USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 366 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 40:sc= 0.609 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 9:sc= 0.0114 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -140:sc=-0.00961 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 47:sc= 0.532 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00508) USER MOD Single : A 31 SER OG : rot -59:sc= 0.0205 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -46:sc= 0.0552 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.78 K(o=-2.8,f=-3.5) USER MOD Single : A 42 ASN : amide:sc= -0.285 K(o=-0.29,f=-3!) USER MOD Single : A 46 ASN : amide:sc= 0.725 K(o=0.72,f=-3.8!) USER MOD Single : A 47 LYS NZ :NH3+ -113:sc= -0.34 (180deg=-0.809) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 104:sc= -2.99! USER MOD Single : A 55 LYS NZ :NH3+ 152:sc= 1.28 (180deg=0.748) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.676 18.970 11.781 1.00 0.00 N ATOM 2 CA GLY A 1 9.230 19.078 10.404 1.00 0.00 C ATOM 3 C GLY A 1 9.377 17.775 9.644 1.00 0.00 C ATOM 4 O GLY A 1 10.480 17.241 9.521 1.00 0.00 O ATOM 0 H1 GLY A 1 9.555 19.886 12.258 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.113 18.247 12.273 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.680 18.699 11.801 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.186 19.389 10.387 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.803 19.856 9.900 1.00 0.00 H new ATOM 8 N SER A 2 8.263 17.261 9.132 1.00 0.00 N ATOM 9 CA SER A 2 8.272 16.010 8.384 1.00 0.00 C ATOM 10 C SER A 2 8.409 16.272 6.888 1.00 0.00 C ATOM 11 O SER A 2 8.195 15.380 6.067 1.00 0.00 O ATOM 12 CB SER A 2 6.992 15.218 8.659 1.00 0.00 C ATOM 13 OG SER A 2 5.903 15.733 7.913 1.00 0.00 O ATOM 0 H SER A 2 7.343 17.692 9.222 1.00 0.00 H new ATOM 0 HA SER A 2 9.131 15.425 8.713 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.148 14.170 8.404 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.758 15.256 9.723 1.00 0.00 H new ATOM 0 HG SER A 2 5.098 15.209 8.105 1.00 0.00 H new ATOM 19 N SER A 3 8.768 17.504 6.540 1.00 0.00 N ATOM 20 CA SER A 3 8.931 17.887 5.142 1.00 0.00 C ATOM 21 C SER A 3 10.367 18.315 4.860 1.00 0.00 C ATOM 22 O SER A 3 11.017 18.939 5.698 1.00 0.00 O ATOM 23 CB SER A 3 7.969 19.023 4.787 1.00 0.00 C ATOM 24 OG SER A 3 6.642 18.544 4.654 1.00 0.00 O ATOM 0 H SER A 3 8.951 18.254 7.207 1.00 0.00 H new ATOM 0 HA SER A 3 8.701 17.019 4.524 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.006 19.790 5.560 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.284 19.493 3.856 1.00 0.00 H new ATOM 0 HG SER A 3 6.046 19.289 4.429 1.00 0.00 H new ATOM 30 N GLY A 4 10.857 17.975 3.672 1.00 0.00 N ATOM 31 CA GLY A 4 12.214 18.332 3.299 1.00 0.00 C ATOM 32 C GLY A 4 12.415 19.831 3.207 1.00 0.00 C ATOM 33 O GLY A 4 12.552 20.509 4.225 1.00 0.00 O ATOM 0 H GLY A 4 10.339 17.459 2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.909 17.920 4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.455 17.877 2.338 1.00 0.00 H new ATOM 37 N SER A 5 12.434 20.351 1.984 1.00 0.00 N ATOM 38 CA SER A 5 12.625 21.779 1.763 1.00 0.00 C ATOM 39 C SER A 5 11.355 22.419 1.210 1.00 0.00 C ATOM 40 O SER A 5 10.610 21.794 0.455 1.00 0.00 O ATOM 41 CB SER A 5 13.790 22.016 0.800 1.00 0.00 C ATOM 42 OG SER A 5 13.803 23.355 0.335 1.00 0.00 O ATOM 0 H SER A 5 12.319 19.804 1.131 1.00 0.00 H new ATOM 0 HA SER A 5 12.856 22.242 2.723 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.732 21.793 1.302 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.710 21.334 -0.047 1.00 0.00 H new ATOM 0 HG SER A 5 14.558 23.481 -0.277 1.00 0.00 H new ATOM 48 N SER A 6 11.114 23.669 1.592 1.00 0.00 N ATOM 49 CA SER A 6 9.933 24.393 1.139 1.00 0.00 C ATOM 50 C SER A 6 10.262 25.859 0.874 1.00 0.00 C ATOM 51 O SER A 6 11.268 26.378 1.356 1.00 0.00 O ATOM 52 CB SER A 6 8.815 24.290 2.179 1.00 0.00 C ATOM 53 OG SER A 6 9.075 25.127 3.292 1.00 0.00 O ATOM 0 H SER A 6 11.722 24.201 2.215 1.00 0.00 H new ATOM 0 HA SER A 6 9.596 23.940 0.207 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.864 24.569 1.724 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.718 23.257 2.512 1.00 0.00 H new ATOM 0 HG SER A 6 8.345 25.044 3.941 1.00 0.00 H new ATOM 59 N GLY A 7 9.406 26.522 0.102 1.00 0.00 N ATOM 60 CA GLY A 7 9.623 27.921 -0.215 1.00 0.00 C ATOM 61 C GLY A 7 8.324 28.688 -0.368 1.00 0.00 C ATOM 62 O GLY A 7 7.480 28.679 0.528 1.00 0.00 O ATOM 0 H GLY A 7 8.566 26.115 -0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.222 28.380 0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.197 27.997 -1.138 1.00 0.00 H new ATOM 66 N SER A 8 8.164 29.356 -1.506 1.00 0.00 N ATOM 67 CA SER A 8 6.962 30.137 -1.771 1.00 0.00 C ATOM 68 C SER A 8 6.152 29.519 -2.907 1.00 0.00 C ATOM 69 O SER A 8 6.682 29.241 -3.983 1.00 0.00 O ATOM 70 CB SER A 8 7.332 31.580 -2.121 1.00 0.00 C ATOM 71 OG SER A 8 7.581 32.341 -0.952 1.00 0.00 O ATOM 0 H SER A 8 8.852 29.372 -2.259 1.00 0.00 H new ATOM 0 HA SER A 8 6.351 30.134 -0.868 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.216 31.588 -2.759 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.524 32.038 -2.691 1.00 0.00 H new ATOM 0 HG SER A 8 7.817 33.258 -1.203 1.00 0.00 H new ATOM 77 N SER A 9 4.864 29.305 -2.658 1.00 0.00 N ATOM 78 CA SER A 9 3.980 28.715 -3.656 1.00 0.00 C ATOM 79 C SER A 9 3.950 29.564 -4.924 1.00 0.00 C ATOM 80 O SER A 9 3.772 30.780 -4.866 1.00 0.00 O ATOM 81 CB SER A 9 2.565 28.569 -3.093 1.00 0.00 C ATOM 82 OG SER A 9 1.871 27.508 -3.726 1.00 0.00 O ATOM 0 H SER A 9 4.409 29.532 -1.773 1.00 0.00 H new ATOM 0 HA SER A 9 4.366 27.727 -3.909 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.614 28.386 -2.020 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.017 