USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=20 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= -0.445 K(o=0.21,f=-13!) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0.654 USER MOD Set 2.1: A 10 TYR OH : rot 180:sc= 0.852 USER MOD Set 2.2: A 12 TYR OH : rot 87:sc= 0.98 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0572 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.0525 USER MOD Single : A 7 GLN : amide:sc= -0.517 K(o=-0.52,f=-3.2!) USER MOD Single : A 11 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.44) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0597 K(o=-0.06,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= 0.076 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.141 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.113 F(o=-1.4,f=-0.11) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -31:sc= 0.717 USER MOD Single : A 45 HIS : no HD1:sc= -0.378 X(o=-0.38,f=-0.68) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.73 K(o=-0.73,f=-1.2) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0532 USER MOD Single : A 74 SER OG : rot 180:sc= -0.162 USER MOD Single : A 76 MET CE :methyl -167:sc= -0.0288 (180deg=-0.296) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.736 -1.162 -0.410 1.00 62.14 N ATOM 2 CA GLY A 1 2.713 -0.166 -0.153 1.00 72.30 C ATOM 3 C GLY A 1 2.262 0.541 -1.415 1.00 22.14 C ATOM 4 O GLY A 1 2.940 0.488 -2.441 1.00 61.32 O ATOM 0 H1 GLY A 1 3.343 -2.112 -0.253 1.00 62.14 H new ATOM 0 H2 GLY A 1 4.060 -1.080 -1.395 1.00 62.14 H new ATOM 0 H3 GLY A 1 4.539 -1.009 0.233 1.00 62.14 H new ATOM 0 HA2 GLY A 1 1.854 -0.645 0.318 1.00 72.30 H new ATOM 0 HA3 GLY A 1 3.096 0.569 0.555 1.00 72.30 H new ATOM 10 N THR A 2 1.112 1.204 -1.342 1.00 31.43 N ATOM 11 CA THR A 2 0.569 1.922 -2.488 1.00 21.31 C ATOM 12 C THR A 2 0.386 3.402 -2.173 1.00 71.43 C ATOM 13 O THR A 2 0.317 3.810 -1.014 1.00 32.13 O ATOM 14 CB THR A 2 -0.783 1.332 -2.932 1.00 31.02 C ATOM 15 OG1 THR A 2 -1.481 0.801 -1.800 1.00 74.52 O ATOM 16 CG2 THR A 2 -0.583 0.239 -3.969 1.00 63.13 C ATOM 0 H THR A 2 0.538 1.258 -0.500 1.00 31.43 H new ATOM 0 HA THR A 2 1.289 1.812 -3.299 1.00 21.31 H new ATOM 0 HB THR A 2 -1.373 2.131 -3.380 1.00 31.02 H new ATOM 0 HG1 THR A 2 -2.340 0.429 -2.090 1.00 74.52 H new ATOM 0 HG21 THR A 2 -1.552 -0.162 -4.267 1.00 63.13 H new ATOM 0 HG22 THR A 2 -0.078 0.653 -4.842 1.00 63.13 H new ATOM 0 HG23 THR A 2 0.025 -0.560 -3.543 1.00 63.13 H new ATOM 24 N PRO A 3 0.306 4.227 -3.228 1.00 22.24 N ATOM 25 CA PRO A 3 0.129 5.675 -3.088 1.00 51.53 C ATOM 26 C PRO A 3 -1.258 6.043 -2.572 1.00 21.02 C ATOM 27 O PRO A 3 -2.253 5.423 -2.944 1.00 25.42 O ATOM 28 CB PRO A 3 0.323 6.195 -4.515 1.00 52.33 C ATOM 29 CG PRO A 3 -0.034 5.044 -5.389 1.00 61.01 C ATOM 30 CD PRO A 3 0.381 3.809 -4.637 1.00 71.24 C ATOM 0 HA PRO A 3 0.824 6.102 -2.365 1.00 51.53 H new ATOM 0 HB2 PRO A 3 -0.316 7.056 -4.713 1.00 52.33 H new ATOM 0 HB3 PRO A 3 1.351 6.516 -4.683 1.00 52.33 H new ATOM 0 HG2 PRO A 3 -1.103 5.031 -5.600 1.00 61.01 H new ATOM 0 HG3 PRO A 3 0.480 5.108 -6.348 1.00 61.01 H new ATOM 0 HD2 PRO A 3 -0.284 2.970 -4.843 1.00 71.24 H new ATOM 0 HD3 PRO A 3 1.388 3.492 -4.909 1.00 71.24 H new ATOM 38 N SER A 4 -1.315 7.056 -1.713 1.00 53.30 N ATOM 39 CA SER A 4 -2.579 7.504 -1.143 1.00 1.23 C ATOM 40 C SER A 4 -2.549 9.004 -0.861 1.00 70.21 C ATOM 41 O SER A 4 -1.517 9.653 -1.021 1.00 72.45 O ATOM 42 CB SER A 4 -2.881 6.738 0.148 1.00 45.22 C ATOM 43 OG SER A 4 -2.769 5.339 -0.052 1.00 21.10 O ATOM 0 H SER A 4 -0.500 7.582 -1.397 1.00 53.30 H new ATOM 0 HA SER A 4 -3.366 7.304 -1.870 1.00 1.23 H new ATOM 0 HB2 SER A 4 -2.192 7.053 0.931 1.00 45.22 H new ATOM 0 HB3 SER A 4 -3.887 6.980 0.492 1.00 45.22 H new ATOM 0 HG SER A 4 -2.965 4.872 0.787 1.00 21.10 H new ATOM 49 N ALA A 5 -3.688 9.544 -0.442 1.00 44.51 N ATOM 50 CA ALA A 5 -3.791 10.966 -0.136 1.00 71.53 C ATOM 51 C ALA A 5 -2.751 11.382 0.897 1.00 64.50 C ATOM 52 O ALA A 5 -2.350 12.546 0.952 1.00 75.23 O ATOM 53 CB ALA A 5 -5.191 11.298 0.358 1.00 50.33 C ATOM 0 H ALA A 5 -4.552 9.019 -0.307 1.00 44.51 H new ATOM 0 HA ALA A 5 -3.598 11.525 -1.052 1.00 71.53 H new ATOM 0 HB1 ALA A 5 -5.255 12.363 0.583 1.00 50.33 H new ATOM 0 HB2 ALA A 5 -5.918 11.046 -0.414 1.00 50.33 H new ATOM 0 HB3 ALA A 5 -5.405 10.723 1.259 1.00 50.33 H new ATOM 59 N ASP A 6 -2.317 10.427 1.712 1.00 73.12 N ATOM 60 CA ASP A 6 -1.322 10.695 2.743 1.00 73.34 C ATOM 61 C ASP A 6 0.027 11.042 2.120 1.00 50.31 C ATOM 62 O ASP A 6 0.822 11.776 2.707 1.00 61.44 O ATOM 63 CB ASP A 6 -1.175 9.486 3.667 1.00 32.21 C ATOM 64 CG ASP A 6 -0.731 9.874 5.063 1.00 10.24 C ATOM 65 OD1 ASP A 6 -1.495 10.578 5.756 1.00 72.44 O ATOM 66 OD2 ASP A 6 0.382 9.474 5.464 1.00 60.32 O1- ATOM 0 H ASP A 6 -2.639 9.460 1.678 1.00 73.12 H new ATOM 0 HA ASP A 6 -1.662 11.550 3.328 1.00 73.34 H new ATOM 0 HB2 ASP A 6 -2.127 8.959 3.725 1.00 32.21 H new ATOM 0 HB3 ASP A 6 -0.452 8.791 3.239 1.00 32.21 H new ATOM 71 N GLN A 7 0.276 10.509 0.929 1.00 61.34 N ATOM 72 CA GLN A 7 1.530 10.761 0.228 1.00 33.32 C ATOM 73 C GLN A 7 1.578 12.190 -0.305 1.00 30.12 C ATOM 74 O GLN A 7 2.651 12.783 -0.423 1.00 65.14 O ATOM 75 CB GLN A 7 1.703 9.769 -0.924 1.00 3.44 C ATOM 76 CG GLN A 7 2.210 8.406 -0.482 1.00 3.33 C ATOM 77 CD GLN A 7 3.685 8.416 -0.135 1.00 3.22 C ATOM 78 OE1 GLN A 7 4.115 9.118 0.782 1.00 64.11 O ATOM 79 NE2 GLN A 7 4.472 7.636 -0.868 1.00 43.14 N ATOM 0 H GLN A 7 -0.373 9.901 0.429 1.00 61.34 H new ATOM 0 HA GLN A 7 2.347 10.629 0.938 1.00 33.32 H new ATOM 0 HB2 GLN A 7 0.747 9.644 -1.432 1.00 3.44 H new ATOM 0 HB3 GLN A 7 2.398 10.188 -1.652 1.00 3.44 H new ATOM 0 HG2 GLN A 7 1.639 8.074 0.385 1.00 3.33 H new ATOM 0 HG3 GLN A 7 2.033 7.681 -1.277 1.00 3.33 H new ATOM 0 HE21 GLN A 7 4.074 7.071 -1.618 1.00 43.14 H new ATOM 0 HE22 GLN A 7 5.474 7.602 -0.681 1.00 43.14 H new ATOM 88 N VAL A 8 0.409 12.737 -0.624 1.00 11.23 N ATOM 89 CA VAL A 8 0.319 14.097 -1.142 1.00 70.32 C ATOM 90 C VAL A 8 0.025 15.091 -0.026 1.00 51.41 C ATOM 91 O VAL A 8 -0.517 16.171 -0.269 1.00 2.43 O ATOM 92 CB VAL A 8 -0.776 14.213 -2.221 1.00 23.21 C ATOM 93 CG1 VAL A 8 -0.418 13.374 -3.438 1.00 70.42 C ATOM 94 CG2 VAL A 8 -2.126 13.801 -1.655 1.00 21.21 C ATOM 0 H VAL A 8 -0.488 12.260 -0.533 1.00 11.23 H new ATOM 0 HA VAL A 8 1.285 14.332 -1.588 1.00 70.32 H new ATOM 0 HB VAL A 8 -0.843 15.254 -2.536 1.00 23.21 H new ATOM 0 HG11 VAL A 8 -1.203 13.469 -4.189 1.00 70.42 H new ATOM 0 HG12 VAL A 8 0.527 13.722 -3.855 1.00 70.42 H new ATOM 0 HG13 VAL A 8 -0.321 12.329 -3.144 1.00 70.42 H new ATOM 0 HG21 VAL A 8 -2.888 13.889 -2.430 1.00 21.21 H new ATOM 0 HG22 VAL A 8 -2.076 12.768 -1.311 1.00 21.21 H new ATOM 0 HG23 VAL A 8 -2.383 14.450 -0.818 1.00 21.21 H new ATOM 104 N ARG A 9 0.386 14.724 1.199 1.00 23.24 N ATOM 105 CA ARG A 9 0.161 15.584 2.354 1.00 13.23 C ATOM 106 C ARG A 9 1.170 16.728 2.383 1.00 52.15 C ATOM 107 O ARG A 9 2.077 16.791 1.554 1.00 24.40 O ATOM 108 CB ARG A 9 0.255 14.772 3.647 1.00 64.10 C ATOM 109 CG ARG A 9 -1.038 14.064 4.017 1.00 33.12 C ATOM 110 CD ARG A 9 -2.106 15.050 4.463 1.00 30.54 C ATOM 111 NE ARG A 9 -2.980 15.446 3.362 1.00 63.31 N ATOM 112 CZ ARG A 9 -3.859 16.439 3.443 1.00 44.51 C ATOM 113 NH1 ARG A 9 -3.980 17.133 4.565 1.00 13.12 N1+ ATOM 114 NH2 ARG A 9 -4.619 16.739 2.397 1.00 52.12 N ATOM 0 H ARG A 9 0.836 13.835 1.417 1.00 23.24 H new ATOM 0 HA ARG A 9 -0.840 16.007 2.272 1.00 13.23 H new ATOM 0 HB2 ARG A 9 1.048 14.031 3.544 1.00 64.10 H new ATOM 0 HB3 ARG A 9 0.542 15.436 4.463 1.00 64.10 H new ATOM 0 HG2 ARG A 9 -1.401 13.496 3.160 1.00 33.12 H new ATOM 0 HG3 ARG A 9 -0.846 13.348 4.816 1.00 33.12 H new ATOM 0 HD2 ARG A 9 -2.704 14.602 5.257 1.00 30.54 H new ATOM 0 HD3 ARG A 9 -1.629 15.935 4.884 1.00 30.54 H new ATOM 0 HE ARG A 9 -2.912 14.932 2.483 1.00 63.31 H new ATOM 0 HH11 ARG A 9 -3.397 16.906 5.371 1.00 13.12 H new ATOM 0 HH12 ARG A 9 -4.656 17.895 4.623 1.00 13.12 H new ATOM 0 HH21 ARG A 9 -4.528 16.207 1.531 1.00 52.12 H new ATOM 0 HH22 ARG A 9 -5.294 17.501 2.459 1.00 52.12 H new ATOM 128 N TYR A 10 1.005 17.630 3.346 1.00 14.33 N ATOM 129 CA TYR A 10 1.900 18.774 3.482 1.00 71.55 C ATOM 130 C TYR A 10 2.246 19.022 4.947 1.00 52.43 C ATOM 131 O TYR A 10 1.517 18.608 5.848 1.00 74.35 O ATOM 132 CB TYR A 10 1.258 20.023 2.880 1.00 34.44 C ATOM 133 CG TYR A 10 0.101 20.563 3.691 1.00 40.24 C ATOM 134 CD1 TYR A 