USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 572 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 66 ASN : amide:sc= -0.28 K(o=0.3,f=-12!) USER MOD Set 1.2: A 70 THR OG1 : rot -140:sc= 0.584 USER MOD Set 2.1: A 30 SER OG : rot 134:sc= 0.799 USER MOD Set 2.2: A 33 GLN : amide:sc= -1.11 K(o=-0.31,f=-3.9) USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= 1.01 USER MOD Set 3.2: A 12 TYR OH : rot 79:sc= 1.2 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0406 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.574 K(o=-0.57,f=-4.5!) USER MOD Single : A 11 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.26) USER MOD Single : A 13 THR OG1 : rot 110:sc= 0.0997 USER MOD Single : A 17 ASN : amide:sc= -0.102 K(o=-0.1,f=-11!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0717 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0478 USER MOD Single : A 41 THR OG1 : rot -24:sc= 0.566 USER MOD Single : A 45 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-1.5) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= -0.0328 (180deg=-0.177) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.601 K(o=-0.6,f=-2.4!) USER MOD Single : A 69 LYS NZ :NH3+ -140:sc= 0.0231 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0688 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.159 -1.019 -0.294 1.00 62.14 N ATOM 2 CA GLY A 1 2.667 0.337 -0.195 1.00 72.30 C ATOM 3 C GLY A 1 2.300 1.183 -1.398 1.00 22.14 C ATOM 4 O GLY A 1 3.175 1.686 -2.104 1.00 61.32 O ATOM 0 H1 GLY A 1 2.436 -1.556 0.552 1.00 62.14 H new ATOM 0 H2 GLY A 1 1.122 -0.997 -0.365 1.00 62.14 H new ATOM 0 H3 GLY A 1 2.554 -1.477 -1.140 1.00 62.14 H new ATOM 0 HA2 GLY A 1 2.273 0.804 0.708 1.00 72.30 H new ATOM 0 HA3 GLY A 1 3.752 0.309 -0.092 1.00 72.30 H new ATOM 10 N THR A 2 1.001 1.341 -1.635 1.00 31.43 N ATOM 11 CA THR A 2 0.520 2.129 -2.762 1.00 21.31 C ATOM 12 C THR A 2 0.306 3.584 -2.363 1.00 71.43 C ATOM 13 O THR A 2 0.165 3.916 -1.186 1.00 32.13 O ATOM 14 CB THR A 2 -0.798 1.563 -3.321 1.00 31.02 C ATOM 15 OG1 THR A 2 -1.552 0.947 -2.271 1.00 74.52 O ATOM 16 CG2 THR A 2 -0.528 0.548 -4.421 1.00 63.13 C ATOM 0 H THR A 2 0.263 0.933 -1.061 1.00 31.43 H new ATOM 0 HA THR A 2 1.286 2.076 -3.535 1.00 21.31 H new ATOM 0 HB THR A 2 -1.371 2.388 -3.743 1.00 31.02 H new ATOM 0 HG1 THR A 2 -2.389 0.591 -2.635 1.00 74.52 H new ATOM 0 HG21 THR A 2 -1.474 0.162 -4.800 1.00 63.13 H new ATOM 0 HG22 THR A 2 0.020 1.028 -5.232 1.00 63.13 H new ATOM 0 HG23 THR A 2 0.064 -0.274 -4.020 1.00 63.13 H new ATOM 24 N PRO A 3 0.281 4.475 -3.365 1.00 22.24 N ATOM 25 CA PRO A 3 0.082 5.911 -3.143 1.00 51.53 C ATOM 26 C PRO A 3 -1.335 6.237 -2.686 1.00 21.02 C ATOM 27 O PRO A 3 -2.302 5.633 -3.151 1.00 25.42 O ATOM 28 CB PRO A 3 0.355 6.525 -4.519 1.00 52.33 C ATOM 29 CG PRO A 3 0.061 5.430 -5.486 1.00 61.01 C ATOM 30 CD PRO A 3 0.441 4.152 -4.792 1.00 71.24 C ATOM 0 HA PRO A 3 0.729 6.294 -2.354 1.00 51.53 H new ATOM 0 HB2 PRO A 3 -0.280 7.393 -4.698 1.00 52.33 H new ATOM 0 HB3 PRO A 3 1.388 6.862 -4.604 1.00 52.33 H new ATOM 0 HG2 PRO A 3 -0.994 5.426 -5.762 1.00 61.01 H new ATOM 0 HG3 PRO A 3 0.631 5.559 -6.406 1.00 61.01 H new ATOM 0 HD2 PRO A 3 -0.204 3.326 -5.091 1.00 71.24 H new ATOM 0 HD3 PRO A 3 1.464 3.858 -5.025 1.00 71.24 H new ATOM 38 N SER A 4 -1.453 7.197 -1.773 1.00 53.30 N ATOM 39 CA SER A 4 -2.753 7.599 -1.251 1.00 1.23 C ATOM 40 C SER A 4 -2.759 9.084 -0.897 1.00 70.21 C ATOM 41 O SER A 4 -1.752 9.775 -1.051 1.00 72.45 O ATOM 42 CB SER A 4 -3.111 6.769 -0.018 1.00 45.22 C ATOM 43 OG SER A 4 -3.308 5.408 -0.360 1.00 21.10 O ATOM 0 H SER A 4 -0.664 7.710 -1.380 1.00 53.30 H new ATOM 0 HA SER A 4 -3.499 7.423 -2.027 1.00 1.23 H new ATOM 0 HB2 SER A 4 -2.315 6.850 0.722 1.00 45.22 H new ATOM 0 HB3 SER A 4 -4.016 7.166 0.442 1.00 45.22 H new ATOM 0 HG SER A 4 -3.534 4.898 0.446 1.00 21.10 H new ATOM 49 N ALA A 5 -3.902 9.567 -0.422 1.00 44.51 N ATOM 50 CA ALA A 5 -4.041 10.969 -0.044 1.00 71.53 C ATOM 51 C ALA A 5 -2.992 11.364 0.989 1.00 64.50 C ATOM 52 O ALA A 5 -2.632 12.536 1.105 1.00 75.23 O ATOM 53 CB ALA A 5 -5.439 11.236 0.491 1.00 50.33 C ATOM 0 H ALA A 5 -4.745 9.009 -0.290 1.00 44.51 H new ATOM 0 HA ALA A 5 -3.884 11.578 -0.935 1.00 71.53 H new ATOM 0 HB1 ALA A 5 -5.528 12.286 0.769 1.00 50.33 H new ATOM 0 HB2 ALA A 5 -6.174 11.001 -0.279 1.00 50.33 H new ATOM 0 HB3 ALA A 5 -5.619 10.612 1.367 1.00 50.33 H new ATOM 59 N ASP A 6 -2.507 10.381 1.741 1.00 73.12 N ATOM 60 CA ASP A 6 -1.499 10.628 2.765 1.00 73.34 C ATOM 61 C ASP A 6 -0.144 10.930 2.133 1.00 50.31 C ATOM 62 O ASP A 6 0.686 11.619 2.725 1.00 61.44 O ATOM 63 CB ASP A 6 -1.382 9.420 3.695 1.00 32.21 C ATOM 64 CG ASP A 6 -0.683 9.758 4.998 1.00 10.24 C ATOM 65 OD1 ASP A 6 -0.111 10.863 5.094 1.00 60.32 O1- ATOM 66 OD2 ASP A 6 -0.706 8.916 5.920 1.00 72.44 O ATOM 0 H ASP A 6 -2.796 9.406 1.660 1.00 73.12 H new ATOM 0 HA ASP A 6 -1.811 11.497 3.345 1.00 73.34 H new ATOM 0 HB2 ASP A 6 -2.378 9.033 3.910 1.00 32.21 H new ATOM 0 HB3 ASP A 6 -0.834 8.626 3.187 1.00 32.21 H new ATOM 71 N GLN A 7 0.071 10.410 0.928 1.00 61.34 N ATOM 72 CA GLN A 7 1.326 10.625 0.217 1.00 33.32 C ATOM 73 C GLN A 7 1.401 12.045 -0.337 1.00 30.12 C ATOM 74 O GLN A 7 2.489 12.584 -0.541 1.00 65.14 O ATOM 75 CB GLN A 7 1.472 9.612 -0.919 1.00 3.44 C ATOM 76 CG GLN A 7 2.034 8.272 -0.472 1.00 3.33 C ATOM 77 CD GLN A 7 3.523 8.326 -0.198 1.00 3.22 C ATOM 78 OE1 GLN A 7 3.973 9.010 0.723 1.00 64.11 O ATOM 79 NE2 GLN A 7 4.299 7.604 -0.998 1.00 43.14 N ATOM 0 H GLN A 7 -0.607 9.838 0.425 1.00 61.34 H new ATOM 0 HA GLN A 7 2.144 10.487 0.924 1.00 33.32 H new ATOM 0 HB2 GLN A 7 0.497 9.452 -1.379 1.00 3.44 H new ATOM 0 HB3 GLN A 7 2.122 10.031 -1.687 1.00 3.44 H new ATOM 0 HG2 GLN A 7 1.514 7.947 0.429 1.00 3.33 H new ATOM 0 HG3 GLN A 7 1.837 7.525 -1.241 1.00 3.33 H new ATOM 0 HE21 GLN A 7 3.884 7.052 -1.749 1.00 43.14 H new ATOM 0 HE22 GLN A 7 5.310 7.602 -0.862 1.00 43.14 H new ATOM 88 N VAL A 8 0.240 12.643 -0.580 1.00 11.23 N ATOM 89 CA VAL A 8 0.174 13.999 -1.110 1.00 70.32 C ATOM 90 C VAL A 8 -0.069 15.012 0.002 1.00 51.41 C ATOM 91 O VAL A 8 -0.591 16.102 -0.240 1.00 2.43 O ATOM 92 CB VAL A 8 -0.938 14.135 -2.166 1.00 23.21 C ATOM 93 CG1 VAL A 8 -0.590 13.339 -3.415 1.00 70.42 C ATOM 94 CG2 VAL A 8 -2.274 13.688 -1.594 1.00 21.21 C ATOM 0 H VAL A 8 -0.669 12.209 -0.418 1.00 11.23 H new ATOM 0 HA VAL A 8 1.137 14.203 -1.579 1.00 70.32 H new ATOM 0 HB VAL A 8 -1.022 15.185 -2.446 1.00 23.21 H new ATOM 0 HG11 VAL A 8 -1.388 13.448 -4.150 1.00 70.42 H new ATOM 0 HG12 VAL A 8 0.344 13.712 -3.836 1.00 70.42 H new ATOM 0 HG13 VAL A 8 -0.476 12.286 -3.156 1.00 70.42 H new ATOM 0 HG21 VAL A 8 -3.048 13.791 -2.354 1.00 21.21 H new ATOM 0 HG22 VAL A 8 -2.206 12.645 -1.284 1.00 21.21 H new ATOM 0 HG23 VAL A 8 -2.527 14.307 -0.733 1.00 21.21 H new ATOM 104 N ARG A 9 0.312 14.648 1.222 1.00 23.24 N ATOM 105 CA ARG A 9 0.135 15.526 2.373 1.00 13.23 C ATOM 106 C ARG A 9 1.142 16.671 2.343 1.00 52.15 C ATOM 107 O ARG A 9 1.956 16.773 1.425 1.00 24.40 O ATOM 108 CB ARG A 9 0.285 14.734 3.672 1.00 64.10 C ATOM 109 CG ARG A 9 -0.973 13.984 4.078 1.00 33.12 C ATOM 110 CD ARG A 9 -1.901 14.859 4.906 1.00 30.54 C ATOM 111 NE ARG A 9 -3.299 14.465 4.760 1.00 63.31 N ATOM 112 CZ ARG A 9 -4.322 15.251 5.077 1.00 44.51 C ATOM 113 NH1 ARG A 9 -4.103 16.470 5.555 1.00 13.12 N1+ ATOM 114 NH2 ARG A 9 -5.567 14.821 4.916 1.00 52.12 N ATOM 0 H ARG A 9 0.746 13.751 1.439 1.00 23.24 H new ATOM 0 HA ARG A 9 -0.869 15.948 2.326 1.00 13.23 H new ATOM 0 HB2 ARG A 9 1.102 14.021 3.561 1.00 64.10 H new ATOM 0 HB3 ARG A 9 0.565 15.417 4.474 1.00 64.10 H new ATOM 0 HG2 ARG A 9 -1.496 13.639 3.186 1.00 33.12 H new ATOM 0 HG3 ARG A 9 -0.700 13.097 4.650 1.00 33.12 H new ATOM 0 HD2 ARG A 9 -1.615 14.799 5.956 1.00 30.54 H new ATOM 0 HD3 ARG A 9 -1.784 15.900 4.603 1.00 30.54 H new ATOM 0 HE ARG A 9 -3.502 13.535 4.394 1.00 63.31 H new ATOM 0 HH11 ARG A 9 -3.148 16.805 5.680 1.00 13.12 H new ATOM 0 HH12 ARG A 9 -4.890 17.072 5.798 1.00 13.12 H new ATOM 0 HH21 ARG A 9 -5.740 13.885 4.548 1.00 52.12 H new ATOM 0 HH22 ARG A 9 -6.351 15.426 5.160 1.00 52.12 H new ATOM 128 N TYR A 10 1.080 17.532 3.353 1.00 14.33 N ATOM 129 CA TYR A 10 1.984 18.674 3.441 1.00 71.55 C ATOM 130 C TYR A 10 2.373 18.950 4.891 1.00 52.43 C ATOM 131 O TYR A 10 1.656 18.576 5.819 1.00 74.35 O ATOM 132 CB TYR A 10 1.334 19.915 2.830 1.00 34.44 C ATOM 133 CG