29.501 -3.233 1.00 0.00 H new ATOM 0 HG SER A 9 0.970 27.434 -3.347 1.00 0.00 H new ATOM 88 N SER A 10 4.126 28.912 -6.069 1.00 0.00 N ATOM 89 CA SER A 10 4.124 29.606 -7.352 1.00 0.00 C ATOM 90 C SER A 10 3.522 28.726 -8.444 1.00 0.00 C ATOM 91 O SER A 10 4.146 27.768 -8.898 1.00 0.00 O ATOM 92 CB SER A 10 5.547 30.015 -7.737 1.00 0.00 C ATOM 93 OG SER A 10 6.409 28.891 -7.773 1.00 0.00 O ATOM 0 H SER A 10 4.272 27.905 -6.135 1.00 0.00 H new ATOM 0 HA SER A 10 3.511 30.502 -7.252 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.538 30.501 -8.712 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.925 30.744 -7.021 1.00 0.00 H new ATOM 0 HG SER A 10 5.935 28.128 -8.165 1.00 0.00 H new ATOM 99 N SER A 11 2.305 29.060 -8.860 1.00 0.00 N ATOM 100 CA SER A 11 1.616 28.300 -9.895 1.00 0.00 C ATOM 101 C SER A 11 0.604 29.174 -10.630 1.00 0.00 C ATOM 102 O SER A 11 -0.183 29.889 -10.007 1.00 0.00 O ATOM 103 CB SER A 11 0.910 27.088 -9.284 1.00 0.00 C ATOM 104 OG SER A 11 0.134 26.406 -10.254 1.00 0.00 O ATOM 0 H SER A 11 1.776 29.852 -8.496 1.00 0.00 H new ATOM 0 HA SER A 11 2.361 27.955 -10.612 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.649 26.408 -8.862 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.269 27.412 -8.464 1.00 0.00 H new ATOM 0 HG SER A 11 -0.305 25.635 -9.838 1.00 0.00 H new ATOM 110 N CYS A 12 0.631 29.112 -11.956 1.00 0.00 N ATOM 111 CA CYS A 12 -0.283 29.899 -12.777 1.00 0.00 C ATOM 112 C CYS A 12 -1.387 29.020 -13.357 1.00 0.00 C ATOM 113 O CYS A 12 -1.200 27.819 -13.554 1.00 0.00 O ATOM 114 CB CYS A 12 0.480 30.592 -13.906 1.00 0.00 C ATOM 115 SG CYS A 12 1.087 29.467 -15.186 1.00 0.00 S ATOM 0 H CYS A 12 1.275 28.525 -12.486 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.742 30.656 -12.141 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.171 31.334 -14.368 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.326 31.132 -13.481 1.00 0.00 H new ATOM 0 HG CYS A 12 0.584 28.283 -14.998 1.00 0.00 H new ATOM 121 N THR A 13 -2.538 29.627 -13.628 1.00 0.00 N ATOM 122 CA THR A 13 -3.673 28.900 -14.183 1.00 0.00 C ATOM 123 C THR A 13 -4.595 29.831 -14.962 1.00 0.00 C ATOM 124 O THR A 13 -4.695 31.019 -14.658 1.00 0.00 O ATOM 125 CB THR A 13 -4.486 28.199 -13.078 1.00 0.00 C ATOM 126 OG1 THR A 13 -5.546 27.432 -13.660 1.00 0.00 O ATOM 127 CG2 THR A 13 -5.064 29.215 -12.104 1.00 0.00 C ATOM 0 H THR A 13 -2.709 30.620 -13.472 1.00 0.00 H new ATOM 0 HA THR A 13 -3.266 28.147 -14.858 1.00 0.00 H new ATOM 0 HB THR A 13 -3.816 27.535 -12.531 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.056 26.989 -12.951 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.634 28.697 -11.333 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.253 29.776 -11.640 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.720 29.901 -12.640 1.00 0.00 H new ATOM 135 N VAL A 14 -5.267 29.283 -15.970 1.00 0.00 N ATOM 136 CA VAL A 14 -6.182 30.065 -16.792 1.00 0.00 C ATOM 137 C VAL A 14 -5.554 31.391 -17.205 1.00 0.00 C ATOM 138 O VAL A 14 -6.247 32.397 -17.365 1.00 0.00 O ATOM 139 CB VAL A 14 -7.504 30.343 -16.052 1.00 0.00 C ATOM 140 CG1 VAL A 14 -8.173 29.040 -15.644 1.00 0.00 C ATOM 141 CG2 VAL A 14 -7.258 31.228 -14.839 1.00 0.00 C ATOM 0 H VAL A 14 -5.195 28.301 -16.236 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.391 29.473 -17.683 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.175 30.871 -16.729 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.105 29.257 -15.123 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.384 28.446 -16.533 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.510 28.482 -14.984 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -8.202 31.415 -14.327 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.569 30.729 -14.158 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.826 32.176 -15.161 1.00 0.00 H new ATOM 151 N THR A 15 -4.236 31.387 -17.378 1.00 0.00 N ATOM 152 CA THR A 15 -3.513 32.590 -17.771 1.00 0.00 C ATOM 153 C THR A 15 -3.857 32.995 -19.200 1.00 0.00 C ATOM 154 O THR A 15 -4.413 34.068 -19.437 1.00 0.00 O ATOM 155 CB THR A 15 -1.990 32.392 -17.658 1.00 0.00 C ATOM 156 OG1 THR A 15 -1.639 32.052 -16.312 1.00 0.00 O ATOM 157 CG2 THR A 15 -1.248 33.652 -18.078 1.00 0.00 C ATOM 0 H THR A 15 -3.647 30.564 -17.252 1.00 0.00 H new ATOM 0 HA THR A 15 -3.820 33.382 -17.088 1.00 0.00 H new ATOM 0 HB THR A 15 -1.701 31.580 -18.325 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.811 32.513 -16.063 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.174 33.488 -17.990 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.495 33.892 -19.112 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.543 34.480 -17.433 1.00 0.00 H new ATOM 165 N THR A 16 -3.523 32.129 -20.152 1.00 0.00 N ATOM 166 CA THR A 16 -3.796 32.397 -21.559 1.00 0.00 C ATOM 167 C THR A 16 -4.015 31.102 -22.332 1.00 0.00 C ATOM 168 O THR A 16 -3.122 30.260 -22.419 1.00 0.00 O ATOM 169 CB THR A 16 -2.645 33.184 -22.214 1.00 0.00 C ATOM 170 OG1 THR A 16 -2.870 33.297 -23.624 1.00 0.00 O ATOM 171 CG2 THR A 16 -1.309 32.502 -21.961 1.00 0.00 C ATOM 0 H THR A 16 -3.063 31.236 -19.974 1.00 0.00 H new ATOM 0 HA THR A 16 -4.705 32.998 -21.596 1.00 0.00 H new ATOM 0 HB THR A 16 -2.616 34.179 -21.770 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.135 33.800 -24.033 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.512 33.076 -22.433 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.128 32.444 -20.888 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.329 31.496 -22.380 1.00 0.00 H new ATOM 179 N GLY A 17 -5.211 30.949 -22.894 1.00 0.00 N ATOM 180 CA GLY A 17 -5.526 29.753 -23.654 1.00 0.00 C ATOM 181 C GLY A 17 -4.871 28.513 -23.081 1.00 0.00 C ATOM 182 O GLY A 17 -4.388 