10 0.319 21.432 4.754 1.00 21.35 C ATOM 135 CD2 TYR A 10 -1.208 20.205 3.394 1.00 40.41 C ATOM 136 CE1 TYR A 10 -0.736 21.926 5.498 1.00 1.11 C ATOM 137 CE2 TYR A 10 -2.268 20.695 4.133 1.00 61.22 C ATOM 138 CZ TYR A 10 -2.026 21.554 5.184 1.00 2.14 C ATOM 139 OH TYR A 10 -3.078 22.045 5.923 1.00 11.10 O ATOM 0 H TYR A 10 0.261 17.591 4.043 1.00 14.33 H new ATOM 0 HA TYR A 10 2.820 18.551 2.942 1.00 71.55 H new ATOM 0 HB2 TYR A 10 2.016 20.800 2.783 1.00 34.44 H new ATOM 0 HB3 TYR A 10 0.908 19.792 1.874 1.00 34.44 H new ATOM 0 HD1 TYR A 10 1.328 21.726 5.002 1.00 21.35 H new ATOM 0 HD2 TYR A 10 -1.401 19.532 2.571 1.00 40.41 H new ATOM 0 HE1 TYR A 10 -0.551 22.600 6.321 1.00 1.11 H new ATOM 0 HE2 TYR A 10 -3.280 20.407 3.889 1.00 61.22 H new ATOM 0 HH TYR A 10 -3.920 21.687 5.572 1.00 11.10 H new ATOM 149 N ASN A 11 3.365 19.702 5.176 1.00 42.23 N ATOM 150 CA ASN A 11 3.811 20.005 6.530 1.00 42.31 C ATOM 151 C ASN A 11 3.960 21.511 6.729 1.00 20.03 C ATOM 152 O ASN A 11 4.426 22.221 5.839 1.00 44.41 O ATOM 153 CB ASN A 11 5.139 19.306 6.823 1.00 13.35 C ATOM 154 CG ASN A 11 5.849 19.892 8.029 1.00 32.15 C ATOM 155 OD1 ASN A 11 5.277 19.983 9.115 1.00 50.24 O ATOM 156 ND2 ASN A 11 7.101 20.294 7.841 1.00 62.24 N ATOM 0 H ASN A 11 3.979 20.053 4.441 1.00 42.23 H new ATOM 0 HA ASN A 11 3.056 19.637 7.225 1.00 42.31 H new ATOM 0 HB2 ASN A 11 4.958 18.245 6.992 1.00 13.35 H new ATOM 0 HB3 ASN A 11 5.787 19.384 5.950 1.00 13.35 H new ATOM 0 HD21 ASN A 11 7.629 20.698 8.615 1.00 62.24 H new ATOM 0 HD22 ASN A 11 7.535 20.199 6.923 1.00 62.24 H new ATOM 163 N TYR A 12 3.562 21.990 7.903 1.00 45.02 N ATOM 164 CA TYR A 12 3.652 23.411 8.217 1.00 72.31 C ATOM 165 C TYR A 12 5.094 23.817 8.503 1.00 31.24 C ATOM 166 O TYR A 12 5.705 23.347 9.465 1.00 51.10 O ATOM 167 CB TYR A 12 2.767 23.744 9.421 1.00 11.32 C ATOM 168 CG TYR A 12 1.288 23.701 9.115 1.00 4.11 C ATOM 169 CD1 TYR A 12 0.708 24.633 8.262 1.00 5.04 C ATOM 170 CD2 TYR A 12 0.469 22.731 9.679 1.00 12.20 C ATOM 171 CE1 TYR A 12 -0.645 24.598 7.980 1.00 33.01 C ATOM 172 CE2 TYR A 12 -0.884 22.688 9.402 1.00 33.51 C ATOM 173 CZ TYR A 12 -1.436 23.624 8.551 1.00 53.13 C ATOM 174 OH TYR A 12 -2.783 23.586 8.275 1.00 31.24 O ATOM 0 H TYR A 12 3.175 21.416 8.652 1.00 45.02 H new ATOM 0 HA TYR A 12 3.303 23.972 7.350 1.00 72.31 H new ATOM 0 HB2 TYR A 12 2.984 23.042 10.226 1.00 11.32 H new ATOM 0 HB3 TYR A 12 3.025 24.738 9.787 1.00 11.32 H new ATOM 0 HD1 TYR A 12 1.325 25.397 7.812 1.00 5.04 H new ATOM 0 HD2 TYR A 12 0.897 21.997 10.346 1.00 12.20 H new ATOM 0 HE1 TYR A 12 -1.080 25.330 7.316 1.00 33.01 H new ATOM 0 HE2 TYR A 12 -1.506 21.926 9.849 1.00 33.51 H new ATOM 0 HH TYR A 12 -2.936 23.060 7.462 1.00 31.24 H new ATOM 184 N THR A 13 5.633 24.694 7.664 1.00 52.44 N ATOM 185 CA THR A 13 7.003 25.164 7.824 1.00 21.44 C ATOM 186 C THR A 13 7.064 26.687 7.838 1.00 1.51 C ATOM 187 O THR A 13 6.086 27.358 7.513 1.00 61.40 O ATOM 188 CB THR A 13 7.914 24.635 6.699 1.00 0.51 C ATOM 189 OG1 THR A 13 7.581 25.270 5.460 1.00 12.51 O ATOM 190 CG2 THR A 13 7.777 23.128 6.557 1.00 33.31 C ATOM 0 H THR A 13 5.141 25.094 6.865 1.00 52.44 H new ATOM 0 HA THR A 13 7.359 24.780 8.780 1.00 21.44 H new ATOM 0 HB THR A 13 8.947 24.866 6.958 1.00 0.51 H new ATOM 0 HG1 THR A 13 8.165 24.930 4.751 1.00 12.51 H new ATOM 0 HG21 THR A 13 8.429 22.777 5.757 1.00 33.31 H new ATOM 0 HG22 THR A 13 8.060 22.647 7.493 1.00 33.31 H new ATOM 0 HG23 THR A 13 6.743 22.877 6.319 1.00 33.31 H new ATOM 198 N GLU A 14 8.220 27.226 8.216 1.00 33.12 N ATOM 199 CA GLU A 14 8.405 28.670 8.272 1.00 45.32 C ATOM 200 C GLU A 14 9.048 29.187 6.988 1.00 72.14 C ATOM 201 O GLU A 14 9.947 28.554 6.431 1.00 2.41 O ATOM 202 CB GLU A 14 9.271 29.049 9.476 1.00 43.44 C ATOM 203 CG GLU A 14 8.597 30.024 10.427 1.00 35.42 C ATOM 204 CD GLU A 14 9.542 30.550 11.489 1.00 64.44 C ATOM 205 OE1 GLU A 14 10.559 31.174 11.119 1.00 12.22 O ATOM 206 OE2 GLU A 14 9.265 30.341 12.688 1.00 31.43 O1- ATOM 0 H GLU A 14 9.040 26.684 8.487 1.00 33.12 H new ATOM 0 HA GLU A 14 7.423 29.132 8.378 1.00 45.32 H new ATOM 0 HB2 GLU A 14 9.534 28.144 10.023 1.00 43.44 H new ATOM 0 HB3 GLU A 14 10.203 29.488 9.119 1.00 43.44 H new ATOM 0 HG2 GLU A 14 8.194 30.861 9.857 1.00 35.42 H new ATOM 0 HG3 GLU A 14 7.753 29.531 10.909 1.00 35.42 H new ATOM 213 N LEU A 15 8.581 30.339 6.521 1.00 31.01 N ATOM 214 CA LEU A 15 9.110 30.941 5.302 1.00 75.52 C ATOM 215 C LEU A 15 9.948 32.175 5.622 1.00 52.53 C ATOM 216 O LEU A 15 9.818 32.785 6.683 1.00 52.44 O ATOM 217 CB LEU A 15 7.965 31.318 4.358 1.00 45.14 C ATOM 218 CG LEU A 15 7.412 30.188 3.489 1.00 61.13 C ATOM 219 CD1 LEU A 15 6.013 30.528 3.001 1.00 24.13 C ATOM 220 CD2 LEU A 15 8.340 29.919 2.312 1.00 34.00 C ATOM 0 H LEU A 15 7.837 30.875 6.968 1.00 31.01 H new ATOM 0 HA LEU A 15 9.751 30.208 4.812 1.00 75.52 H new ATOM 0 HB2 LEU A 15 7.148 31.724 4.954 1.00 45.14 H new ATOM 0 HB3 LEU A 15 8.309 32.118 3.703 1.00 45.14 H new ATOM 0 HG LEU A 15 7.354 29.283 4.094 1.00 61.13 H new ATOM 0 HD11 LEU A 15 5.635 29.713 2.384 1.00 24.13 H new ATOM 0 HD12 LEU A 15 5.354 30.671 3.857 1.00 24.13 H new ATOM 0 HD13 LEU A 15 6.046 31.444 2.411 1.00 24.13 H new ATOM 0 HD21 LEU A 15 7.932 29.112 1.704 1.00 34.00 H new ATOM 0 HD22 LEU A 15 8.430 30.821 1.706 1.00 34.00 H new ATOM 0 HD23 LEU A 15 9.324 29.632 2.683 1.00 34.00 H new ATOM 232 N PRO A 16 10.827 32.553 4.682 1.00 52.33 N ATOM 233 CA PRO A 16 11.701 33.719 4.841 1.00 73.22 C ATOM 234 C PRO A 16 10.930 35.034 4.788 1.00 42.24 C ATOM 235 O PRO A 16 11.445 36.081 5.176 1.00 30.55 O ATOM 236 CB PRO A 16 12.657 33.611 3.650 1.00 54.14 C ATOM 237 CG PRO A 16 11.899 32.836 2.626 1.00 53.42 C ATOM 238 CD PRO A 16 11.035 31.873 3.393 1.00 70.53 C ATOM 0 HA PRO A 16 12.202 33.723 5.809 1.00 73.22 H new ATOM 0 HB2 PRO A 16 12.936 34.596 3.275 1.00 54.14 H new ATOM 0 HB3 PRO A 16 13.580 33.103 3.928 1.00 54.14 H new ATOM 0 HG2 PRO A 16 11.292 33.497 2.006 1.00 53.42 H new ATOM 0 HG3 PRO A 16 12.577 32.305 1.957 1.00 53.42 H new ATOM 0 HD2 PRO A 16 10.091 31.685 2.881 1.00 70.53 H new ATOM 0 HD3 PRO A 16 11.526 30.908 3.522 1.00 70.53 H new ATOM 246 N ASN A 17 9.694 34.970 4.304 1.00 3.13 N ATOM 247 CA ASN A 17 8.853 36.157 4.201 1.00 21.43 C ATOM 248 C ASN A 17 8.158 36.449 5.528 1.00 30.55 C ATOM 249 O ASN A 17 7.483 37.466 5.676 1.00 12.42 O ATOM 250 CB ASN A 17 7.808 35.971 3.097 1.00 30.03 C ATOM 251 CG ASN A 17 6.838 34.848 3.400 1.00 50.24 C ATOM 252 OD1 ASN A 17 7.010 34.109 4.371 1.00 12.44 O ATOM 253 ND2 ASN A 17 5.810 34.713 2.571 1.00 24.23 N ATOM 0 H ASN A 17 9.253 34.110 3.977 1.00 3.13 H new ATOM 0 HA ASN A 17 9.492 37.004 3.951 1.00 21.43 H new ATOM 0 HB2 ASN A 17 7.254 36.900 2.966 1.00 30.03 H new ATOM 0 HB3 ASN A 17 8.314 35.765 2.153 1.00 30.03 H new ATOM 0 HD21 ASN A 17 5.124 33.975 2.726 1.00 24.23 H new ATOM 0 HD22 ASN A 17 5.707 35.348 1.779 1.00 24.23 H new ATOM 260 N GLY A 18 8.331 35.548 6.491 1.00 75.24 N ATOM 261 CA GLY A 18 7.716 35.728 7.793 1.00 63.13 C ATOM 262 C GLY A 18 6.523 34.817 8.000 1.00 23.55 C ATOM 263 O GLY A 18 6.169 34.496 9.135 1.00 61.41 O ATOM 0 H GLY A 18 8.886 34.698 6.392 1.00 75.24 H new ATOM 0 HA2 GLY A 18 8.455 35.536 8.571 1.00 63.13 H new ATOM 0 HA3 GLY A 18 7.401 36.766 7.902 1.00 63.13 H new ATOM 267 N GLU A 19 5.899 34.401 6.903 1.00 64.42 N ATOM 268 CA GLU A 19 4.736 33.524 6.971 1.00 70.10 C ATOM 269 C GLU A 19 5.163 32.064 7.105 1.00 45.33 C ATOM 270 O GLU A 19 6.348 31.763 7.243 1.00 50.13 O ATOM 271 CB GLU A 19 3.863 33.699 5.728 1.00 2.11 C ATOM 272 CG GLU A 19 3.628 35.152 5.350 1.00 53.05 C ATOM 273 CD GLU A 19 3.226 36.007 6.537 1.00 73.31 C ATOM 274 OE1 GLU A 19 2.236 35.656 7.213 1.00 52.10 O1- ATOM 275 OE2 GLU A 19 3.902 37.025 6.789 1.00 64.10 O ATOM 0 H GLU A 19 6.179 34.657 5.956 1.00 64.42 H new ATOM 0 HA GLU A 19 4.157 33.799 7.853 1.00 70.10 H new ATOM 0 HB2 GLU A 19 4.333 33.185 4.889 1.00 2.11 H new ATOM 0 HB3 GLU A 19 2.901 33.216 5.899 1.00 2.11 H new ATOM 0 HG2 GLU A 19 4.536 35.559 4.905 1.00 53.05 H new ATOM 0 HG3 GLU A 19 2.849 35.204 4.589 1.00 53.05 H new ATOM 282 N TYR A 20 4.188 31.163 7.062 1.00 61.53 N ATOM 283 CA TYR A 20 4.460 29.736 7.181 1.00 34.14 C ATOM 284 C TYR A 20 4.508 29.074 5.807 1.00 55.31 C ATOM 285 O TYR A 20 5.567 28.646 5.347 1.00 31.44 O ATOM 286 CB TYR A 20 3.395 29.062 8.048 1.00 60.13 C ATOM 287 CG TYR A 20 3.805 28.902 9.494 1.00 60.13 C ATOM 