TYR A 10 0.242 20.511 3.688 1.00 40.24 C ATOM 134 CD1 TYR A 10 0.539 21.426 4.689 1.00 21.35 C ATOM 135 CD2 TYR A 10 -1.090 20.160 3.496 1.00 40.41 C ATOM 136 CE1 TYR A 10 -0.456 21.973 5.476 1.00 1.11 C ATOM 137 CE2 TYR A 10 -2.091 20.703 4.277 1.00 61.22 C ATOM 138 CZ TYR A 10 -1.769 21.608 5.266 1.00 2.14 C ATOM 139 OH TYR A 10 -2.764 22.151 6.047 1.00 11.10 O ATOM 0 H TYR A 10 0.414 17.461 4.122 1.00 14.33 H new ATOM 0 HA TYR A 10 2.888 18.434 2.881 1.00 71.55 H new ATOM 0 HB2 TYR A 10 2.102 20.669 2.658 1.00 34.44 H new ATOM 0 HB3 TYR A 10 0.918 19.655 1.856 1.00 34.44 H new ATOM 0 HD1 TYR A 10 1.566 21.715 4.855 1.00 21.35 H new ATOM 0 HD2 TYR A 10 -1.346 19.451 2.723 1.00 40.41 H new ATOM 0 HE1 TYR A 10 -0.207 22.682 6.251 1.00 1.11 H new ATOM 0 HE2 TYR A 10 -3.121 20.420 4.114 1.00 61.22 H new ATOM 0 HH TYR A 10 -3.632 21.790 5.769 1.00 11.10 H new ATOM 149 N ASN A 11 3.512 19.610 5.076 1.00 42.23 N ATOM 150 CA ASN A 11 3.996 19.938 6.412 1.00 42.31 C ATOM 151 C ASN A 11 4.127 21.448 6.587 1.00 20.03 C ATOM 152 O ASN A 11 4.510 22.159 5.658 1.00 44.41 O ATOM 153 CB ASN A 11 5.345 19.263 6.667 1.00 13.35 C ATOM 154 CG ASN A 11 6.067 19.851 7.866 1.00 32.15 C ATOM 155 OD1 ASN A 11 5.545 19.849 8.981 1.00 50.24 O ATOM 156 ND2 ASN A 11 7.273 20.357 7.638 1.00 62.24 N ATOM 0 H ASN A 11 4.116 19.928 4.318 1.00 42.23 H new ATOM 0 HA ASN A 11 3.270 19.569 7.137 1.00 42.31 H new ATOM 0 HB2 ASN A 11 5.190 18.196 6.827 1.00 13.35 H new ATOM 0 HB3 ASN A 11 5.973 19.365 5.782 1.00 13.35 H new ATOM 0 HD21 ASN A 11 7.807 20.766 8.404 1.00 62.24 H new ATOM 0 HD22 ASN A 11 7.665 20.336 6.697 1.00 62.24 H new ATOM 163 N TYR A 12 3.811 21.929 7.784 1.00 45.02 N ATOM 164 CA TYR A 12 3.892 23.354 8.080 1.00 72.31 C ATOM 165 C TYR A 12 5.341 23.785 8.290 1.00 31.24 C ATOM 166 O TYR A 12 5.966 23.435 9.291 1.00 51.10 O ATOM 167 CB TYR A 12 3.064 23.686 9.322 1.00 11.32 C ATOM 168 CG TYR A 12 1.572 23.639 9.086 1.00 4.11 C ATOM 169 CD1 TYR A 12 0.947 24.579 8.274 1.00 5.04 C ATOM 170 CD2 TYR A 12 0.786 22.655 9.674 1.00 12.20 C ATOM 171 CE1 TYR A 12 -0.416 24.540 8.056 1.00 33.01 C ATOM 172 CE2 TYR A 12 -0.578 22.609 9.460 1.00 33.51 C ATOM 173 CZ TYR A 12 -1.174 23.553 8.650 1.00 53.13 C ATOM 174 OH TYR A 12 -2.534 23.509 8.436 1.00 31.24 O ATOM 0 H TYR A 12 3.496 21.353 8.565 1.00 45.02 H new ATOM 0 HA TYR A 12 3.489 23.900 7.227 1.00 72.31 H new ATOM 0 HB2 TYR A 12 3.320 22.985 10.117 1.00 11.32 H new ATOM 0 HB3 TYR A 12 3.336 24.681 9.674 1.00 11.32 H new ATOM 0 HD1 TYR A 12 1.538 25.353 7.806 1.00 5.04 H new ATOM 0 HD2 TYR A 12 1.249 21.914 10.309 1.00 12.20 H new ATOM 0 HE1 TYR A 12 -0.886 25.279 7.424 1.00 33.01 H new ATOM 0 HE2 TYR A 12 -1.175 21.838 9.925 1.00 33.51 H new ATOM 0 HH TYR A 12 -2.714 23.110 7.559 1.00 31.24 H new ATOM 184 N THR A 13 5.869 24.548 7.338 1.00 52.44 N ATOM 185 CA THR A 13 7.242 25.027 7.417 1.00 21.44 C ATOM 186 C THR A 13 7.290 26.546 7.532 1.00 1.51 C ATOM 187 O THR A 13 6.282 27.224 7.334 1.00 61.40 O ATOM 188 CB THR A 13 8.061 24.591 6.186 1.00 0.51 C ATOM 189 OG1 THR A 13 7.566 25.244 5.013 1.00 12.51 O ATOM 190 CG2 THR A 13 7.995 23.083 5.999 1.00 33.31 C ATOM 0 H THR A 13 5.365 24.847 6.503 1.00 52.44 H new ATOM 0 HA THR A 13 7.679 24.584 8.312 1.00 21.44 H new ATOM 0 HB THR A 13 9.100 24.876 6.349 1.00 0.51 H new ATOM 0 HG1 THR A 13 8.221 25.904 4.705 1.00 12.51 H new ATOM 0 HG21 THR A 13 8.580 22.799 5.124 1.00 33.31 H new ATOM 0 HG22 THR A 13 8.399 22.589 6.882 1.00 33.31 H new ATOM 0 HG23 THR A 13 6.958 22.779 5.856 1.00 33.31 H new ATOM 198 N GLU A 14 8.466 27.074 7.854 1.00 33.12 N ATOM 199 CA GLU A 14 8.643 28.516 7.995 1.00 45.32 C ATOM 200 C GLU A 14 9.186 29.126 6.707 1.00 72.14 C ATOM 201 O GLU A 14 9.909 28.474 5.953 1.00 2.41 O ATOM 202 CB GLU A 14 9.591 28.823 9.157 1.00 43.44 C ATOM 203 CG GLU A 14 8.971 29.703 10.230 1.00 35.42 C ATOM 204 CD GLU A 14 9.981 30.155 11.267 1.00 64.44 C ATOM 205 OE1 GLU A 14 10.991 29.445 11.462 1.00 12.22 O ATOM 206 OE2 GLU A 14 9.761 31.217 11.886 1.00 31.43 O1- ATOM 0 H GLU A 14 9.310 26.527 8.022 1.00 33.12 H new ATOM 0 HA GLU A 14 7.669 28.958 8.203 1.00 45.32 H new ATOM 0 HB2 GLU A 14 9.914 27.885 9.609 1.00 43.44 H new ATOM 0 HB3 GLU A 14 10.483 29.313 8.768 1.00 43.44 H new ATOM 0 HG2 GLU A 14 8.520 30.578 9.762 1.00 35.42 H new ATOM 0 HG3 GLU A 14 8.168 29.156 10.724 1.00 35.42 H new ATOM 213 N LEU A 15 8.829 30.382 6.458 1.00 31.01 N ATOM 214 CA LEU A 15 9.280 31.082 5.260 1.00 75.52 C ATOM 215 C LEU A 15 10.081 32.327 5.626 1.00 52.53 C ATOM 216 O LEU A 15 9.977 32.859 6.731 1.00 52.44 O ATOM 217 CB LEU A 15 8.081 31.471 4.392 1.00 45.14 C ATOM 218 CG LEU A 15 7.539 30.378 3.470 1.00 61.13 C ATOM 219 CD1 LEU A 15 6.154 30.748 2.962 1.00 24.13 C ATOM 220 CD2 LEU A 15 8.490 30.143 2.305 1.00 34.00 C ATOM 0 H LEU A 15 8.229 30.936 7.069 1.00 31.01 H new ATOM 0 HA LEU A 15 9.926 30.409 4.697 1.00 75.52 H new ATOM 0 HB2 LEU A 15 7.274 31.799 5.047 1.00 45.14 H new ATOM 0 HB3 LEU A 15 8.363 32.328 3.780 1.00 45.14 H new ATOM 0 HG LEU A 15 7.460 29.453 4.041 1.00 61.13 H new ATOM 0 HD11 LEU A 15 5.784 29.959 2.307 1.00 24.13 H new ATOM 0 HD12 LEU A 15 5.476 30.866 3.807 1.00 24.13 H new ATOM 0 HD13 LEU A 15 6.208 31.684 2.407 1.00 24.13 H new ATOM 0 HD21 LEU A 15 8.088 29.362 1.659 1.00 34.00 H new ATOM 0 HD22 LEU A 15 8.601 31.065 1.734 1.00 34.00 H new ATOM 0 HD23 LEU A 15 9.463 29.834 2.686 1.00 34.00 H new ATOM 232 N PRO A 16 10.900 32.804 4.676 1.00 52.33 N ATOM 233 CA PRO A 16 11.733 33.994 4.875 1.00 73.22 C ATOM 234 C PRO A 16 10.909 35.274 4.945 1.00 42.24 C ATOM 235 O PRO A 16 11.388 36.307 5.411 1.00 30.55 O ATOM 236 CB PRO A 16 12.635 34.004 3.637 1.00 54.14 C ATOM 237 CG PRO A 16 11.863 33.267 2.599 1.00 53.42 C ATOM 238 CD PRO A 16 11.074 32.219 3.337 1.00 70.53 C ATOM 0 HA PRO A 16 12.279 33.957 5.818 1.00 73.22 H new ATOM 0 HB2 PRO A 16 12.856 35.022 3.317 1.00 54.14 H new ATOM 0 HB3 PRO A 16 13.590 33.519 3.839 1.00 54.14 H new ATOM 0 HG2 PRO A 16 11.202 33.940 2.052 1.00 53.42 H new ATOM 0 HG3 PRO A 16 12.530 32.811 1.867 1.00 53.42 H new ATOM 0 HD2 PRO A 16 10.116 32.024 2.856 1.00 70.53 H new ATOM 0 HD3 PRO A 16 11.608 31.270 3.379 1.00 70.53 H new ATOM 246 N ASN A 17 9.667 35.199 4.481 1.00 3.13 N ATOM 247 CA ASN A 17 8.776 36.352 4.490 1.00 21.43 C ATOM 248 C ASN A 17 8.122 36.524 5.859 1.00 30.55 C ATOM 249 O ASN A 17 7.426 37.507 6.108 1.00 12.42 O ATOM 250 CB ASN A 17 7.698 36.201 3.414 1.00 30.03 C ATOM 251 CG ASN A 17 6.808 34.997 3.652 1.00 50.24 C ATOM 252 OD1 ASN A 17 7.008 34.243 4.604 1.00 12.44 O ATOM 253 ND2 ASN A 17 5.819 34.812 2.786 1.00 24.23 N ATOM 0 H ASN A 17 9.254 34.351 4.093 1.00 3.13 H new ATOM 0 HA ASN A 17 9.371 37.240 4.276 1.00 21.43 H new ATOM 0 HB2 ASN A 17 7.086 37.102 3.388 1.00 30.03 H new ATOM 0 HB3 ASN A 17 8.174 36.110 2.437 1.00 30.03 H new ATOM 0 HD21 ASN A 17 5.187 34.019 2.895 1.00 24.23 H new ATOM 0 HD22 ASN A 17 5.691 35.463 2.011 1.00 24.23 H new ATOM 260 N GLY A 18 8.353 35.558 6.743 1.00 75.24 N ATOM 261 CA GLY A 18 7.781 35.620 8.075 1.00 63.13 C ATOM 262 C GLY A 18 6.618 34.665 8.252 1.00 23.55 C ATOM 263 O GLY A 18 6.316 34.246 9.369 1.00 61.41 O ATOM 0 H GLY A 18 8.926 34.734 6.560 1.00 75.24 H new ATOM 0 HA2 GLY A 18 8.552 35.388 8.809 1.00 63.13 H new ATOM 0 HA3 GLY A 18 7.445 36.637 8.276 1.00 63.13 H new ATOM 267 N GLU A 19 5.964 34.320 7.147 1.00 64.42 N ATOM 268 CA GLU A 19 4.825 33.409 7.187 1.00 70.10 C ATOM 269 C GLU A 19 5.291 31.956 7.214 1.00 45.33 C ATOM 270 O GLU A 19 6.490 31.679 7.269 1.00 50.13 O ATOM 271 CB GLU A 19 3.915 33.642 5.979 1.00 2.11 C ATOM 272 CG GLU A 19 3.658 35.110 5.686 1.00 53.05 C ATOM 273 CD GLU A 19 2.223 35.380 5.274 1.00 73.31 C ATOM 274 OE1 GLU A 19 1.534 34.424 4.860 1.00 52.10 O1- ATOM 275 OE2 GLU A 19 1.789 36.547 5.368 1.00 64.10 O ATOM 0 H GLU A 19 6.203 34.657 6.214 1.00 64.42 H new ATOM 0 HA GLU A 19 4.264 33.609 8.100 1.00 70.10 H new ATOM 0 HB2 GLU A 19 4.365 33.178 5.101 1.00 2.11 H new ATOM 0 HB3 GLU A 19 2.962 33.142 6.151 1.00 2.11 H new ATOM 0 HG2 GLU A 19 3.895 35.700 6.571 1.00 53.05 H new ATOM 0 HG3 GLU A 19 4.328 35.441 4.893 1.00 53.05 H new ATOM 282 N TYR A 20 4.337 31.033 7.176 1.00 61.53 N ATOM 283 CA TYR A 20 4.648 29.610 7.199 1.00 34.14 C ATOM 284 C TYR A 20 4.675 29.036 5.786 1.00 55.31 C ATOM 285 O TYR A 20 5.731 28.663 5.274 1.00 31.44 O ATOM 286 CB TYR A 20 3.624 28.856 8.049 1.00 60.13 C ATOM 