USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=21 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 5:sc= 0.526 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 29:sc= 0.791 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0515 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 41:sc= 0.52 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -153:sc= -0.116 (180deg=-0.976) USER MOD Single : A 26 LYS NZ :NH3+ -155:sc= -0.102 (180deg=-0.566) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0361 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -42:sc= 0.266 USER MOD Single : A 40 SER OG : rot 180:sc= -0.737 USER MOD Single : A 41 ASN : amide:sc= -4.91! C(o=-4.9!,f=-6.4!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -97:sc= 1.27 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.674 0.932 16.092 1.00 0.00 N ATOM 2 CA GLY A 1 -5.573 -0.130 17.076 1.00 0.00 C ATOM 3 C GLY A 1 -4.242 -0.853 17.015 1.00 0.00 C ATOM 4 O GLY A 1 -4.194 -2.060 16.776 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.602 1.395 16.175 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.922 1.631 16.257 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.571 0.532 15.138 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.710 0.289 18.073 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.379 -0.846 16.917 1.00 0.00 H new ATOM 8 N SER A 2 -3.159 -0.114 17.229 1.00 0.00 N ATOM 9 CA SER A 2 -1.820 -0.691 17.191 1.00 0.00 C ATOM 10 C SER A 2 -1.613 -1.658 18.353 1.00 0.00 C ATOM 11 O SER A 2 -2.164 -1.471 19.437 1.00 0.00 O ATOM 12 CB SER A 2 -0.763 0.414 17.238 1.00 0.00 C ATOM 13 OG SER A 2 0.545 -0.128 17.180 1.00 0.00 O ATOM 0 H SER A 2 -3.182 0.886 17.431 1.00 0.00 H new ATOM 0 HA SER A 2 -1.716 -1.243 16.257 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.913 1.100 16.405 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.879 0.994 18.154 1.00 0.00 H new ATOM 0 HG SER A 2 1.202 0.599 17.210 1.00 0.00 H new ATOM 19 N SER A 3 -0.813 -2.693 18.117 1.00 0.00 N ATOM 20 CA SER A 3 -0.535 -3.693 19.142 1.00 0.00 C ATOM 21 C SER A 3 0.881 -4.243 18.994 1.00 0.00 C ATOM 22 O SER A 3 1.191 -4.938 18.027 1.00 0.00 O ATOM 23 CB SER A 3 -1.549 -4.835 19.058 1.00 0.00 C ATOM 24 OG SER A 3 -2.837 -4.404 19.464 1.00 0.00 O ATOM 0 H SER A 3 -0.346 -2.861 17.226 1.00 0.00 H new ATOM 0 HA SER A 3 -0.620 -3.212 20.117 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.593 -5.212 18.036 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.223 -5.662 19.689 1.00 0.00 H new ATOM 0 HG SER A 3 -3.467 -5.152 19.400 1.00 0.00 H new ATOM 30 N GLY A 4 1.736 -3.926 19.961 1.00 0.00 N ATOM 31 CA GLY A 4 3.109 -4.395 19.920 1.00 0.00 C ATOM 32 C GLY A 4 3.839 -3.947 18.670 1.00 0.00 C ATOM 33 O GLY A 4 3.703 -4.559 17.611 1.00 0.00 O ATOM 0 H GLY A 4 1.503 -3.353 20.772 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.641 -4.029 20.798 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.119 -5.484 19.972 1.00 0.00 H new ATOM 37 N SER A 5 4.614 -2.874 18.792 1.00 0.00 N ATOM 38 CA SER A 5 5.364 -2.340 17.660 1.00 0.00 C ATOM 39 C SER A 5 6.850 -2.244 17.991 1.00 0.00 C ATOM 40 O SER A 5 7.231 -2.107 19.153 1.00 0.00 O ATOM 41 CB SER A 5 4.826 -0.962 17.269 1.00 0.00 C ATOM 42 OG SER A 5 4.965 -0.039 18.336 1.00 0.00 O ATOM 0 H SER A 5 4.739 -2.357 19.663 1.00 0.00 H new ATOM 0 HA SER A 5 5.240 -3.022 16.819 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.361 -0.594 16.394 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.776 -1.044 16.989 1.00 0.00 H new ATOM 0 HG SER A 5 4.616 0.834 18.061 1.00 0.00 H new ATOM 48 N SER A 6 7.685 -2.315 16.959 1.00 0.00 N ATOM 49 CA SER A 6 9.130 -2.240 17.139 1.00 0.00 C ATOM 50 C SER A 6 9.813 -1.771 15.857 1.00 0.00 C ATOM 51 O SER A 6 9.647 -2.372 14.797 1.00 0.00 O ATOM 52 CB SER A 6 9.685 -3.603 17.556 1.00 0.00 C ATOM 53 OG SER A 6 9.229 -3.965 18.848 1.00 0.00 O ATOM 0 H SER A 6 7.386 -2.424 15.990 1.00 0.00 H new ATOM 0 HA SER A 6 9.336 -1.515 17.927 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.380 -4.360 16.834 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.775 -3.574 17.546 1.00 0.00 H new ATOM 0 HG SER A 6 8.595 -3.292 19.172 1.00 0.00 H new ATOM 59 N GLY A 7 10.583 -0.693 15.965 1.00 0.00 N ATOM 60 CA GLY A 7 11.280 -0.160 14.809 1.00 0.00 C ATOM 61 C GLY A 7 12.603 -0.856 14.558 1.00 0.00 C ATOM 62 O GLY A 7 13.514 -0.787 15.382 1.00 0.00 O ATOM 0 H GLY A 7 10.737 -0.179 16.833 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.647 -0.262 13.928 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.456 0.906 14.954 1.00 0.00 H new ATOM 66 N SER A 8 12.708 -1.530 13.417 1.00 0.00 N ATOM 67 CA SER A 8 13.927 -2.247 13.062 1.00 0.00 C ATOM 68 C SER A 8 14.731 -1.471 12.024 1.00 0.00 C ATOM 69 O SER A 8 14.168 -0.764 11.188 1.00 0.00 O ATOM 70 CB SER A 8 13.588 -3.639 12.525 1.00 0.00 C ATOM 71 OG SER A 8 14.716 -4.237 11.910 1.00 0.00 O ATOM 0 H SER A 8 11.964 -1.594 12.723 1.00 0.00 H new ATOM 0 HA SER A 8 14.533 -2.351 13.962 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.237 -4.271 13.340 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.773 -3.566 11.805 1.00 0.00 H new ATOM 0 HG SER A 8 14.474 -5.126 11.577 1.00 0.00 H new ATOM 77 N SER A 9 16.052 -1.607 12.084 1.00 0.00 N ATOM 78 CA SER A 9 16.935 -0.916 11.153 1.00 0.00 C ATOM 79 C SER A 9 17.031 -1.673 9.831 1.00 0.00 C ATOM 80 O SER A 9 17.633 -2.745 9.760 1.00 0.00 O ATOM 81 CB SER A 9 18.329 -0.754 11.763 1.00 0.00 C ATOM 82 OG SER A 9 18.916 -2.014 12.036 1.00 0.00 O ATOM 0 H SER A 9 16.534 -2.190 12.768 1.00 0.00 H new ATOM 0 HA SER A 9 16.515 0.071 10.957 1.00 0.00 H new ATOM 0 HB2 SER A 9 18.966 -0.193 11.079 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.261 -0.174 12.683 1.00 0.00 H new ATOM 0 HG SER A 9 18.568 -2.680 11.407 1.00 0.00 H new ATOM 88 N SER A 10 16.433 -1.108 8.788 1.00 0.00 N ATOM 89 CA SER A 10 16.446 -1.730 7.469 1.00 0.00 C ATOM 90 C SER A 10 17.487 -1.072 6.569 1.00 0.00 C ATOM 91 O SER A 10 18.040 -0.025 6.903 1.00 0.00 O ATOM 92 CB SER A 10 15.063 -1.635 6.823 1.00 0.00 C ATOM 93 OG SER A 10 14.982 -2.452 5.668 1.00 0.00 O ATOM 0 H SER A 10 15.933 -0.220 8.830 1.00 0.00 H new ATOM 0 HA SER A 10 16.709 -2.780 7.592 1.00 0.00 H new ATOM 0 HB2 SER A 10 14.301 -1.939 7.541 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.854 -0.599 6.555 1.00 0.00 H new ATOM 0 HG SER A 10 14.088 -2.375 5.275 1.00 0.00 H new ATOM 99 N SER A 11 17.748 -1.695 5.424 1.00 0.00 N ATOM 100 CA SER A 11 18.725 -1.173 4.475 1.00 0.00 C ATOM 101 C SER A 11 18.171 0.042 3.737 1.00 0.00 C ATOM 102 O SER A 11 17.020 0.043 3.298 1.00 0.00 O ATOM 103 CB SER A 11 19.122 -2.257 3.471 1.00 0.00 C ATOM 104 OG SER A 11 20.429 -2.036 2.971 1.00 0.00 O ATOM 0 H SER A 11 17.297 -2.562 5.131 1.00 0.00 H new ATOM 0 HA SER A 11 19.608 -0.865 5.034 1.00 0.00 H new ATOM 0 HB2 SER A 11 19.073 -3.235 3.949 1.00 0.00 H new ATOM 0 HB3 SER A 11 18.411 -2.270 2.645 1.00 0.00 H new ATOM 0 HG SER A 11 20.659 -2.743 2.333 1.00 0.00 H new ATOM 110 N CYS A 12 18.997 1.073 3.605 1.00 0.00 N ATOM 111 CA CYS A 12 18.590 2.296 2.921 1.00 0.00 C ATOM 112 C CYS A 12 18.540 2.083 1.412 1.00 0.00 C ATOM 113 O CYS A 12 19.063 1.096 0.894 1.00 0.00 O ATOM 114 CB CYS A 12 19.552 3.436 3.256 1.00 0.00 C ATOM 115 SG CYS A 12 21.209 3.232 2.562 1.00 0.00 S ATOM 0 H CYS A 12 19.952 1.087 3.962 1.00 0.00 H new ATOM 0 HA CYS A 12 17.590 2.561 3.266 1.00 0.00 H new ATOM 0 HB2 CYS A 12 19.130 4.372 2.891 1.00 0.00 H new ATOM 0 HB3 CYS A 12 19.632 3.523 4.340 1.00 0.00 H new ATOM 0 HG CYS A 12 21.948 4.247 2.898 1.00 0.00 H new ATOM 121 N THR A 13 17.905 3.016 0.708 1.00 0.00 N ATOM 122 CA THR A 13 17.784 2.930 -0.741 1.00 0.00 C ATOM 123 C THR A 13 19.154 2.840 -1.403 1.00 0.00 C ATOM 124 O THR A 13 19.935 3.791 -1.369 1.00 0.00 O ATOM 125 CB THR A 13 17.028 4.144 -1.315 1.00 0.00 C ATOM 126 OG1 THR A 13 17.667 5.358 -0.904 1.00 0.00 O ATOM 127 CG2 THR A 13 15.579 4.146 -0.853 1.00 0.00 C ATOM 0 H THR A 13 17.467 3.840 1.119 1.00 0.00 H new ATOM 0 HA THR A 13 17.219 2.024 -0.957 1.00 0.00 H new ATOM 0 HB THR A 13 17.046 4.075 -2.403 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.640 5.248 -0.952 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.065 5.012 -1.271 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.088 3.234 -1.192 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.544 4.193 0.235 1.00 0.00 H new ATOM 135 N VAL A 14 19.440 1.691 -2.007 1.00 0.00 N ATOM 136 CA VAL A 14 20.716 1.477 -2.679 1.00 0.00 C ATOM 137 C VAL A 14 20.520 1.260 -4.175 1.00 0.00 C ATOM 138 O VAL A 14 19.514 0.693 -4.605 1.00 0.00 O ATOM 139 CB VAL A 14 21.465 0.267 -2.090 1.00 0.00 C ATOM 140 CG1 VAL A 14 20.731 -1.025 -2.414 1.00 0.00 C ATOM 141 CG2 VAL A 14 22.895 0.222 -2.608 1.00 0.00 C ATOM 0 H VAL A 14 18.805 0.894 -2.045 1.00 0.00 H new ATOM 0 HA VAL A 14 21.312 2.376 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 14 21.499 0.375 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 14 21.275 -1.869 -1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 14 19.728 -0.990 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 14 20.663 -1.144 -3.495 1.00 0.00 H new ATOM 0 HG21 VAL A 14 23.409 -0.639 -2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 14 22.886 0.138 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 14 23.415 1.135 -2.319 1.00 0.00 H new ATOM 151 N THR A 15 21.487 1.714 -4.966 1.00 0.00 N ATOM 152 CA THR A 15 21.421 1.570 -6.414 1.00 0.00 C ATOM 153 C THR A 15 20.217 2.311 -6.986 1.00 0.00 C ATOM 154 O THR A 15 19.522 1.803 -7.866 1.00 0.00 O ATOM 155 CB THR A 15 21.341 0.089 -6.829 1.00 0.00 C ATOM 156 OG1 THR A 15 22.268 -0.686 -6.060 1.00 0.00 O ATOM 157 CG2 THR A 15 21.643 -0.075 -8.311 1.00 0.00 C ATOM 0 H THR A 15 22.326 2.185 -4.627 1.00 0.00 H new ATOM 0 HA THR A 15 22.337 2.004 -6.816 1.00 0.00 H new ATOM 0 HB THR A 15 20.327 -0.264 -6.640 1.00 0.00 H new ATOM 0 HG1 THR A 15 22.210 -1.627 -6.329 1.00 0.00 H new ATOM 0 HG21 THR A 15 21.580 -1.129 -8.581 1.00 0.00 H new ATOM 0 HG22 THR A 15 20.918 0.492 -8.895 1.00 0.00 H new ATOM 0 HG23 THR A 15 22.647 0.294 -8.521 1.00 0.00 H new ATOM 165 N THR A 16 19.976 3.517 -6.481 1.00 0.00 N ATOM 166 CA THR A 16 18.857 4.329 -6.941 1.00 0.00 C ATOM 167 C THR A 16 19.022 4.714 -8.407 1.00 0.00 C ATOM 168 O THR A 16 18.067 4.674 -9.181 1.00 0.00 O ATOM 169 CB THR A 16 18.708 5.610 -6.099 1.00 0.00 C ATOM 170 OG1 THR A 16 18.630 5.276 -4.709 1.00 0.00 O ATOM 171 CG2 THR A 16 17.466 6.386 -6.510 1.00 0.00 C ATOM 0 H THR A 16 20.542 3.953 -5.753 1.00 0.00 H new ATOM 0 HA THR A 16 17.959 3.722 -6.827 1.00 0.00 H new ATOM 0 HB THR A 16 19.583 6.237 -6.273 1.00 0.00 H new ATOM 0 HG1 THR A 16 18.537 6.096 -4.180 1.00 0.00 H new ATOM 0 HG21 THR A 16 17.382 7.287 -5.902 1.00 0.00 H new ATOM 0 HG22 THR A 16 17.542 6.664 -7.561 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.583 5.764 -6.362 1.00 0.00 H new ATOM 179 N GLY A 17 20.242 5.087 -8.782 1.00 0.00 N ATOM 180 CA GLY A 17 20.511 5.474 -10.154 1.00 0.00 C ATOM 181 C GLY A 17 20.918 4.297 -11.019 1.00 0.00 C ATOM 182 O GLY A 17 21.943 4.342 -11.700 1.00 0.00 O ATOM 0 H GLY A 17 21.049 5.128 -8.159 1.00 0.00 H new ATOM 0 HA2 GLY A 17 19.622 5.942 -10.577 1.00 0.00 H new ATOM 0 HA3 GLY A 17 21.303 6.223 -10.169 1.00 0.00 H new ATOM 186 N THR A 18 20.114 3.239 -10.992 1.00 0.00 N ATOM 187 CA THR A 18 20.398 2.044 -11.777 1.00 0.00 C ATOM 188 C THR A 18 20.624 2.390 -13.244 1.00 0.00 C ATOM 189 O THR A 18 19.736 2.922 -13.912 1.00 0.00 O ATOM 190 CB THR A 18 19.252 1.019 -11.675 1.00 0.00 C ATOM 191 OG1 THR A 18 19.614 -0.190 -12.351 1.00 0.00 O ATOM 192 CG2 THR A 18 17.971 1.578 -12.275 1.00 0.00 C ATOM 0 H THR A 18 19.261 3.185 -10.435 1.00 0.00 H new ATOM 0 HA THR A 18 21.307 1.605 -11.365 1.00 0.00 H new ATOM 0 HB THR A 18 19.077 0.806 -10.620 1.00 0.00 H new ATOM 0 HG1 THR A 18 18.881 -0.837 -12.280 1.00 0.00 H new ATOM 0 HG21 THR A 18 17.176 0.837 -12.191 1.00 0.00 H new ATOM 0 HG22 THR A 18 17.682 2.482 -11.738 1.00 0.00 H new ATOM 0 HG23 THR A 18 18.135 1.817 -13.326 1.00 0.00 H new ATOM 200 N LEU A 19 21.818 2.086 -13.742 1.00 0.00 N ATOM 201 CA LEU A 19 22.161 2.365 -15.132 1.00 0.00 C ATOM 202 C LEU A 19 21.428 1.416 -16.075 1.00 0.00 C ATOM 203 O LEU A 19 20.970 1.818 -17.144 1.00 0.00 O ATOM 204 CB LEU A 19 23.672 2.241 -15.339 1.00 0.00 C ATOM 205 CG LEU A 19 24.222 0.818 -15.438 1.00 0.00 C ATOM 206 CD1 LEU A 19 24.203 0.338 -16.881 1.00 0.00 C ATOM 207 CD2 LEU A 19 25.632 0.751 -14.870 1.00 0.00 C ATOM 0 H LEU A 19 22.565 1.646 -13.204 1.00 0.00 H new ATOM 0 HA LEU A 19 21.851 3.385 -15.360 1.00 0.00 H new ATOM 0 HB2 LEU A 19 23.939 2.776 -16.250 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.174 2.746 -14.514 1.00 0.00 H new ATOM 0 HG LEU A 19 23.583 0.160 -14.849 1.00 0.00 H new ATOM 0 HD11 LEU A 19 24.598 -0.677 -16.932 1.00 0.00 H new ATOM 0 HD12 LEU A 19 23.179 0.348 -17.254 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.818 0.998 -17.492 1.00 0.00 H new ATOM 0 HD21 LEU A 19 26.008 -0.269 -14.949 1.00 0.00 H new ATOM 0 HD22 LEU A 19 26.283 1.422 -15.431 1.00 0.00 H new ATOM 0 HD23 LEU A 19 25.617 1.052 -13.823 1.00 0.00 H new ATOM 219 N GLY A 20 21.318 0.154 -15.669 1.00 0.00 N ATOM 220 CA GLY A 20 20.637 -0.831 -16.488 1.00 0.00 C ATOM 221 C GLY A 20 19.204 -0.444 -16.791 1.00 0.00 C ATOM 222 O GLY A 20 18.326 -0.564 -15.936 1.00 0.00 O ATOM 0 H GLY A 20 21.688 -0.203 -14.788 1.00 0.00 H new ATOM 0 HA2 GLY A 20 21.181 -0.959 -17.424 1.00 0.00 H new ATOM 0 HA3 GLY A 20 20.650 -1.794 -15.978 1.00 0.00 H new ATOM 226 N PHE A 21 18.964 0.025 -18.011 1.00 0.00 N ATOM 227 CA PHE A 21 17.627 0.435 -18.424 1.00 0.00 C ATOM 228 C PHE A 21 16.717 -0.777 -18.601 1.00 0.00 C ATOM 229 O PHE A 21 17.176 -1.869 -18.935 1.00 0.00 O ATOM 230 CB PHE A 21 17.694 1.230 -19.729 1.00 0.00 C ATOM 231 CG PHE A 21 18.066 2.672 -19.534 1.00 0.00 C ATOM 232 CD1 PHE A 21 17.094 3.622 -19.264 1.00 0.00 C ATOM 233 CD2 PHE A 21 19.388 3.078 -19.620 1.00 0.00 C ATOM 234 CE1 PHE A 21 17.433 4.950 -19.083 1.00 0.00 C ATOM 235 CE2 PHE A 21 19.733 4.404 -19.440 1.00 0.00 C ATOM 236 CZ PHE A 21 18.754 5.341 -19.172 1.00 0.00 C ATOM 0 H PHE A 21 19.678 0.131 -18.731 1.00 0.00 H new ATOM 0 HA PHE A 21 17.211 1.069 -17.641 1.00 0.00 H new ATOM 0 HB2 PHE A 21 18.421 0.762 -20.393 1.00 0.00 H new ATOM 0 HB3 PHE A 21 16.726 1.177 -20.228 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.059 3.321 -19.194 1.00 0.00 H new ATOM 0 HD2 PHE A 21 20.158 2.350 -19.830 1.00 0.00 H new ATOM 0 HE1 PHE A 21 16.666 5.680 -18.872 1.00 0.00 H new ATOM 0 HE2 PHE A 21 20.767 4.707 -19.509 1.00 0.00 H new ATOM 0 HZ PHE A 21 19.022 6.378 -19.032 1.00 0.00 H new ATOM 246 N GLY A 22 15.422 -0.576 -18.373 1.00 0.00 N ATOM 247 CA GLY A 22 14.468 -1.661 -18.510 1.00 0.00 C ATOM 248 C GLY A 22 13.437 -1.670 -17.399 1.00 0.00 C ATOM 249 O GLY A 22 13.668 -2.242 -16.334 1.00 0.00 O ATOM 0 H GLY A 22 15.017 0.318 -18.096 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.961 -1.576 -19.471 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.002 -2.611 -18.514 1.00 0.00 H new ATOM 253 N ASP A 23 12.297 -1.035 -17.647 1.00 0.00 N ATOM 254 CA ASP A 23 11.226 -0.972 -16.658 1.00 0.00 C ATOM 255 C ASP A 23 9.862 -0.905 -17.338 1.00 0.00 C ATOM 256 O ASP A 23 9.759 -0.554 -18.513 1.00 0.00 O ATOM 257 CB ASP A 23 11.416 0.240 -15.746 1.00 0.00 C ATOM 258 CG ASP A 23 12.777 0.255 -15.079 1.00 0.00 C ATOM 259 OD1 ASP A 23 12.971 -0.508 -14.109 1.00 0.00 O ATOM 260 OD2 ASP A 23 13.649 1.031 -15.525 1.00 0.00 O ATOM 0 H ASP A 23 12.090 -0.557 -18.524 1.00 0.00 H new ATOM 0 HA ASP A 23 11.267 -1.879 -16.056 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.290 1.153 -16.329 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.640 0.241 -14.981 1.00 0.00 H new ATOM 265 N LYS A 24 8.817 -1.244 -16.591 1.00 0.00 N ATOM 266 CA LYS A 24 7.459 -1.222 -17.119 1.00 0.00 C ATOM 267 C LYS A 24 7.046 0.196 -17.500 1.00 0.00 C ATOM 268 O LYS A 24 7.105 1.112 -16.680 1.00 0.00 O ATOM 269 CB LYS A 24 6.479 -1.791 -16.090 1.00 0.00 C ATOM 270 CG LYS A 24 6.454 -1.017 -14.783 1.00 0.00 C ATOM 271 CD LYS A 24 5.774 -1.810 -13.679 1.00 0.00 C ATOM 272 CE LYS A 24 6.772 -2.665 -12.913 1.00 0.00 C ATOM 273 NZ LYS A 24 6.976 -3.992 -13.559 1.00 0.00 N ATOM 0 H LYS A 24 8.885 -1.538 -15.617 1.00 0.00 H new ATOM 0 HA LYS A 24 7.435 -1.842 -18.015 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.477 -1.796 -16.519 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.743 -2.828 -15.884 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.473 -0.774 -14.483 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.931 -0.072 -14.929 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.276 -1.126 -12.992 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.002 -2.447 -14.110 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.726 -2.141 -12.850 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.419 -2.809 -11.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.261 -4.688 -12.