288 CD1 TYR A 20 3.628 29.935 10.405 1.00 0.13 C ATOM 289 CD2 TYR A 20 4.367 27.716 9.950 1.00 15.40 C ATOM 290 CE1 TYR A 20 4.000 29.794 11.728 1.00 4.43 C ATOM 291 CE2 TYR A 20 4.742 27.565 11.272 1.00 61.50 C ATOM 292 CZ TYR A 20 4.557 28.606 12.156 1.00 52.13 C ATOM 293 OH TYR A 20 4.929 28.460 13.473 1.00 70.22 O ATOM 0 H TYR A 20 3.202 31.396 6.946 1.00 61.53 H new ATOM 0 HA TYR A 20 5.434 29.616 7.656 1.00 34.14 H new ATOM 0 HB2 TYR A 20 2.477 29.648 8.002 1.00 60.13 H new ATOM 0 HB3 TYR A 20 3.168 28.080 7.633 1.00 60.13 H new ATOM 0 HD1 TYR A 20 3.192 30.866 10.073 1.00 0.13 H new ATOM 0 HD2 TYR A 20 4.513 26.898 9.260 1.00 15.40 H new ATOM 0 HE1 TYR A 20 3.856 30.608 12.423 1.00 4.43 H new ATOM 0 HE2 TYR A 20 5.178 26.636 11.610 1.00 61.50 H new ATOM 0 HH TYR A 20 5.303 27.565 13.610 1.00 70.22 H new ATOM 303 N CYS A 21 3.352 28.995 5.156 1.00 45.41 N ATOM 304 CA CYS A 21 3.258 28.386 3.834 1.00 22.34 C ATOM 305 C CYS A 21 1.850 28.533 3.267 1.00 21.40 C ATOM 306 O CYS A 21 0.873 28.601 4.012 1.00 34.13 O ATOM 307 CB CYS A 21 3.641 26.906 3.903 1.00 14.31 C ATOM 308 SG CYS A 21 2.380 25.848 4.684 1.00 72.04 S ATOM 0 H CYS A 21 2.467 29.345 5.523 1.00 45.41 H new ATOM 0 HA CYS A 21 3.953 28.903 3.172 1.00 22.34 H new ATOM 0 HB2 CYS A 21 3.830 26.543 2.893 1.00 14.31 H new ATOM 0 HB3 CYS A 21 4.575 26.809 4.456 1.00 14.31 H new ATOM 313 N TYR A 22 1.754 28.582 1.943 1.00 73.41 N ATOM 314 CA TYR A 22 0.466 28.723 1.274 1.00 25.14 C ATOM 315 C TYR A 22 -0.188 27.361 1.061 1.00 21.32 C ATOM 316 O TYR A 22 0.389 26.471 0.437 1.00 14.24 O ATOM 317 CB TYR A 22 0.640 29.433 -0.070 1.00 71.24 C ATOM 318 CG TYR A 22 0.776 30.934 0.052 1.00 53.20 C ATOM 319 CD1 TYR A 22 -0.112 31.670 0.829 1.00 71.22 C ATOM 320 CD2 TYR A 22 1.790 31.616 -0.609 1.00 33.03 C ATOM 321 CE1 TYR A 22 0.008 33.042 0.945 1.00 43.51 C ATOM 322 CE2 TYR A 22 1.917 32.987 -0.498 1.00 75.54 C ATOM 323 CZ TYR A 22 1.023 33.695 0.278 1.00 12.31 C ATOM 324 OH TYR A 22 1.147 35.062 0.389 1.00 10.53 O ATOM 0 H TYR A 22 2.553 28.526 1.312 1.00 73.41 H new ATOM 0 HA TYR A 22 -0.183 29.323 1.912 1.00 25.14 H new ATOM 0 HB2 TYR A 22 1.524 29.036 -0.570 1.00 71.24 H new ATOM 0 HB3 TYR A 22 -0.215 29.204 -0.706 1.00 71.24 H new ATOM 0 HD1 TYR A 22 -0.909 31.161 1.351 1.00 71.22 H new ATOM 0 HD2 TYR A 22 2.490 31.065 -1.220 1.00 33.03 H new ATOM 0 HE1 TYR A 22 -0.689 33.599 1.554 1.00 43.51 H new ATOM 0 HE2 TYR A 22 2.712 33.502 -1.016 1.00 75.54 H new ATOM 0 HH TYR A 22 1.913 35.365 -0.141 1.00 10.53 H new ATOM 334 N THR A 23 -1.401 27.207 1.583 1.00 31.22 N ATOM 335 CA THR A 23 -2.136 25.955 1.452 1.00 12.23 C ATOM 336 C THR A 23 -2.170 25.487 0.002 1.00 3.11 C ATOM 337 O THR A 23 -1.934 26.257 -0.930 1.00 50.51 O ATOM 338 CB THR A 23 -3.582 26.095 1.967 1.00 70.34 C ATOM 339 OG1 THR A 23 -3.976 27.471 1.952 1.00 51.01 O ATOM 340 CG2 THR A 23 -3.708 25.543 3.379 1.00 42.22 C ATOM 0 H THR A 23 -1.895 27.934 2.100 1.00 31.22 H new ATOM 0 HA THR A 23 -1.612 25.216 2.058 1.00 12.23 H new ATOM 0 HB THR A 23 -4.236 25.523 1.309 1.00 70.34 H new ATOM 0 HG1 THR A 23 -4.896 27.551 2.279 1.00 51.01 H new ATOM 0 HG21 THR A 23 -4.737 25.652 3.722 1.00 42.22 H new ATOM 0 HG22 THR A 23 -3.434 24.488 3.383 1.00 42.22 H new ATOM 0 HG23 THR A 23 -3.043 26.093 4.045 1.00 42.22 H new ATOM 348 N PRO A 24 -2.469 24.194 -0.197 1.00 10.51 N ATOM 349 CA PRO A 24 -2.543 23.595 -1.533 1.00 1.33 C ATOM 350 C PRO A 24 -3.743 24.098 -2.330 1.00 0.42 C ATOM 351 O PRO A 24 -4.768 24.469 -1.759 1.00 21.20 O ATOM 352 CB PRO A 24 -2.682 22.099 -1.244 1.00 42.41 C ATOM 353 CG PRO A 24 -3.293 22.031 0.113 1.00 13.41 C ATOM 354 CD PRO A 24 -2.763 23.219 0.866 1.00 22.44 C ATOM 0 HA PRO A 24 -1.674 23.847 -2.141 1.00 1.33 H new ATOM 0 HB2 PRO A 24 -3.312 21.609 -1.987 1.00 42.41 H new ATOM 0 HB3 PRO A 24 -1.713 21.599 -1.268 1.00 42.41 H new ATOM 0 HG2 PRO A 24 -4.381 22.061 0.053 1.00 13.41 H new ATOM 0 HG3 PRO A 24 -3.027 21.101 0.615 1.00 13.41 H new ATOM 0 HD2 PRO A 24 -3.496 23.605 1.574 1.00 22.44 H new ATOM 0 HD3 PRO A 24 -1.870 22.966 1.438 1.00 22.44 H new ATOM 362 N ARG A 25 -3.606 24.107 -3.652 1.00 41.50 N ATOM 363 CA ARG A 25 -4.680 24.564 -4.526 1.00 11.30 C ATOM 364 C ARG A 25 -4.946 26.054 -4.328 1.00 42.24 C ATOM 365 O ARG A 25 -6.037 26.544 -4.618 1.00 30.50 O ATOM 366 CB ARG A 25 -5.958 23.768 -4.261 1.00 71.35 C ATOM 367 CG ARG A 25 -5.728 22.270 -4.136 1.00 24.20 C ATOM 368 CD ARG A 25 -7.016 21.535 -3.798 1.00 13.12 C ATOM 369 NE ARG A 25 -7.461 21.812 -2.435 1.00 61.42 N ATOM 370 CZ ARG A 25 -8.468 21.171 -1.847 1.00 63.21 C ATOM 371 NH1 ARG A 25 -9.125 20.223 -2.499 1.00 60.40 N1+ ATOM 372 NH2 ARG A 25 -8.814 21.479 -0.605 1.00 31.52 N ATOM 0 H ARG A 25 -2.764 23.804 -4.141 1.00 41.50 H new ATOM 0 HA ARG A 25 -4.367 24.402 -5.557 1.00 11.30 H new ATOM 0 HB2 ARG A 25 -6.420 24.134 -3.344 1.00 71.35 H new ATOM 0 HB3 ARG A 25 -6.665 23.952 -5.070 1.00 71.35 H new ATOM 0 HG2 ARG A 25 -5.322 21.884 -5.071 1.00 24.20 H new ATOM 0 HG3 ARG A 25 -4.985 22.078 -3.362 1.00 24.20 H new ATOM 0 HD2 ARG A 25 -7.796 21.828 -4.501 1.00 13.12 H new ATOM 0 HD3 ARG A 25 -6.864 20.462 -3.919 1.00 13.12 H new ATOM 0 HE ARG A 25 -6.974 22.535 -1.906 1.00 61.42 H new ATOM 0 HH11 ARG A 25 -8.859 19.983 -3.454 1.00 60.40 H new ATOM 0 HH12 ARG A 25 -9.896 19.733 -2.046 1.00 60.40 H new ATOM 0 HH21 ARG A 25 -8.308 22.207 -0.100 1.00 31.52 H new ATOM 0 HH22 ARG A 25 -9.586 20.988 -0.154 1.00 31.52 H new ATOM 386 N ARG A 26 -3.939 26.768 -3.831 1.00 23.54 N ATOM 387 CA ARG A 26 -4.066 28.201 -3.592 1.00 14.21 C ATOM 388 C ARG A 26 -3.179 28.991 -4.549 1.00 22.51 C ATOM 389 O ARG A 26 -2.070 28.567 -4.878 1.00 34.12 O ATOM 390 CB ARG A 26 -3.695 28.532 -2.145 1.00 32.13 C ATOM 391 CG ARG A 26 -4.641 29.521 -1.485 1.00 14.42 C ATOM 392 CD ARG A 26 -4.016 30.901 -1.375 1.00 12.23 C ATOM 393 NE ARG A 26 -5.023 31.957 -1.306 1.00 53.14 N ATOM 394 CZ ARG A 26 -5.697 32.259 -0.202 1.00 71.13 C ATOM 395 NH1 ARG A 26 -5.469 31.592 0.921 1.00 44.20 N1+ ATOM 396 NH2 ARG A 26 -6.599 33.232 -0.219 1.00 33.14 N ATOM 0 H ARG A 26 -3.029 26.378 -3.587 1.00 23.54 H new ATOM 0 HA ARG A 26 -5.104 28.484 -3.768 1.00 14.21 H new ATOM 0 HB2 ARG A 26 -3.682 27.611 -1.562 1.00 32.13 H new ATOM 0 HB3 ARG A 26 -2.684 28.938 -2.122 1.00 32.13 H new ATOM 0 HG2 ARG A 26 -5.564 29.583 -2.062 1.00 14.42 H new ATOM 0 HG3 ARG A 26 -4.909 29.162 -0.492 1.00 14.42 H new ATOM 0 HD2 ARG A 26 -3.386 30.943 -0.487 1.00 12.23 H new ATOM 0 HD3 ARG A 26 -3.368 31.074 -2.234 1.00 12.23 H new ATOM 0 HE ARG A 26 -5.219 32.492 -2.152 1.00 53.14 H new ATOM 0 HH11 ARG A 26 -4.775 30.845 0.939 1.00 44.20 H new ATOM 0 HH12 ARG A 26 -5.988 31.826 1.767 1.00 44.20 H new ATOM 0 HH21 ARG A 26 -6.775 33.749 -1.080 1.00 33.14 H new ATOM 0 HH22 ARG A 26 -7.116 33.463 0.629 1.00 33.14 H new ATOM 410 N ARG A 27 -3.676 30.140 -4.994 1.00 50.31 N ATOM 411 CA ARG A 27 -2.928 30.990 -5.915 1.00 40.43 C ATOM 412 C ARG A 27 -1.605 31.429 -5.298 1.00 64.30 C ATOM 413 O ARG A 27 -1.578 32.038 -4.228 1.00 33.14 O ATOM 414 CB ARG A 27 -3.759 32.217 -6.296 1.00 5.30 C ATOM 415 CG ARG A 27 -2.973 33.268 -7.064 1.00 61.13 C ATOM 416 CD ARG A 27 -3.880 34.375 -7.580 1.00 24.42 C ATOM 417 NE ARG A 27 -3.125 35.447 -8.223 1.00 40.41 N ATOM 418 CZ ARG A 27 -3.687 36.523 -8.759 1.00 44.13 C ATOM 419 NH1 ARG A 27 -5.005 36.671 -8.730 1.00 21.21 N1+ ATOM 420 NH2 ARG A 27 -2.933 37.456 -9.326 1.00 21.32 N ATOM 0 H ARG A 27 -4.592 30.504 -4.733 1.00 50.31 H new ATOM 0 HA ARG A 27 -2.714 30.411 -6.813 1.00 40.43 H new ATOM 0 HB2 ARG A 27 -4.609 31.897 -6.899 1.00 5.30 H new ATOM 0 HB3 ARG A 27 -4.163 32.668 -5.390 1.00 5.30 H new ATOM 0 HG2 ARG A 27 -2.207 33.696 -6.417 1.00 61.13 H new ATOM 0 HG3 ARG A 27 -2.457 32.798 -7.902 1.00 61.13 H new ATOM 0 HD2 ARG A 27 -4.593 33.957 -8.291 1.00 24.42 H new ATOM 0 HD3 ARG A 27 -4.458 34.785 -6.752 1.00 24.42 H new ATOM 0 HE ARG A 27 -2.109 35.364 -8.262 1.00 40.41 H new ATOM 0 HH11 ARG A 27 -5.589 35.957 -8.295 1.00 21.21 H new ATOM 0 HH12 ARG A 27 -5.434 37.499 -9.143 1.00 21.21 H new ATOM 0 HH21 ARG A 27 -1.919 37.347 -9.351 1.00 21.32 H new ATOM 0 HH22 ARG A 27 -3.367 38.282 -9.737 1.00 21.32 H new ATOM 434 N CYS A 28 -0.507 31.115 -5.978 1.00 43.33 N ATOM 435 CA CYS A 28 0.821 31.476 -5.499 1.00 31.31 C ATOM 436 C CYS A 28 1.657 32.088 -6.618 1.00 63.13 C ATOM 437 O CYS A 28 1.224 32.151 -7.769 1.00 50.44 O ATOM 