287 CG TYR A 20 4.096 28.573 9.458 1.00 60.13 C ATOM 288 CD1 TYR A 20 3.942 29.516 10.465 1.00 0.13 C ATOM 289 CD2 TYR A 20 4.697 27.362 9.778 1.00 15.40 C ATOM 290 CE1 TYR A 20 4.373 29.261 11.753 1.00 4.43 C ATOM 291 CE2 TYR A 20 5.130 27.098 11.063 1.00 61.50 C ATOM 292 CZ TYR A 20 4.966 28.051 12.048 1.00 52.13 C ATOM 293 OH TYR A 20 5.395 27.793 13.330 1.00 70.22 O ATOM 0 H TYR A 20 3.341 31.246 7.129 1.00 61.53 H new ATOM 0 HA TYR A 20 5.637 29.487 7.641 1.00 34.14 H new ATOM 0 HB2 TYR A 20 2.703 29.437 8.093 1.00 60.13 H new ATOM 0 HB3 TYR A 20 3.382 27.913 7.560 1.00 60.13 H new ATOM 0 HD1 TYR A 20 3.478 30.464 10.238 1.00 0.13 H new ATOM 0 HD2 TYR A 20 4.828 26.615 9.009 1.00 15.40 H new ATOM 0 HE1 TYR A 20 4.246 30.006 12.525 1.00 4.43 H new ATOM 0 HE2 TYR A 20 5.594 26.151 11.296 1.00 61.50 H new ATOM 0 HH TYR A 20 5.789 26.896 13.369 1.00 70.22 H new ATOM 303 N CYS A 21 3.505 28.966 5.160 1.00 45.41 N ATOM 304 CA CYS A 21 3.390 28.437 3.807 1.00 22.34 C ATOM 305 C CYS A 21 1.964 28.578 3.286 1.00 21.40 C ATOM 306 O CYS A 21 1.006 28.571 4.059 1.00 34.13 O ATOM 307 CB CYS A 21 3.814 26.967 3.772 1.00 14.31 C ATOM 308 SG CYS A 21 2.621 25.832 4.550 1.00 72.04 S ATOM 0 H CYS A 21 2.622 29.270 5.570 1.00 45.41 H new ATOM 0 HA CYS A 21 4.052 29.015 3.162 1.00 22.34 H new ATOM 0 HB2 CYS A 21 3.962 26.667 2.735 1.00 14.31 H new ATOM 0 HB3 CYS A 21 4.776 26.865 4.273 1.00 14.31 H new ATOM 313 N TYR A 22 1.830 28.706 1.970 1.00 73.41 N ATOM 314 CA TYR A 22 0.520 28.852 1.345 1.00 25.14 C ATOM 315 C TYR A 22 -0.131 27.490 1.121 1.00 21.32 C ATOM 316 O TYR A 22 0.428 26.626 0.444 1.00 14.24 O ATOM 317 CB TYR A 22 0.647 29.595 0.014 1.00 71.24 C ATOM 318 CG TYR A 22 0.743 31.096 0.166 1.00 53.20 C ATOM 319 CD1 TYR A 22 -0.125 31.787 1.001 1.00 71.22 C ATOM 320 CD2 TYR A 22 1.705 31.823 -0.525 1.00 33.03 C ATOM 321 CE1 TYR A 22 -0.041 33.159 1.141 1.00 43.51 C ATOM 322 CE2 TYR A 22 1.799 33.195 -0.390 1.00 75.54 C ATOM 323 CZ TYR A 22 0.922 33.858 0.444 1.00 12.31 C ATOM 324 OH TYR A 22 1.012 35.225 0.582 1.00 10.53 O ATOM 0 H TYR A 22 2.612 28.712 1.316 1.00 73.41 H new ATOM 0 HA TYR A 22 -0.113 29.431 2.017 1.00 25.14 H new ATOM 0 HB2 TYR A 22 1.531 29.234 -0.511 1.00 71.24 H new ATOM 0 HB3 TYR A 22 -0.214 29.356 -0.610 1.00 71.24 H new ATOM 0 HD1 TYR A 22 -0.879 31.243 1.550 1.00 71.22 H new ATOM 0 HD2 TYR A 22 2.392 31.306 -1.179 1.00 33.03 H new ATOM 0 HE1 TYR A 22 -0.726 33.681 1.793 1.00 43.51 H new ATOM 0 HE2 TYR A 22 2.553 33.745 -0.933 1.00 75.54 H new ATOM 0 HH TYR A 22 1.743 35.563 0.024 1.00 10.53 H new ATOM 334 N THR A 23 -1.315 27.306 1.694 1.00 31.22 N ATOM 335 CA THR A 23 -2.044 26.050 1.559 1.00 12.23 C ATOM 336 C THR A 23 -2.123 25.616 0.100 1.00 3.11 C ATOM 337 O THR A 23 -1.925 26.408 -0.821 1.00 50.51 O ATOM 338 CB THR A 23 -3.471 26.165 2.127 1.00 70.34 C ATOM 339 OG1 THR A 23 -3.873 27.538 2.170 1.00 51.01 O ATOM 340 CG2 THR A 23 -3.547 25.564 3.523 1.00 42.22 C ATOM 0 H THR A 23 -1.791 28.011 2.257 1.00 31.22 H new ATOM 0 HA THR A 23 -1.494 25.301 2.129 1.00 12.23 H new ATOM 0 HB THR A 23 -4.145 25.611 1.473 1.00 70.34 H new ATOM 0 HG1 THR A 23 -4.782 27.602 2.531 1.00 51.01 H new ATOM 0 HG21 THR A 23 -4.564 25.657 3.904 1.00 42.22 H new ATOM 0 HG22 THR A 23 -3.270 24.511 3.481 1.00 42.22 H new ATOM 0 HG23 THR A 23 -2.862 26.094 4.185 1.00 42.22 H new ATOM 348 N PRO A 24 -2.418 24.326 -0.119 1.00 10.51 N ATOM 349 CA PRO A 24 -2.532 23.756 -1.464 1.00 1.33 C ATOM 350 C PRO A 24 -3.761 24.267 -2.209 1.00 0.42 C ATOM 351 O PRO A 24 -4.748 24.668 -1.592 1.00 21.20 O ATOM 352 CB PRO A 24 -2.649 22.253 -1.206 1.00 42.41 C ATOM 353 CG PRO A 24 -3.214 22.149 0.169 1.00 13.41 C ATOM 354 CD PRO A 24 -2.667 23.323 0.932 1.00 22.44 C ATOM 0 HA PRO A 24 -1.685 24.028 -2.094 1.00 1.33 H new ATOM 0 HB2 PRO A 24 -3.299 21.775 -1.939 1.00 42.41 H new ATOM 0 HB3 PRO A 24 -1.678 21.763 -1.273 1.00 42.41 H new ATOM 0 HG2 PRO A 24 -4.304 22.172 0.146 1.00 13.41 H new ATOM 0 HG3 PRO A 24 -2.925 21.209 0.639 1.00 13.41 H new ATOM 0 HD2 PRO A 24 -3.378 23.686 1.674 1.00 22.44 H new ATOM 0 HD3 PRO A 24 -1.753 23.065 1.466 1.00 22.44 H new ATOM 362 N ARG A 25 -3.695 24.248 -3.536 1.00 41.50 N ATOM 363 CA ARG A 25 -4.804 24.709 -4.363 1.00 11.30 C ATOM 364 C ARG A 25 -5.029 26.207 -4.183 1.00 42.24 C ATOM 365 O ARG A 25 -6.104 26.724 -4.485 1.00 30.50 O ATOM 366 CB ARG A 25 -6.081 23.944 -4.013 1.00 71.35 C ATOM 367 CG ARG A 25 -5.875 22.445 -3.874 1.00 24.20 C ATOM 368 CD ARG A 25 -7.137 21.751 -3.384 1.00 13.12 C ATOM 369 NE ARG A 25 -7.278 21.837 -1.932 1.00 61.42 N ATOM 370 CZ ARG A 25 -6.647 21.036 -1.083 1.00 63.21 C ATOM 371 NH1 ARG A 25 -5.833 20.094 -1.538 1.00 60.40 N1+ ATOM 372 NH2 ARG A 25 -6.828 21.176 0.223 1.00 31.52 N ATOM 0 H ARG A 25 -2.885 23.918 -4.062 1.00 41.50 H new ATOM 0 HA ARG A 25 -4.551 24.520 -5.406 1.00 11.30 H new ATOM 0 HB2 ARG A 25 -6.484 24.335 -3.079 1.00 71.35 H new ATOM 0 HB3 ARG A 25 -6.828 24.129 -4.785 1.00 71.35 H new ATOM 0 HG2 ARG A 25 -5.579 22.027 -4.836 1.00 24.20 H new ATOM 0 HG3 ARG A 25 -5.059 22.252 -3.178 1.00 24.20 H new ATOM 0 HD2 ARG A 25 -8.007 22.202 -3.861 1.00 13.12 H new ATOM 0 HD3 ARG A 25 -7.116 20.704 -3.685 1.00 13.12 H new ATOM 0 HE ARG A 25 -7.896 22.553 -1.550 1.00 61.42 H new ATOM 0 HH11 ARG A 25 -5.691 19.984 -2.542 1.00 60.40 H new ATOM 0 HH12 ARG A 25 -5.349 19.479 -0.884 1.00 60.40 H new ATOM 0 HH21 ARG A 25 -7.453 21.900 0.576 1.00 31.52 H new ATOM 0 HH22 ARG A 25 -6.342 20.559 0.874 1.00 31.52 H new ATOM 386 N ARG A 26 -4.008 26.900 -3.687 1.00 23.54 N ATOM 387 CA ARG A 26 -4.096 28.337 -3.465 1.00 14.21 C ATOM 388 C ARG A 26 -3.178 29.092 -4.422 1.00 22.51 C ATOM 389 O ARG A 26 -2.121 28.593 -4.806 1.00 34.12 O ATOM 390 CB ARG A 26 -3.731 28.674 -2.018 1.00 32.13 C ATOM 391 CG ARG A 26 -4.721 29.607 -1.341 1.00 14.42 C ATOM 392 CD ARG A 26 -4.013 30.741 -0.615 1.00 12.23 C ATOM 393 NE ARG A 26 -4.958 31.667 0.004 1.00 53.14 N ATOM 394 CZ ARG A 26 -5.699 31.363 1.063 1.00 71.13 C ATOM 395 NH1 ARG A 26 -5.606 30.164 1.620 1.00 44.20 N1+ ATOM 396 NH2 ARG A 26 -6.535 32.261 1.570 1.00 33.14 N ATOM 0 H ARG A 26 -3.110 26.488 -3.432 1.00 23.54 H new ATOM 0 HA ARG A 26 -5.124 28.647 -3.655 1.00 14.21 H new ATOM 0 HB2 ARG A 26 -3.665 27.750 -1.444 1.00 32.13 H new ATOM 0 HB3 ARG A 26 -2.742 29.132 -1.999 1.00 32.13 H new ATOM 0 HG2 ARG A 26 -5.401 30.020 -2.086 1.00 14.42 H new ATOM 0 HG3 ARG A 26 -5.328 29.043 -0.633 1.00 14.42 H new ATOM 0 HD2 ARG A 26 -3.356 30.328 0.150 1.00 12.23 H new ATOM 0 HD3 ARG A 26 -3.381 31.284 -1.318 1.00 12.23 H new ATOM 0 HE ARG A 26 -5.054 32.599 -0.400 1.00 53.14 H new ATOM 0 HH11 ARG A 26 -4.964 29.471 1.235 1.00 44.20 H new ATOM 0 HH12 ARG A 26 -6.177 29.934 2.433 1.00 44.20 H new ATOM 0 HH21 ARG A 26 -6.609 33.186 1.146 1.00 33.14 H new ATOM 0 HH22 ARG A 26 -7.104 32.026 2.384 1.00 33.14 H new ATOM 410 N ARG A 27 -3.591 30.297 -4.802 1.00 50.31 N ATOM 411 CA ARG A 27 -2.807 31.120 -5.716 1.00 40.43 C ATOM 412 C ARG A 27 -1.468 31.501 -5.090 1.00 64.30 C ATOM 413 O ARG A 27 -1.416 32.006 -3.968 1.00 33.14 O ATOM 414 CB ARG A 27 -3.583 32.383 -6.093 1.00 5.30 C ATOM 415 CG ARG A 27 -2.791 33.350 -6.956 1.00 61.13 C ATOM 416 CD ARG A 27 -3.671 34.470 -7.489 1.00 24.42 C ATOM 417 NE ARG A 27 -2.962 35.312 -8.449 1.00 40.41 N ATOM 418 CZ ARG A 27 -3.338 36.549 -8.760 1.00 44.13 C ATOM 419 NH1 ARG A 27 -4.407 37.083 -8.188 1.00 21.21 N1+ ATOM 420 NH2 ARG A 27 -2.642 37.252 -9.645 1.00 21.32 N ATOM 0 H ARG A 27 -4.463 30.725 -4.491 1.00 50.31 H new ATOM 0 HA ARG A 27 -2.616 30.537 -6.617 1.00 40.43 H new ATOM 0 HB2 ARG A 27 -4.491 32.096 -6.623 1.00 5.30 H new ATOM 0 HB3 ARG A 27 -3.894 32.894 -5.182 1.00 5.30 H new ATOM 0 HG2 ARG A 27 -1.974 33.774 -6.373 1.00 61.13 H new ATOM 0 HG3 ARG A 27 -2.341 32.811 -7.790 1.00 61.13 H new ATOM 0 HD2 ARG A 27 -4.554 34.043 -7.964 1.00 24.42 H new ATOM 0 HD3 ARG A 27 -4.021 35.083 -6.658 1.00 24.42 H new ATOM 0 HE ARG A 27 -2.134 34.930 -8.906 1.00 40.41 H new ATOM 0 HH11 ARG A 27 -4.944 36.545 -7.507 1.00 21.21 H new ATOM 0 HH12 ARG A 27 -4.693 38.032 -8.428 1.00 21.21 H new ATOM 0 HH21 ARG A 27 -1.818 36.843 -10.087 1.00 21.32 H new ATOM 0 HH22 ARG A 27 -2.931 38.201 -9.883 1.00 21.32 H new ATOM 434 N CYS A 28 -0.388 31.257 -5.823 1.00 43.33 N ATOM 435 CA CYS A 28 0.952 31.574 -5.341 1.00 31.31 C ATOM 436 C CYS A 28 1.823 32.115 -6.472 1.00 63.13 C ATOM 437 O CYS A 28 