27.656 -23.823 1.00 0.00 O ATOM 0 H GLY A 17 -5.967 31.632 -22.836 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.607 29.613 -23.674 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.203 29.887 -24.686 1.00 0.00 H new ATOM 186 N THR A 18 -4.851 28.414 -21.756 1.00 0.00 N ATOM 187 CA THR A 18 -4.248 27.271 -21.083 1.00 0.00 C ATOM 188 C THR A 18 -5.300 26.444 -20.353 1.00 0.00 C ATOM 189 O THR A 18 -5.838 26.870 -19.329 1.00 0.00 O ATOM 190 CB THR A 18 -3.171 27.716 -20.075 1.00 0.00 C ATOM 191 OG1 THR A 18 -3.720 28.671 -19.161 1.00 0.00 O ATOM 192 CG2 THR A 18 -1.976 28.323 -20.794 1.00 0.00 C ATOM 0 H THR A 18 -5.246 29.113 -21.127 1.00 0.00 H new ATOM 0 HA THR A 18 -3.782 26.660 -21.856 1.00 0.00 H new ATOM 0 HB THR A 18 -2.836 26.838 -19.523 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.584 28.347 -18.829 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.229 28.630 -20.062 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.542 27.584 -21.467 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.299 29.191 -21.368 1.00 0.00 H new ATOM 200 N LEU A 19 -5.589 25.261 -20.883 1.00 0.00 N ATOM 201 CA LEU A 19 -6.578 24.374 -20.281 1.00 0.00 C ATOM 202 C LEU A 19 -5.959 23.022 -19.938 1.00 0.00 C ATOM 203 O LEU A 19 -5.520 22.287 -20.821 1.00 0.00 O ATOM 204 CB LEU A 19 -7.762 24.179 -21.229 1.00 0.00 C ATOM 205 CG LEU A 19 -8.784 25.316 -21.268 1.00 0.00 C ATOM 206 CD1 LEU A 19 -9.515 25.331 -22.601 1.00 0.00 C ATOM 207 CD2 LEU A 19 -9.772 25.186 -20.118 1.00 0.00 C ATOM 0 H LEU A 19 -5.153 24.894 -21.729 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.931 24.836 -19.359 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.374 24.031 -22.237 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.279 23.262 -20.948 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.251 26.261 -21.158 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.238 26.147 -22.610 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.797 25.474 -23.408 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.035 24.383 -22.741 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.491 26.004 -20.162 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.299 24.235 -20.196 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.235 25.226 -19.170 1.00 0.00 H new ATOM 219 N GLY A 20 -5.930 22.700 -18.648 1.00 0.00 N ATOM 220 CA GLY A 20 -5.365 21.437 -18.211 1.00 0.00 C ATOM 221 C GLY A 20 -3.872 21.524 -17.963 1.00 0.00 C ATOM 222 O GLY A 20 -3.072 21.057 -18.773 1.00 0.00 O ATOM 0 H GLY A 20 -6.288 23.292 -17.898 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.864 21.117 -17.296 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.561 20.675 -18.965 1.00 0.00 H new ATOM 226 N PHE A 21 -3.496 22.125 -16.839 1.00 0.00 N ATOM 227 CA PHE A 21 -2.088 22.275 -16.487 1.00 0.00 C ATOM 228 C PHE A 21 -1.538 20.985 -15.885 1.00 0.00 C ATOM 229 O PHE A 21 -0.454 20.972 -15.304 1.00 0.00 O ATOM 230 CB PHE A 21 -1.908 23.430 -15.500 1.00 0.00 C ATOM 231 CG PHE A 21 -2.549 23.182 -14.164 1.00 0.00 C ATOM 232 CD1 PHE A 21 -3.865 23.550 -13.934 1.00 0.00 C ATOM 233 CD2 PHE A 21 -1.836 22.582 -13.139 1.00 0.00 C ATOM 234 CE1 PHE A 21 -4.458 23.324 -12.706 1.00 0.00 C ATOM 235 CE2 PHE A 21 -2.424 22.353 -11.910 1.00 0.00 C ATOM 236 CZ PHE A 21 -3.736 22.725 -11.692 1.00 0.00 C ATOM 0 H PHE A 21 -4.146 22.516 -16.157 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.532 22.495 -17.398 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.843 23.611 -15.355 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.329 24.337 -15.934 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.434 24.019 -14.723 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.809 22.290 -13.302 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.485 23.615 -12.540 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.858 21.883 -11.120 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.196 22.548 -10.731 1.00 0.00 H new ATOM 246 N GLY A 22 -2.296 19.902 -16.028 1.00 0.00 N ATOM 247 CA GLY A 22 -1.869 18.622 -15.493 1.00 0.00 C ATOM 248 C GLY A 22 -0.532 18.177 -16.052 1.00 0.00 C ATOM 249 O GLY A 22 -0.445 17.747 -17.203 1.00 0.00 O ATOM 0 H GLY A 22 -3.198 19.888 -16.505 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.801 18.690 -14.407 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.623 17.868 -15.718 1.00 0.00 H new ATOM 253 N ASP A 23 0.512 18.281 -15.237 1.00 0.00 N ATOM 254 CA ASP A 23 1.852 17.886 -15.657 1.00 0.00 C ATOM 255 C ASP A 23 2.049 16.382 -15.501 1.00 0.00 C ATOM 256 O ASP A 23 2.068 15.860 -14.386 1.00 0.00 O ATOM 257 CB ASP A 23 2.906 18.639 -14.844 1.00 0.00 C ATOM 258 CG ASP A 23 2.955 20.115 -15.184 1.00 0.00 C ATOM 259 OD1 ASP A 23 2.880 20.450 -16.385 1.00 0.00 O ATOM 260 OD2 ASP A 23 3.069 20.936 -14.250 1.00 0.00 O ATOM 0 H ASP A 23 0.457 18.635 -14.282 1.00 0.00 H new ATOM 0 HA ASP A 23 1.967 18.141 -16.711 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.693 18.521 -13.781 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.885 18.195 -15.024 1.00 0.00 H new ATOM 265 N LYS A 24 2.194 15.689 -16.625 1.00 0.00 N ATOM 266 CA LYS A 24 2.390 14.244 -16.615 1.00 0.00 C ATOM 267 C LYS A 24 3.832 13.893 -16.265 1.00 0.00 C ATOM 268 O LYS A 24 4.755 14.656 -16.554 1.00 0.00 O ATOM 269 CB LYS A 24 2.024 13.649 -17.976 1.00 0.00 C ATOM 270 CG LYS A 24 3.033 13.963 -19.068 1.00 0.00 C ATOM 271 CD LYS A 24 4.129 12.912 -19.133 1.00 0.00 C ATOM 272 CE LYS A 24 5.024 13.115 -20.345 1.00 0.00 C ATOM 273 NZ LYS A 24 5.952 14.266 -20.163 1.00 0.00 N ATOM 0 H LYS A 24 2.179 16.105 -17.556 1.00 0.00 H new ATOM 0 HA LYS A 24 1.736 13.819 -15.853 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.932 12.567 -17.878 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.046 14.026 -18.277 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.524 14.019 -20.030 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.476 14.942 -18.885 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.730 12.955 -18.224 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.681 11.919 -19.173 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.601 12.208 -20.526 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.407 13.282 -21.