438 CB CYS A 28 1.531 30.247 -4.930 1.00 52.41 C ATOM 439 SG CYS A 28 1.703 28.873 -6.114 1.00 5.44 S ATOM 0 H CYS A 28 -0.512 30.610 -6.864 1.00 43.33 H new ATOM 0 HA CYS A 28 0.705 32.219 -4.710 1.00 31.31 H new ATOM 0 HB2 CYS A 28 2.522 30.541 -4.584 1.00 52.41 H new ATOM 0 HB3 CYS A 28 0.981 29.894 -4.058 1.00 52.41 H new ATOM 444 N THR A 29 2.860 32.538 -6.273 1.00 73.01 N ATOM 445 CA THR A 29 3.757 33.145 -7.248 1.00 32.12 C ATOM 446 C THR A 29 5.089 32.406 -7.306 1.00 33.55 C ATOM 447 O THR A 29 5.700 32.293 -8.369 1.00 51.13 O ATOM 448 CB THR A 29 4.020 34.628 -6.922 1.00 20.25 C ATOM 449 OG1 THR A 29 5.078 35.129 -7.746 1.00 30.25 O ATOM 450 CG2 THR A 29 4.386 34.802 -5.456 1.00 44.55 C ATOM 0 H THR A 29 3.235 32.493 -5.325 1.00 73.01 H new ATOM 0 HA THR A 29 3.264 33.075 -8.217 1.00 32.12 H new ATOM 0 HB THR A 29 3.107 35.190 -7.121 1.00 20.25 H new ATOM 0 HG1 THR A 29 5.239 36.072 -7.534 1.00 30.25 H new ATOM 0 HG21 THR A 29 4.567 35.857 -5.249 1.00 44.55 H new ATOM 0 HG22 THR A 29 3.567 34.445 -4.832 1.00 44.55 H new ATOM 0 HG23 THR A 29 5.287 34.229 -5.235 1.00 44.55 H new ATOM 458 N SER A 30 5.531 31.903 -6.158 1.00 63.54 N ATOM 459 CA SER A 30 6.793 31.175 -6.079 1.00 12.44 C ATOM 460 C SER A 30 6.588 29.800 -5.451 1.00 32.23 C ATOM 461 O SER A 30 5.824 29.647 -4.497 1.00 42.24 O ATOM 462 CB SER A 30 7.814 31.972 -5.264 1.00 1.42 C ATOM 463 OG SER A 30 7.574 33.364 -5.371 1.00 24.25 O ATOM 0 H SER A 30 5.035 31.986 -5.271 1.00 63.54 H new ATOM 0 HA SER A 30 7.171 31.040 -7.092 1.00 12.44 H new ATOM 0 HB2 SER A 30 7.765 31.670 -4.218 1.00 1.42 H new ATOM 0 HB3 SER A 30 8.821 31.745 -5.614 1.00 1.42 H new ATOM 0 HG SER A 30 8.238 33.852 -4.841 1.00 24.25 H new ATOM 469 N ALA A 31 7.275 28.800 -5.995 1.00 62.45 N ATOM 470 CA ALA A 31 7.171 27.438 -5.489 1.00 32.30 C ATOM 471 C ALA A 31 7.636 27.354 -4.039 1.00 10.12 C ATOM 472 O ALA A 31 7.077 26.602 -3.240 1.00 65.45 O ATOM 473 CB ALA A 31 7.980 26.488 -6.360 1.00 44.20 C ATOM 0 H ALA A 31 7.909 28.909 -6.786 1.00 62.45 H new ATOM 0 HA ALA A 31 6.122 27.143 -5.525 1.00 32.30 H new ATOM 0 HB1 ALA A 31 7.893 25.474 -5.970 1.00 44.20 H new ATOM 0 HB2 ALA A 31 7.600 26.518 -7.381 1.00 44.20 H new ATOM 0 HB3 ALA A 31 9.027 26.791 -6.353 1.00 44.20 H new ATOM 479 N ASP A 32 8.661 28.129 -3.705 1.00 12.20 N ATOM 480 CA ASP A 32 9.200 28.143 -2.351 1.00 73.45 C ATOM 481 C ASP A 32 8.102 28.424 -1.330 1.00 71.20 C ATOM 482 O ASP A 32 8.149 27.929 -0.204 1.00 64.22 O ATOM 483 CB ASP A 32 10.307 29.193 -2.229 1.00 74.03 C ATOM 484 CG ASP A 32 11.207 28.950 -1.035 1.00 11.45 C ATOM 485 OD1 ASP A 32 12.013 27.998 -1.083 1.00 52.31 O ATOM 486 OD2 ASP A 32 11.104 29.712 -0.050 1.00 51.42 O1- ATOM 0 H ASP A 32 9.136 28.756 -4.354 1.00 12.20 H new ATOM 0 HA ASP A 32 9.619 27.158 -2.145 1.00 73.45 H new ATOM 0 HB2 ASP A 32 10.907 29.191 -3.139 1.00 74.03 H new ATOM 0 HB3 ASP A 32 9.857 30.182 -2.146 1.00 74.03 H new ATOM 491 N GLN A 33 7.117 29.219 -1.734 1.00 13.05 N ATOM 492 CA GLN A 33 6.008 29.565 -0.853 1.00 61.53 C ATOM 493 C GLN A 33 5.080 28.372 -0.650 1.00 21.20 C ATOM 494 O GLN A 33 4.612 28.119 0.461 1.00 62.33 O ATOM 495 CB GLN A 33 5.221 30.745 -1.430 1.00 1.33 C ATOM 496 CG GLN A 33 6.068 31.986 -1.662 1.00 24.41 C ATOM 497 CD GLN A 33 5.232 33.235 -1.856 1.00 55.02 C ATOM 498 OE1 GLN A 33 4.342 33.204 -2.840 1.00 20.05 O flip ATOM 499 NE2 GLN A 33 5.385 34.218 -1.130 1.00 41.24 N flip ATOM 0 H GLN A 33 7.064 29.635 -2.664 1.00 13.05 H new ATOM 0 HA GLN A 33 6.421 29.849 0.115 1.00 61.53 H new ATOM 0 HB2 GLN A 33 4.769 30.442 -2.374 1.00 1.33 H new ATOM 0 HB3 GLN A 33 4.405 30.994 -0.751 1.00 1.33 H new ATOM 0 HG2 GLN A 33 6.736 32.129 -0.813 1.00 24.41 H new ATOM 0 HG3 GLN A 33 6.696 31.834 -2.540 1.00 24.41 H new ATOM 0 HE21 GLN A 33 6.081 34.198 -0.385 1.00 41.24 H new ATOM 0 HE22 GLN A 33 4.815 35.052 -1.274 1.00 41.24 H new ATOM 508 N CYS A 34 4.818 27.641 -1.727 1.00 20.44 N ATOM 509 CA CYS A 34 3.946 26.474 -1.668 1.00 42.12 C ATOM 510 C CYS A 34 4.384 25.525 -0.556 1.00 14.23 C ATOM 511 O CYS A 34 5.537 25.096 -0.510 1.00 24.15 O ATOM 512 CB CYS A 34 3.949 25.742 -3.012 1.00 20.31 C ATOM 513 SG CYS A 34 3.045 24.159 -2.996 1.00 43.23 S ATOM 0 H CYS A 34 5.198 27.836 -2.653 1.00 20.44 H new ATOM 0 HA CYS A 34 2.934 26.816 -1.451 1.00 42.12 H new ATOM 0 HB2 CYS A 34 3.510 26.392 -3.769 1.00 20.31 H new ATOM 0 HB3 CYS A 34 4.981 25.556 -3.311 1.00 20.31 H new ATOM 518 N CYS A 35 3.454 25.199 0.335 1.00 63.44 N ATOM 519 CA CYS A 35 3.741 24.302 1.446 1.00 62.12 C ATOM 520 C CYS A 35 4.393 23.014 0.951 1.00 75.41 C ATOM 521 O CYS A 35 3.893 22.367 0.032 1.00 52.33 O ATOM 522 CB CYS A 35 2.457 23.973 2.211 1.00 15.41 C ATOM 523 SG CYS A 35 2.646 23.982 4.022 1.00 54.35 S ATOM 0 H CYS A 35 2.494 25.543 0.309 1.00 63.44 H new ATOM 0 HA CYS A 35 4.436 24.808 2.116 1.00 62.12 H new ATOM 0 HB2 CYS A 35 1.687 24.693 1.933 1.00 15.41 H new ATOM 0 HB3 CYS A 35 2.102 22.991 1.899 1.00 15.41 H new ATOM 528 N ARG A 36 5.513 22.649 1.568 1.00 74.42 N ATOM 529 CA ARG A 36 6.235 21.440 1.188 1.00 31.31 C ATOM 530 C ARG A 36 5.420 20.194 1.521 1.00 11.50 C ATOM 531 O ARG A 36 4.498 20.225 2.336 1.00 64.44 O ATOM 532 CB ARG A 36 7.588 21.384 1.900 1.00 74.21 C ATOM 533 CG ARG A 36 8.713 22.049 1.124 1.00 33.43 C ATOM 534 CD ARG A 36 8.680 23.561 1.283 1.00 52.41 C ATOM 535 NE ARG A 36 10.018 24.145 1.235 1.00 64.13 N ATOM 536 CZ ARG A 36 10.846 24.169 2.274 1.00 24.21 C ATOM 537 NH1 ARG A 36 10.477 23.645 3.432 1.00 61.22 N1+ ATOM 538 NH2 ARG A 36 12.048 24.719 2.152 1.00 13.25 N ATOM 0 H ARG A 36 5.940 23.173 2.332 1.00 74.42 H new ATOM 0 HA ARG A 36 6.400 21.468 0.111 1.00 31.31 H new ATOM 0 HB2 ARG A 36 7.496 21.865 2.874 1.00 74.21 H new ATOM 0 HB3 ARG A 36 7.850 20.342 2.082 1.00 74.21 H new ATOM 0 HG2 ARG A 36 9.672 21.666 1.472 1.00 33.43 H new ATOM 0 HG3 ARG A 36 8.631 21.791 0.068 1.00 33.43 H new ATOM 0 HD2 ARG A 36 8.066 23.995 0.494 1.00 52.41 H new ATOM 0 HD3 ARG A 36 8.207 23.816 2.231 1.00 52.41 H new ATOM 0 HE ARG A 36 10.334 24.557 0.357 1.00 64.13 H new ATOM 0 HH11 ARG A 36 9.554 23.221 3.529 1.00 61.22 H new ATOM 0 HH12 ARG A 36 11.115 23.665 4.227 1.00 61.22 H new ATOM 0 HH21 ARG A 36 12.336 25.123 1.261 1.00 13.25 H new ATOM 0 HH22 ARG A 36 12.684 24.738 2.949 1.00 13.25 H new ATOM 552 N PRO A 37 5.767 19.070 0.877 1.00 2.54 N ATOM 553 CA PRO A 37 5.080 17.792 1.087 1.00 73.11 C ATOM 554 C PRO A 37 5.361 17.205 2.466 1.00 25.00 C ATOM 555 O PRO A 37 6.425 17.430 3.043 1.00 22.30 O ATOM 556 CB PRO A 37 5.661 16.893 -0.006 1.00 11.35 C ATOM 557 CG PRO A 37 6.998 17.476 -0.308 1.00 4.20 C ATOM 558 CD PRO A 37 6.856 18.961 -0.109 1.00 42.10 C ATOM 0 HA PRO A 37 3.996 17.898 1.038 1.00 73.11 H new ATOM 0 HB2 PRO A 37 5.747 15.861 0.335 1.00 11.35 H new ATOM 0 HB3 PRO A 37 5.024 16.884 -0.891 1.00 11.35 H new ATOM 0 HG2 PRO A 37 7.761 17.065 0.352 1.00 4.20 H new ATOM 0 HG3 PRO A 37 7.303 17.246 -1.329 1.00 4.20 H new ATOM 0 HD2 PRO A 37 7.779 19.407 0.261 1.00 42.10 H new ATOM 0 HD3 PRO A 37 6.607 19.469 -1.041 1.00 42.10 H new ATOM 566 N TYR A 38 4.401 16.449 2.989 1.00 62.25 N ATOM 567 CA TYR A 38 4.545 15.831 4.302 1.00 14.44 C ATOM 568 C TYR A 38 5.770 14.922 4.344 1.00 34.42 C ATOM 569 O TYR A 38 6.405 14.766 5.387 1.00 11.41 O ATOM 570 CB TYR A 38 3.291 15.031 4.652 1.00 22.13 C ATOM 571 CG TYR A 38 3.438 14.186 5.897 1.00 14.52 C ATOM 572 CD1 TYR A 38 3.869 14.745 7.092 1.00 41.20 C ATOM 573 CD2 TYR A 38 3.146 12.827 5.877 1.00 30.11 C ATOM 574 CE1 TYR A 38 4.007 13.977 8.232 1.00 22.03 C ATOM 575 CE2 TYR A 38 3.280 12.052 7.012 1.00 14.55 C ATOM 576 CZ TYR A 38 3.711 12.631 8.187 1.00 53.42 C ATOM 577 OH TYR A 38 3.846 11.861 9.322 1.00 22.44 O ATOM 0 H TYR A 38 3.515 16.250 2.524 1.00 62.25 H new ATOM 0 HA TYR A 38 4.678 16.625 5.037 1.00 14.44 H new ATOM 0 HB2 TYR A 38 2.457 15.720 4.787 1.00 22.13 H new ATOM 0 HB3 TYR A 38 3.037 14.384 3.812 1.00 22.13 H new ATOM 0 HD1 TYR A 38 4.101 15.799 7.131 1.00 41.20 H new ATOM 0 HD2 TYR A 38 2.809 12.370 4.959 1.00 30.11 H new ATOM 0 HE1 TYR A 38 4.345 14.428 9.153 1.00 22.03 H new ATOM 0 HE2 TYR A 38 3.048 10.998 6.980 1.00 14.55 H new ATOM 0 HH TYR A 38 3.596 10.935 9.121 1.00 22.44 H new ATOM 587 N ASP A 39 6.095 14.326 3.203 1.00 32.30 N ATOM 588 CA ASP A 39 7.245 13.435 3.107 1.00 33.55 C ATOM 589 C ASP A 39 8.129 13.812 1.921 1.00 15.11 C ATOM 590 O ASP A 39 7.941 13.317 0.810 