1.546 31.886 -7.650 1.00 50.44 O ATOM 438 CB CYS A 28 1.604 30.332 -4.731 1.00 52.41 C ATOM 439 SG CYS A 28 1.643 28.889 -5.843 1.00 5.44 S ATOM 0 H CYS A 28 -0.414 30.841 -6.754 1.00 43.33 H new ATOM 0 HA CYS A 28 0.863 32.344 -4.574 1.00 31.31 H new ATOM 0 HB2 CYS A 28 2.624 30.578 -4.437 1.00 52.41 H new ATOM 0 HB3 CYS A 28 1.066 30.062 -3.822 1.00 52.41 H new ATOM 444 N THR A 29 2.879 32.834 -6.105 1.00 73.01 N ATOM 445 CA THR A 29 3.791 33.409 -7.087 1.00 32.12 C ATOM 446 C THR A 29 5.148 32.720 -7.047 1.00 33.55 C ATOM 447 O THR A 29 5.902 32.751 -8.020 1.00 51.13 O ATOM 448 CB THR A 29 3.986 34.919 -6.855 1.00 20.25 C ATOM 449 OG1 THR A 29 4.925 35.444 -7.801 1.00 30.25 O ATOM 450 CG2 THR A 29 4.480 35.190 -5.442 1.00 44.55 C ATOM 0 H THR A 29 3.124 33.032 -5.135 1.00 73.01 H new ATOM 0 HA THR A 29 3.339 33.255 -8.067 1.00 32.12 H new ATOM 0 HB THR A 29 3.022 35.411 -6.988 1.00 20.25 H new ATOM 0 HG1 THR A 29 5.042 36.405 -7.647 1.00 30.25 H new ATOM 0 HG21 THR A 29 4.610 36.263 -5.302 1.00 44.55 H new ATOM 0 HG22 THR A 29 3.751 34.816 -4.724 1.00 44.55 H new ATOM 0 HG23 THR A 29 5.434 34.685 -5.287 1.00 44.55 H new ATOM 458 N SER A 30 5.457 32.097 -5.913 1.00 63.54 N ATOM 459 CA SER A 30 6.728 31.401 -5.745 1.00 12.44 C ATOM 460 C SER A 30 6.509 29.996 -5.190 1.00 32.23 C ATOM 461 O SER A 30 5.676 29.789 -4.308 1.00 42.24 O ATOM 462 CB SER A 30 7.647 32.192 -4.813 1.00 1.42 C ATOM 463 OG SER A 30 7.494 33.587 -5.009 1.00 24.25 O ATOM 0 H SER A 30 4.845 32.060 -5.098 1.00 63.54 H new ATOM 0 HA SER A 30 7.200 31.317 -6.724 1.00 12.44 H new ATOM 0 HB2 SER A 30 7.423 31.941 -3.776 1.00 1.42 H new ATOM 0 HB3 SER A 30 8.684 31.908 -4.993 1.00 1.42 H new ATOM 0 HG SER A 30 7.420 34.033 -4.140 1.00 24.25 H new ATOM 469 N ALA A 31 7.262 29.036 -5.714 1.00 62.45 N ATOM 470 CA ALA A 31 7.153 27.651 -5.272 1.00 32.30 C ATOM 471 C ALA A 31 7.586 27.505 -3.817 1.00 10.12 C ATOM 472 O ALA A 31 7.004 26.726 -3.062 1.00 65.45 O ATOM 473 CB ALA A 31 7.984 26.743 -6.167 1.00 44.20 C ATOM 0 H ALA A 31 7.955 29.191 -6.446 1.00 62.45 H new ATOM 0 HA ALA A 31 6.107 27.353 -5.345 1.00 32.30 H new ATOM 0 HB1 ALA A 31 7.893 25.712 -5.825 1.00 44.20 H new ATOM 0 HB2 ALA A 31 7.626 26.817 -7.194 1.00 44.20 H new ATOM 0 HB3 ALA A 31 9.030 27.048 -6.124 1.00 44.20 H new ATOM 479 N ASP A 32 8.610 28.257 -3.431 1.00 12.20 N ATOM 480 CA ASP A 32 9.122 28.211 -2.066 1.00 73.45 C ATOM 481 C ASP A 32 8.002 28.455 -1.059 1.00 71.20 C ATOM 482 O ASP A 32 7.981 27.854 0.015 1.00 64.22 O ATOM 483 CB ASP A 32 10.230 29.249 -1.878 1.00 74.03 C ATOM 484 CG ASP A 32 11.158 28.903 -0.733 1.00 11.45 C ATOM 485 OD1 ASP A 32 11.493 27.709 -0.580 1.00 52.31 O ATOM 486 OD2 ASP A 32 11.553 29.825 0.012 1.00 51.42 O1- ATOM 0 H ASP A 32 9.103 28.906 -4.044 1.00 12.20 H new ATOM 0 HA ASP A 32 9.534 27.217 -1.891 1.00 73.45 H new ATOM 0 HB2 ASP A 32 10.808 29.330 -2.799 1.00 74.03 H new ATOM 0 HB3 ASP A 32 9.782 30.226 -1.696 1.00 74.03 H new ATOM 491 N GLN A 33 7.077 29.341 -1.413 1.00 13.05 N ATOM 492 CA GLN A 33 5.957 29.665 -0.537 1.00 61.53 C ATOM 493 C GLN A 33 5.010 28.477 -0.403 1.00 21.20 C ATOM 494 O GLN A 33 4.517 28.183 0.686 1.00 62.33 O ATOM 495 CB GLN A 33 5.198 30.880 -1.075 1.00 1.33 C ATOM 496 CG GLN A 33 5.942 32.192 -0.891 1.00 24.41 C ATOM 497 CD GLN A 33 5.742 33.143 -2.055 1.00 55.02 C ATOM 498 OE1 GLN A 33 6.694 33.755 -2.542 1.00 20.05 O ATOM 499 NE2 GLN A 33 4.501 33.273 -2.509 1.00 41.24 N ATOM 0 H GLN A 33 7.081 29.847 -2.299 1.00 13.05 H new ATOM 0 HA GLN A 33 6.355 29.901 0.450 1.00 61.53 H new ATOM 0 HB2 GLN A 33 4.997 30.732 -2.136 1.00 1.33 H new ATOM 0 HB3 GLN A 33 4.232 30.946 -0.574 1.00 1.33 H new ATOM 0 HG2 GLN A 33 5.604 32.672 0.028 1.00 24.41 H new ATOM 0 HG3 GLN A 33 7.006 31.988 -0.771 1.00 24.41 H new ATOM 0 HE21 GLN A 33 3.742 32.747 -2.076 1.00 41.24 H new ATOM 0 HE22 GLN A 33 4.307 33.899 -3.291 1.00 41.24 H new ATOM 508 N CYS A 34 4.758 27.798 -1.517 1.00 20.44 N ATOM 509 CA CYS A 34 3.869 26.643 -1.525 1.00 42.12 C ATOM 510 C CYS A 34 4.276 25.637 -0.452 1.00 14.23 C ATOM 511 O CYS A 34 5.432 25.220 -0.383 1.00 24.15 O ATOM 512 CB CYS A 34 3.883 25.972 -2.900 1.00 20.31 C ATOM 513 SG CYS A 34 3.004 24.377 -2.959 1.00 43.23 S ATOM 0 H CYS A 34 5.158 28.028 -2.427 1.00 20.44 H new ATOM 0 HA CYS A 34 2.859 26.991 -1.308 1.00 42.12 H new ATOM 0 HB2 CYS A 34 3.434 26.649 -3.627 1.00 20.31 H new ATOM 0 HB3 CYS A 34 4.918 25.816 -3.206 1.00 20.31 H new ATOM 518 N CYS A 35 3.317 25.251 0.383 1.00 63.44 N ATOM 519 CA CYS A 35 3.572 24.295 1.452 1.00 62.12 C ATOM 520 C CYS A 35 4.266 23.047 0.912 1.00 75.41 C ATOM 521 O CYS A 35 3.868 22.498 -0.116 1.00 52.33 O ATOM 522 CB CYS A 35 2.263 23.906 2.141 1.00 15.41 C ATOM 523 SG CYS A 35 1.453 25.275 3.029 1.00 54.35 S ATOM 0 H CYS A 35 2.355 25.587 0.339 1.00 63.44 H new ATOM 0 HA CYS A 35 4.230 24.770 2.180 1.00 62.12 H new ATOM 0 HB2 CYS A 35 1.574 23.514 1.393 1.00 15.41 H new ATOM 0 HB3 CYS A 35 2.462 23.098 2.845 1.00 15.41 H new ATOM 528 N ARG A 36 5.305 22.604 1.614 1.00 74.42 N ATOM 529 CA ARG A 36 6.055 21.423 1.204 1.00 31.31 C ATOM 530 C ARG A 36 5.358 20.149 1.671 1.00 11.50 C ATOM 531 O ARG A 36 4.533 20.162 2.585 1.00 64.44 O ATOM 532 CB ARG A 36 7.476 21.476 1.767 1.00 74.21 C ATOM 533 CG ARG A 36 8.457 22.218 0.873 1.00 33.43 C ATOM 534 CD ARG A 36 8.338 23.723 1.046 1.00 52.41 C ATOM 535 NE ARG A 36 8.905 24.177 2.311 1.00 64.13 N ATOM 536 CZ ARG A 36 10.211 24.296 2.530 1.00 24.21 C ATOM 537 NH1 ARG A 36 11.077 23.995 1.574 1.00 61.22 N1+ ATOM 538 NH2 ARG A 36 10.650 24.716 3.710 1.00 13.25 N ATOM 0 H ARG A 36 5.646 23.045 2.468 1.00 74.42 H new ATOM 0 HA ARG A 36 6.103 21.412 0.115 1.00 31.31 H new ATOM 0 HB2 ARG A 36 7.453 21.957 2.745 1.00 74.21 H new ATOM 0 HB3 ARG A 36 7.835 20.458 1.921 1.00 74.21 H new ATOM 0 HG2 ARG A 36 9.474 21.903 1.107 1.00 33.43 H new ATOM 0 HG3 ARG A 36 8.273 21.955 -0.169 1.00 33.43 H new ATOM 0 HD2 ARG A 36 8.846 24.223 0.221 1.00 52.41 H new ATOM 0 HD3 ARG A 36 7.288 24.011 0.996 1.00 52.41 H new ATOM 0 HE ARG A 36 8.265 24.416 3.068 1.00 64.13 H new ATOM 0 HH11 ARG A 36 10.743 23.671 0.667 1.00 61.22 H new ATOM 0 HH12 ARG A 36 12.078 24.087 1.745 1.00 61.22 H new ATOM 0 HH21 ARG A 36 9.986 24.947 4.448 1.00 13.25 H new ATOM 0 HH22 ARG A 36 11.652 24.807 3.878 1.00 13.25 H new ATOM 552 N PRO A 37 5.697 19.020 1.031 1.00 2.54 N ATOM 553 CA PRO A 37 5.115 17.716 1.363 1.00 73.11 C ATOM 554 C PRO A 37 5.584 17.201 2.720 1.00 25.00 C ATOM 555 O PRO A 37 6.688 17.515 3.166 1.00 22.30 O ATOM 556 CB PRO A 37 5.623 16.804 0.242 1.00 11.35 C ATOM 557 CG PRO A 37 6.880 17.449 -0.229 1.00 4.20 C ATOM 558 CD PRO A 37 6.674 18.930 -0.068 1.00 42.10 C ATOM 0 HA PRO A 37 4.028 17.762 1.435 1.00 73.11 H new ATOM 0 HB2 PRO A 37 5.809 15.794 0.607 1.00 11.35 H new ATOM 0 HB3 PRO A 37 4.893 16.723 -0.564 1.00 11.35 H new ATOM 0 HG2 PRO A 37 7.735 17.109 0.355 1.00 4.20 H new ATOM 0 HG3 PRO A 37 7.083 17.194 -1.269 1.00 4.20 H new ATOM 0 HD2 PRO A 37 7.605 19.441 0.179 1.00 42.10 H new ATOM 0 HD3 PRO A 37 6.293 19.385 -0.983 1.00 42.10 H new ATOM 566 N TYR A 38 4.739 16.411 3.372 1.00 62.25 N ATOM 567 CA TYR A 38 5.066 15.854 4.680 1.00 14.44 C ATOM 568 C TYR A 38 6.416 15.145 4.647 1.00 34.42 C ATOM 569 O TYR A 38 7.117 15.074 5.657 1.00 11.41 O ATOM 570 CB TYR A 38 3.976 14.880 5.129 1.00 22.13 C ATOM 571 CG TYR A 38 3.930 14.671 6.626 1.00 14.52 C ATOM 572 CD1 TYR A 38 4.912 13.931 7.274 1.00 30.11 C ATOM 573 CD2 TYR A 38 2.907 15.213 7.392 1.00 41.20 C ATOM 574 CE1 TYR A 38 4.875 13.738 8.641 1.00 14.55 C ATOM 575 CE2 TYR A 38 2.862 15.027 8.760 1.00 22.03 C ATOM 576 CZ TYR A 38 3.847 14.287 9.380 1.00 53.42 C ATOM 577 OH TYR A 38 3.805 14.096 10.742 1.00 22.44 O ATOM 0 H TYR A 38 3.822 16.141 3.016 1.00 62.25 H new ATOM 0 HA TYR A 38 5.125 16.676 5.393 1.00 14.44 H new ATOM 0 HB2 TYR A 38 3.008 15.251 4.792 1.00 22.13 H new ATOM 0 HB3 TYR A 38 4.136 13.919 4.641 1.00 22.13 H new ATOM 0 HD1 TYR A 38 5.718 13.500 6.699 1.00 30.11 H new ATOM 0 HD2 TYR A 38 2.132 15.791 6.910 1.00 41.20 H new ATOM 0 HE1 TYR A 38 5.646 13.161 9.129 1.00 14.55 H new ATOM 0 HE2 TYR A 38 2.060 15.459 9.341 1.00 22.03 H new ATOM 0 HH TYR A 38 3.018 14.549 11.112 1.00 22.44 H new ATOM 587 N ASP A 39 6.775 14.622 3.479 1.00 32.30 N ATOM 588 CA ASP A 39 8.041 13.920 3.314 1.00 33.55 C ATOM 589 C ASP A 39 8.636 14.190 1.935 1.00 15.11 C ATOM 590 O ASP A 39 