.492 -3.630 -9.127 1.00 0.00 C ATOM 647 CE LYS A 44 1.060 -3.536 -9.653 1.00 0.00 C ATOM 648 NZ LYS A 44 0.225 -4.720 -9.304 1.00 0.00 N ATOM 0 H LYS A 44 0.871 -6.847 -5.852 1.00 0.00 H new ATOM 0 HA LYS A 44 2.606 -4.635 -4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.012 -5.679 -7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.343 -5.409 -7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.864 -2.884 -7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.546 -3.374 -7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.072 -2.787 -9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.960 -4.536 -9.512 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.591 -2.638 -9.251 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.085 -3.425 -10.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.564 -4.799 -9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.807 -5.581 -9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.151 -4.608 -8.341 1.00 0.00 H new ATOM 662 N LEU A 45 0.694 -3.158 -4.364 1.00 0.00 N ATOM 663 CA LEU A 45 -0.384 -2.227 -4.064 1.00 0.00 C ATOM 664 C LEU A 45 0.085 -0.780 -4.286 1.00 0.00 C ATOM 665 O LEU A 45 1.256 -0.459 -4.065 1.00 0.00 O ATOM 666 CB LEU A 45 -0.960 -2.492 -2.634 1.00 0.00 C ATOM 667 CG LEU A 45 -0.204 -1.965 -1.396 1.00 0.00 C ATOM 668 CD1 LEU A 45 1.268 -2.308 -1.442 1.00 0.00 C ATOM 669 CD2 LEU A 45 -0.416 -0.474 -1.200 1.00 0.00 C ATOM 0 H LEU A 45 1.506 -3.081 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.213 -2.389 -4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.965 -2.072 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.062 -3.571 -2.519 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.627 -2.474 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.761 -1.918 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.388 -3.391 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.718 -1.863 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.132 -0.141 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.054 0.063 -2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.479 -0.272 -1.064 1.00 0.00 H new ATOM 681 N ILE A 46 -0.815 0.069 -4.789 1.00 0.00 N ATOM 682 CA ILE A 46 -0.494 1.473 -5.061 1.00 0.00 C ATOM 683 C ILE A 46 -0.243 2.229 -3.764 1.00 0.00 C ATOM 684 O ILE A 46 -0.988 2.088 -2.795 1.00 0.00 O ATOM 685 CB ILE A 46 -1.617 2.230 -5.836 1.00 0.00 C ATOM 686 CG1 ILE A 46 -1.803 1.715 -7.268 1.00 0.00 C ATOM 687 CG2 ILE A 46 -1.315 3.726 -5.885 1.00 0.00 C ATOM 688 CD1 ILE A 46 -2.434 0.345 -7.367 1.00 0.00 C ATOM 0 H ILE A 46 -1.774 -0.192 -5.017 1.00 0.00 H new ATOM 0 HA ILE A 46 0.399 1.445 -5.685 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.542 2.046 -5.290 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.420 2.425 -7.818 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.831 1.689 -7.760 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.108 4.240 -6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.258 4.119 -4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.363 3.889 -6.391 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.527 0.062 -8.416 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.809 -0.382 -6.849 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.422 0.366 -6.908 1.00 0.00 H new ATOM 700 N VAL A 47 0.795 3.041 -3.763 1.00 0.00 N ATOM 701 CA VAL A 47 1.073 3.929 -2.663 1.00 0.00 C ATOM 702 C VAL A 47 1.795 5.173 -3.188 1.00 0.00 C ATOM 703 O VAL A 47 2.723 5.089 -3.977 1.00 0.00 O ATOM 704 CB VAL A 47 1.910 3.247 -1.555 1.00 0.00 C ATOM 705 CG1 VAL A 47 3.249 2.750 -2.087 1.00 0.00 C ATOM 706 CG2 VAL A 47 2.110 4.199 -0.389 1.00 0.00 C ATOM 0 H VAL A 47 1.467 3.100 -4.528 1.00 0.00 H new ATOM 0 HA VAL A 47 0.123 4.213 -2.211 1.00 0.00 H new ATOM 0 HB VAL A 47 1.358 2.375 -1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.808 2.277 -1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.078 2.025 