1.00 13.04 O ATOM 591 CB ASP A 39 6.783 11.983 2.972 1.00 24.25 C ATOM 592 CG ASP A 39 5.730 11.614 3.998 1.00 54.15 C ATOM 593 OD1 ASP A 39 6.036 11.669 5.208 1.00 23.30 O1- ATOM 594 OD2 ASP A 39 4.601 11.269 3.592 1.00 4.51 O ATOM 0 H ASP A 39 5.578 14.444 2.331 1.00 32.30 H new ATOM 0 HA ASP A 39 7.830 13.539 4.021 1.00 33.55 H new ATOM 0 HB2 ASP A 39 6.383 11.824 1.971 1.00 24.25 H new ATOM 0 HB3 ASP A 39 7.641 11.320 3.081 1.00 24.25 H new ATOM 599 N THR A 40 9.094 14.692 2.166 1.00 42.33 N ATOM 600 CA THR A 40 10.006 15.138 1.120 1.00 51.22 C ATOM 601 C THR A 40 10.751 13.961 0.501 1.00 5.24 C ATOM 602 O THR A 40 11.182 14.021 -0.651 1.00 55.42 O ATOM 603 CB THR A 40 11.031 16.151 1.662 1.00 52.44 C ATOM 604 OG1 THR A 40 11.727 15.595 2.783 1.00 3.03 O ATOM 605 CG2 THR A 40 10.345 17.445 2.076 1.00 32.04 C ATOM 0 H THR A 40 9.265 15.110 3.080 1.00 42.33 H new ATOM 0 HA THR A 40 9.397 15.622 0.356 1.00 51.22 H new ATOM 0 HB THR A 40 11.744 16.373 0.867 1.00 52.44 H new ATOM 0 HG1 THR A 40 12.378 16.246 3.120 1.00 3.03 H new ATOM 0 HG21 THR A 40 11.089 18.146 2.456 1.00 32.04 H new ATOM 0 HG22 THR A 40 9.842 17.882 1.214 1.00 32.04 H new ATOM 0 HG23 THR A 40 9.613 17.235 2.856 1.00 32.04 H new ATOM 613 N THR A 41 10.899 12.888 1.272 1.00 61.40 N ATOM 614 CA THR A 41 11.591 11.697 0.800 1.00 21.31 C ATOM 615 C THR A 41 10.708 10.879 -0.136 1.00 74.10 C ATOM 616 O THR A 41 11.144 9.881 -0.704 1.00 32.32 O ATOM 617 CB THR A 41 12.039 10.805 1.974 1.00 11.20 C ATOM 618 OG1 THR A 41 12.730 9.652 1.478 1.00 50.03 O ATOM 619 CG2 THR A 41 10.844 10.366 2.807 1.00 40.10 C ATOM 0 H THR A 41 10.548 12.820 2.227 1.00 61.40 H new ATOM 0 HA THR A 41 12.471 12.040 0.256 1.00 21.31 H new ATOM 0 HB THR A 41 12.710 11.386 2.607 1.00 11.20 H new ATOM 0 HG1 THR A 41 12.365 9.403 0.603 1.00 50.03 H new ATOM 0 HG21 THR A 41 11.185 9.737 3.630 1.00 40.10 H new ATOM 0 HG22 THR A 41 10.337 11.244 3.207 1.00 40.10 H new ATOM 0 HG23 THR A 41 10.152 9.801 2.182 1.00 40.10 H new ATOM 627 N ALA A 42 9.460 11.312 -0.289 1.00 33.42 N ATOM 628 CA ALA A 42 8.516 10.623 -1.159 1.00 33.24 C ATOM 629 C ALA A 42 7.556 11.608 -1.818 1.00 22.22 C ATOM 630 O ALA A 42 6.457 11.239 -2.228 1.00 41.33 O ATOM 631 CB ALA A 42 7.741 9.576 -0.371 1.00 72.43 C ATOM 0 H ALA A 42 9.081 12.136 0.178 1.00 33.42 H new ATOM 0 HA ALA A 42 9.082 10.126 -1.947 1.00 33.24 H new ATOM 0 HB1 ALA A 42 7.039 9.068 -1.033 1.00 72.43 H new ATOM 0 HB2 ALA A 42 8.436 8.848 0.048 1.00 72.43 H new ATOM 0 HB3 ALA A 42 7.193 10.061 0.437 1.00 72.43 H new ATOM 637 N ALA A 43 7.978 12.864 -1.915 1.00 12.24 N ATOM 638 CA ALA A 43 7.157 13.902 -2.526 1.00 72.33 C ATOM 639 C ALA A 43 7.945 15.198 -2.692 1.00 51.10 C ATOM 640 O ALA A 43 8.988 15.387 -2.067 1.00 33.12 O ATOM 641 CB ALA A 43 5.907 14.145 -1.691 1.00 43.44 C ATOM 0 H ALA A 43 8.885 13.188 -1.578 1.00 12.24 H new ATOM 0 HA ALA A 43 6.858 13.559 -3.517 1.00 72.33 H new ATOM 0 HB1 ALA A 43 5.303 14.922 -2.158 1.00 43.44 H new ATOM 0 HB2 ALA A 43 5.327 13.224 -1.627 1.00 43.44 H new ATOM 0 HB3 ALA A 43 6.195 14.463 -0.689 1.00 43.44 H new ATOM 647 N PHE A 44 7.438 16.087 -3.540 1.00 14.41 N ATOM 648 CA PHE A 44 8.094 17.365 -3.790 1.00 61.30 C ATOM 649 C PHE A 44 7.077 18.502 -3.822 1.00 33.54 C ATOM 650 O PHE A 44 5.869 18.269 -3.855 1.00 25.14 O ATOM 651 CB PHE A 44 8.864 17.317 -5.112 1.00 4.30 C ATOM 652 CG PHE A 44 8.014 16.927 -6.286 1.00 44.33 C ATOM 653 CD1 PHE A 44 7.729 15.595 -6.540 1.00 14.45 C ATOM 654 CD2 PHE A 44 7.499 17.891 -7.136 1.00 25.23 C ATOM 655 CE1 PHE A 44 6.948 15.233 -7.622 1.00 52.44 C ATOM 656 CE2 PHE A 44 6.716 17.536 -8.219 1.00 31.10 C ATOM 657 CZ PHE A 44 6.440 16.204 -8.460 1.00 44.43 C ATOM 0 H PHE A 44 6.575 15.946 -4.065 1.00 14.41 H new ATOM 0 HA PHE A 44 8.794 17.551 -2.976 1.00 61.30 H new ATOM 0 HB2 PHE A 44 9.305 18.295 -5.302 1.00 4.30 H new ATOM 0 HB3 PHE A 44 9.687 16.609 -5.018 1.00 4.30 H new ATOM 0 HD1 PHE A 44 8.121 14.831 -5.885 1.00 14.45 H new ATOM 0 HD2 PHE A 44 7.712 18.934 -6.951 1.00 25.23 H new ATOM 0 HE1 PHE A 44 6.736 14.191 -7.811 1.00 52.44 H new ATOM 0 HE2 PHE A 44 6.321 18.298 -8.875 1.00 31.10 H new ATOM 0 HZ PHE A 44 5.827 15.923 -9.304 1.00 44.43 H new ATOM 667 N HIS A 45 7.576 19.734 -3.810 1.00 30.01 N ATOM 668 CA HIS A 45 6.712 20.909 -3.838 1.00 13.52 C ATOM 669 C HIS A 45 6.892 21.685 -5.139 1.00 32.25 C ATOM 670 O HIS A 45 7.816 21.423 -5.907 1.00 34.05 O ATOM 671 CB HIS A 45 7.010 21.816 -2.643 1.00 41.02 C ATOM 672 CG HIS A 45 8.267 22.616 -2.798 1.00 44.22 C ATOM 673 ND1 HIS A 45 9.497 22.178 -2.355 1.00 74.21 N ATOM 674 CD2 HIS A 45 8.479 23.833 -3.352 1.00 33.33 C ATOM 675 CE1 HIS A 45 10.411 23.091 -2.630 1.00 71.35 C ATOM 676 NE2 HIS A 45 9.820 24.106 -3.234 1.00 4.31 N ATOM 0 H HIS A 45 8.574 19.945 -3.781 1.00 30.01 H new ATOM 0 HA HIS A 45 5.678 20.571 -3.778 1.00 13.52 H new ATOM 0 HB2 HIS A 45 6.172 22.497 -2.496 1.00 41.02 H new ATOM 0 HB3 HIS A 45 7.086 21.205 -1.744 1.00 41.02 H new ATOM 0 HD2 HIS A 45 7.733 24.470 -3.803 1.00 33.33 H new ATOM 0 HE1 HIS A 45 11.464 23.020 -2.400 1.00 71.35 H new ATOM 0 HE2 HIS A 45 10.284 24.954 -3.560 1.00 4.31 H new ATOM 684 N GLY A 46 6.001 22.644 -5.379 1.00 15.53 N ATOM 685 CA GLY A 46 6.079 23.442 -6.588 1.00 51.15 C ATOM 686 C GLY A 46 4.818 24.247 -6.833 1.00 30.33 C ATOM 687 O GLY A 46 3.754 23.925 -6.305 1.00 1.11 O ATOM 0 H GLY A 46 5.228 22.881 -4.758 1.00 15.53 H new ATOM 0 HA2 GLY A 46 6.931 24.119 -6.519 1.00 51.15 H new ATOM 0 HA3 GLY A 46 6.260 22.788 -7.441 1.00 51.15 H new ATOM 691 N CYS A 47 4.937 25.300 -7.635 1.00 73.31 N ATOM 692 CA CYS A 47 3.799 26.156 -7.948 1.00 12.40 C ATOM 693 C CYS A 47 3.426 26.047 -9.423 1.00 61.22 C ATOM 694 O CYS A 47 4.238 26.327 -10.303 1.00 61.52 O ATOM 695 CB CYS A 47 4.116 27.611 -7.597 1.00 0.44 C ATOM 696 SG CYS A 47 3.544 28.119 -5.944 1.00 52.01 S ATOM 0 H CYS A 47 5.811 25.581 -8.080 1.00 73.31 H new ATOM 0 HA CYS A 47 2.950 25.822 -7.351 1.00 12.40 H new ATOM 0 HB2 CYS A 47 5.194 27.762 -7.659 1.00 0.44 H new ATOM 0 HB3 CYS A 47 3.660 28.261 -8.343 1.00 0.44 H new ATOM 701 N GLY A 48 2.188 25.636 -9.686 1.00 51.40 N ATOM 702 CA GLY A 48 1.728 25.497 -11.056 1.00 22.12 C ATOM 703 C GLY A 48 0.259 25.135 -11.140 1.00 74.05 C ATOM 704 O GLY A 48 -0.505 25.387 -10.208 1.00 74.34 O ATOM 0 H GLY A 48 1.496 25.397 -8.975 1.00 51.40 H new ATOM 0 HA2 GLY A 48 1.900 26.431 -11.590 1.00 22.12 H new ATOM 0 HA3 GLY A 48 2.317 24.730 -11.558 1.00 22.12 H new ATOM 708 N ARG A 49 -0.139 24.541 -12.260 1.00 34.44 N ATOM 709 CA ARG A 49 -1.528 24.146 -12.464 1.00 43.42 C ATOM 710 C ARG A 49 -1.618 22.690 -12.912 1.00 72.42 C ATOM 711 O ARG A 49 -1.488 22.386 -14.097 1.00 32.25 O ATOM 712 CB ARG A 49 -2.191 25.052 -13.503 1.00 63.11 C ATOM 713 CG ARG A 49 -2.109 26.531 -13.163 1.00 51.12 C ATOM 714 CD ARG A 49 -2.178 27.394 -14.412 1.00 22.53 C ATOM 715 NE ARG A 49 -0.880 27.507 -15.071 1.00 64.14 N ATOM 716 CZ ARG A 49 -0.586 28.454 -15.956 1.00 64.40 C ATOM 717 NH1 ARG A 49 -1.491 29.365 -16.283 1.00 71.52 N1+ ATOM 718 NH2 ARG A 49 0.618 28.491 -16.514 1.00 63.11 N ATOM 0 H ARG A 49 0.481 24.323 -13.040 1.00 34.44 H new ATOM 0 HA ARG A 49 -2.053 24.250 -11.514 1.00 43.42 H new ATOM 0 HB2 ARG A 49 -1.721 24.884 -14.472 1.00 63.11 H new ATOM 0 HB3 ARG A 49 -3.239 24.769 -13.604 1.00 63.11 H new ATOM 0 HG2 ARG A 49 -2.925 26.797 -12.490 1.00 51.12 H new ATOM 0 HG3 ARG A 49 -1.179 26.732 -12.631 1.00 51.12 H new ATOM 0 HD2 ARG A 49 -2.902 26.968 -15.107 1.00 22.53 H new ATOM 0 HD3 ARG A 49 -2.538 28.388 -14.146 1.00 22.53 H new ATOM 0 HE ARG A 49 -0.160 26.822 -14.840 1.00 64.14 H new ATOM 0 HH11 ARG A 49 -2.417 29.341 -15.855 1.00 71.52 H new ATOM 0 HH12 ARG A 49 -1.262 30.090 -16.963 1.00 71.52 H new ATOM 0 HH21 ARG A 49 1.318 27.792 -16.264 1.00 63.11 H new ATOM 0 HH22 ARG A 49 0.843 29.218 -17.193 1.00 63.11 H new ATOM 732 N ILE A 50 -1.840 21.795 -11.955 1.00 45.20 N ATOM 733 CA ILE A 50 -1.949 20.372 -12.251 1.00 24.22 C ATOM 734 C ILE A 50 -3.404 19.960 -12.446 1.00 32.02 C ATOM 735 O ILE A 50 -3.745 18.783 -12.341 1.00 4.22 O ATOM 736 CB ILE A 50 -1.331 19.515 -11.130 1.00 43.24 C ATOM 737 CG1 ILE A 50 -1.968 19.863 -9.783 1.00 33.24 C ATOM 738 CG2 ILE A 50 0.175 19.719 -11.077 1.00 11.30 C ATOM 739 CD1 ILE A 50 -1.908 18.733 -8.777 1.00 33.13 C ATOM 0 H ILE A 50 -1.948 22.030 -10.968 1.00 45.20 H new ATOM 0 HA ILE A 50 -1.398 20.200 -13.176 