8.138 13.695 0.923 1.00 13.04 O ATOM 591 CB ASP A 39 7.845 12.417 3.513 1.00 24.25 C ATOM 592 CG ASP A 39 7.946 12.006 4.968 1.00 54.15 C ATOM 593 OD1 ASP A 39 9.051 12.115 5.540 1.00 23.30 O1- ATOM 594 OD2 ASP A 39 6.920 11.578 5.536 1.00 4.51 O ATOM 0 H ASP A 39 6.207 14.671 2.633 1.00 32.30 H new ATOM 0 HA ASP A 39 8.735 14.291 4.068 1.00 33.55 H new ATOM 0 HB2 ASP A 39 6.869 12.126 3.124 1.00 24.25 H new ATOM 0 HB3 ASP A 39 8.593 11.876 2.933 1.00 24.25 H new ATOM 599 N THR A 40 9.705 14.980 1.901 1.00 42.33 N ATOM 600 CA THR A 40 10.366 15.319 0.647 1.00 51.22 C ATOM 601 C THR A 40 10.847 14.065 -0.076 1.00 5.24 C ATOM 602 O THR A 40 11.032 14.071 -1.294 1.00 55.42 O ATOM 603 CB THR A 40 11.567 16.256 0.880 1.00 52.44 C ATOM 604 OG1 THR A 40 12.126 16.023 2.177 1.00 3.03 O ATOM 605 CG2 THR A 40 11.146 17.713 0.757 1.00 32.04 C ATOM 0 H THR A 40 10.131 15.397 2.728 1.00 42.33 H new ATOM 0 HA THR A 40 9.629 15.832 0.029 1.00 51.22 H new ATOM 0 HB THR A 40 12.318 16.045 0.119 1.00 52.44 H new ATOM 0 HG1 THR A 40 12.890 16.621 2.316 1.00 3.03 H new ATOM 0 HG21 THR A 40 12.009 18.357 0.925 1.00 32.04 H new ATOM 0 HG22 THR A 40 10.748 17.894 -0.241 1.00 32.04 H new ATOM 0 HG23 THR A 40 10.379 17.934 1.499 1.00 32.04 H new ATOM 613 N THR A 41 11.047 12.991 0.681 1.00 61.40 N ATOM 614 CA THR A 41 11.508 11.731 0.112 1.00 21.31 C ATOM 615 C THR A 41 10.346 10.935 -0.472 1.00 74.10 C ATOM 616 O THR A 41 10.548 9.895 -1.099 1.00 32.32 O ATOM 617 CB THR A 41 12.228 10.869 1.166 1.00 11.20 C ATOM 618 OG1 THR A 41 12.774 9.697 0.550 1.00 50.03 O ATOM 619 CG2 THR A 41 11.274 10.465 2.279 1.00 40.10 C ATOM 0 H THR A 41 10.897 12.969 1.690 1.00 61.40 H new ATOM 0 HA THR A 41 12.210 11.981 -0.683 1.00 21.31 H new ATOM 0 HB THR A 41 13.034 11.462 1.598 1.00 11.20 H new ATOM 0 HG1 THR A 41 12.275 9.495 -0.269 1.00 50.03 H new ATOM 0 HG21 THR A 41 11.806 9.857 3.011 1.00 40.10 H new ATOM 0 HG22 THR A 41 10.883 11.359 2.765 1.00 40.10 H new ATOM 0 HG23 THR A 41 10.449 9.889 1.860 1.00 40.10 H new ATOM 627 N ALA A 42 9.130 11.429 -0.261 1.00 33.42 N ATOM 628 CA ALA A 42 7.936 10.765 -0.768 1.00 33.24 C ATOM 629 C ALA A 42 7.201 11.647 -1.770 1.00 22.22 C ATOM 630 O ALA A 42 6.493 11.152 -2.646 1.00 41.33 O ATOM 631 CB ALA A 42 7.015 10.385 0.381 1.00 72.43 C ATOM 0 H ALA A 42 8.946 12.288 0.258 1.00 33.42 H new ATOM 0 HA ALA A 42 8.247 9.857 -1.284 1.00 33.24 H new ATOM 0 HB1 ALA A 42 6.127 9.890 -0.013 1.00 72.43 H new ATOM 0 HB2 ALA A 42 7.537 9.709 1.058 1.00 72.43 H new ATOM 0 HB3 ALA A 42 6.719 11.283 0.923 1.00 72.43 H new ATOM 637 N ALA A 43 7.374 12.958 -1.636 1.00 12.24 N ATOM 638 CA ALA A 43 6.727 13.910 -2.530 1.00 72.33 C ATOM 639 C ALA A 43 7.552 15.186 -2.662 1.00 51.10 C ATOM 640 O ALA A 43 8.570 15.353 -1.991 1.00 33.12 O ATOM 641 CB ALA A 43 5.326 14.235 -2.033 1.00 43.44 C ATOM 0 H ALA A 43 7.957 13.385 -0.916 1.00 12.24 H new ATOM 0 HA ALA A 43 6.653 13.451 -3.516 1.00 72.33 H new ATOM 0 HB1 ALA A 43 4.856 14.947 -2.711 1.00 43.44 H new ATOM 0 HB2 ALA A 43 4.732 13.322 -1.997 1.00 43.44 H new ATOM 0 HB3 ALA A 43 5.386 14.669 -1.035 1.00 43.44 H new ATOM 647 N PHE A 44 7.106 16.085 -3.535 1.00 14.41 N ATOM 648 CA PHE A 44 7.804 17.346 -3.757 1.00 61.30 C ATOM 649 C PHE A 44 6.837 18.524 -3.677 1.00 33.54 C ATOM 650 O PHE A 44 5.655 18.352 -3.380 1.00 25.14 O ATOM 651 CB PHE A 44 8.499 17.335 -5.119 1.00 4.30 C ATOM 652 CG PHE A 44 7.630 16.823 -6.233 1.00 44.33 C ATOM 653 CD1 PHE A 44 7.609 15.475 -6.548 1.00 14.45 C ATOM 654 CD2 PHE A 44 6.836 17.692 -6.963 1.00 25.23 C ATOM 655 CE1 PHE A 44 6.811 15.002 -7.572 1.00 52.44 C ATOM 656 CE2 PHE A 44 6.034 17.225 -7.987 1.00 31.10 C ATOM 657 CZ PHE A 44 6.021 15.878 -8.292 1.00 44.43 C ATOM 0 H PHE A 44 6.265 15.963 -4.099 1.00 14.41 H new ATOM 0 HA PHE A 44 8.554 17.460 -2.975 1.00 61.30 H new ATOM 0 HB2 PHE A 44 8.825 18.347 -5.359 1.00 4.30 H new ATOM 0 HB3 PHE A 44 9.395 16.718 -5.055 1.00 4.30 H new ATOM 0 HD1 PHE A 44 8.223 14.786 -5.987 1.00 14.45 H new ATOM 0 HD2 PHE A 44 6.844 18.746 -6.729 1.00 25.23 H new ATOM 0 HE1 PHE A 44 6.805 13.948 -7.810 1.00 52.44 H new ATOM 0 HE2 PHE A 44 5.418 17.912 -8.548 1.00 31.10 H new ATOM 0 HZ PHE A 44 5.395 15.510 -9.091 1.00 44.43 H new ATOM 667 N HIS A 45 7.350 19.721 -3.943 1.00 30.01 N ATOM 668 CA HIS A 45 6.534 20.930 -3.901 1.00 13.52 C ATOM 669 C HIS A 45 6.772 21.791 -5.138 1.00 32.25 C ATOM 670 O HIS A 45 7.702 21.545 -5.906 1.00 34.05 O ATOM 671 CB HIS A 45 6.838 21.733 -2.638 1.00 41.02 C ATOM 672 CG HIS A 45 8.138 22.477 -2.701 1.00 44.22 C ATOM 673 ND1 HIS A 45 9.359 21.882 -2.459 1.00 74.21 N ATOM 674 CD2 HIS A 45 8.403 23.775 -2.982 1.00 33.33 C ATOM 675 CE1 HIS A 45 10.317 22.780 -2.587 1.00 71.35 C ATOM 676 NE2 HIS A 45 9.765 23.937 -2.904 1.00 4.31 N ATOM 0 H HIS A 45 8.327 19.880 -4.190 1.00 30.01 H new ATOM 0 HA HIS A 45 5.486 20.630 -3.887 1.00 13.52 H new ATOM 0 HB2 HIS A 45 6.030 22.444 -2.465 1.00 41.02 H new ATOM 0 HB3 HIS A 45 6.856 21.057 -1.783 1.00 41.02 H new ATOM 0 HD2 HIS A 45 7.679 24.540 -3.222 1.00 33.33 H new ATOM 0 HE1 HIS A 45 11.374 22.599 -2.455 1.00 71.35 H new ATOM 0 HE2 HIS A 45 10.268 24.809 -3.065 1.00 4.31 H new ATOM 684 N GLY A 46 5.928 22.800 -5.323 1.00 15.53 N ATOM 685 CA GLY A 46 6.064 23.681 -6.469 1.00 51.15 C ATOM 686 C GLY A 46 4.764 24.375 -6.824 1.00 30.33 C ATOM 687 O GLY A 46 3.683 23.913 -6.455 1.00 1.11 O ATOM 0 H GLY A 46 5.152 23.024 -4.700 1.00 15.53 H new ATOM 0 HA2 GLY A 46 6.827 24.431 -6.259 1.00 51.15 H new ATOM 0 HA3 GLY A 46 6.411 23.105 -7.327 1.00 51.15 H new ATOM 691 N CYS A 47 4.868 25.490 -7.542 1.00 73.31 N ATOM 692 CA CYS A 47 3.692 26.251 -7.945 1.00 12.40 C ATOM 693 C CYS A 47 3.403 26.056 -9.431 1.00 61.22 C ATOM 694 O CYS A 47 4.240 26.356 -10.282 1.00 61.52 O ATOM 695 CB CYS A 47 3.893 27.737 -7.643 1.00 0.44 C ATOM 696 SG CYS A 47 3.516 28.204 -5.924 1.00 52.01 S ATOM 0 H CYS A 47 5.754 25.885 -7.856 1.00 73.31 H new ATOM 0 HA CYS A 47 2.838 25.884 -7.375 1.00 12.40 H new ATOM 0 HB2 CYS A 47 4.927 28.005 -7.863 1.00 0.44 H new ATOM 0 HB3 CYS A 47 3.263 28.321 -8.313 1.00 0.44 H new ATOM 701 N GLY A 48 2.210 25.553 -9.735 1.00 51.40 N ATOM 702 CA GLY A 48 1.831 25.328 -11.118 1.00 22.12 C ATOM 703 C GLY A 48 0.367 24.963 -11.266 1.00 74.05 C ATOM 704 O GLY A 48 -0.467 25.383 -10.464 1.00 74.34 O ATOM 0 H GLY A 48 1.500 25.298 -9.049 1.00 51.40 H new ATOM 0 HA2 GLY A 48 2.039 26.226 -11.699 1.00 22.12 H new ATOM 0 HA3 GLY A 48 2.445 24.530 -11.535 1.00 22.12 H new ATOM 708 N ARG A 49 0.054 24.183 -12.294 1.00 34.44 N ATOM 709 CA ARG A 49 -1.320 23.765 -12.546 1.00 43.42 C ATOM 710 C ARG A 49 -1.383 22.277 -12.879 1.00 72.42 C ATOM 711 O ARG A 49 -1.077 21.868 -14.000 1.00 32.25 O ATOM 712 CB ARG A 49 -1.921 24.580 -13.692 1.00 63.11 C ATOM 713 CG ARG A 49 -1.916 26.080 -13.442 1.00 51.12 C ATOM 714 CD ARG A 49 -1.814 26.861 -14.742 1.00 22.53 C ATOM 715 NE ARG A 49 -0.595 26.544 -15.478 1.00 64.14 N ATOM 716 CZ ARG A 49 -0.139 27.269 -16.495 1.00 64.40 C ATOM 717 NH1 ARG A 49 -0.799 28.347 -16.893 1.00 71.52 N1+ ATOM 718 NH2 ARG A 49 0.980 26.915 -17.114 1.00 63.11 N ATOM 0 H ARG A 49 0.733 23.827 -12.967 1.00 34.44 H new ATOM 0 HA ARG A 49 -1.899 23.942 -11.640 1.00 43.42 H new ATOM 0 HB2 ARG A 49 -1.365 24.371 -14.606 1.00 63.11 H new ATOM 0 HB3 ARG A 49 -2.947 24.252 -13.861 1.00 63.11 H new ATOM 0 HG2 ARG A 49 -2.827 26.365 -12.915 1.00 51.12 H new ATOM 0 HG3 ARG A 49 -1.079 26.339 -12.794 1.00 51.12 H new ATOM 0 HD2 ARG A 49 -2.681 26.641 -15.365 1.00 22.53 H new ATOM 0 HD3 ARG A 49 -1.839 27.929 -14.526 1.00 22.53 H new ATOM 0 HE ARG A 49 -0.063 25.720 -15.197 1.00 64.14 H new ATOM 0 HH11 ARG A 49 -1.659 28.622 -16.419 1.00 71.52 H new ATOM 0 HH12 ARG A 49 -0.447 28.901 -17.673 1.00 71.52 H new ATOM 0 HH21 ARG A 49 1.491 26.086 -16.810 1.00 63.11 H new ATOM 0 HH22 ARG A 49 1.329 27.472 -17.894 1.00 63.11 H new ATOM 732 N ILE A 50 -1.781 21.473 -11.899 1.00 45.20 N ATOM 733 CA ILE A 50 -1.885 20.031 -12.087 1.00 24.22 C ATOM 734 C ILE A 50 -3.318 19.621 -12.403 1.00 32.02 C ATOM 735 O ILE A 50 -3.693 18.460 -12.238 1.00 4.22 O ATOM 736 CB ILE A 50 -1.406 19.265 -10.840 1.00 43.24 C ATOM 737 CG1 ILE A 50 -2.149 19.755 -9.596 1.00 33.24 C ATOM 738 CG2 ILE A 50 0.097 19.426 -10.664 1.00 11.30 C ATOM 739 CD1 ILE A 50 -2.294 18.699 -8.523 1.00 33.13 C ATOM 0 H ILE A 50 -2.037 21.796 -10.966 1.00 45.20 H new ATOM 0 HA ILE A 50 -1.242 