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.545 14.371 -21.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.401 15.136 -20.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.558 14.096 -19.335 1.00 0.00 H new ATOM 287 N PHE A 25 4.021 12.734 -15.643 1.00 0.00 N ATOM 288 CA PHE A 25 5.352 12.282 -15.255 1.00 0.00 C ATOM 289 C PHE A 25 5.488 10.773 -15.437 1.00 0.00 C ATOM 290 O PHE A 25 4.519 10.028 -15.291 1.00 0.00 O ATOM 291 CB PHE A 25 5.637 12.660 -13.800 1.00 0.00 C ATOM 292 CG PHE A 25 5.969 14.112 -13.612 1.00 0.00 C ATOM 293 CD1 PHE A 25 7.245 14.585 -13.874 1.00 0.00 C ATOM 294 CD2 PHE A 25 5.005 15.005 -13.172 1.00 0.00 C ATOM 295 CE1 PHE A 25 7.554 15.921 -13.702 1.00 0.00 C ATOM 296 CE2 PHE A 25 5.308 16.343 -12.999 1.00 0.00 C ATOM 297 CZ PHE A 25 6.584 16.801 -13.263 1.00 0.00 C ATOM 0 H PHE A 25 3.269 12.090 -15.397 1.00 0.00 H new ATOM 0 HA PHE A 25 6.079 12.775 -15.900 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.767 12.413 -13.192 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.466 12.055 -13.432 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.007 13.901 -14.217 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.006 14.652 -12.962 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.552 16.276 -13.910 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.547 17.030 -12.658 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.823 17.845 -13.126 1.00 0.00 H new ATOM 307 N LYS A 26 6.699 10.329 -15.758 1.00 0.00 N ATOM 308 CA LYS A 26 6.965 8.910 -15.959 1.00 0.00 C ATOM 309 C LYS A 26 6.427 8.084 -14.795 1.00 0.00 C ATOM 310 O LYS A 26 5.725 7.094 -14.996 1.00 0.00 O ATOM 311 CB LYS A 26 8.468 8.669 -16.118 1.00 0.00 C ATOM 312 CG LYS A 26 9.061 9.320 -17.355 1.00 0.00 C ATOM 313 CD LYS A 26 8.822 8.477 -18.597 1.00 0.00 C ATOM 314 CE LYS A 26 9.841 7.355 -18.714 1.00 0.00 C ATOM 315 NZ LYS A 26 11.154 7.848 -19.214 1.00 0.00 N ATOM 0 H LYS A 26 7.512 10.932 -15.884 1.00 0.00 H new ATOM 0 HA LYS A 26 6.455 8.596 -16.870 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.984 9.048 -15.236 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.653 7.596 -16.159 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.621 10.308 -17.494 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.132 9.465 -17.213 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.817 8.055 -18.564 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.873 9.110 -19.483 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.977 6.885 -17.740 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.461 6.588 -19.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.811 7.048 -19.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.024 8.304 -20.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.546 8.537 -18.540 1.00 0.00 H new ATOM 329 N ARG A 27 6.760 8.500 -13.577 1.00 0.00 N ATOM 330 CA ARG A 27 6.310 7.799 -12.381 1.00 0.00 C ATOM 331 C ARG A 27 5.015 8.405 -11.850 1.00 0.00 C ATOM 332 O ARG A 27 4.737 9.591 -12.029 1.00 0.00 O ATOM 333 CB ARG A 27 7.390 7.848 -11.298 1.00 0.00 C ATOM 334 CG ARG A 27 7.689 9.252 -10.799 1.00 0.00 C ATOM 335 CD ARG A 27 8.952 9.286 -9.953 1.00 0.00 C ATOM 336 NE ARG A 27 8.749 8.676 -8.642 1.00 0.00 N ATOM 337 CZ ARG A 27 9.734 8.180 -7.901 1.00 0.00 C ATOM 338 NH1 ARG A 27 10.984 8.222 -8.341 1.00 0.00 N ATOM 339 NH2 ARG A 27 9.469 7.642 -6.718 1.00 0.00 N ATOM 0 H ARG A 27 7.340 9.319 -13.393 1.00 0.00 H new ATOM 0 HA ARG A 27 6.121 6.760 -12.650 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.076 7.231 -10.456 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.307 7.408 -11.691 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.801 9.925 -11.649 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.847 9.618 -10.212 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.753 8.763 -10.476 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.276 10.319 -9.826 1.00 0.00 H new ATOM 0 HE ARG A 27 7.799 8.628 -8.275 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.191 8.636 -9.250 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.739 7.841 -7.770 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.508 7.609 -6.376 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.226 7.261 -6.150 1.00 0.00 H new ATOM 353 N PRO A 28 4.203 7.574 -11.180 1.00 0.00 N ATOM 354 CA PRO A 28 2.923 8.007 -10.610 1.00 0.00 C ATOM 355 C PRO A 28 3.106 8.943 -9.420 1.00 0.00 C ATOM 356 O PRO A 28 4.199 9.048 -8.863 1.00 0.00 O ATOM 357 CB PRO A 28 2.273 6.695 -10.163 1.00 0.00 C ATOM 358 CG PRO A 28 3.414 5.767 -9.928 1.00 0.00 C ATOM 359 CD PRO A 28 4.470 6.148 -10.929 1.00 0.00 C ATOM 0 HA PRO A 28 2.327 8.572 -11.327 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.683 6.834 -9.257 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.598 6.307 -10.926 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.790 5.861 -8.909 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.107 4.730 -10.060 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.474 5.991 -10.534 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.390 5.557 -11.842 1.00 0.00 H new ATOM 367 N ILE A 29 2.030 9.621 -9.037 1.00 0.00 N ATOM 368 CA ILE A 29 2.073 10.548 -7.912 1.00 0.00 C ATOM 369 C ILE A 29 2.663 9.882 -6.673 1.00 0.00 C ATOM 370 O ILE