1.00 24.22 H new ATOM 0 HB ILE A 50 -1.529 18.465 -11.344 1.00 43.24 H new ATOM 0 HG12 ILE A 50 -1.465 20.736 -9.367 1.00 33.24 H new ATOM 0 HG13 ILE A 50 -3.010 20.141 -9.944 1.00 33.24 H new ATOM 0 HG21 ILE A 50 0.597 19.107 -10.280 1.00 11.30 H new ATOM 0 HG22 ILE A 50 0.615 19.428 -12.031 1.00 11.30 H new ATOM 0 HG23 ILE A 50 0.393 20.769 -10.882 1.00 11.30 H new ATOM 0 HD11 ILE A 50 -2.378 19.050 -7.846 1.00 33.13 H new ATOM 0 HD12 ILE A 50 -2.436 17.865 -9.173 1.00 33.13 H new ATOM 0 HD13 ILE A 50 -0.867 18.470 -8.587 1.00 33.13 H new ATOM 751 N TRP A 51 -4.256 20.938 -12.734 1.00 65.10 N ATOM 752 CA TRP A 51 -5.675 20.676 -12.947 1.00 64.31 C ATOM 753 C TRP A 51 -6.242 21.594 -14.024 1.00 21.13 C ATOM 754 O TRP A 51 -5.715 22.673 -14.293 1.00 63.40 O ATOM 755 CB TRP A 51 -6.450 20.864 -11.641 1.00 25.32 C ATOM 756 CG TRP A 51 -6.175 19.794 -10.628 1.00 35.44 C ATOM 757 CD1 TRP A 51 -5.659 19.965 -9.375 1.00 65.11 C ATOM 758 CD2 TRP A 51 -6.398 18.388 -10.783 1.00 50.02 C ATOM 759 NE1 TRP A 51 -5.549 18.751 -8.742 1.00 72.11 N ATOM 760 CE2 TRP A 51 -5.997 17.768 -9.584 1.00 35.13 C ATOM 761 CE3 TRP A 51 -6.900 17.595 -11.817 1.00 1.24 C ATOM 762 CZ2 TRP A 51 -6.081 16.391 -9.394 1.00 0.23 C ATOM 763 CZ3 TRP A 51 -6.985 16.228 -11.627 1.00 32.24 C ATOM 764 CH2 TRP A 51 -6.578 15.638 -10.423 1.00 32.35 C ATOM 0 H TRP A 51 -3.989 21.918 -12.825 1.00 65.10 H new ATOM 0 HA TRP A 51 -5.783 19.644 -13.281 1.00 64.31 H new ATOM 0 HB2 TRP A 51 -6.196 21.834 -11.213 1.00 25.32 H new ATOM 0 HB3 TRP A 51 -7.518 20.882 -11.860 1.00 25.32 H new ATOM 0 HD1 TRP A 51 -5.379 20.915 -8.945 1.00 65.11 H new ATOM 0 HE1 TRP A 51 -5.192 18.605 -7.798 1.00 72.11 H new ATOM 0 HE3 TRP A 51 -7.216 18.041 -12.748 1.00 1.24 H new ATOM 0 HZ2 TRP A 51 -5.765 15.934 -8.468 1.00 0.23 H new ATOM 0 HZ3 TRP A 51 -7.372 15.605 -12.420 1.00 32.24 H new ATOM 0 HH2 TRP A 51 -6.658 14.567 -10.305 1.00 32.35 H new ATOM 775 N PRO A 52 -7.341 21.157 -14.657 1.00 33.22 N ATOM 776 CA PRO A 52 -8.003 21.925 -15.715 1.00 11.42 C ATOM 777 C PRO A 52 -8.689 23.178 -15.181 1.00 61.34 C ATOM 778 O PRO A 52 -8.708 24.217 -15.840 1.00 42.35 O ATOM 779 CB PRO A 52 -9.038 20.943 -16.271 1.00 73.34 C ATOM 780 CG PRO A 52 -9.313 20.007 -15.146 1.00 72.40 C ATOM 781 CD PRO A 52 -8.022 19.879 -14.387 1.00 33.43 C ATOM 0 HA PRO A 52 -7.294 22.286 -16.460 1.00 11.42 H new ATOM 0 HB2 PRO A 52 -9.944 21.460 -16.587 1.00 73.34 H new ATOM 0 HB3 PRO A 52 -8.653 20.413 -17.142 1.00 73.34 H new ATOM 0 HG2 PRO A 52 -10.106 20.391 -14.504 1.00 72.40 H new ATOM 0 HG3 PRO A 52 -9.645 19.037 -15.518 1.00 72.40 H new ATOM 0 HD2 PRO A 52 -8.195 19.733 -13.321 1.00 33.43 H new ATOM 0 HD3 PRO A 52 -7.434 19.029 -14.734 1.00 33.43 H new ATOM 789 N LYS A 53 -9.253 23.071 -13.982 1.00 42.35 N ATOM 790 CA LYS A 53 -9.940 24.195 -13.357 1.00 54.32 C ATOM 791 C LYS A 53 -9.035 25.422 -13.301 1.00 33.53 C ATOM 792 O LYS A 53 -9.480 26.545 -13.545 1.00 74.30 O ATOM 793 CB LYS A 53 -10.395 23.820 -11.945 1.00 22.44 C ATOM 794 CG LYS A 53 -11.785 24.320 -11.599 1.00 55.12 C ATOM 795 CD LYS A 53 -12.834 23.240 -11.802 1.00 65.22 C ATOM 796 CE LYS A 53 -13.272 23.152 -13.256 1.00 22.10 C ATOM 797 NZ LYS A 53 -14.746 22.980 -13.381 1.00 32.33 N1+ ATOM 0 H LYS A 53 -9.248 22.217 -13.424 1.00 42.35 H new ATOM 0 HA LYS A 53 -10.814 24.436 -13.962 1.00 54.32 H new ATOM 0 HB2 LYS A 53 -10.373 22.735 -11.842 1.00 22.44 H new ATOM 0 HB3 LYS A 53 -9.684 24.223 -11.224 1.00 22.44 H new ATOM 0 HG2 LYS A 53 -11.804 24.656 -10.562 1.00 55.12 H new ATOM 0 HG3 LYS A 53 -12.026 25.184 -12.219 1.00 55.12 H new ATOM 0 HD2 LYS A 53 -12.433 22.278 -11.483 1.00 65.22 H new ATOM 0 HD3 LYS A 53 -13.699 23.449 -11.173 1.00 65.22 H new ATOM 0 HE2 LYS A 53 -12.966 24.056 -13.783 1.00 22.10 H new ATOM 0 HE3 LYS A 53 -12.766 22.315 -13.738 1.00 22.10 H new ATOM 0 HZ1 LYS A 53 -15.005 22.924 -14.387 1.00 32.33 H new ATOM 0 HZ2 LYS A 53 -15.035 22.105 -12.900 1.00 32.33 H new ATOM 0 HZ3 LYS A 53 -15.228 23.791 -12.944 1.00 32.33 H new ATOM 811 N ASP A 54 -7.765 25.201 -12.983 1.00 52.15 N ATOM 812 CA ASP A 54 -6.797 26.291 -12.899 1.00 1.22 C ATOM 813 C ASP A 54 -6.403 26.774 -14.290 1.00 22.44 C ATOM 814 O ASP A 54 -6.056 27.940 -14.478 1.00 3.21 O ATOM 815 CB ASP A 54 -5.555 25.838 -12.130 1.00 23.13 C ATOM 816 CG ASP A 54 -5.886 25.325 -10.742 1.00 24.34 C ATOM 817 OD1 ASP A 54 -7.062 25.440 -10.334 1.00 70.21 O1- ATOM 818 OD2 ASP A 54 -4.972 24.812 -10.064 1.00 52.31 O ATOM 0 H ASP A 54 -7.381 24.278 -12.779 1.00 52.15 H new ATOM 0 HA ASP A 54 -7.262 27.120 -12.365 1.00 1.22 H new ATOM 0 HB2 ASP A 54 -5.049 25.053 -12.693 1.00 23.13 H new ATOM 0 HB3 ASP A 54 -4.858 26.672 -12.049 1.00 23.13 H new ATOM 823 N LYS A 55 -6.456 25.871 -15.262 1.00 0.11 N ATOM 824 CA LYS A 55 -6.104 26.205 -16.638 1.00 71.30 C ATOM 825 C LYS A 55 -7.002 27.312 -17.176 1.00 30.04 C ATOM 826 O LYS A 55 -6.545 28.202 -17.892 1.00 33.44 O ATOM 827 CB LYS A 55 -6.214 24.965 -17.529 1.00 4.34 C ATOM 828 CG LYS A 55 -4.878 24.481 -18.065 1.00 61.13 C ATOM 829 CD LYS A 55 -4.819 22.963 -18.127 1.00 32.24 C ATOM 830 CE LYS A 55 -3.447 22.477 -18.571 1.00 73.20 C ATOM 831 NZ LYS A 55 -2.491 22.399 -17.432 1.00 23.02 N1+ ATOM 0 H LYS A 55 -6.739 24.901 -15.123 1.00 0.11 H new ATOM 0 HA LYS A 55 -5.074 26.561 -16.647 1.00 71.30 H new ATOM 0 HB2 LYS A 55 -6.681 24.160 -16.961 1.00 4.34 H new ATOM 0 HB3 LYS A 55 -6.873 25.188 -18.368 1.00 4.34 H new ATOM 0 HG2 LYS A 55 -4.713 24.893 -19.060 1.00 61.13 H new ATOM 0 HG3 LYS A 55 -4.074 24.852 -17.429 1.00 61.13 H new ATOM 0 HD2 LYS A 55 -5.054 22.548 -17.147 1.00 32.24 H new ATOM 0 HD3 LYS A 55 -5.578 22.596 -18.818 1.00 32.24 H new ATOM 0 HE2 LYS A 55 -3.542 21.495 -19.033 1.00 73.20 H new ATOM 0 HE3 LYS A 55 -3.052 23.150 -19.331 1.00 73.20 H new ATOM 0 HZ1 LYS A 55 -1.568 22.064 -17.776 1.00 23.02 H new ATOM 0 HZ2 LYS A 55 -2.381 23.341 -17.006 1.00 23.02 H new ATOM 0 HZ3 LYS A 55 -2.855 21.737 -16.718 1.00 23.02 H new ATOM 845 N ARG A 56 -8.283 27.251 -16.826 1.00 42.23 N ATOM 846 CA ARG A 56 -9.247 28.250 -17.274 1.00 60.15 C ATOM 847 C ARG A 56 -8.951 29.610 -16.649 1.00 33.12 C ATOM 848 O ARG A 56 -9.038 30.641 -17.314 1.00 23.12 O ATOM 849 CB ARG A 56 -10.670 27.812 -16.920 1.00 63.23 C ATOM 850 CG ARG A 56 -10.937 26.339 -17.182 1.00 4.43 C ATOM 851 CD ARG A 56 -12.403 25.994 -16.972 1.00 71.40 C ATOM 852 NE ARG A 56 -13.263 26.631 -17.964 1.00 11.52 N ATOM 853 CZ ARG A 56 -13.854 27.806 -17.777 1.00 41.21 C ATOM 854 NH1 ARG A 56 -13.679 28.468 -16.642 1.00 51.32 N1+ ATOM 855 NH2 ARG A 56 -14.623 28.322 -18.728 1.00 63.40 N ATOM 0 H ARG A 56 -8.678 26.520 -16.234 1.00 42.23 H new ATOM 0 HA ARG A 56 -9.161 28.341 -18.357 1.00 60.15 H new ATOM 0 HB2 ARG A 56 -10.855 28.024 -15.867 1.00 63.23 H new ATOM 0 HB3 ARG A 56 -11.378 28.409 -17.495 1.00 63.23 H new ATOM 0 HG2 ARG A 56 -10.646 26.091 -18.203 1.00 4.43 H new ATOM 0 HG3 ARG A 56 -10.320 25.732 -16.519 1.00 4.43 H new ATOM 0 HD2 ARG A 56 -12.532 24.913 -17.022 1.00 71.40 H new ATOM 0 HD3 ARG A 56 -12.709 26.306 -15.973 1.00 71.40 H new ATOM 0 HE ARG A 56 -13.419 26.148 -18.849 1.00 11.52 H new ATOM 0 HH11 ARG A 56 -13.089 28.076 -15.908 1.00 51.32 H new ATOM 0 HH12 ARG A 56 -14.134 29.370 -16.502 1.00 51.32 H new ATOM 0 HH21 ARG A 56 -14.760 27.816 -19.603 1.00 63.40 H new ATOM 0 HH22 ARG A 56 -15.076 29.224 -18.584 1.00 63.40 H new ATOM 869 N GLU A 57 -8.601 29.602 -15.366 1.00 1.14 N ATOM 870 CA GLU A 57 -8.293 30.835 -14.652 1.00 73.50 C ATOM 871 C GLU A 57 -6.889 31.328 -14.994 1.00 75.12 C ATOM 872 O GLU A 57 -6.540 32.478 -14.728 1.00 65.11 O ATOM 873 CB GLU A 57 -8.416 30.620 -13.141 1.00 24.12 C ATOM 874 CG GLU A 57 -9.852 30.512 -12.657 1.00 62.23 C ATOM 875 CD GLU A 57 -10.006 30.909 -11.201 1.00 4.11 C ATOM 876 OE1 GLU A 57 -9.708 32.073 -10.867 1.00 2.34 O ATOM 877 OE2 GLU A 57 -10.429 30.051 -10.396 1.00 34.10 O1- ATOM 0 H GLU A 57 -8.524 28.756 -14.801 1.00 1.14 H new ATOM 0 HA GLU A 57 -9.011 31.593 -14.964 1.00 73.50 H new ATOM 0 HB2 GLU A 57 -7.880 29.712 -12.867 1.00 24.12 H new ATOM 0 HB3 GLU A 57 -7.928 31.446 -12.624 1.00 24.12 H new ATOM 0 HG2 GLU A 57 -10.488 31.148 -13.273 1.00 62.23 H new ATOM 0 HG3 GLU A 57 -10.201 29.488 -12.790 1.00 62.23 H new ATOM 884 N LYS A 58 -6.089 30.447 -15.587 1.00 50.53 N ATOM 885 CA LYS A 58 -4.723 30.790 -15.967 1.00 42.02 C ATOM 886 C LYS A 58 -3.962 31.383 -14.786 1.00 73.23 