19.775 -12.929 1.00 24.22 H new ATOM 0 HB ILE A 50 -1.625 18.206 -10.977 1.00 43.24 H new ATOM 0 HG12 ILE A 50 -1.620 20.613 -9.181 1.00 33.24 H new ATOM 0 HG13 ILE A 50 -3.140 20.103 -9.888 1.00 33.24 H new ATOM 0 HG21 ILE A 50 0.420 18.879 -9.778 1.00 11.30 H new ATOM 0 HG22 ILE A 50 0.610 19.032 -11.541 1.00 11.30 H new ATOM 0 HG23 ILE A 50 0.338 20.482 -10.546 1.00 11.30 H new ATOM 0 HD11 ILE A 50 -2.830 19.117 -7.671 1.00 33.13 H new ATOM 0 HD12 ILE A 50 -2.850 17.850 -8.921 1.00 33.13 H new ATOM 0 HD13 ILE A 50 -1.306 18.368 -8.203 1.00 33.13 H new ATOM 751 N TRP A 51 -4.116 20.580 -12.859 1.00 65.10 N ATOM 752 CA TRP A 51 -5.510 20.317 -13.201 1.00 64.31 C ATOM 753 C TRP A 51 -6.000 21.286 -14.271 1.00 21.13 C ATOM 754 O TRP A 51 -5.470 22.384 -14.438 1.00 63.40 O ATOM 755 CB TRP A 51 -6.391 20.425 -11.954 1.00 25.32 C ATOM 756 CG TRP A 51 -6.176 19.310 -10.977 1.00 35.44 C ATOM 757 CD1 TRP A 51 -5.680 19.417 -9.708 1.00 65.11 C ATOM 758 CD2 TRP A 51 -6.448 17.921 -11.187 1.00 50.02 C ATOM 759 NE1 TRP A 51 -5.628 18.177 -9.119 1.00 72.11 N ATOM 760 CE2 TRP A 51 -6.095 17.242 -10.005 1.00 35.13 C ATOM 761 CE3 TRP A 51 -6.959 17.184 -12.259 1.00 1.24 C ATOM 762 CZ2 TRP A 51 -6.234 15.864 -9.867 1.00 0.23 C ATOM 763 CZ3 TRP A 51 -7.096 15.815 -12.120 1.00 32.24 C ATOM 764 CH2 TRP A 51 -6.735 15.167 -10.932 1.00 32.35 C ATOM 0 H TRP A 51 -3.822 21.546 -13.001 1.00 65.10 H new ATOM 0 HA TRP A 51 -5.577 19.304 -13.598 1.00 64.31 H new ATOM 0 HB2 TRP A 51 -6.193 21.376 -11.459 1.00 25.32 H new ATOM 0 HB3 TRP A 51 -7.438 20.436 -12.257 1.00 25.32 H new ATOM 0 HD1 TRP A 51 -5.374 20.340 -9.238 1.00 65.11 H new ATOM 0 HE1 TRP A 51 -5.295 17.984 -8.174 1.00 72.11 H new ATOM 0 HE3 TRP A 51 -7.242 17.675 -13.179 1.00 1.24 H new ATOM 0 HZ2 TRP A 51 -5.956 15.363 -8.952 1.00 0.23 H new ATOM 0 HZ3 TRP A 51 -7.488 15.235 -12.942 1.00 32.24 H new ATOM 0 HH2 TRP A 51 -6.854 14.096 -10.855 1.00 32.35 H new ATOM 775 N PRO A 52 -7.038 20.873 -15.014 1.00 33.22 N ATOM 776 CA PRO A 52 -7.623 21.691 -16.081 1.00 11.42 C ATOM 777 C PRO A 52 -8.368 22.904 -15.538 1.00 61.34 C ATOM 778 O PRO A 52 -8.385 23.967 -16.160 1.00 42.35 O ATOM 779 CB PRO A 52 -8.594 20.730 -16.772 1.00 73.34 C ATOM 780 CG PRO A 52 -8.947 19.731 -15.726 1.00 72.40 C ATOM 781 CD PRO A 52 -7.719 19.575 -14.870 1.00 33.43 C ATOM 0 HA PRO A 52 -6.862 22.100 -16.746 1.00 11.42 H new ATOM 0 HB2 PRO A 52 -9.479 21.254 -17.134 1.00 73.34 H new ATOM 0 HB3 PRO A 52 -8.131 20.252 -17.635 1.00 73.34 H new ATOM 0 HG2 PRO A 52 -9.796 20.071 -15.132 1.00 72.40 H new ATOM 0 HG3 PRO A 52 -9.233 18.780 -16.175 1.00 72.40 H new ATOM 0 HD2 PRO A 52 -7.976 19.369 -13.831 1.00 33.43 H new ATOM 0 HD3 PRO A 52 -7.092 18.752 -15.212 1.00 33.43 H new ATOM 789 N LYS A 53 -8.985 22.741 -14.372 1.00 42.35 N ATOM 790 CA LYS A 53 -9.732 23.824 -13.743 1.00 54.32 C ATOM 791 C LYS A 53 -8.843 25.044 -13.527 1.00 33.53 C ATOM 792 O LYS A 53 -9.319 26.181 -13.545 1.00 74.30 O ATOM 793 CB LYS A 53 -10.314 23.359 -12.406 1.00 22.44 C ATOM 794 CG LYS A 53 -11.708 22.770 -12.520 1.00 55.12 C ATOM 795 CD LYS A 53 -12.517 23.003 -11.255 1.00 65.22 C ATOM 796 CE LYS A 53 -12.854 24.475 -11.070 1.00 22.10 C ATOM 797 NZ LYS A 53 -13.880 24.680 -10.012 1.00 32.33 N1+ ATOM 0 H LYS A 53 -8.982 21.869 -13.843 1.00 42.35 H new ATOM 0 HA LYS A 53 -10.548 24.105 -14.409 1.00 54.32 H new ATOM 0 HB2 LYS A 53 -9.649 22.614 -11.970 1.00 22.44 H new ATOM 0 HB3 LYS A 53 -10.341 24.204 -11.718 1.00 22.44 H new ATOM 0 HG2 LYS A 53 -12.224 23.216 -13.370 1.00 55.12 H new ATOM 0 HG3 LYS A 53 -11.637 21.700 -12.716 1.00 55.12 H new ATOM 0 HD2 LYS A 53 -13.438 22.421 -11.299 1.00 65.22 H new ATOM 0 HD3 LYS A 53 -11.955 22.646 -10.392 1.00 65.22 H new ATOM 0 HE2 LYS A 53 -11.949 25.025 -10.810 1.00 22.10 H new ATOM 0 HE3 LYS A 53 -13.217 24.886 -12.012 1.00 22.10 H new ATOM 0 HZ1 LYS A 53 -14.082 25.696 -9.916 1.00 32.33 H new ATOM 0 HZ2 LYS A 53 -14.752 24.176 -10.272 1.00 32.33 H new ATOM 0 HZ3 LYS A 53 -13.524 24.311 -9.107 1.00 32.33 H new ATOM 811 N ASP A 54 -7.553 24.802 -13.326 1.00 52.15 N ATOM 812 CA ASP A 54 -6.598 25.884 -13.109 1.00 1.22 C ATOM 813 C ASP A 54 -6.208 26.537 -14.431 1.00 22.44 C ATOM 814 O ASP A 54 -5.873 27.721 -14.477 1.00 3.21 O ATOM 815 CB ASP A 54 -5.349 25.355 -12.399 1.00 23.13 C ATOM 816 CG ASP A 54 -4.809 26.332 -11.375 1.00 24.34 C ATOM 817 OD1 ASP A 54 -5.261 27.495 -11.368 1.00 70.21 O1- ATOM 818 OD2 ASP A 54 -3.932 25.933 -10.580 1.00 52.31 O ATOM 0 H ASP A 54 -7.144 23.868 -13.309 1.00 52.15 H new ATOM 0 HA ASP A 54 -7.074 26.636 -12.479 1.00 1.22 H new ATOM 0 HB2 ASP A 54 -5.586 24.412 -11.907 1.00 23.13 H new ATOM 0 HB3 ASP A 54 -4.576 25.144 -13.138 1.00 23.13 H new ATOM 823 N LYS A 55 -6.252 25.758 -15.506 1.00 0.11 N ATOM 824 CA LYS A 55 -5.904 26.260 -16.830 1.00 71.30 C ATOM 825 C LYS A 55 -6.911 27.304 -17.299 1.00 30.04 C ATOM 826 O LYS A 55 -6.534 28.378 -17.765 1.00 33.44 O ATOM 827 CB LYS A 55 -5.845 25.108 -17.835 1.00 4.34 C ATOM 828 CG LYS A 55 -4.629 25.155 -18.745 1.00 61.13 C ATOM 829 CD LYS A 55 -4.190 23.762 -19.163 1.00 32.24 C ATOM 830 CE LYS A 55 -2.842 23.791 -19.868 1.00 73.20 C ATOM 831 NZ LYS A 55 -2.676 22.637 -20.795 1.00 23.02 N1+ ATOM 0 H LYS A 55 -6.525 24.776 -15.486 1.00 0.11 H new ATOM 0 HA LYS A 55 -4.923 26.730 -16.766 1.00 71.30 H new ATOM 0 HB2 LYS A 55 -5.845 24.163 -17.292 1.00 4.34 H new ATOM 0 HB3 LYS A 55 -6.747 25.124 -18.447 1.00 4.34 H new ATOM 0 HG2 LYS A 55 -4.860 25.746 -19.631 1.00 61.13 H new ATOM 0 HG3 LYS A 55 -3.809 25.657 -18.232 1.00 61.13 H new ATOM 0 HD2 LYS A 55 -4.129 23.120 -18.285 1.00 32.24 H new ATOM 0 HD3 LYS A 55 -4.939 23.327 -19.825 1.00 32.24 H new ATOM 0 HE2 LYS A 55 -2.744 24.722 -20.426 1.00 73.20 H new ATOM 0 HE3 LYS A 55 -2.044 23.779 -19.126 1.00 73.20 H new ATOM 0 HZ1 LYS A 55 -1.745 22.693 -21.256 1.00 23.02 H new ATOM 0 HZ2 LYS A 55 -2.744 21.748 -20.259 1.00 23.02 H new ATOM 0 HZ3 LYS A 55 -3.423 22.663 -21.519 1.00 23.02 H new ATOM 845 N ARG A 56 -8.195 26.983 -17.168 1.00 42.23 N ATOM 846 CA ARG A 56 -9.256 27.895 -17.578 1.00 60.15 C ATOM 847 C ARG A 56 -9.142 29.227 -16.844 1.00 33.12 C ATOM 848 O ARG A 56 -9.641 30.249 -17.312 1.00 23.12 O ATOM 849 CB ARG A 56 -10.626 27.268 -17.310 1.00 63.23 C ATOM 850 CG ARG A 56 -10.886 26.974 -15.842 1.00 4.43 C ATOM 851 CD ARG A 56 -12.372 26.828 -15.558 1.00 71.40 C ATOM 852 NE ARG A 56 -12.888 25.534 -15.996 1.00 11.52 N ATOM 853 CZ ARG A 56 -14.034 25.015 -15.567 1.00 41.21 C ATOM 854 NH1 ARG A 56 -14.778 25.678 -14.692 1.00 51.32 N1+ ATOM 855 NH2 ARG A 56 -14.437 23.833 -16.013 1.00 63.40 N ATOM 0 H ARG A 56 -8.525 26.099 -16.781 1.00 42.23 H new ATOM 0 HA ARG A 56 -9.150 28.080 -18.647 1.00 60.15 H new ATOM 0 HB2 ARG A 56 -11.401 27.939 -17.680 1.00 63.23 H new ATOM 0 HB3 ARG A 56 -10.709 26.341 -17.877 1.00 63.23 H new ATOM 0 HG2 ARG A 56 -10.368 26.059 -15.556 1.00 4.43 H new ATOM 0 HG3 ARG A 56 -10.475 27.777 -15.231 1.00 4.43 H new ATOM 0 HD2 ARG A 56 -12.550 26.946 -14.489 1.00 71.40 H new ATOM 0 HD3 ARG A 56 -12.918 27.625 -16.062 1.00 71.40 H new ATOM 0 HE ARG A 56 -12.339 24.999 -16.668 1.00 11.52 H new ATOM 0 HH11 ARG A 56 -14.471 26.588 -14.347 1.00 51.32 H new ATOM 0 HH12 ARG A 56 -15.657 25.278 -14.364 1.00 51.32 H new ATOM 0 HH21 ARG A 56 -13.867 23.321 -16.686 1.00 63.40 H new ATOM 0 HH22 ARG A 56 -15.317 23.436 -15.683 1.00 63.40 H new ATOM 869 N GLU A 57 -8.483 29.205 -15.688 1.00 1.14 N ATOM 870 CA GLU A 57 -8.305 30.412 -14.890 1.00 73.50 C ATOM 871 C GLU A 57 -6.934 31.035 -15.141 1.00 75.12 C ATOM 872 O GLU A 57 -6.726 32.224 -14.903 1.00 65.11 O ATOM 873 CB GLU A 57 -8.467 30.094 -13.402 1.00 24.12 C ATOM 874 CG GLU A 57 -9.904 30.180 -12.914 1.00 62.23 C ATOM 875 CD GLU A 57 -10.103 31.268 -11.875 1.00 4.11 C ATOM 876 OE1 GLU A 57 -9.751 31.038 -10.700 1.00 34.10 O1- ATOM 877 OE2 GLU A 57 -10.611 32.348 -12.240 1.00 2.34 O ATOM 0 H GLU A 57 -8.065 28.366 -15.285 1.00 1.14 H new ATOM 0 HA GLU A 57 -9.070 31.129 -15.188 1.00 73.50 H new ATOM 0 HB2 GLU A 57 -8.086 29.091 -13.210 1.00 24.12 H new ATOM 0 HB3 GLU A 57 -7.854 30.784 -12.823 1.00 24.12 H new ATOM 0 HG2 GLU A 57 -10.561 30.369 -13.763 1.00 62.23 H new ATOM 0 HG3 GLU A 57 -10.198 29.220 -12.490 1.00 62.23 H new ATOM 884 N LYS A 58 -6.003 30.221 -15.626 1.00 50.53 N ATOM 885 CA LYS A 58 -4.652 30.690 -15.911 1.00 42.02 C ATOM 886 C LYS A 58 -4.023 31.326 -14.675 1.00 