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.089 -4.300 -14.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.720 -3.916 -14.281 1.00 0.00 H new ATOM 287 N PHE A 25 6.626 0.370 -18.749 1.00 0.00 N ATOM 288 CA PHE A 25 6.203 1.677 -19.238 1.00 0.00 C ATOM 289 C PHE A 25 4.750 1.953 -18.864 1.00 0.00 C ATOM 290 O PHE A 25 3.985 1.032 -18.575 1.00 0.00 O ATOM 291 CB PHE A 25 6.375 1.757 -20.757 1.00 0.00 C ATOM 292 CG PHE A 25 7.783 1.506 -21.215 1.00 0.00 C ATOM 293 CD1 PHE A 25 8.784 2.429 -20.960 1.00 0.00 C ATOM 294 CD2 PHE A 25 8.106 0.346 -21.900 1.00 0.00 C ATOM 295 CE1 PHE A 25 10.081 2.201 -21.379 1.00 0.00 C ATOM 296 CE2 PHE A 25 9.401 0.112 -22.322 1.00 0.00 C ATOM 297 CZ PHE A 25 10.389 1.041 -22.063 1.00 0.00 C ATOM 0 H PHE A 25 6.570 -0.378 -19.441 1.00 0.00 H new ATOM 0 HA PHE A 25 6.831 2.434 -18.768 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.713 1.030 -21.228 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.061 2.743 -21.099 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.548 3.338 -20.427 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.337 -0.384 -22.107 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.852 2.928 -21.172 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.640 -0.797 -22.854 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.401 0.861 -22.395 1.00 0.00 H new ATOM 307 N LYS A 26 4.375 3.228 -18.872 1.00 0.00 N ATOM 308 CA LYS A 26 3.014 3.628 -18.535 1.00 0.00 C ATOM 309 C LYS A 26 2.665 3.219 -17.107 1.00 0.00 C ATOM 310 O LYS A 26 1.556 2.757 -16.838 1.00 0.00 O ATOM 311 CB LYS A 26 2.019 3.001 -19.514 1.00 0.00 C ATOM 312 CG LYS A 26 2.019 3.656 -20.884 1.00 0.00 C ATOM 313 CD LYS A 26 1.333 5.012 -20.854 1.00 0.00 C ATOM 314 CE LYS A 26 -0.175 4.876 -20.990 1.00 0.00 C ATOM 315 NZ LYS A 26 -0.565 4.308 -22.310 1.00 0.00 N ATOM 0 H LYS A 26 4.995 4.002 -19.108 1.00 0.00 H new ATOM 0 HA LYS A 26 2.952 4.714 -18.609 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.251 1.942 -19.627 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.017 3.064 -19.090 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.045 3.774 -21.232 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.513 3.007 -21.599 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.571 5.521 -19.920 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.718 5.634 -21.662 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.555 4.237 -20.193 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.640 5.854 -20.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.532 4.609 -22.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.091 4.648 -23.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.526 3.270 -22.266 1.00 0.00 H new ATOM 329 N ARG A 27 3.617 3.394 -16.197 1.00 0.00 N ATOM 330 CA ARG A 27 3.409 3.043 -14.797 1.00 0.00 C ATOM 331 C ARG A 27 2.843 4.227 -14.018 1.00 0.00 C ATOM 332 O ARG A 27 3.065 5.389 -14.359 1.00 0.00 O ATOM 333 CB ARG A 27 4.723 2.584 -14.163 1.00 0.00 C ATOM 334 CG ARG A 27 5.737 3.702 -13.985 1.00 0.00 C ATOM 335 CD ARG A 27 7.148 3.156 -13.830 1.00 0.00 C ATOM 336 NE ARG A 27 7.401 2.671 -12.476 1.00 0.00 N ATOM 337 CZ ARG A 27 7.779 3.456 -11.473 1.00 0.00 C ATOM 338 NH1 ARG A 27 7.946 4.756 -11.672 1.00 0.00 N ATOM 339 NH2 ARG A 27 7.990 2.941 -10.269 1.00 0.00 N ATOM 0 H ARG A 27 4.540 3.777 -16.404 1.00 0.00 H new ATOM 0 HA ARG A 27 2.689 2.226 -14.757 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.511 2.139 -13.191 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.162 1.802 -14.783 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.697 4.371 -14.845 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.477 4.294 -13.108 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.303 2.344 -14.541 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.868 3.937 -14.076 1.00 0.00 H new ATOM 0 HE ARG A 27 7.281 1.675 -12.290 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.784 5.155 -12.597 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.236 5.357 -10.901 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.862 1.941 -10.112 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.280 3.545 -9.500 1.00 0.00 H new ATOM 353 N PRO A 28 2.093 3.927 -12.947 1.00 0.00 N ATOM 354 CA PRO A 28 1.480 4.952 -12.098 1.00 0.00 C ATOM 355 C PRO A 28 2.512 5.723 -11.282 1.00 0.00 C ATOM 356 O PRO A 28 3.579 5.199 -10.959 1.00 0.00 O ATOM 357 CB PRO A 28 0.562 4.146 -11.175 1.00 0.00 C ATOM 358 CG PRO A 28 1.170 2.787 -11.129 1.00 0.00 C ATOM 359 CD PRO A 28 1.787 2.564 -12.482 1.00 0.00 C ATOM 0 HA PRO A 28 0.959 5.709 -12.685 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.511 4.591 -10.181 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.457 4.111 -11.562 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.921 2.722 -10.342 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.416 2.029 -10.914 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.686 1.950 -12.418 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.100 2.054 -13.157 1.00 0.00 H new ATOM 367 N ILE A 29 2.189 6.968 -10.951 1.00 0.00 N ATOM 368 CA ILE A 29 3.088 7.809 -10.171 1.00 0.00 C ATOM 369 C ILE A 29 2.517 8.087 -8.785 1.00 0.00 C ATOM 370 O ILE A 29 1.474 8.726 -8.648 1.00 0.00 O ATOM 371 CB ILE A 29 3.361 9.149 -10.880 1.00 0.00 C ATOM 372 CG1 ILE A 29 3.957 8.905 -12.268 1.00 0.00 C ATOM 373 CG2 ILE A 29 4.294 10.011 -10.041 1.00 0.00 C ATOM 374 CD1 ILE A 29 5.297 8.203 -12.235 1.00 0.00 C ATOM 0 H ILE A 29 1.311 7.417 -11.211 1.00 0.00 H new ATOM 0 HA ILE A 29 4.025 7.262 -10.072 1.00 0.00 H new ATOM 0 HB ILE A 29 2.416 9.679 -10.999 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.258 