C ATOM 887 O LYS A 58 -3.452 32.501 -14.862 1.00 73.04 O ATOM 888 CB LYS A 58 -4.730 31.782 -17.133 1.00 61.50 C ATOM 889 CG LYS A 58 -5.432 31.256 -18.374 1.00 44.31 C ATOM 890 CD LYS A 58 -4.435 30.747 -19.403 1.00 22.35 C ATOM 891 CE LYS A 58 -4.208 29.250 -19.265 1.00 42.41 C ATOM 892 NZ LYS A 58 -2.819 28.862 -19.641 1.00 3.31 N1+ ATOM 0 H LYS A 58 -6.363 29.491 -15.815 1.00 50.53 H new ATOM 0 HA LYS A 58 -4.219 29.875 -16.279 1.00 42.02 H new ATOM 0 HB2 LYS A 58 -5.217 32.703 -16.813 1.00 61.50 H new ATOM 0 HB3 LYS A 58 -3.702 32.038 -17.388 1.00 61.50 H new ATOM 0 HG2 LYS A 58 -6.112 30.451 -18.095 1.00 44.31 H new ATOM 0 HG3 LYS A 58 -6.038 32.048 -18.814 1.00 44.31 H new ATOM 0 HD2 LYS A 58 -4.799 30.970 -20.406 1.00 22.35 H new ATOM 0 HD3 LYS A 58 -3.487 31.272 -19.284 1.00 22.35 H new ATOM 0 HE2 LYS A 58 -4.404 28.946 -18.237 1.00 42.41 H new ATOM 0 HE3 LYS A 58 -4.918 28.715 -19.896 1.00 42.41 H new ATOM 0 HZ1 LYS A 58 -2.705 27.834 -19.533 1.00 3.31 H new ATOM 0 HZ2 LYS A 58 -2.640 29.129 -20.630 1.00 3.31 H new ATOM 0 HZ3 LYS A 58 -2.142 29.352 -19.022 1.00 3.31 H new ATOM 906 N VAL A 59 -3.889 30.626 -13.695 1.00 2.35 N ATOM 907 CA VAL A 59 -3.187 31.075 -12.500 1.00 3.13 C ATOM 908 C VAL A 59 -2.474 29.918 -11.812 1.00 32.04 C ATOM 909 O VAL A 59 -3.076 28.879 -11.539 1.00 24.43 O ATOM 910 CB VAL A 59 -4.152 31.737 -11.498 1.00 0.14 C ATOM 911 CG1 VAL A 59 -5.264 30.774 -11.113 1.00 75.04 C ATOM 912 CG2 VAL A 59 -3.397 32.212 -10.265 1.00 61.33 C ATOM 0 H VAL A 59 -4.308 29.699 -13.615 1.00 2.35 H new ATOM 0 HA VAL A 59 -2.450 31.810 -12.824 1.00 3.13 H new ATOM 0 HB VAL A 59 -4.605 32.606 -11.976 1.00 0.14 H new ATOM 0 HG11 VAL A 59 -5.936 31.259 -10.405 1.00 75.04 H new ATOM 0 HG12 VAL A 59 -5.822 30.487 -12.004 1.00 75.04 H new ATOM 0 HG13 VAL A 59 -4.832 29.885 -10.653 1.00 75.04 H new ATOM 0 HG21 VAL A 59 -4.094 32.677 -9.568 1.00 61.33 H new ATOM 0 HG22 VAL A 59 -2.915 31.361 -9.783 1.00 61.33 H new ATOM 0 HG23 VAL A 59 -2.640 32.939 -10.560 1.00 61.33 H new ATOM 922 N ASP A 60 -1.189 30.102 -11.534 1.00 14.15 N ATOM 923 CA ASP A 60 -0.392 29.073 -10.877 1.00 22.51 C ATOM 924 C ASP A 60 -0.737 28.984 -9.394 1.00 13.20 C ATOM 925 O ASP A 60 -0.776 29.996 -8.693 1.00 44.21 O ATOM 926 CB ASP A 60 1.100 29.361 -11.050 1.00 60.44 C ATOM 927 CG ASP A 60 1.467 29.663 -12.490 1.00 44.41 C ATOM 928 OD1 ASP A 60 1.287 28.774 -13.346 1.00 43.53 O1- ATOM 929 OD2 ASP A 60 1.936 30.789 -12.759 1.00 45.21 O ATOM 0 H ASP A 60 -0.676 30.956 -11.754 1.00 14.15 H new ATOM 0 HA ASP A 60 -0.624 28.116 -11.345 1.00 22.51 H new ATOM 0 HB2 ASP A 60 1.379 30.207 -10.422 1.00 60.44 H new ATOM 0 HB3 ASP A 60 1.676 28.503 -10.703 1.00 60.44 H new ATOM 934 N ARG A 61 -0.987 27.767 -8.920 1.00 3.03 N ATOM 935 CA ARG A 61 -1.330 27.547 -7.520 1.00 14.00 C ATOM 936 C ARG A 61 -0.434 26.477 -6.902 1.00 1.23 C ATOM 937 O ARG A 61 0.203 25.700 -7.613 1.00 63.34 O ATOM 938 CB ARG A 61 -2.798 27.135 -7.392 1.00 5.22 C ATOM 939 CG ARG A 61 -3.760 28.084 -8.088 1.00 53.15 C ATOM 940 CD ARG A 61 -5.070 28.206 -7.324 1.00 54.13 C ATOM 941 NE ARG A 61 -6.003 27.134 -7.662 1.00 11.11 N ATOM 942 CZ ARG A 61 -7.252 27.079 -7.213 1.00 44.10 C ATOM 943 NH1 ARG A 61 -7.714 28.028 -6.413 1.00 75.50 N1+ ATOM 944 NH2 ARG A 61 -8.039 26.071 -7.564 1.00 12.20 N ATOM 0 H ARG A 61 -0.958 26.918 -9.485 1.00 3.03 H new ATOM 0 HA ARG A 61 -1.174 28.482 -6.982 1.00 14.00 H new ATOM 0 HB2 ARG A 61 -2.923 26.135 -7.807 1.00 5.22 H new ATOM 0 HB3 ARG A 61 -3.059 27.077 -6.335 1.00 5.22 H new ATOM 0 HG2 ARG A 61 -3.299 29.067 -8.182 1.00 53.15 H new ATOM 0 HG3 ARG A 61 -3.958 27.727 -9.099 1.00 53.15 H new ATOM 0 HD2 ARG A 61 -4.868 28.187 -6.253 1.00 54.13 H new ATOM 0 HD3 ARG A 61 -5.530 29.169 -7.544 1.00 54.13 H new ATOM 0 HE ARG A 61 -5.678 26.387 -8.276 1.00 11.11 H new ATOM 0 HH11 ARG A 61 -7.110 28.804 -6.140 1.00 75.50 H new ATOM 0 HH12 ARG A 61 -8.673 27.983 -6.070 1.00 75.50 H new ATOM 0 HH21 ARG A 61 -7.685 25.338 -8.179 1.00 12.20 H new ATOM 0 HH22 ARG A 61 -8.998 26.029 -7.219 1.00 12.20 H new ATOM 958 N CYS A 62 -0.390 26.445 -5.575 1.00 42.04 N ATOM 959 CA CYS A 62 0.428 25.472 -4.861 1.00 0.35 C ATOM 960 C CYS A 62 -0.063 24.052 -5.122 1.00 41.03 C ATOM 961 O CYS A 62 -1.257 23.770 -5.029 1.00 41.35 O ATOM 962 CB CYS A 62 0.407 25.762 -3.358 1.00 62.15 C ATOM 963 SG CYS A 62 1.193 24.472 -2.341 1.00 73.51 S ATOM 0 H CYS A 62 -0.911 27.082 -4.972 1.00 42.04 H new ATOM 0 HA CYS A 62 1.451 25.557 -5.227 1.00 0.35 H new ATOM 0 HB2 CYS A 62 0.911 26.711 -3.175 1.00 62.15 H new ATOM 0 HB3 CYS A 62 -0.627 25.883 -3.037 1.00 62.15 H new ATOM 968 N TYR A 63 0.866 23.161 -5.448 1.00 45.52 N ATOM 969 CA TYR A 63 0.528 21.771 -5.725 1.00 14.20 C ATOM 970 C TYR A 63 1.566 20.827 -5.125 1.00 21.05 C ATOM 971 O TYR A 63 2.753 21.152 -5.061 1.00 3.33 O ATOM 972 CB TYR A 63 0.427 21.538 -7.235 1.00 45.41 C ATOM 973 CG TYR A 63 1.767 21.480 -7.929 1.00 52.45 C ATOM 974 CD1 TYR A 63 2.464 20.283 -8.038 1.00 1.01 C ATOM 975 CD2 TYR A 63 2.337 22.622 -8.480 1.00 72.13 C ATOM 976 CE1 TYR A 63 3.690 20.225 -8.672 1.00 53.34 C ATOM 977 CE2 TYR A 63 3.563 22.573 -9.117 1.00 13.22 C ATOM 978 CZ TYR A 63 4.235 21.372 -9.210 1.00 70.24 C ATOM 979 OH TYR A 63 5.455 21.318 -9.844 1.00 43.32 O ATOM 0 H TYR A 63 1.860 23.377 -5.527 1.00 45.52 H new ATOM 0 HA TYR A 63 -0.438 21.562 -5.265 1.00 14.20 H new ATOM 0 HB2 TYR A 63 -0.107 20.605 -7.415 1.00 45.41 H new ATOM 0 HB3 TYR A 63 -0.168 22.336 -7.678 1.00 45.41 H new ATOM 0 HD1 TYR A 63 2.040 19.382 -7.620 1.00 1.01 H new ATOM 0 HD2 TYR A 63 1.813 23.564 -8.409 1.00 72.13 H new ATOM 0 HE1 TYR A 63 4.219 19.286 -8.746 1.00 53.34 H new ATOM 0 HE2 TYR A 63 3.992 23.470 -9.539 1.00 13.22 H new ATOM 0 HH TYR A 63 5.696 22.211 -10.167 1.00 43.32 H new ATOM 989 N ILE A 64 1.111 19.659 -4.685 1.00 55.33 N ATOM 990 CA ILE A 64 1.998 18.667 -4.091 1.00 5.43 C ATOM 991 C ILE A 64 1.695 17.270 -4.620 1.00 12.54 C ATOM 992 O ILE A 64 0.560 16.798 -4.542 1.00 4.15 O ATOM 993 CB ILE A 64 1.885 18.658 -2.555 1.00 2.33 C ATOM 994 CG1 ILE A 64 2.280 20.023 -1.984 1.00 75.43 C ATOM 995 CG2 ILE A 64 2.755 17.560 -1.966 1.00 44.01 C ATOM 996 CD1 ILE A 64 2.071 20.136 -0.491 1.00 11.12 C ATOM 0 H ILE A 64 0.132 19.376 -4.729 1.00 55.33 H new ATOM 0 HA ILE A 64 3.014 18.946 -4.371 1.00 5.43 H new ATOM 0 HB ILE A 64 0.849 18.458 -2.283 1.00 2.33 H new ATOM 0 HG12 ILE A 64 3.329 20.213 -2.211 1.00 75.43 H new ATOM 0 HG13 ILE A 64 1.700 20.799 -2.484 1.00 75.43 H new ATOM 0 HG21 ILE A 64 2.664 17.567 -0.880 1.00 44.01 H new ATOM 0 HG22 ILE A 64 2.431 16.593 -2.351 1.00 44.01 H new ATOM 0 HG23 ILE A 64 3.795 17.731 -2.244 1.00 44.01 H new ATOM 0 HD11 ILE A 64 2.372 21.129 -0.156 1.00 11.12 H new ATOM 0 HD12 ILE A 64 1.018 19.978 -0.258 1.00 11.12 H new ATOM 0 HD13 ILE A 64 2.672 19.383 0.019 1.00 11.12 H new ATOM 1008 N CYS A 65 2.717 16.612 -5.157 1.00 21.21 N ATOM 1009 CA CYS A 65 2.561 15.267 -5.697 1.00 73.21 C ATOM 1010 C CYS A 65 3.556 14.303 -5.056 1.00 10.41 C ATOM 1011 O CYS A 65 4.521 14.725 -4.421 1.00 53.41 O ATOM 1012 CB CYS A 65 2.754 15.280 -7.215 1.00 24.12 C ATOM 1013 SG CYS A 65 1.480 16.219 -8.118 1.00 3.43 S ATOM 0 H CYS A 65 3.662 16.989 -5.230 1.00 21.21 H new ATOM 0 HA CYS A 65 1.552 14.925 -5.467 1.00 73.21 H new ATOM 0 HB2 CYS A 65 3.732 15.704 -7.443 1.00 24.12 H new ATOM 0 HB3 CYS A 65 2.759 14.253 -7.579 1.00 24.12 H new ATOM 1018 N ASN A 66 3.312 13.008 -5.227 1.00 44.32 N ATOM 1019 CA ASN A 66 4.185 11.985 -4.664 1.00 53.41 C ATOM 1020 C ASN A 66 5.433 11.803 -5.523 1.00 40.54 C ATOM 1021 O ASN A 66 5.497 12.285 -6.653 1.00 42.44 O ATOM 1022 CB ASN A 66 3.437 10.656 -4.545 1.00 4.34 C ATOM 1023 CG ASN A 66 2.983 10.124 -5.891 1.00 53.40 C ATOM 1024 OD1 ASN A 66 2.957 10.855 -6.883 1.00 23.11 O ATOM 1025 ND2 ASN A 66 2.621 8.847 -5.932 1.00 12.22 N ATOM 0 H ASN A 66 2.517 12.642 -5.751 1.00 44.32 H new ATOM 0 HA ASN A 66 4.493 12.312 -3.671 1.00 53.41 H new ATOM 0 HB2 ASN A 66 4.083 9.920 -4.066 1.00 4.34 H new ATOM 0 HB3 ASN A 66 2.570 10.787 -3.898 1.00 4.34 H new ATOM 0 HD21 ASN A 66 2.305 8.434 -6.810 1.00 12.22 H new ATOM 0 HD22 ASN A 66 2.659 8.279 -5.086 1.00 12.22 H new ATOM 1032 N ASN A 67 6.423 11.103 -4.978 1.00 11.55 N ATOM 1033 CA ASN A 67 7.669 10.857 -5.694 1.00 15.23 C ATOM 1034 C ASN A 67 7.407 10.127 -7.010 1.00 64.24 C ATOM 1035 O ASN A 67 8.130 10.313 -7.987 1.00 61.44 O ATOM 1036 