73.23 C ATOM 887 O LYS A 58 -3.724 32.521 -14.665 1.00 73.04 O ATOM 888 CB LYS A 58 -4.672 31.697 -17.063 1.00 61.50 C ATOM 889 CG LYS A 58 -5.171 31.113 -18.373 1.00 44.31 C ATOM 890 CD LYS A 58 -4.326 29.930 -18.814 1.00 22.35 C ATOM 891 CE LYS A 58 -2.872 30.330 -19.023 1.00 42.41 C ATOM 892 NZ LYS A 58 -2.729 31.368 -20.081 1.00 3.31 N1+ ATOM 0 H LYS A 58 -6.159 29.234 -15.830 1.00 50.53 H new ATOM 0 HA LYS A 58 -4.049 29.829 -16.200 1.00 42.02 H new ATOM 0 HB2 LYS A 58 -5.305 32.540 -16.786 1.00 61.50 H new ATOM 0 HB3 LYS A 58 -3.665 32.089 -17.210 1.00 61.50 H new ATOM 0 HG2 LYS A 58 -6.208 30.798 -18.260 1.00 44.31 H new ATOM 0 HG3 LYS A 58 -5.153 31.882 -19.145 1.00 44.31 H new ATOM 0 HD2 LYS A 58 -4.383 29.141 -18.064 1.00 22.35 H new ATOM 0 HD3 LYS A 58 -4.728 29.519 -19.740 1.00 22.35 H new ATOM 0 HE2 LYS A 58 -2.461 30.707 -18.087 1.00 42.41 H new ATOM 0 HE3 LYS A 58 -2.289 29.450 -19.296 1.00 42.41 H new ATOM 0 HZ1 LYS A 58 -1.724 31.479 -20.325 1.00 3.31 H new ATOM 0 HZ2 LYS A 58 -3.260 31.077 -20.926 1.00 3.31 H new ATOM 0 HZ3 LYS A 58 -3.103 32.274 -19.732 1.00 3.31 H new ATOM 906 N VAL A 59 -3.824 30.522 -13.637 1.00 2.35 N ATOM 907 CA VAL A 59 -3.230 31.007 -12.397 1.00 3.13 C ATOM 908 C VAL A 59 -2.474 29.894 -11.677 1.00 32.04 C ATOM 909 O VAL A 59 -3.046 28.854 -11.349 1.00 24.43 O ATOM 910 CB VAL A 59 -4.299 31.583 -11.450 1.00 0.14 C ATOM 911 CG1 VAL A 59 -5.385 30.554 -11.181 1.00 75.04 C ATOM 912 CG2 VAL A 59 -3.661 32.049 -10.149 1.00 61.33 C ATOM 0 H VAL A 59 -4.065 29.531 -13.629 1.00 2.35 H new ATOM 0 HA VAL A 59 -2.532 31.799 -12.669 1.00 3.13 H new ATOM 0 HB VAL A 59 -4.761 32.445 -11.932 1.00 0.14 H new ATOM 0 HG11 VAL A 59 -6.131 30.979 -10.510 1.00 75.04 H new ATOM 0 HG12 VAL A 59 -5.860 30.273 -12.121 1.00 75.04 H new ATOM 0 HG13 VAL A 59 -4.943 29.671 -10.719 1.00 75.04 H new ATOM 0 HG21 VAL A 59 -4.430 32.453 -9.491 1.00 61.33 H new ATOM 0 HG22 VAL A 59 -3.172 31.206 -9.661 1.00 61.33 H new ATOM 0 HG23 VAL A 59 -2.923 32.822 -10.362 1.00 61.33 H new ATOM 922 N ASP A 60 -1.189 30.120 -11.436 1.00 14.15 N ATOM 923 CA ASP A 60 -0.355 29.138 -10.753 1.00 22.51 C ATOM 924 C ASP A 60 -0.800 28.960 -9.304 1.00 13.20 C ATOM 925 O ASP A 60 -0.831 29.918 -8.533 1.00 44.21 O ATOM 926 CB ASP A 60 1.114 29.562 -10.801 1.00 60.44 C ATOM 927 CG ASP A 60 1.523 30.078 -12.165 1.00 44.41 C ATOM 928 OD1 ASP A 60 1.866 29.249 -13.035 1.00 43.53 O1- ATOM 929 OD2 ASP A 60 1.501 31.310 -12.366 1.00 45.21 O ATOM 0 H ASP A 60 -0.701 30.975 -11.703 1.00 14.15 H new ATOM 0 HA ASP A 60 -0.466 28.184 -11.268 1.00 22.51 H new ATOM 0 HB2 ASP A 60 1.290 30.337 -10.055 1.00 60.44 H new ATOM 0 HB3 ASP A 60 1.743 28.713 -10.533 1.00 60.44 H new ATOM 934 N ARG A 61 -1.143 27.728 -8.944 1.00 3.03 N ATOM 935 CA ARG A 61 -1.588 27.425 -7.588 1.00 14.00 C ATOM 936 C ARG A 61 -0.692 26.373 -6.945 1.00 1.23 C ATOM 937 O ARG A 61 -0.151 25.501 -7.625 1.00 63.34 O ATOM 938 CB ARG A 61 -3.038 26.938 -7.602 1.00 5.22 C ATOM 939 CG ARG A 61 -4.003 27.912 -8.258 1.00 53.15 C ATOM 940 CD ARG A 61 -4.860 28.627 -7.224 1.00 54.13 C ATOM 941 NE ARG A 61 -6.244 28.771 -7.667 1.00 11.11 N ATOM 942 CZ ARG A 61 -7.225 29.206 -6.882 1.00 44.10 C ATOM 943 NH1 ARG A 61 -6.973 29.538 -5.624 1.00 75.50 N1+ ATOM 944 NH2 ARG A 61 -8.459 29.310 -7.358 1.00 12.20 N ATOM 0 H ARG A 61 -1.122 26.924 -9.571 1.00 3.03 H new ATOM 0 HA ARG A 61 -1.525 28.339 -6.998 1.00 14.00 H new ATOM 0 HB2 ARG A 61 -3.086 25.984 -8.126 1.00 5.22 H new ATOM 0 HB3 ARG A 61 -3.361 26.755 -6.577 1.00 5.22 H new ATOM 0 HG2 ARG A 61 -3.443 28.645 -8.839 1.00 53.15 H new ATOM 0 HG3 ARG A 61 -4.645 27.375 -8.956 1.00 53.15 H new ATOM 0 HD2 ARG A 61 -4.835 28.072 -6.286 1.00 54.13 H new ATOM 0 HD3 ARG A 61 -4.439 29.612 -7.023 1.00 54.13 H new ATOM 0 HE ARG A 61 -6.470 28.525 -8.631 1.00 11.11 H new ATOM 0 HH11 ARG A 61 -6.025 29.460 -5.256 1.00 75.50 H new ATOM 0 HH12 ARG A 61 -7.727 29.871 -5.024 1.00 75.50 H new ATOM 0 HH21 ARG A 61 -8.655 29.056 -8.326 1.00 12.20 H new ATOM 0 HH22 ARG A 61 -9.212 29.644 -6.756 1.00 12.20 H new ATOM 958 N CYS A 62 -0.539 26.458 -5.627 1.00 42.04 N ATOM 959 CA CYS A 62 0.291 25.514 -4.889 1.00 0.35 C ATOM 960 C CYS A 62 -0.219 24.087 -5.068 1.00 41.03 C ATOM 961 O CYS A 62 -1.422 23.836 -5.015 1.00 41.35 O ATOM 962 CB CYS A 62 0.318 25.877 -3.404 1.00 62.15 C ATOM 963 SG CYS A 62 1.132 24.636 -2.348 1.00 73.51 S ATOM 0 H CYS A 62 -0.980 27.173 -5.048 1.00 42.04 H new ATOM 0 HA CYS A 62 1.304 25.571 -5.287 1.00 0.35 H new ATOM 0 HB2 CYS A 62 0.830 26.832 -3.284 1.00 62.15 H new ATOM 0 HB3 CYS A 62 -0.706 26.018 -3.057 1.00 62.15 H new ATOM 968 N TYR A 63 0.706 23.156 -5.276 1.00 45.52 N ATOM 969 CA TYR A 63 0.351 21.754 -5.464 1.00 14.20 C ATOM 970 C TYR A 63 1.420 20.839 -4.877 1.00 21.05 C ATOM 971 O TYR A 63 2.571 21.242 -4.701 1.00 3.33 O ATOM 972 CB TYR A 63 0.161 21.449 -6.950 1.00 45.41 C ATOM 973 CG TYR A 63 1.458 21.380 -7.724 1.00 52.45 C ATOM 974 CD1 TYR A 63 2.156 20.184 -7.841 1.00 1.01 C ATOM 975 CD2 TYR A 63 1.986 22.509 -8.338 1.00 72.13 C ATOM 976 CE1 TYR A 63 3.342 20.114 -8.548 1.00 53.34 C ATOM 977 CE2 TYR A 63 3.170 22.449 -9.046 1.00 13.22 C ATOM 978 CZ TYR A 63 3.844 21.250 -9.148 1.00 70.24 C ATOM 979 OH TYR A 63 5.025 21.188 -9.852 1.00 43.32 O ATOM 0 H TYR A 63 1.707 23.347 -5.319 1.00 45.52 H new ATOM 0 HA TYR A 63 -0.587 21.569 -4.940 1.00 14.20 H new ATOM 0 HB2 TYR A 63 -0.365 20.500 -7.053 1.00 45.41 H new ATOM 0 HB3 TYR A 63 -0.476 22.216 -7.391 1.00 45.41 H new ATOM 0 HD1 TYR A 63 1.765 19.294 -7.371 1.00 1.01 H new ATOM 0 HD2 TYR A 63 1.461 23.450 -8.260 1.00 72.13 H new ATOM 0 HE1 TYR A 63 3.872 19.176 -8.630 1.00 53.34 H new ATOM 0 HE2 TYR A 63 3.566 23.336 -9.517 1.00 13.22 H new ATOM 0 HH TYR A 63 5.238 22.074 -10.212 1.00 43.32 H new ATOM 989 N ILE A 64 1.033 19.603 -4.577 1.00 55.33 N ATOM 990 CA ILE A 64 1.958 18.629 -4.013 1.00 5.43 C ATOM 991 C ILE A 64 1.677 17.229 -4.549 1.00 12.54 C ATOM 992 O ILE A 64 0.608 16.665 -4.311 1.00 4.15 O ATOM 993 CB ILE A 64 1.880 18.604 -2.476 1.00 2.33 C ATOM 994 CG1 ILE A 64 2.228 19.978 -1.902 1.00 75.43 C ATOM 995 CG2 ILE A 64 2.810 17.537 -1.914 1.00 44.01 C ATOM 996 CD1 ILE A 64 2.090 20.058 -0.398 1.00 11.12 C ATOM 0 H ILE A 64 0.085 19.253 -4.715 1.00 55.33 H new ATOM 0 HA ILE A 64 2.960 18.935 -4.313 1.00 5.43 H new ATOM 0 HB ILE A 64 0.859 18.358 -2.184 1.00 2.33 H new ATOM 0 HG12 ILE A 64 3.252 20.229 -2.178 1.00 75.43 H new ATOM 0 HG13 ILE A 64 1.581 20.728 -2.358 1.00 75.43 H new ATOM 0 HG21 ILE A 64 2.743 17.532 -0.826 1.00 44.01 H new ATOM 0 HG22 ILE A 64 2.518 16.560 -2.300 1.00 44.01 H new ATOM 0 HG23 ILE A 64 3.835 17.754 -2.213 1.00 44.01 H new ATOM 0 HD11 ILE A 64 2.353 21.061 -0.061 1.00 11.12 H new ATOM 0 HD12 ILE A 64 1.061 19.838 -0.115 1.00 11.12 H new ATOM 0 HD13 ILE A 64 2.757 19.332 0.068 1.00 11.12 H new ATOM 1008 N CYS A 65 2.643 16.673 -5.271 1.00 21.21 N ATOM 1009 CA CYS A 65 2.501 15.337 -5.840 1.00 73.21 C ATOM 1010 C CYS A 65 3.588 14.404 -5.315 1.00 10.41 C ATOM 1011 O CYS A 65 4.659 14.850 -4.905 1.00 53.41 O ATOM 1012 CB CYS A 65 2.562 15.402 -7.368 1.00 24.12 C ATOM 1013 SG CYS A 65 1.212 16.358 -8.126 1.00 3.43 S ATOM 0 H CYS A 65 3.533 17.126 -5.477 1.00 21.21 H new ATOM 0 HA CYS A 65 1.531 14.941 -5.538 1.00 73.21 H new ATOM 0 HB2 CYS A 65 3.515 15.841 -7.664 1.00 24.12 H new ATOM 0 HB3 CYS A 65 2.542 14.387 -7.765 1.00 24.12 H new ATOM 1018 N ASN A 66 3.304 13.105 -5.330 1.00 44.32 N ATOM 1019 CA ASN A 66 4.256 12.108 -4.856 1.00 53.41 C ATOM 1020 C ASN A 66 5.409 11.944 -5.843 1.00 40.54 C ATOM 1021 O ASN A 66 5.325 12.385 -6.988 1.00 42.44 O ATOM 1022 CB ASN A 66 3.558 10.766 -4.642 1.00 4.34 C ATOM 1023 CG ASN A 66 2.976 10.205 -5.927 1.00 53.40 C ATOM 1024 OD1 ASN A 66 2.853 10.914 -6.926 1.00 23.11 O ATOM 1025 ND2 ASN A 66 2.615 8.927 -5.904 1.00 12.22 N ATOM 0 H ASN A 66 2.422 12.719 -5.666 1.00 44.32 H new ATOM 0 HA ASN A 66 4.662 12.453 -3.905 1.00 53.41 H new ATOM 0 HB2 ASN A 66 4.269 10.052 -4.226 1.00 4.34 H new ATOM 0 HB3 ASN A 66 2.761 10.887 -3.908 1.00 4.34 H new ATOM 0 HD21 ASN A 66 2.217 8.494 -6.738 1.00 12.22 H new ATOM 0 HD22 ASN A 66 2.736 8.378 -5.053 1.00 12.22 H new ATOM 1032 N ASN A 67 6.482 11.304 -5.390 1.00 11.55 N ATOM 1033 CA ASN A 67 7.651 11.081 -6.233 1.00 15.23 C ATOM 1034 C ASN A 67 7.276 10.297 -7.488 1.00 64.24 C ATOM 1035 O ASN A 67 7.897 10.453 -8.537 1.00 61.44 O ATOM 1036 