8.309 -12.855 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.069 9.861 -12.780 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.478 10.955 -10.555 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.834 10.209 -9.073 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.239 9.488 -9.894 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.660 8.063 -13.253 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.011 8.808 -11.676 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.187 7.232 -11.752 1.00 0.00 H new ATOM 386 N GLY A 30 3.209 7.605 -7.758 1.00 0.00 N ATOM 387 CA GLY A 30 2.757 7.813 -6.394 1.00 0.00 C ATOM 388 C GLY A 30 2.233 6.541 -5.757 1.00 0.00 C ATOM 389 O GLY A 30 2.545 6.243 -4.604 1.00 0.00 O ATOM 0 H GLY A 30 4.075 7.074 -7.846 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.582 8.202 -5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.973 8.570 -6.386 1.00 0.00 H new ATOM 393 N SER A 31 1.434 5.790 -6.508 1.00 0.00 N ATOM 394 CA SER A 31 0.861 4.546 -6.007 1.00 0.00 C ATOM 395 C SER A 31 1.957 3.539 -5.674 1.00 0.00 C ATOM 396 O SER A 31 3.106 3.695 -6.089 1.00 0.00 O ATOM 397 CB SER A 31 -0.099 3.951 -7.038 1.00 0.00 C ATOM 398 OG SER A 31 -0.750 4.970 -7.777 1.00 0.00 O ATOM 0 H SER A 31 1.169 6.021 -7.465 1.00 0.00 H new ATOM 0 HA SER A 31 0.309 4.770 -5.094 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.450 3.299 -7.717 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.841 3.332 -6.534 1.00 0.00 H new ATOM 0 HG SER A 31 -1.357 4.563 -8.430 1.00 0.00 H new ATOM 404 N TRP A 32 1.594 2.505 -4.924 1.00 0.00 N ATOM 405 CA TRP A 32 2.546 1.470 -4.536 1.00 0.00 C ATOM 406 C TRP A 32 2.222 0.147 -5.221 1.00 0.00 C ATOM 407 O TRP A 32 1.104 -0.357 -5.118 1.00 0.00 O ATOM 408 CB TRP A 32 2.540 1.288 -3.017 1.00 0.00 C ATOM 409 CG TRP A 32 1.170 1.070 -2.450 1.00 0.00 C ATOM 410 CD1 TRP A 32 0.241 2.029 -2.161 1.00 0.00 C ATOM 411 CD2 TRP A 32 0.575 -0.185 -2.103 1.00 0.00 C ATOM 412 NE1 TRP A 32 -0.895 1.445 -1.654 1.00 0.00 N ATOM 413 CE2 TRP A 32 -0.716 0.088 -1.610 1.00 0.00 C ATOM 414 CE3 TRP A 32 1.007 -1.513 -2.162 1.00 0.00 C ATOM 415 CZ2 TRP A 32 -1.575 -0.919 -1.178 1.00 0.00 C ATOM 416 CZ3 TRP A 32 0.153 -2.511 -1.734 1.00 0.00 C ATOM 417 CH2 TRP A 32 -1.127 -2.210 -1.248 1.00 0.00 C ATOM 0 H TRP A 32 0.648 2.361 -4.572 1.00 0.00 H new ATOM 0 HA TRP A 32 3.539 1.787 -4.853 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.172 0.439 -2.758 1.00 0.00 H new ATOM 0 HB3 TRP A 32 2.982 2.169 -2.551 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.379 3.090 -2.309 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.735 1.942 -1.358 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.991 -1.755 -2.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.561 -0.689 -0.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.477 -3.540 -1.775 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.772 -3.013 -0.922 1.00 0.00 H new ATOM 428 N GLU A 33 3.207 -0.409 -5.919 1.00 0.00 N ATOM 429 CA GLU A 33 3.024 -1.674 -6.621 1.00 0.00 C ATOM 430 C GLU A 33 2.840 -2.823 -5.633 1.00 0.00 C ATOM 431 O GLU A 33 3.756 -3.169 -4.887 1.00 0.00 O ATOM 432 CB GLU A 33 4.223 -1.956 -7.529 1.00 0.00 C ATOM 433 CG GLU A 33 4.300 -3.398 -8.005 1.00 0.00 C ATOM 434 CD GLU A 33 5.511 -3.659 -8.880 1.00 0.00 C ATOM 435 OE1 GLU A 33 6.645 -3.427 -8.410 1.00 0.00 O ATOM 436 OE2 GLU A 33 5.324 -4.096 -10.035 1.00 0.00 O ATOM 0 H GLU A 33 4.138 -0.004 -6.013 1.00 0.00 H new ATOM 0 HA GLU A 33 2.125 -1.595 -7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.174 -1.298 -8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.140 -1.709 -6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.331 -4.061 -7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.395 -3.642 -8.561 1.00 0.00 H new ATOM 443 N CYS A 34 1.648 -3.410 -5.634 1.00 0.00 N ATOM 444 CA CYS A 34 1.340 -4.519 -4.738 1.00 0.00 C ATOM 445 C CYS A 34 2.303 -5.681 -4.962 1.00 0.00 C ATOM 446 O CYS A 34 2.987 -5.747 -5.983 1.00 0.00 O ATOM 447 CB CYS A 34 -0.101 -4.987 -4.950 1.00 0.00 C ATOM 448 SG CYS A 34 -0.679 -6.195 -3.714 1.00 0.00 S ATOM 0 H CYS A 34 0.879 -3.136 -6.246 1.00 0.00 H new ATOM 0 HA CYS A 34 1.454 -4.169 -3.712 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.760 -4.119 -4.930 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.186 -5.430 -5.942 1.00 0.00 H new ATOM 453 N SER A 35 2.350 -6.597 -3.999 1.00 0.00 N ATOM 454 CA SER A 35 3.231 -7.755 -4.088 1.00 0.00 C ATOM 455 C SER A 35 2.434 -9.022 -4.386 1.00 0.00 C ATOM 456 O SER A 35 2.915 -9.926 -5.070 1.00 0.00 O ATOM 457 CB SER A 35 4.016 -7.927 -2.787 1.00 0.00 C ATOM 458 OG SER A 35 5.069 -8.862 -2.946 1.00 0.00 O ATOM 0 H SER A 35 1.788 -6.559 -3.149 1.00 0.00 H new ATOM 0 HA SER A 35 3.931 -7.586 -4.906 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.423 -6.965 -2.475 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.345 -8.261 -1.995 1.00 0.00 H new ATOM 0 HG SER A 35 5.556 -8.953 -2.101 1.00 0.00 H new ATOM 464 N VAL A 36 1.212 -9.080 -3.867 1.00 0.00 N ATOM 465 CA VAL A 36 0.346 -10.235 -4.077 1.00 0.00 C ATOM 466 C VAL A 36 -0.194 -10.265 -5.502 1.00 0.00 C ATOM 467 O VAL A 36 0.063 -11.205 -6.255 1.00 0.00 O ATOM 468 CB VAL A 36 -0.837 -10.236 -3.091 1.00 0.00 C ATOM 469 CG1 VAL A 36 -1.948 -11.147 -3.591 1.00 0.00 C ATOM 470 CG2 VAL A 36 -0.375 -10.656 -1.704 1.00 0.00 C ATOM 0 H VAL A 36 0.799 -8.341 -3.298 1.00 0.00 H new ATOM 0 HA VAL A 36 0.954 -11.123 -3.904 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.233 -9.223 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.775 -11.135 -2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.297 -10.796 -4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.568 -12.164 -3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.224 -10.651 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.048 -11.660 -1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.383 -9.959 -1.346 1.00 0.00 H new ATOM 480 N CYS A 37 -0.943 -9.230 -5.867 1.00 0.00 N ATOM 481 CA CYS A 37 -1.520 -9.136 -7.203 1.00 0.00 C ATOM 482 C CYS A 37 -0.759 -8.125 -8.054 1.00 0.00 C ATOM 483 O CYS A 37 -0.818 -8.164 -9.284 1.00 0.00 O ATOM 484 CB CYS A 37 -2.995 -8.740 -7.117 1.00 0.00 C ATOM 485 SG CYS A 37 -3.280 -7.079 -6.423 1.00 0.00 S ATOM 0 H CYS A 37 -1.165 -8.444 -5.256 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.441 -10.115 -7.676 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.431 -8.785 -8.115 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.522 -9.473 -6.506 1.00 0.00 H new ATOM 490 N CYS A 38 -0.045 -7.221 -7.393 1.00 0.00 N ATOM 491 CA CYS A 38 0.728 -6.198 -8.088 1.00 0.00 C ATOM 492 C CYS A 38 -0.188 -5.259 -8.866 1.00 0.00 C ATOM 493 O CYS A 38 0.056 -4.963 -10.036 1.00 0.00 O ATOM 494 CB CYS A 38 1.736 -6.849 -9.037 1.00 0.00 C ATOM 495 SG CYS A 38 2.858 -8.017 -8.234 1.00 0.00 S ATOM 0 H CYS A 38 0.015 -7.176 -6.376 1.00 0.00 H new ATOM 0 HA CYS A 38 1.267 -5.614 -7.341 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.193 -7.368 -9.827 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.325 -6.067 -9.516 1.00 0.00 H new ATOM 0 HG CYS A 38 3.255 -7.526 -7.097 1.00 0.00 H new ATOM 501 N VAL A 39 -1.246 -4.795 -8.209 1.00 0.00 N ATOM 502 CA VAL A 39 -2.201 -3.890 -8.839 1.00 0.00 C ATOM 503 C VAL A 39 -2.131 -2.499 -8.217 1.00 0.00 C ATOM 504 O VAL A 39 -1.849 -2.353 -7.028 1.00 0.00 O ATOM 505 CB VAL A 39 -3.641 -4.422 -8.720 1.00 0.00 C ATOM 506 CG1 VAL A 39 -4.641 -3.355 -9.141 1.00 0.00 C ATOM 507 CG2 VAL A 39 -3.813 -5.683 -9.552 1.00 0.00 C ATOM 0 H VAL A 39 -1.464 -5.031 -7.241 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.931 -3.828 -9.893 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.832 -4.674 -7.677 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.653 -3.749 -9.050 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.533 -2.481 -8.498 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.454 -3.069 -10.176 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.837 -6.045 -9.456 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.603 -5.460 -10.598 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.122 -6.449 -9.199 1.00 0.00 H new ATOM 517 N SER A 40 -2.391 -1.480 -9.030 1.00 0.00 N ATOM 518 CA SER A 40 -2.355 -0.100 -8.562 1.00 0.00 C ATOM 519 C SER A 40 -3.322 0.104 -7.399 1.00 0.00 C ATOM 520 O SER A 40 -4.340 -0.578 -7.297 1.00 0.00 O ATOM 521 CB SER A 40 -2.702 0.858 -9.703 1.00 0.00 C ATOM 522 OG SER A 40 -1.604 1.021 -10.584 1.00 0.00 O ATOM 0 H SER A 40 -2.629 -1.585 -10.016 1.00 0.00 H new ATOM 0 HA SER A 40 -1.344 0.113 -8.214 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.561 0.476 -10.254 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.991 1.826 -9.294 1.00 0.00 H new ATOM 0 HG SER A 40 -1.852 1.636 -11.305 1.00 0.00 H new ATOM 528 N ASN A 41 -2.993 1.050 -6.524 1.00 0.00 N ATOM 529 CA ASN A 41 -3.831 1.345 -5.368 1.00 0.00 C ATOM 530 C ASN A 41 -3.574 2.759 -4.856 1.00 0.00 C ATOM 531 O ASN A 41 -2.709 3.467 -5.369 1.00 0.00 O ATOM 532 CB ASN A 41 -3.571 0.331 -4.252 1.00 0.00 C ATOM 533 CG ASN A 41 -3.767 -1.100 -4.713 1.00 0.00 C ATOM 534 OD1 ASN A 41 -4.857 -1.483 -5.140 1.00 0.00 O ATOM 535 ND2 ASN A 41 -2.709 -1.899 -4.629 1.00 0.00 N ATOM 0 H ASN A 41 -2.153 1.624 -6.594 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.873 1.274 -5.679 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.553 0.455 -3.883 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.240 0.535 -3.416 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.780 -2.873 -4.925 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.825 -1.539 -4.269 1.00 0.00 H new ATOM 542 N ASN A 42 -4.331 3.162 -3.840 1.00 0.00 N ATOM 543 CA ASN A 42 -4.185 4.491 -3.259 1.00 0.00 C ATOM 544 C ASN A 42 -3.004 4.536 -2.294 1.00 0.00 C ATOM 545 O ASN A 42 -2.864 3.672 -1.428 1.00 0.00 O ATOM 546 CB ASN A 42 -5.468 4.896 -2.531 1.00 0.00 C ATOM 547 CG ASN A 42 -6.528 5.425 -3.478 1.00 0.00 C ATOM 548 OD1 ASN A 42 -7.511 4.745 -3.770 1.00 0.00 O ATOM 549 ND2 ASN A 42 -6.331 6.645 -3.963 1.00 0.00 N ATOM 0 H ASN A 42 -5.051 2.587 -3.403 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.997 5.196 -4.069 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.864 4.035 -1.992 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.235 5.659 -1.788 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.010 7.054 -4.605 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.501 7.173 -3.693 1.00 0.00 H new ATOM 556 N ALA A 43 -2.158 5.549 -2.449 1.00 0.00 N ATOM 557 CA ALA A 43 -0.991 5.708 -1.591 1.00 0.00 C ATOM 558 C ALA A 43 -1.389 5.711 -0.119 1.00 0.00 C ATOM 559 O ALA A 43 -0.760 5.047 0.705 1.00 0.00 O ATOM 560 CB ALA A 43 -0.248 6.988 -1.942 1.00 0.00 C ATOM 0 H ALA A 43 -2.259 6.272 -3.161 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.328 4.859 -1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.621 7.094 -1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.078 6.946 -2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.910 7.843 -1.804 1.00 0.00 H new ATOM 566 N GLU A 44 -2.436 6.464 0.205 1.00 0.00 N ATOM 567 CA GLU A 44 -2.915 6.554 1.579 1.00 0.00 C ATOM 568 C GLU A 44 -3.342 5.184 2.097 1.00 0.00 C ATOM 569 O GLU A 44 -3.111 4.849 3.259 1.00 0.00 O ATOM 570 CB GLU A 44 -4.087 7.534 