CB ASN A 67 8.627 10.037 -4.827 1.00 20.14 C ATOM 1037 CG ASN A 67 8.140 8.618 -4.612 1.00 74.45 C ATOM 1038 OD1 ASN A 67 8.556 7.694 -5.313 1.00 73.43 O ATOM 1039 ND2 ASN A 67 7.257 8.435 -3.638 1.00 24.13 N ATOM 0 H ASN A 67 6.386 10.696 -4.043 1.00 11.55 H new ATOM 0 HA ASN A 67 8.126 11.821 -5.918 1.00 15.23 H new ATOM 0 HB2 ASN A 67 9.610 10.014 -5.298 1.00 20.14 H new ATOM 0 HB3 ASN A 67 8.748 10.527 -3.861 1.00 20.14 H new ATOM 0 HD21 ASN A 67 6.896 7.501 -3.446 1.00 24.13 H new ATOM 0 HD22 ASN A 67 6.939 9.229 -3.082 1.00 24.13 H new ATOM 1046 N GLU A 68 6.366 9.301 -7.023 1.00 2.34 N ATOM 1047 CA GLU A 68 6.010 8.543 -8.217 1.00 64.21 C ATOM 1048 C GLU A 68 5.282 9.429 -9.225 1.00 23.15 C ATOM 1049 O GLU A 68 5.056 9.033 -10.368 1.00 62.10 O ATOM 1050 CB GLU A 68 5.132 7.347 -7.847 1.00 13.03 C ATOM 1051 CG GLU A 68 5.794 6.382 -6.879 1.00 32.42 C ATOM 1052 CD GLU A 68 6.485 5.231 -7.583 1.00 43.55 C ATOM 1053 OE1 GLU A 68 5.972 4.785 -8.632 1.00 12.11 O ATOM 1054 OE2 GLU A 68 7.536 4.774 -7.087 1.00 63.23 O1- ATOM 0 H GLU A 68 5.755 9.140 -6.222 1.00 2.34 H new ATOM 0 HA GLU A 68 6.931 8.180 -8.674 1.00 64.21 H new ATOM 0 HB2 GLU A 68 4.204 7.711 -7.406 1.00 13.03 H new ATOM 0 HB3 GLU A 68 4.863 6.809 -8.756 1.00 13.03 H new ATOM 0 HG2 GLU A 68 6.522 6.923 -6.274 1.00 32.42 H new ATOM 0 HG3 GLU A 68 5.043 5.986 -6.196 1.00 32.42 H new ATOM 1061 N LYS A 69 4.918 10.632 -8.792 1.00 71.44 N ATOM 1062 CA LYS A 69 4.217 11.576 -9.654 1.00 40.30 C ATOM 1063 C LYS A 69 2.935 10.960 -10.206 1.00 12.13 C ATOM 1064 O LYS A 69 2.440 11.368 -11.257 1.00 32.33 O ATOM 1065 CB LYS A 69 5.121 12.013 -10.808 1.00 41.01 C ATOM 1066 CG LYS A 69 6.177 13.029 -10.403 1.00 21.00 C ATOM 1067 CD LYS A 69 6.908 13.587 -11.612 1.00 71.15 C ATOM 1068 CE LYS A 69 8.186 14.307 -11.208 1.00 4.11 C ATOM 1069 NZ LYS A 69 8.711 15.163 -12.306 1.00 61.00 N1+ ATOM 0 H LYS A 69 5.097 10.976 -7.849 1.00 71.44 H new ATOM 0 HA LYS A 69 3.953 12.448 -9.056 1.00 40.30 H new ATOM 0 HB2 LYS A 69 5.615 11.135 -11.224 1.00 41.01 H new ATOM 0 HB3 LYS A 69 4.505 12.438 -11.600 1.00 41.01 H new ATOM 0 HG2 LYS A 69 5.707 13.844 -9.853 1.00 21.00 H new ATOM 0 HG3 LYS A 69 6.893 12.561 -9.728 1.00 21.00 H new ATOM 0 HD2 LYS A 69 7.148 12.776 -12.300 1.00 71.15 H new ATOM 0 HD3 LYS A 69 6.255 14.276 -12.147 1.00 71.15 H new ATOM 0 HE2 LYS A 69 7.994 14.922 -10.329 1.00 4.11 H new ATOM 0 HE3 LYS A 69 8.942 13.574 -10.926 1.00 4.11 H new ATOM 0 HZ1 LYS A 69 9.582 15.636 -11.991 1.00 61.00 H new ATOM 0 HZ2 LYS A 69 8.918 14.573 -13.137 1.00 61.00 H new ATOM 0 HZ3 LYS A 69 8.000 15.879 -12.558 1.00 61.00 H new ATOM 1083 N THR A 70 2.400 9.976 -9.489 1.00 30.31 N ATOM 1084 CA THR A 70 1.176 9.306 -9.906 1.00 22.31 C ATOM 1085 C THR A 70 -0.044 9.914 -9.225 1.00 43.33 C ATOM 1086 O THR A 70 -1.108 10.044 -9.832 1.00 43.31 O ATOM 1087 CB THR A 70 1.225 7.799 -9.593 1.00 53.45 C ATOM 1088 OG1 THR A 70 1.242 7.593 -8.175 1.00 5.25 O ATOM 1089 CG2 THR A 70 2.456 7.157 -10.217 1.00 43.40 C ATOM 0 H THR A 70 2.796 9.626 -8.617 1.00 30.31 H new ATOM 0 HA THR A 70 1.094 9.444 -10.984 1.00 22.31 H new ATOM 0 HB THR A 70 0.336 7.333 -10.017 1.00 53.45 H new ATOM 0 HG1 THR A 70 1.272 6.632 -7.984 1.00 5.25 H new ATOM 0 HG21 THR A 70 2.470 6.093 -9.983 1.00 43.40 H new ATOM 0 HG22 THR A 70 2.427 7.290 -11.298 1.00 43.40 H new ATOM 0 HG23 THR A 70 3.354 7.628 -9.817 1.00 43.40 H new ATOM 1097 N LEU A 71 0.115 10.287 -7.959 1.00 55.15 N ATOM 1098 CA LEU A 71 -0.975 10.884 -7.195 1.00 63.21 C ATOM 1099 C LEU A 71 -0.680 12.347 -6.877 1.00 74.32 C ATOM 1100 O LEU A 71 0.469 12.724 -6.645 1.00 71.24 O ATOM 1101 CB LEU A 71 -1.200 10.105 -5.898 1.00 51.23 C ATOM 1102 CG LEU A 71 -2.576 10.264 -5.250 1.00 34.13 C ATOM 1103 CD1 LEU A 71 -3.542 9.217 -5.780 1.00 32.00 C ATOM 1104 CD2 LEU A 71 -2.465 10.171 -3.735 1.00 23.13 C ATOM 0 H LEU A 71 0.988 10.186 -7.441 1.00 55.15 H new ATOM 0 HA LEU A 71 -1.879 10.838 -7.802 1.00 63.21 H new ATOM 0 HB2 LEU A 71 -1.036 9.047 -6.100 1.00 51.23 H new ATOM 0 HB3 LEU A 71 -0.443 10.413 -5.177 1.00 51.23 H new ATOM 0 HG LEU A 71 -2.965 11.249 -5.507 1.00 34.13 H new ATOM 0 HD11 LEU A 71 -4.515 9.347 -5.307 1.00 32.00 H new ATOM 0 HD12 LEU A 71 -3.645 9.330 -6.859 1.00 32.00 H new ATOM 0 HD13 LEU A 71 -3.159 8.222 -5.555 1.00 32.00 H new ATOM 0 HD21 LEU A 71 -3.453 10.286 -3.290 1.00 23.13 H new ATOM 0 HD22 LEU A 71 -2.054 9.200 -3.459 1.00 23.13 H new ATOM 0 HD23 LEU A 71 -1.808 10.960 -3.369 1.00 23.13 H new ATOM 1116 N CYS A 72 -1.726 13.167 -6.868 1.00 53.03 N ATOM 1117 CA CYS A 72 -1.580 14.588 -6.580 1.00 32.24 C ATOM 1118 C CYS A 72 -2.797 15.116 -5.825 1.00 44.23 C ATOM 1119 O CYS A 72 -3.825 14.443 -5.730 1.00 42.24 O ATOM 1120 CB CYS A 72 -1.388 15.377 -7.875 1.00 15.44 C ATOM 1121 SG CYS A 72 0.114 14.928 -8.803 1.00 43.01 S ATOM 0 H CYS A 72 -2.684 12.871 -7.057 1.00 53.03 H new ATOM 0 HA CYS A 72 -0.699 14.717 -5.952 1.00 32.24 H new ATOM 0 HB2 CYS A 72 -2.257 15.222 -8.514 1.00 15.44 H new ATOM 0 HB3 CYS A 72 -1.352 16.440 -7.638 1.00 15.44 H new ATOM 1126 N THR A 73 -2.676 16.327 -5.290 1.00 61.13 N ATOM 1127 CA THR A 73 -3.765 16.946 -4.544 1.00 22.22 C ATOM 1128 C THR A 73 -5.018 17.067 -5.401 1.00 44.15 C ATOM 1129 O THR A 73 -4.950 17.022 -6.629 1.00 61.12 O ATOM 1130 CB THR A 73 -3.370 18.344 -4.030 1.00 35.12 C ATOM 1131 OG1 THR A 73 -2.427 18.946 -4.924 1.00 31.14 O ATOM 1132 CG2 THR A 73 -2.770 18.259 -2.635 1.00 55.11 C ATOM 0 H THR A 73 -1.834 16.899 -5.360 1.00 61.13 H new ATOM 0 HA THR A 73 -3.973 16.299 -3.692 1.00 22.22 H new ATOM 0 HB THR A 73 -4.270 18.957 -3.984 1.00 35.12 H new ATOM 0 HG1 THR A 73 -2.182 19.835 -4.591 1.00 31.14 H new ATOM 0 HG21 THR A 73 -2.499 19.258 -2.294 1.00 55.11 H new ATOM 0 HG22 THR A 73 -3.500 17.827 -1.951 1.00 55.11 H new ATOM 0 HG23 THR A 73 -1.880 17.630 -2.659 1.00 55.11 H new ATOM 1140 N SER A 74 -6.164 17.223 -4.746 1.00 30.10 N ATOM 1141 CA SER A 74 -7.436 17.349 -5.449 1.00 62.43 C ATOM 1142 C SER A 74 -7.536 18.695 -6.157 1.00 35.40 C ATOM 1143 O SER A 74 -6.647 19.540 -6.039 1.00 60.23 O ATOM 1144 CB SER A 74 -8.602 17.186 -4.471 1.00 23.42 C ATOM 1145 OG SER A 74 -9.840 17.142 -5.157 1.00 21.12 O ATOM 0 H SER A 74 -6.238 17.265 -3.730 1.00 30.10 H new ATOM 0 HA SER A 74 -7.487 16.560 -6.199 1.00 62.43 H new ATOM 0 HB2 SER A 74 -8.470 16.272 -3.893 1.00 23.42 H new ATOM 0 HB3 SER A 74 -8.605 18.014 -3.762 1.00 23.42 H new ATOM 0 HG SER A 74 -10.569 17.036 -4.510 1.00 21.12 H new ATOM 1151 N VAL A 75 -8.623 18.891 -6.896 1.00 55.43 N ATOM 1152 CA VAL A 75 -8.840 20.135 -7.623 1.00 11.13 C ATOM 1153 C VAL A 75 -9.741 21.081 -6.838 1.00 25.41 C ATOM 1154 O VAL A 75 -9.712 22.295 -7.041 1.00 24.22 O ATOM 1155 CB VAL A 75 -9.468 19.875 -9.005 1.00 13.53 C ATOM 1156 CG1 VAL A 75 -10.870 19.303 -8.856 1.00 14.01 C ATOM 1157 CG2 VAL A 75 -9.491 21.154 -9.829 1.00 0.01 C ATOM 0 H VAL A 75 -9.368 18.203 -7.007 1.00 55.43 H new ATOM 0 HA VAL A 75 -7.862 20.597 -7.757 1.00 11.13 H new ATOM 0 HB VAL A 75 -8.856 19.142 -9.530 1.00 13.53 H new ATOM 0 HG11 VAL A 75 -11.297 19.126 -9.843 1.00 14.01 H new ATOM 0 HG12 VAL A 75 -10.823 18.363 -8.307 1.00 14.01 H new ATOM 0 HG13 VAL A 75 -11.495 20.010 -8.311 1.00 14.01 H new ATOM 0 HG21 VAL A 75 -9.938 20.952 -10.802 1.00 0.01 H new ATOM 0 HG22 VAL A 75 -10.079 21.911 -9.310 1.00 0.01 H new ATOM 0 HG23 VAL A 75 -8.472 21.517 -9.966 1.00 0.01 H new ATOM 1167 N MET A 76 -10.542 20.517 -5.939 1.00 43.31 N ATOM 1168 CA MET A 76 -11.451 21.311 -5.121 1.00 43.13 C ATOM 1169 C MET A 76 -11.792 20.583 -3.825 1.00 51.03 C ATOM 1170 O MET A 76 -12.155 19.406 -3.838 1.00 70.34 O ATOM 1171 CB MET A 76 -12.732 21.620 -5.898 1.00 71.42 C ATOM 1172 CG MET A 76 -12.629 22.859 -6.772 1.00 32.35 C ATOM 1173 SD MET A 76 -14.213 23.339 -7.488 1.00 71.52 S ATOM 1174 CE MET A 76 -14.559 21.920 -8.525 1.00 75.53 C ATOM 0 H MET A 76 -10.580 19.514 -5.759 1.00 43.31 H new ATOM 0 HA MET A 76 -10.952 22.247 -4.871 1.00 43.13 H new ATOM 0 HB2 MET A 76 -12.983 20.764 -6.524 1.00 71.42 H new ATOM 0 HB3 MET A 76 -13.553 21.750 -5.192 1.00 71.42 H new ATOM 0 HG2 MET A 76 -12.238 23.686 -6.179 1.00 32.35 H new ATOM 0 HG3 MET A 76 -11.913 22.675 -7.573 1.00 32.35 H new ATOM 0 HE1 MET A 76 -15.377 22.157 -9.205 1.00 75.53 H new ATOM 0 HE2 MET A 76 -13.670 21.666 -9.102 1.00 75.53 H new ATOM 0 HE3 MET A 76 -14.841 21.073 -7.900 1.00 75.53 H new TER 1184 MET A 76