CB ASN A 67 8.732 10.331 -5.453 1.00 20.14 C ATOM 1037 CG ASN A 67 9.657 11.267 -4.701 1.00 74.45 C ATOM 1038 OD1 ASN A 67 9.735 12.458 -5.005 1.00 73.43 O ATOM 1039 ND2 ASN A 67 10.364 10.732 -3.712 1.00 24.13 N ATOM 0 H ASN A 67 6.566 10.931 -4.444 1.00 11.55 H new ATOM 0 HA ASN A 67 8.040 12.053 -6.537 1.00 15.23 H new ATOM 0 HB2 ASN A 67 8.259 9.648 -4.748 1.00 20.14 H new ATOM 0 HB3 ASN A 67 9.317 9.723 -6.142 1.00 20.14 H new ATOM 0 HD21 ASN A 67 11.003 11.313 -3.170 1.00 24.13 H new ATOM 0 HD22 ASN A 67 10.268 9.740 -3.495 1.00 24.13 H new ATOM 1046 N GLU A 68 6.253 9.454 -7.368 1.00 2.34 N ATOM 1047 CA GLU A 68 5.796 8.646 -8.491 1.00 64.21 C ATOM 1048 C GLU A 68 4.952 9.478 -9.453 1.00 23.15 C ATOM 1049 O GLU A 68 4.621 9.034 -10.550 1.00 62.10 O ATOM 1050 CB GLU A 68 4.986 7.449 -7.991 1.00 13.03 C ATOM 1051 CG GLU A 68 5.631 6.722 -6.821 1.00 32.42 C ATOM 1052 CD GLU A 68 5.203 5.271 -6.727 1.00 43.55 C ATOM 1053 OE1 GLU A 68 4.241 4.892 -7.428 1.00 12.11 O ATOM 1054 OE2 GLU A 68 5.825 4.517 -5.952 1.00 63.23 O1- ATOM 0 H GLU A 68 5.727 9.314 -6.505 1.00 2.34 H new ATOM 0 HA GLU A 68 6.674 8.284 -9.025 1.00 64.21 H new ATOM 0 HB2 GLU A 68 3.995 7.791 -7.693 1.00 13.03 H new ATOM 0 HB3 GLU A 68 4.847 6.746 -8.813 1.00 13.03 H new ATOM 0 HG2 GLU A 68 6.715 6.771 -6.921 1.00 32.42 H new ATOM 0 HG3 GLU A 68 5.373 7.234 -5.894 1.00 32.42 H new ATOM 1061 N LYS A 69 4.607 10.691 -9.030 1.00 71.44 N ATOM 1062 CA LYS A 69 3.803 11.586 -9.852 1.00 40.30 C ATOM 1063 C LYS A 69 2.506 10.912 -10.284 1.00 12.13 C ATOM 1064 O LYS A 69 1.935 11.247 -11.323 1.00 32.33 O ATOM 1065 CB LYS A 69 4.595 12.032 -11.082 1.00 41.01 C ATOM 1066 CG LYS A 69 5.574 13.159 -10.801 1.00 21.00 C ATOM 1067 CD LYS A 69 6.218 13.669 -12.081 1.00 71.15 C ATOM 1068 CE LYS A 69 7.092 14.886 -11.816 1.00 4.11 C ATOM 1069 NZ LYS A 69 6.308 16.152 -11.867 1.00 61.00 N1+ ATOM 0 H LYS A 69 4.872 11.075 -8.123 1.00 71.44 H new ATOM 0 HA LYS A 69 3.553 12.461 -9.253 1.00 40.30 H new ATOM 0 HB2 LYS A 69 5.142 11.178 -11.480 1.00 41.01 H new ATOM 0 HB3 LYS A 69 3.898 12.353 -11.856 1.00 41.01 H new ATOM 0 HG2 LYS A 69 5.055 13.978 -10.302 1.00 21.00 H new ATOM 0 HG3 LYS A 69 6.348 12.809 -10.118 1.00 21.00 H new ATOM 0 HD2 LYS A 69 6.820 12.877 -12.528 1.00 71.15 H new ATOM 0 HD3 LYS A 69 5.443 13.926 -12.803 1.00 71.15 H new ATOM 0 HE2 LYS A 69 7.563 14.789 -10.838 1.00 4.11 H new ATOM 0 HE3 LYS A 69 7.894 14.925 -12.553 1.00 4.11 H new ATOM 0 HZ1 LYS A 69 6.867 16.887 -12.345 1.00 61.00 H new ATOM 0 HZ2 LYS A 69 5.425 15.992 -12.392 1.00 61.00 H new ATOM 0 HZ3 LYS A 69 6.084 16.461 -10.899 1.00 61.00 H new ATOM 1083 N THR A 70 2.043 9.958 -9.481 1.00 30.31 N ATOM 1084 CA THR A 70 0.813 9.236 -9.781 1.00 22.31 C ATOM 1085 C THR A 70 -0.370 9.827 -9.022 1.00 43.33 C ATOM 1086 O THR A 70 -1.481 9.906 -9.550 1.00 43.31 O ATOM 1087 CB THR A 70 0.939 7.743 -9.431 1.00 53.45 C ATOM 1088 OG1 THR A 70 1.055 7.580 -8.013 1.00 5.25 O ATOM 1089 CG2 THR A 70 2.148 7.125 -10.116 1.00 43.40 C ATOM 0 H THR A 70 2.502 9.668 -8.618 1.00 30.31 H new ATOM 0 HA THR A 70 0.640 9.337 -10.853 1.00 22.31 H new ATOM 0 HB THR A 70 0.042 7.234 -9.784 1.00 53.45 H new ATOM 0 HG1 THR A 70 1.712 6.880 -7.817 1.00 5.25 H new ATOM 0 HG21 THR A 70 2.215 6.069 -9.853 1.00 43.40 H new ATOM 0 HG22 THR A 70 2.044 7.224 -11.197 1.00 43.40 H new ATOM 0 HG23 THR A 70 3.053 7.638 -9.790 1.00 43.40 H new ATOM 1097 N LEU A 71 -0.126 10.241 -7.785 1.00 55.15 N ATOM 1098 CA LEU A 71 -1.172 10.826 -6.953 1.00 63.21 C ATOM 1099 C LEU A 71 -0.885 12.297 -6.671 1.00 74.32 C ATOM 1100 O LEU A 71 0.246 12.672 -6.363 1.00 71.24 O ATOM 1101 CB LEU A 71 -1.294 10.058 -5.637 1.00 51.23 C ATOM 1102 CG LEU A 71 -2.691 10.003 -5.017 1.00 34.13 C ATOM 1103 CD1 LEU A 71 -2.887 8.702 -4.254 1.00 32.00 C ATOM 1104 CD2 LEU A 71 -2.917 11.199 -4.105 1.00 23.13 C ATOM 0 H LEU A 71 0.787 10.183 -7.335 1.00 55.15 H new ATOM 0 HA LEU A 71 -2.114 10.756 -7.496 1.00 63.21 H new ATOM 0 HB2 LEU A 71 -0.952 9.036 -5.803 1.00 51.23 H new ATOM 0 HB3 LEU A 71 -0.615 10.508 -4.913 1.00 51.23 H new ATOM 0 HG LEU A 71 -3.426 10.041 -5.821 1.00 34.13 H new ATOM 0 HD11 LEU A 71 -3.887 8.682 -3.820 1.00 32.00 H new ATOM 0 HD12 LEU A 71 -2.770 7.859 -4.935 1.00 32.00 H new ATOM 0 HD13 LEU A 71 -2.145 8.631 -3.459 1.00 32.00 H new ATOM 0 HD21 LEU A 71 -3.916 11.143 -3.673 1.00 23.13 H new ATOM 0 HD22 LEU A 71 -2.175 11.193 -3.306 1.00 23.13 H new ATOM 0 HD23 LEU A 71 -2.822 12.119 -4.681 1.00 23.13 H new ATOM 1116 N CYS A 72 -1.918 13.127 -6.777 1.00 53.03 N ATOM 1117 CA CYS A 72 -1.778 14.558 -6.532 1.00 32.24 C ATOM 1118 C CYS A 72 -2.997 15.106 -5.798 1.00 44.23 C ATOM 1119 O CYS A 72 -4.058 14.478 -5.776 1.00 42.24 O ATOM 1120 CB CYS A 72 -1.587 15.306 -7.852 1.00 15.44 C ATOM 1121 SG CYS A 72 -0.065 14.853 -8.749 1.00 43.01 S ATOM 0 H CYS A 72 -2.861 12.833 -7.031 1.00 53.03 H new ATOM 0 HA CYS A 72 -0.899 14.709 -5.905 1.00 32.24 H new ATOM 0 HB2 CYS A 72 -2.446 15.113 -8.495 1.00 15.44 H new ATOM 0 HB3 CYS A 72 -1.573 16.377 -7.652 1.00 15.44 H new ATOM 1126 N THR A 73 -2.843 16.281 -5.197 1.00 61.13 N ATOM 1127 CA THR A 73 -3.930 16.913 -4.461 1.00 22.22 C ATOM 1128 C THR A 73 -5.154 17.107 -5.347 1.00 44.15 C ATOM 1129 O THR A 73 -5.045 17.578 -6.479 1.00 61.12 O ATOM 1130 CB THR A 73 -3.502 18.280 -3.890 1.00 35.12 C ATOM 1131 OG1 THR A 73 -2.442 18.830 -4.680 1.00 31.14 O ATOM 1132 CG2 THR A 73 -3.046 18.144 -2.445 1.00 55.11 C ATOM 0 H THR A 73 -1.974 16.815 -5.206 1.00 61.13 H new ATOM 0 HA THR A 73 -4.183 16.246 -3.637 1.00 22.22 H new ATOM 0 HB THR A 73 -4.363 18.948 -3.921 1.00 35.12 H new ATOM 0 HG1 THR A 73 -2.177 19.699 -4.312 1.00 31.14 H new ATOM 0 HG21 THR A 73 -2.749 19.121 -2.064 1.00 55.11 H new ATOM 0 HG22 THR A 73 -3.864 17.752 -1.841 1.00 55.11 H new ATOM 0 HG23 THR A 73 -2.198 17.461 -2.394 1.00 55.11 H new ATOM 1140 N SER A 74 -6.320 16.740 -4.826 1.00 30.10 N ATOM 1141 CA SER A 74 -7.567 16.871 -5.571 1.00 62.43 C ATOM 1142 C SER A 74 -7.754 18.299 -6.070 1.00 35.40 C ATOM 1143 O SER A 74 -7.299 19.255 -5.439 1.00 60.23 O ATOM 1144 CB SER A 74 -8.755 16.463 -4.698 1.00 23.42 C ATOM 1145 OG SER A 74 -9.937 16.345 -5.468 1.00 21.12 O ATOM 0 H SER A 74 -6.428 16.349 -3.890 1.00 30.10 H new ATOM 0 HA SER A 74 -7.516 16.207 -6.434 1.00 62.43 H new ATOM 0 HB2 SER A 74 -8.541 15.513 -4.208 1.00 23.42 H new ATOM 0 HB3 SER A 74 -8.903 17.202 -3.911 1.00 23.42 H new ATOM 0 HG SER A 74 -10.681 16.082 -4.887 1.00 21.12 H new ATOM 1151 N VAL A 75 -8.429 18.441 -7.206 1.00 55.43 N ATOM 1152 CA VAL A 75 -8.679 19.753 -7.790 1.00 11.13 C ATOM 1153 C VAL A 75 -9.509 20.621 -6.853 1.00 25.41 C ATOM 1154 O VAL A 75 -9.444 21.850 -6.906 1.00 24.22 O ATOM 1155 CB VAL A 75 -9.406 19.637 -9.143 1.00 13.53 C ATOM 1156 CG1 VAL A 75 -10.810 19.083 -8.949 1.00 14.01 C ATOM 1157 CG2 VAL A 75 -9.447 20.986 -9.844 1.00 0.01 C ATOM 0 H VAL A 75 -8.813 17.662 -7.741 1.00 55.43 H new ATOM 0 HA VAL A 75 -7.707 20.219 -7.948 1.00 11.13 H new ATOM 0 HB VAL A 75 -8.852 18.943 -9.775 1.00 13.53 H new ATOM 0 HG11 VAL A 75 -11.308 19.008 -9.916 1.00 14.01 H new ATOM 0 HG12 VAL A 75 -10.751 18.095 -8.493 1.00 14.01 H new ATOM 0 HG13 VAL A 75 -11.377 19.749 -8.299 1.00 14.01 H new ATOM 0 HG21 VAL A 75 -9.964 20.885 -10.798 1.00 0.01 H new ATOM 0 HG22 VAL A 75 -9.976 21.705 -9.219 1.00 0.01 H new ATOM 0 HG23 VAL A 75 -8.430 21.337 -10.018 1.00 0.01 H new ATOM 1167 N MET A 76 -10.292 19.977 -5.994 1.00 43.31 N ATOM 1168 CA MET A 76 -11.135 20.692 -5.043 1.00 43.13 C ATOM 1169 C MET A 76 -10.776 20.316 -3.608 1.00 51.03 C ATOM 1170 O MET A 76 -9.829 19.565 -3.371 1.00 70.34 O ATOM 1171 CB MET A 76 -12.611 20.386 -5.308 1.00 71.42 C ATOM 1172 CG MET A 76 -12.960 18.913 -5.176 1.00 32.35 C ATOM 1173 SD MET A 76 -14.574 18.516 -5.873 1.00 71.52 S ATOM 1174 CE MET A 76 -15.271 17.507 -4.568 1.00 75.53 C ATOM 0 H MET A 76 -10.360 18.961 -5.937 1.00 43.31 H new ATOM 0 HA MET A 76 -10.963 21.760 -5.174 1.00 43.13 H new ATOM 0 HB2 MET A 76 -13.223 20.960 -4.612 1.00 71.42 H new ATOM 0 HB3 MET A 76 -12.869 20.723 -6.312 1.00 71.42 H new ATOM 0 HG2 MET A 76 -12.196 18.317 -5.675 1.00 32.35 H new ATOM 0 HG3 MET A 76 -12.945 18.633 -4.123 1.00 32.35 H new ATOM 0 HE1 MET A 76 -16.272 17.184 -4.853 1.00 75.53 H new ATOM 0 HE2 MET A 76 -14.640 16.633 -4.407 1.00 75.53 H new ATOM 0 HE3 MET A 76 -15.326 18.089 -3.648 1.00 75.53 H new TER 1184 MET A 76