A 29 3.547 10.435 -6.020 1.00 0.00 O ATOM 371 CB ILE A 29 0.670 11.086 -7.573 1.00 0.00 C ATOM 372 CG1 ILE A 29 0.056 11.777 -8.792 1.00 0.00 C ATOM 373 CG2 ILE A 29 0.742 12.046 -6.394 1.00 0.00 C ATOM 374 CD1 ILE A 29 -1.456 11.734 -8.814 1.00 0.00 C ATOM 0 H ILE A 29 1.118 9.546 -9.488 1.00 0.00 H new ATOM 0 HA ILE A 29 2.710 11.380 -8.212 1.00 0.00 H new ATOM 0 HB ILE A 29 0.032 10.247 -7.296 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.382 12.817 -8.812 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.438 11.305 -9.697 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.257 12.418 -6.166 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.142 11.525 -5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.392 12.884 -6.646 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.822 12.243 -9.706 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.790 10.697 -8.825 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.847 12.232 -7.927 1.00 0.00 H new ATOM 386 N GLY A 30 2.168 8.689 -6.356 1.00 0.00 N ATOM 387 CA GLY A 30 2.659 7.967 -5.198 1.00 0.00 C ATOM 388 C GLY A 30 2.041 6.588 -5.070 1.00 0.00 C ATOM 389 O GLY A 30 1.672 6.165 -3.975 1.00 0.00 O ATOM 0 H GLY A 30 1.436 8.210 -6.881 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.743 7.871 -5.266 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.446 8.543 -4.297 1.00 0.00 H new ATOM 393 N SER A 31 1.927 5.886 -6.193 1.00 0.00 N ATOM 394 CA SER A 31 1.344 4.549 -6.202 1.00 0.00 C ATOM 395 C SER A 31 2.377 3.503 -5.795 1.00 0.00 C ATOM 396 O SER A 31 3.547 3.592 -6.169 1.00 0.00 O ATOM 397 CB SER A 31 0.790 4.222 -7.590 1.00 0.00 C ATOM 398 OG SER A 31 -0.522 4.734 -7.749 1.00 0.00 O ATOM 0 H SER A 31 2.230 6.220 -7.108 1.00 0.00 H new ATOM 0 HA SER A 31 0.529 4.529 -5.479 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.443 4.643 -8.354 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.783 3.142 -7.737 1.00 0.00 H new ATOM 0 HG SER A 31 -1.109 4.346 -7.067 1.00 0.00 H new ATOM 404 N TRP A 32 1.937 2.514 -5.027 1.00 0.00 N ATOM 405 CA TRP A 32 2.823 1.450 -4.568 1.00 0.00 C ATOM 406 C TRP A 32 2.423 0.109 -5.175 1.00 0.00 C ATOM 407 O TRP A 32 1.338 -0.405 -4.906 1.00 0.00 O ATOM 408 CB TRP A 32 2.798 1.360 -3.042 1.00 0.00 C ATOM 409 CG TRP A 32 1.414 1.251 -2.476 1.00 0.00 C ATOM 410 CD1 TRP A 32 0.625 2.277 -2.038 1.00 0.00 C ATOM 411 CD2 TRP A 32 0.658 0.051 -2.284 1.00 0.00 C ATOM 412 NE1 TRP A 32 -0.576 1.785 -1.587 1.00 0.00 N ATOM 413 CE2 TRP A 32 -0.581 0.423 -1.727 1.00 0.00 C ATOM 414 CE3 TRP A 32 0.907 -1.302 -2.531 1.00 0.00 C ATOM 415 CZ2 TRP A 32 -1.566 -0.510 -1.413 1.00 0.00 C ATOM 416 CZ3 TRP A 32 -0.071 -2.227 -2.218 1.00 0.00 C ATOM 417 CH2 TRP A 32 -1.296 -1.828 -1.665 1.00 0.00 C ATOM 0 H TRP A 32 0.972 2.426 -4.709 1.00 0.00 H new ATOM 0 HA TRP A 32 3.835 1.688 -4.894 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.381 0.495 -2.727 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.285 2.242 -2.625 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.904 3.320 -2.045 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.341 2.344 -1.209 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.847 -1.619 -2.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.510 -0.204 -0.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.112 -3.275 -2.403 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -2.041 -2.575 -1.433 1.00 0.00 H new ATOM 428 N GLU A 33 3.307 -0.452 -5.995 1.00 0.00 N ATOM 429 CA GLU A 33 3.045 -1.733 -6.639 1.00 0.00 C ATOM 430 C GLU A 33 2.861 -2.837 -5.602 1.00 0.00 C ATOM 431 O GLU A 33 3.738 -3.076 -4.771 1.00 0.00 O ATOM 432 CB GLU A 33 4.189 -2.095 -7.588 1.00 0.00 C ATOM 433 CG GLU A 33 3.978 -3.409 -8.322 1.00 0.00 C ATOM 434 CD GLU A 33 5.157 -3.783 -9.200 1.00 0.00 C ATOM 435 OE1 GLU A 33 5.848 -2.863 -9.686 1.00 0.00 O ATOM 436 OE2 GLU A 33 5.388 -4.993 -9.400 1.00 0.00 O ATOM 0 H GLU A 33 4.210 -0.039 -6.228 1.00 0.00 H new ATOM 0 HA GLU A 33 2.122 -1.640 -7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.310 -1.296 -8.319 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.117 -2.151 -7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.805 -4.203 -7.595 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.080 -3.338 -8.936 1.00 0.00 H new ATOM 443 N CYS A 34 1.714 -3.506 -5.655 1.00 0.00 N ATOM 444 CA CYS A 34 1.413 -4.584 -4.721 1.00 0.00 C ATOM 445 C CYS A 34 2.355 -5.766 -4.932 1.00 0.00 C ATOM 446 O CYS A 34 3.036 -5.856 -5.954 1.00 0.00 O ATOM 447 CB CYS A 34 -0.039 -5.038 -4.885 1.00 0.00 C ATOM 448 SG CYS A 34 -0.617 -6.166 -3.577 1.00 0.00 S ATOM 0 H CYS A 34 0.977 -3.320 -6.336 1.00 0.00 H new ATOM 0 HA CYS A 34 1.556 -4.205 -3.709 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.683 -4.159 -4.903 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.147 -5.532 -5.850 1.00 0.00 H new ATOM 453 N SER A 35 2.387 -6.670 -3.959 1.00 0.00 N ATOM 454 CA SER A 35 3.247 -7.846 -4.036 1.00 0.00 C ATOM 455 C SER A 35 2.425 -9.104 -4.297 1.00 0.00 C ATOM 456 O SER A 35 2.866 -10.012 -5.002 1.00 0.00 O ATOM 457 CB SER A 35 4.046 -8.004 -2.741 1.00 0.00 C ATOM 458 OG SER A 35 5.006 -6.971 -2.604 1.00 0.00 O ATOM 0 H SER A 35 1.828 -6.611 -3.108 1.00 0.00 H new ATOM 0 HA SER A 35 3.939 -7.707 -4.867 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.368 -7.990 -1.888 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.546 -8.972 -2.735 1.00 0.00 H new ATOM 0 HG SER A 35 5.502 -7.094 -1.768 1.00 0.00 H new ATOM 464 N VAL A 36 1.227 -9.151 -3.723 1.00 0.00 N ATOM 465 CA VAL A 36 0.342 -10.296 -3.894 1.00 0.00 C ATOM 466 C VAL A 36 -0.228 -10.345 -5.307 1.00 0.00 C ATOM 467 O VAL A 36 0.012 -11.295 -6.053 1.00 0.00 O ATOM 468 CB VAL A 36 -0.821 -10.262 -2.884 1.00 0.00 C ATOM 469 CG1 VAL