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.820 3.592 -2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.700 3.708 0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.633 5.091 -0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.140 4.482 0.020 1.00 0.00 H new ATOM 716 N LYS A 48 1.306 6.325 -2.831 1.00 0.00 N ATOM 717 CA LYS A 48 2.021 7.559 -3.128 1.00 0.00 C ATOM 718 C LYS A 48 1.935 8.527 -1.963 1.00 0.00 C ATOM 719 O LYS A 48 0.848 8.906 -1.532 1.00 0.00 O ATOM 720 CB LYS A 48 1.486 8.207 -4.405 1.00 0.00 C ATOM 721 CG LYS A 48 2.251 9.456 -4.823 1.00 0.00 C ATOM 722 CD LYS A 48 1.562 10.178 -5.970 1.00 0.00 C ATOM 723 CE LYS A 48 2.418 11.308 -6.526 1.00 0.00 C ATOM 724 NZ LYS A 48 2.829 12.287 -5.481 1.00 0.00 N ATOM 0 H LYS A 48 0.422 6.449 -2.337 1.00 0.00 H new ATOM 0 HA LYS A 48 3.070 7.308 -3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.525 7.479 -5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.437 8.466 -4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.342 10.130 -3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.263 9.181 -5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.339 9.466 -6.765 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.609 10.580 -5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.308 10.887 -6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.863 11.828 -7.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.038 13.203 -5.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.058 12.405 -4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.678 11.938 -4.993 1.00 0.00 H new ATOM 738 N LYS A 49 3.088 8.915 -1.449 1.00 0.00 N ATOM 739 CA LYS A 49 3.148 9.858 -0.348 1.00 0.00 C ATOM 740 C LYS A 49 3.043 11.276 -0.893 1.00 0.00 C ATOM 741 O LYS A 49 3.962 11.766 -1.549 1.00 0.00 O ATOM 742 CB LYS A 49 4.456 9.678 0.427 1.00 0.00 C ATOM 743 CG LYS A 49 4.323 9.883 1.932 1.00 0.00 C ATOM 744 CD LYS A 49 3.807 11.267 2.282 1.00 0.00 C ATOM 745 CE LYS A 49 3.741 11.470 3.786 1.00 0.00 C ATOM 746 NZ LYS A 49 3.170 12.793 4.144 1.00 0.00 N ATOM 0 H LYS A 49 3.997 8.590 -1.778 1.00 0.00 H new ATOM 0 HA LYS A 49 2.317 9.675 0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.841 8.675 0.241 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.194 10.380 0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.647 9.132 2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.293 9.729 2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.457 12.022 1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.816 11.407 1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.135 10.681 4.232 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.742 11.381 4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.143 12.891 5.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.762 13.547 3.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.205 12.869 3.764 1.00 0.00 H new ATOM 760 N GLY A 50 1.914 11.916 -0.650 1.00 0.00 N ATOM 761 CA GLY A 50 1.709 13.258 -1.140 1.00 0.00 C ATOM 762 C GLY A 50 0.805 13.281 -2.351 1.00 0.00 C ATOM 763 O GLY A 50 1.275 13.268 -3.489 1.00 0.00 O ATOM 0 H GLY A 50 1.133 11.528 -0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.274 13.871 -0.350 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.671 13.703 -1.396 1.00 0.00 H new ATOM 767 N SER A 51 -0.494 13.268 -2.109 1.00 0.00 N ATOM 768 CA SER A 51 -1.474 13.333 -3.177 1.00 0.00 C ATOM 769 C SER A 51 -2.646 14.203 -2.744 1.00 0.00 C ATOM 770 O SER A 51 -3.542 13.691 -2.043 1.00 0.00 O ATOM 771 CB SER A 51 -1.951 11.926 -3.545 1.00 0.00 C ATOM 772 OG SER A 51 -0.847 11.082 -3.834 1.00 0.00 O ATOM 0 H SER A 51 -0.896 13.212 -1.173 1.00 0.00 H new ATOM 0 HA SER A 51 -1.014 13.777 -4.060 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.531 11.506 -2.723 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.613 11.976 -4.409 1.00 0.00 H new ATOM 0 HG SER A 51 -1.045 10.170 -3.533 1.00 0.00 H new TER 778 SER A 51