1.670 1.00 0.00 C ATOM 571 CG GLU A 44 -5.239 7.194 0.740 1.00 0.00 C ATOM 572 CD GLU A 44 -6.250 6.263 1.380 1.00 0.00 C ATOM 573 OE1 GLU A 44 -6.317 6.225 2.626 1.00 0.00 O ATOM 574 OE2 GLU A 44 -6.975 5.572 0.633 1.00 0.00 O ATOM 0 H GLU A 44 -2.968 7.020 -0.465 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.096 6.919 2.199 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.454 7.554 2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.729 8.537 1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.739 8.114 0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.846 6.731 -0.165 1.00 0.00 H new ATOM 581 N ASP A 45 -3.966 4.398 1.228 1.00 0.00 N ATOM 582 CA ASP A 45 -4.426 3.063 1.596 1.00 0.00 C ATOM 583 C ASP A 45 -3.256 2.188 2.035 1.00 0.00 C ATOM 584 O ASP A 45 -2.364 1.885 1.244 1.00 0.00 O ATOM 585 CB ASP A 45 -5.156 2.410 0.422 1.00 0.00 C ATOM 586 CG ASP A 45 -6.639 2.724 0.415 1.00 0.00 C ATOM 587 OD1 ASP A 45 -7.230 2.816 1.511 1.00 0.00 O ATOM 588 OD2 ASP A 45 -7.208 2.877 -0.686 1.00 0.00 O ATOM 0 H ASP A 45 -4.166 4.661 0.263 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.117 3.161 2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.711 2.750 -0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.017 1.330 0.467 1.00 0.00 H new ATOM 593 N ASN A 46 -3.267 1.786 3.302 1.00 0.00 N ATOM 594 CA ASN A 46 -2.206 0.946 3.846 1.00 0.00 C ATOM 595 C ASN A 46 -2.438 -0.520 3.494 1.00 0.00 C ATOM 596 O ASN A 46 -1.830 -1.415 4.082 1.00 0.00 O ATOM 597 CB ASN A 46 -2.126 1.111 5.365 1.00 0.00 C ATOM 598 CG ASN A 46 -2.035 2.565 5.785 1.00 0.00 C ATOM 599 OD1 ASN A 46 -0.945 3.091 6.011 1.00 0.00 O ATOM 600 ND2 ASN A 46 -3.184 3.223 5.892 1.00 0.00 N ATOM 0 H ASN A 46 -3.998 2.028 3.971 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.262 1.262 3.402 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.005 0.658 5.824 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -1.256 0.572 5.741 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.186 4.204 6.171 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.064 2.747 5.695 1.00 0.00 H new ATOM 607 N LYS A 47 -3.321 -0.759 2.531 1.00 0.00 N ATOM 608 CA LYS A 47 -3.632 -2.116 2.097 1.00 0.00 C ATOM 609 C LYS A 47 -4.147 -2.124 0.661 1.00 0.00 C ATOM 610 O LYS A 47 -4.534 -1.085 0.124 1.00 0.00 O ATOM 611 CB LYS A 47 -4.673 -2.744 3.027 1.00 0.00 C ATOM 612 CG LYS A 47 -4.078 -3.347 4.287 1.00 0.00 C ATOM 613 CD LYS A 47 -5.045 -4.310 4.954 1.00 0.00 C ATOM 614 CE LYS A 47 -6.008 -3.582 5.880 1.00 0.00 C ATOM 615 NZ LYS A 47 -7.236 -4.381 6.143 1.00 0.00 N ATOM 0 H LYS A 47 -3.835 -0.030 2.036 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.715 -2.703 2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.403 -1.984 3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.213 -3.519 2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.154 -3.870 4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.817 -2.551 4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.608 -4.848 4.191 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.486 -5.054 5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.508 -3.363 6.824 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.285 -2.626 5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.866 -3.850 6.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.727 -4.569 5.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.974 -5.283 6.590 1.00 0.00 H new ATOM 629 N CYS A 48 -4.151 -3.301 0.045 1.00 0.00 N ATOM 630 CA CYS A 48 -4.619 -3.445 -1.328 1.00 0.00 C ATOM 631 C CYS A 48 -6.142 -3.520 -1.378 1.00 0.00 C ATOM 632 O CYS A 48 -6.804 -3.625 -0.345 1.00 0.00 O ATOM 633 CB CYS A 48 -4.014 -4.696 -1.967 1.00 0.00 C ATOM 634 SG CYS A 48 -4.022 -4.679 -3.789 1.00 0.00 S ATOM 0 H CYS A 48 -3.835 -4.170 0.476 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.297 -2.568 -1.889 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.987 -4.808 -1.620 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.564 -5.571 -1.620 1.00 0.00 H new ATOM 639 N VAL A 49 -6.692 -3.466 -2.587 1.00 0.00 N ATOM 640 CA VAL A 49 -8.137 -3.530 -2.773 1.00 0.00 C ATOM 641 C VAL A 49 -8.535 -4.772 -3.562 1.00 0.00 C ATOM 642 O VAL A 49 -9.593 -5.356 -3.328 1.00 0.00 O ATOM 643 CB VAL A 49 -8.664 -2.280 -3.503 1.00 0.00 C ATOM 644 CG1 VAL A 49 -8.318 -1.020 -2.725 1.00 0.00 C ATOM 645 CG2 VAL A 49 -8.106 -2.214 -4.917 1.00 0.00 C ATOM 0 H VAL A 49 -6.159 -3.378 -3.452 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.583 -3.577 -1.779 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.750 -2.350 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.699 -0.148 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.771 -1.068 -1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.236 -0.940 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.489 -1.325 -5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.018 -2.168 -4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.411 -3.102 -5.470 1.00 0.00 H new ATOM 655 N SER A 50 -7.680 -5.171 -4.498 1.00 0.00 N ATOM 656 CA SER A 50 -7.944 -6.343 -5.325 1.00 0.00 C ATOM 657 C SER A 50 -7.732 -7.628 -4.530 1.00 0.00 C ATOM 658 O SER A 50 -8.526 -8.564 -4.617 1.00 0.00 O ATOM 659 CB SER A 50 -7.039 -6.337 -6.558 1.00 0.00 C ATOM 660 OG SER A 50 -7.427 -7.341 -7.481 1.00 0.00 O ATOM 0 H SER A 50 -6.799 -4.700 -4.703 1.00 0.00 H new ATOM 0 HA SER A 50 -8.985 -6.303 -5.647 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.082 -5.360 -7.039 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.005 -6.498 -6.254 1.00 0.00 H new ATOM 0 HG SER A 50 -6.834 -7.315 -8.261 1.00 0.00 H new ATOM 666 N CYS A 51 -6.653 -7.664 -3.754 1.00 0.00 N ATOM 667 CA CYS A 51 -6.334 -8.833 -2.943 1.00 0.00 C ATOM 668 C CYS A 51 -6.472 -8.517 -1.457 1.00 0.00 C ATOM 669 O CYS A 51 -6.607 -9.419 -0.630 1.00 0.00 O ATOM 670 CB CYS A 51 -4.914 -9.316 -3.244 1.00 0.00 C ATOM 671 SG CYS A 51 -3.609 -8.149 -2.736 1.00 0.00 S ATOM 0 H CYS A 51 -5.985 -6.897 -3.670 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.040 -9.624 -3.195 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.751 -10.269 -2.740 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.824 -9.502 -4.314 1.00 0.00 H new ATOM 676 N MET A 52 -6.436 -7.231 -1.125 1.00 0.00 N ATOM 677 CA MET A 52 -6.559 -6.796 0.262 1.00 0.00 C ATOM 678 C MET A 52 -5.404 -7.330 1.103 1.00 0.00 C ATOM 679 O MET A 52 -5.609 -7.828 2.210 1.00 0.00 O ATOM 680 CB MET A 52 -7.892 -7.263 0.849 1.00 0.00 C ATOM 681 CG MET A 52 -9.100 -6.570 0.241 1.00 0.00 C ATOM 682 SD MET A 52 -10.657 -7.130 0.959 1.00 0.00 S ATOM 683 CE MET A 52 -11.178 -8.334 -0.260 1.00 0.00 C ATOM 0 H MET A 52 -6.323 -6.472 -1.797 1.00 0.00 H new ATOM 0 HA MET A 52 -6.525 -5.707 0.280 1.00 0.00 H new ATOM 0 HB2 MET A 52 -7.988 -8.339 0.701 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.887 -7.089 1.925 1.00 0.00 H new ATOM 0 HG2 MET A 52 -9.006 -5.493 0.382 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.114 -6.750 -0.834 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.130 -8.771 0.043 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.295 -7.845 -1.227 1.00 0.00 H new ATOM 0 HE3 MET A 52 -10.427 -9.120 -0.339 1.00 0.00 H new ATOM 693 N SER A 53 -4.191 -7.223 0.571 1.00 0.00 N ATOM 694 CA SER A 53 -3.004 -7.699 1.271 1.00 0.00 C ATOM 695 C SER A 53 -2.340 -6.566 2.048 1.00 0.00 C ATOM 696 O SER A 53 -2.699 -5.400 1.891 1.00 0.00 O ATOM 697 CB SER A 53 -2.009 -8.304 0.279 1.00 0.00 C ATOM 698 OG SER A 53 -1.502 -7.317 -0.601 1.00 0.00 O ATOM 0 H SER A 53 -4.004 -6.811 -0.343 1.00 0.00 H new ATOM 0 HA SER A 53 -3.314 -8.468 1.978 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.186 -8.769 0.822 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.497 -9.092 -0.295 1.00 0.00 H new ATOM 0 HG SER A 53 -2.009 -7.335 -1.440 1.00 0.00 H new ATOM 704 N GLU A 54 -1.371 -6.920 2.886 1.00 0.00 N ATOM 705 CA GLU A 54 -0.657 -5.933 3.688 1.00 0.00 C ATOM 706 C GLU A 54 0.391 -5.207 2.850 1.00 0.00 C ATOM 707 O GLU A 54 1.132 -5.827 2.088 1.00 0.00 O ATOM 708 CB GLU A 54 0.010 -6.605 4.889 1.00 0.00 C ATOM 709 CG GLU A 54 -0.975 -7.096 5.937 1.00 0.00 C ATOM 710 CD GLU A 54 -1.894 -8.181 5.411 1.00 0.00 C ATOM 711 OE1 GLU A 54 -1.465 -8.942 4.519 1.00 0.00 O ATOM 712 OE2 GLU A 54 -3.043 -8.269 5.893 1.00 0.00 O ATOM 0 H GLU A 54 -1.062 -7.882 3.027 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.381 -5.201 4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.605 -7.448 4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.699 -5.899 5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.425 -7.477 6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.574 -6.256 6.288 1.00 0.00 H new ATOM 719 N LYS A 55 0.448 -3.887 2.998 1.00 0.00 N ATOM 720 CA LYS A 55 1.405 -3.074 2.257 1.00 0.00 C ATOM 721 C LYS A 55 2.778 -3.110 2.920 1.00 0.00 C ATOM 722 O LYS A 55 2.913 -2.933 4.131 1.00 0.00 O ATOM 723 CB LYS A 55 0.910 -1.629 2.160 1.00 0.00 C ATOM 724 CG LYS A 55 1.897 -0.693 1.485 1.00 0.00 C ATOM 725 CD LYS A 55 1.313 0.698 1.305 1.00 0.00 C ATOM 726 CE LYS A 55 2.391 1.717 0.969 1.00 0.00 C ATOM 727 NZ LYS A 55 1.940 3.110 1.237 1.00 0.00 N ATOM 0 H LYS A 55 -0.158 -3.358 3.625 1.00 0.00 H new ATOM 0 HA LYS A 55 1.496 -3.488 1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.030 -1.612 1.608 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.698 -1.258 3.163 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.808 -0.632 2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.179 -1.099 0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.567 0.680 0.510 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.799 0.999 2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.286 1.506 1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.667 1.620 -0.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.703 3.774 0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.101 3.321 0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.700 3.210 2.244 1.00 0.00 H new ATOM 741 N PRO A 56 3.821 -3.343 2.111 1.00 0.00 N ATOM 742 CA PRO A 56 5.202 -3.405 2.598 1.00 0.00 C ATOM 743 C PRO A 56 5.724 -2.042 3.039 1.00 0.00 C ATOM 744 O PRO A 56 5.210 -1.005 2.620 1.00 0.00 O ATOM 745 CB PRO A 56 5.985 -3.909 1.383 1.00 0.00 C ATOM 746 CG PRO A 56 5.167 -3.497 0.208 1.00 0.00 C ATOM 747 CD PRO A 56 3.733 -3.564 0.657 1.00 0.00 C ATOM 0 HA PRO A 56 5.295 -4.043 3.477 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.982 -3.470 1.345 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.114 -4.991 1.416 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.428 -2.489 -0.115 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.342 -4.159 -0.640 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.123 -2.802 0.171 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.283 -4.529 0.424 1.00 0.00 H new ATOM 755 N GLY A 57 6.748 -2.050 3.887 1.00 0.00 N ATOM 756 CA GLY A 57 7.321 -0.808 4.370 1.00 0.00 C ATOM 757 C GLY A 57 8.265 -0.176 3.366 1.00 0.00 C ATOM 758 O GLY A 57 8.915 -0.903 2.616 1.00 0.00 O ATOM 0 H GLY A 57 7.191 -2.895 4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.519 -0.107 4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.858 -0.996 5.300 1.00 0.00 H new TER 762 GLY A 57 HETATM 763 ZN ZN A 201 -2.862 -6.673 -4.260 1.00 0.00 ZN