A 36 -1.950 -11.176 -3.338 1.00 0.00 C ATOM 470 CG2 VAL A 36 -0.334 -10.652 -1.497 1.00 0.00 C ATOM 0 H VAL A 36 0.847 -8.409 -3.135 1.00 0.00 H new ATOM 0 HA VAL A 36 0.942 -11.189 -3.717 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.207 -9.244 -2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.762 -11.139 -2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.317 -10.846 -4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.581 -12.198 -3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.169 -10.622 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.079 -11.660 -1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.437 -9.953 -1.172 1.00 0.00 H new ATOM 480 N CYS A 37 -0.984 -9.314 -5.670 1.00 0.00 N ATOM 481 CA CYS A 37 -1.589 -9.238 -6.995 1.00 0.00 C ATOM 482 C CYS A 37 -0.808 -8.285 -7.895 1.00 0.00 C ATOM 483 O CYS A 37 -0.878 -8.377 -9.121 1.00 0.00 O ATOM 484 CB CYS A 37 -3.044 -8.779 -6.888 1.00 0.00 C ATOM 485 SG CYS A 37 -3.244 -7.085 -6.248 1.00 0.00 S ATOM 0 H CYS A 37 -1.192 -8.520 -5.065 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.561 -10.233 -7.438 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.507 -8.841 -7.873 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.584 -9.468 -6.238 1.00 0.00 H new ATOM 490 N CYS A 38 -0.066 -7.373 -7.279 1.00 0.00 N ATOM 491 CA CYS A 38 0.728 -6.402 -8.024 1.00 0.00 C ATOM 492 C CYS A 38 -0.171 -5.449 -8.805 1.00 0.00 C ATOM 493 O CYS A 38 0.063 -5.186 -9.985 1.00 0.00 O ATOM 494 CB CYS A 38 1.683 -7.120 -8.979 1.00 0.00 C ATOM 495 SG CYS A 38 2.763 -8.327 -8.175 1.00 0.00 S ATOM 0 H CYS A 38 0.003 -7.285 -6.265 1.00 0.00 H new ATOM 0 HA CYS A 38 1.310 -5.819 -7.309 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.099 -7.626 -9.747 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.300 -6.377 -9.485 1.00 0.00 H new ATOM 0 HG CYS A 38 3.269 -7.806 -7.097 1.00 0.00 H new ATOM 501 N VAL A 39 -1.200 -4.936 -8.139 1.00 0.00 N ATOM 502 CA VAL A 39 -2.135 -4.013 -8.771 1.00 0.00 C ATOM 503 C VAL A 39 -2.033 -2.622 -8.156 1.00 0.00 C ATOM 504 O VAL A 39 -1.818 -2.478 -6.952 1.00 0.00 O ATOM 505 CB VAL A 39 -3.587 -4.512 -8.646 1.00 0.00 C ATOM 506 CG1 VAL A 39 -4.562 -3.442 -9.114 1.00 0.00 C ATOM 507 CG2 VAL A 39 -3.777 -5.799 -9.435 1.00 0.00 C ATOM 0 H VAL A 39 -1.407 -5.144 -7.162 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.866 -3.962 -9.826 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.792 -4.722 -7.596 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.583 -3.813 -9.018 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.442 -2.548 -8.502 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.361 -3.198 -10.157 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.808 -6.138 -9.336 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.554 -5.617 -10.486 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.105 -6.565 -9.049 1.00 0.00 H new ATOM 517 N SER A 40 -2.190 -1.599 -8.990 1.00 0.00 N ATOM 518 CA SER A 40 -2.113 -0.218 -8.530 1.00 0.00 C ATOM 519 C SER A 40 -3.095 0.031 -7.389 1.00 0.00 C ATOM 520 O SER A 40 -4.145 -0.605 -7.311 1.00 0.00 O ATOM 521 CB SER A 40 -2.400 0.744 -9.684 1.00 0.00 C ATOM 522 OG SER A 40 -3.758 0.670 -10.083 1.00 0.00 O ATOM 0 H SER A 40 -2.371 -1.701 -9.989 1.00 0.00 H new ATOM 0 HA SER A 40 -1.103 -0.041 -8.162 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.162 1.763 -9.380 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.755 0.505 -10.530 1.00 0.00 H new ATOM 0 HG SER A 40 -3.917 1.295 -10.821 1.00 0.00 H new ATOM 528 N ASN A 41 -2.744 0.960 -6.506 1.00 0.00 N ATOM 529 CA ASN A 41 -3.593 1.293 -5.368 1.00 0.00 C ATOM 530 C ASN A 41 -3.344 2.725 -4.904 1.00 0.00 C ATOM 531 O ASN A 41 -2.487 3.423 -5.445 1.00 0.00 O ATOM 532 CB ASN A 41 -3.341 0.320 -4.215 1.00 0.00 C ATOM 533 CG ASN A 41 -3.705 -1.108 -4.573 1.00 0.00 C ATOM 534 OD1 ASN A 41 -4.861 -1.410 -4.868 1.00 0.00 O ATOM 535 ND2 ASN A 41 -2.716 -1.995 -4.549 1.00 0.00 N ATOM 0 H ASN A 41 -1.877 1.496 -6.557 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.632 1.208 -5.685 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.290 0.363 -3.930 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.920 0.633 -3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.901 -2.971 -4.781 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.772 -1.700 -4.299 1.00 0.00 H new ATOM 542 N ASN A 42 -4.098 3.155 -3.898 1.00 0.00 N ATOM 543 CA ASN A 42 -3.959 4.503 -3.360 1.00 0.00 C ATOM 544 C ASN A 42 -2.848 4.561 -2.317 1.00 0.00 C ATOM 545 O ASN A 42 -2.768 3.709 -1.432 1.00 0.00 O ATOM 546 CB ASN A 42 -5.280 4.966 -2.741 1.00 0.00 C ATOM 547 CG ASN A 42 -6.388 5.089 -3.769 1.00 0.00 C ATOM 548 OD1 ASN A 42 -6.438 4.332 -4.738 1.00 0.00 O ATOM 549 ND2 ASN A 42 -7.284 6.047 -3.560 1.00 0.00 N ATOM 0 H ASN A 42 -4.812 2.589 -3.439 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.697 5.170 -4.181 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.583 4.260 -1.967 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.132 5.930 -2.253 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.053 6.178 -4.217 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.203 6.652 -2.742 1.00 0.00 H new ATOM 556 N ALA A 43 -1.993 5.572 -2.427 1.00 0.00 N ATOM 557 CA ALA A 43 -0.887 5.743 -1.492 1.00 0.00 C ATOM 558 C ALA A 43 -1.381 5.724 -0.049 1.00 0.00 C ATOM 559 O ALA A 43 -0.887 4.956 0.775 1.00 0.00 O ATOM 560 CB ALA A 43 -0.147 7.040 -1.782 1.00 0.00 C ATOM 0 H ALA A 43 -2.045 6.285 -3.154 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.199 4.908 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.676 7.155 -1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.247 7.015 -2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.833 7.881 -1.679 1.00 0.00 H new ATOM 566 N GLU A 44 -2.357 6.576 0.249 1.00 0.00 N ATOM 567 CA GLU A 44 -2.916 6.657 1.593 1.00 0.00 C ATOM 568 C GLU A 44 -3.360 5.281 2.081 1.00 0.00 C ATOM 569 O GLU A 44 -3.159 4.928 3.243 1.00 0.00 O ATOM 570 CB GLU A 44 -4.099 7.627 1.621 1.00 0.00 C ATOM 571 CG GLU A 44 -5.263 7.192 0.746 1.00 0.00 C ATOM 572 CD GLU A 44 -6.518 8.004 1.000 1.00 0.00 C ATOM 573 OE1 GLU A 44 -6.455 9.246 0.885 1.00 0.00 O ATOM 574 OE2 GLU A 44 -7.563 7.397 1.313 1.00 0.00 O ATOM 0 H GLU A 44 -2.777 7.219 -0.422 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.138 7.027 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.447 7.733 2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.759 8.611 1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.980 7.286 -0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.474 6.138 0.926 1.00 0.00 H new ATOM 581 N ASP A 45 -3.967 4.510 1.186 1.00 0.00 N ATOM 582 CA ASP A 45 -4.441 3.173 1.524 1.00 0.00 C ATOM 583 C ASP A 45 -3.290 2.293 2.003 1.00 0.00 C ATOM 584 O ASP A 45 -2.400 1.942 1.229 1.00 0.00 O ATOM 585 CB ASP A 45 -5.122 2.529 0.315 1.00 0.00 C ATOM 586 CG ASP A 45 -6.559 2.983 0.150 1.00 0.00 C ATOM 587 OD1 ASP A 45 -6.806 4.205 0.225 1.00 0.00 O ATOM 588 OD2 ASP A 45 -7.436 2.117 -0.053 1.00 0.00 O ATOM 0 H ASP A 45 -4.143 4.788 0.220 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.166 3.265 2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.561 2.773 -0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.097 1.445 0.422 1.00 0.00 H new ATOM 593 N ASN A 46 -3.313 1.943 3.285 1.00 0.00 N ATOM 594 CA ASN A 46 -2.271 1.106 3.867 1.00 0.00 C ATOM 595 C ASN A 46 -2.514 -0.367 3.550 1.00 0.00 C ATOM 596 O ASN A 46 -1.904 -1.252 4.150 1.00 0.00 O ATOM 597 CB ASN A 46 -2.211 1.310 5.383 1.00 0.00 C ATOM 598 CG ASN A 46 -3.577 1.204 6.034 1.00 0.00 C ATOM 599 OD1 ASN A 46 -4.472 2.003 5.759 1.00 0.00 O ATOM 600 ND2 ASN A 46 -3.742 0.213 6.903 1.00 0.00 N ATOM 0 H ASN A 46 -4.042 2.226 3.940 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.317 1.400 3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.544 0.567 5.821 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -1.783 2.289 5.599 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.639 0.091 7.373 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.972 -0.426 7.100 1.00 0.00 H new ATOM 607 N LYS A 47 -3.410 -0.622 2.603 1.00 0.00 N ATOM 608 CA LYS A 47 -3.734 -1.986 2.203 1.00 0.00 C ATOM 609 C LYS A 47 -4.181 -2.034 0.745 1.00 0.00 C ATOM 610 O LYS A 47 -4.417 -0.998 0.123 1.00 0.00 O ATOM 611 CB LYS A 47 -4.833 -2.555 3.103 1.00 0.00 C ATOM 612 CG LYS A 47 -4.312 -3.130 4.409 1.00 0.00 C ATOM 613 CD LYS A 47 -5.325 -4.063 5.051 1.00 0.00 C ATOM 614 CE LYS A 47 -4.931 -4.417 6.477 1.00 0.00 C ATOM 615 NZ LYS A 47 -3.928 -5.517 6.519 1.00 0.00 N ATOM 0 H LYS A 47 -3.925 0.099 2.098 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.835 -2.593 2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.554 -1.768 3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.368 -3.334 2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.384 -3.671 4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.077 -2.318 5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.308 -3.591 5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.409 -4.974 4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.523 -3.535 6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.819 -4.713 7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.358 -6.363 6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.614 -5.738 5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.110 -5.220 7.089 1.00 0.00 H new ATOM 629 N CYS A 48 -4.295 -3.243 0.206 1.00 0.00 N ATOM 630 CA CYS A 48 -4.715 -3.427 -1.178 1.00 0.00 C ATOM 631 C CYS A 48 -6.230 -3.579 -1.272 1.00 0.00 C ATOM 632 O CYS A 48 -6.911 -3.759 -0.262 1.00 0.00 O ATOM 633 CB CYS A 48 -4.030 -4.655 -1.781 1.00 0.00 C ATOM 634 SG CYS A 48 -4.132 -4.746 -3.598 1.00 0.00 S ATOM 0 H CYS A 48 -4.102 -4.110 0.707 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.421 -2.541 -1.741 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.981 -4.654 -1.486 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.479 -5.553 -1.357 1.00 0.00 H new ATOM 639 N VAL A 49 -6.752 -3.505 -2.492 1.00 0.00 N ATOM 640 CA VAL A 49 -8.187 -3.636 -2.719 1.00 0.00 C ATOM 641 C VAL A 49 -8.500 -4.870 -3.557 1.00 0.00 C ATOM 642 O VAL A 49 -9.556 -5.484 -3.405 1.00 0.00 O ATOM 643 CB VAL A 49 -8.759 -2.391 -3.422 1.00 0.00 C ATOM 644 CG1 VAL A 49 -8.500 -1.142 -2.594 1.00 0.00 C ATOM 645 CG2 VAL A 49 -8.168 -2.249 -4.817 1.00 0.00 C ATOM 0 H VAL A 49 -6.203 -3.355 -3.339 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.655 -3.738 -1.740 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.838 -2.514 -3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.912 -0.273 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.976 -1.247 -1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.426 -1.010 -2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.583 -1.364 -5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.085 -2.149 -4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.412 -3.132 -5.407 1.00 0.00 H new ATOM 655 N SER A 50 -7.575 -5.228 -4.442 1.00 0.00 N ATOM 656 CA SER A 50 -7.754 -6.388 -5.308 1.00 0.00 C ATOM 657 C SER A 50 -7.584 -7.684 -4.522 1.00 0.00 C ATOM 658 O SER A 50 -8.357 -8.629 -4.684 1.00 0.00 O ATOM 659 CB SER A 50 -6.755 -6.345 -6.466 1.00 0.00 C ATOM 660 OG SER A 50 -6.987 -7.404 -7.378 1.00 0.00 O ATOM 0 H SER A 50 -6.694 -4.732 -4.578 1.00 0.00 H new ATOM 0 HA SER A 50 -8.767 -6.358 -5.710 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.835 -5.390 -6.985 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.739 -6.412 -6.077 1.00 0.00 H new ATOM 0 HG SER A 50 -6.337 -7.354 -8.110 1.00 0.00 H new ATOM 666 N CYS A 51 -6.566 -7.722 -3.668 1.00 0.00 N ATOM 667 CA CYS A 51 -6.292 -8.901 -2.856 1.00 0.00 C ATOM 668 C CYS A 51 -6.497 -8.600 -1.374 1.00 0.00 C ATOM 669 O CYS A 51 -6.723 -9.506 -0.572 1.00 0.00 O ATOM 670 CB CYS A 51 -4.862 -9.390 -3.095 1.00 0.00 C ATOM 671 SG CYS A 51 -3.576 -8.206 -2.583 1.00 0.00 S ATOM 0 H CYS A 51 -5.917 -6.949 -3.521 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.991 -9.684 -3.150 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.715 -10.326 -2.556 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.737 -9.610 -4.155 1.00 0.00 H new ATOM 676 N MET A 52 -6.415 -7.322 -1.018 1.00 0.00 N ATOM 677 CA MET A 52 -6.593 -6.902 0.367 1.00 0.00 C ATOM 678 C MET A 52 -5.441 -7.394 1.236 1.00 0.00 C ATOM 679 O MET A 52 -5.646 -7.816 2.374 1.00 0.00 O ATOM 680 CB MET A 52 -7.921 -7.427 0.915 1.00 0.00 C ATOM 681 CG MET A 52 -9.114 -7.109 0.027 1.00 0.00 C ATOM 682 SD MET A 52 -10.536 -8.161 0.371 1.00 0.00 S ATOM 683 CE MET A 52 -10.488 -9.266 -1.038 1.00 0.00 C ATOM 0 H MET A 52 -6.227 -6.560 -1.669 1.00 0.00 H new ATOM 0 HA MET A 52 -6.604 -5.812 0.392 1.00 0.00 H new ATOM 0 HB2 MET A 52 -7.851 -8.507 1.042 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.091 -7.001 1.904 1.00 0.00 H new ATOM 0 HG2 MET A 52 -9.397 -6.066 0.166 1.00 0.00 H new ATOM 0 HG3 MET A 52 -8.825 -7.225 -1.018 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.309 -9.979 -0.969 1.00 0.00 H new ATOM 0 HE2 MET A 52 -10.586 -8.688 -1.957 1.00 0.00 H new ATOM 0 HE3 MET A 52 -9.540 -9.804 -1.046 1.00 0.00 H new ATOM 693 N SER A 53 -4.229 -7.337 0.693 1.00 0.00 N ATOM 694 CA SER A 53 -3.044 -7.781 1.419 1.00 0.00 C ATOM 695 C SER A 53 -2.291 -6.592 2.009 1.00 0.00 C ATOM 696 O SER A 53 -2.410 -5.467 1.525 1.00 0.00 O ATOM 697 CB SER A 53 -2.121 -8.575 0.493 1.00 0.00 C ATOM 698 OG SER A 53 -2.602 -9.895 0.302 1.00 0.00 O ATOM 0 H SER A 53 -4.042 -6.988 -0.247 1.00 0.00 H new ATOM 0 HA SER A 53 -3.369 -8.425 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.044 -8.070 -0.470 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.117 -8.608 0.916 1.00 0.00 H new ATOM 0 HG SER A 53 -3.018 -9.967 -0.582 1.00 0.00 H new ATOM 704 N GLU A 54 -1.517 -6.852 3.057 1.00 0.00 N ATOM 705 CA GLU A 54 -0.745 -5.804 3.714 1.00 0.00 C ATOM 706 C GLU A 54 0.131 -5.062 2.709 1.00 0.00 C ATOM 707 O GLU A 54 0.709 -5.668 1.806 1.00 0.00 O ATOM 708 CB GLU A 54 0.125 -6.399 4.824 1.00 0.00 C ATOM 709 CG GLU A 54 -0.674 -6.951 5.993 1.00 0.00 C ATOM 710 CD GLU A 54 0.121 -6.972 7.284 1.00 0.00 C ATOM 711 OE1 GLU A 54 1.218 -7.568 7.295 1.00 0.00 O ATOM 712 OE2 GLU A 54 -0.354 -6.393 8.283 1.00 0.00 O ATOM 0 H GLU A 54 -1.408 -7.779 3.469 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.446 -5.094 4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.739 -7.197 4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.807 -5.632 5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.571 -6.347 6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.004 -7.963 5.757 1.00 0.00 H new ATOM 719 N LYS A 55 0.225 -3.747 2.872 1.00 0.00 N ATOM 720 CA LYS A 55 1.030 -2.920 1.980 1.00 0.00 C ATOM 721 C LYS A 55 2.511 -3.028 2.329 1.00 0.00 C ATOM 722 O LYS A 55 2.902 -3.017 3.496 1.00 0.00 O ATOM 723 CB LYS A 55 0.582 -1.460 2.061 1.00 0.00 C ATOM 724 CG LYS A 55 1.557 -0.487 1.422 1.00 0.00 C ATOM 725 CD LYS A 55 1.195 0.955 1.736 1.00 0.00 C ATOM 726 CE LYS A 55 2.411 1.865 1.657 1.00 0.00 C ATOM 727 NZ LYS A 55 2.945 1.957 0.270 1.00 0.00 N ATOM 0 H LYS A 55 -0.247 -3.230 3.614 1.00 0.00 H new ATOM 0 HA LYS A 55 0.886 -3.281 0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.389 -1.359 1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.445 -1.189 3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.566 -0.695 1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.564 -0.634 0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.434 1.301 1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.760 1.013 2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.143 2.861 2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.189 1.490 2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.416 2.875 0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.630 1.191 0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.163 1.870 -0.410 1.00 0.00 H new ATOM 741 N PRO A 56 3.357 -3.135 1.293 1.00 0.00 N ATOM 742 CA PRO A 56 4.809 -3.245 1.465 1.00 0.00 C ATOM 743 C PRO A 56 5.433 -1.947 1.968 1.00 0.00 C ATOM 744 O PRO A 56 4.739 -0.952 2.174 1.00 0.00 O ATOM 745 CB PRO A 56 5.310 -3.568 0.055 1.00 0.00 C ATOM 746 CG PRO A 56 4.269 -3.009 -0.853 1.00 0.00 C ATOM 747 CD PRO A 56 2.962 -3.156 -0.125 1.00 0.00 C ATOM 0 HA PRO A 56 5.076 -3.996 2.209 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.284 -3.115 -0.133 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.425 -4.642 -0.088 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.472 -1.963 -1.082 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.250 -3.546 -1.802 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.276 -2.343 -0.363 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.458 -4.086 -0.388 1.00 0.00 H new ATOM 755 N GLY A 57 6.748 -1.966 2.164 1.00 0.00 N ATOM 756 CA GLY A 57 7.443 -0.784 2.641 1.00 0.00 C ATOM 757 C GLY A 57 7.421 -0.670 4.152 1.00 0.00 C ATOM 758 O GLY A 57 6.643 0.122 4.682 1.00 0.00 O ATOM 0 H GLY A 57 7.344 -2.778 2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.477 -0.810 2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.984 0.104 2.206 1.00 0.00 H new TER 762 GLY A 57 HETATM 763 ZN ZN A 201 -2.860 -6.666 -4.074 1.00 0.00 ZN