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= -0.618 K(o=-0.91,f=-12!) USER MOD Set 1.2: A 70 THR OG1 : rot -131:sc= -0.294 USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 30 SER OG : rot 93:sc= 1.2 USER MOD Set 2.3: A 33 GLN : amide:sc= 0.245 K(o=1.4,f=-4.1) USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= 1 USER MOD Set 3.2: A 12 TYR OH : rot 79:sc= 1.19 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0536 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0631 USER MOD Single : A 4 SER OG : rot 180:sc= -0.0499 USER MOD Single : A 7 GLN : amide:sc=-0.00457 K(o=-0.0046,f=-2.3!) USER MOD Single : A 11 ASN : amide:sc= -0.335 X(o=-0.34,f=-0.041) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -3.77 K(o=-3.8,f=-2.8!) 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= 0.0606 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0531 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.697 K(o=-0.7,f=-1.4) 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+ -167:sc= -0.088 (180deg=-0.421) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.438 K(o=-0.44,f=-4.6!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0437 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 3.618 -0.587 -1.368 1.00 62.14 N ATOM 2 CA GLY A 1 2.213 -0.233 -1.295 1.00 72.30 C ATOM 3 C GLY A 1 1.828 0.830 -2.306 1.00 22.14 C ATOM 4 O GLY A 1 2.690 1.511 -2.861 1.00 61.32 O ATOM 0 H1 GLY A 1 3.714 -1.549 -1.752 1.00 62.14 H new ATOM 0 H2 GLY A 1 4.113 0.085 -1.989 1.00 62.14 H new ATOM 0 H3 GLY A 1 4.035 -0.551 -0.416 1.00 62.14 H new ATOM 0 HA2 GLY A 1 1.608 -1.124 -1.462 1.00 72.30 H new ATOM 0 HA3 GLY A 1 1.984 0.125 -0.291 1.00 72.30 H new ATOM 10 N THR A 2 0.528 0.969 -2.548 1.00 31.43 N ATOM 11 CA THR A 2 0.031 1.953 -3.502 1.00 21.31 C ATOM 12 C THR A 2 -0.069 3.334 -2.864 1.00 71.43 C ATOM 13 O THR A 2 -0.120 3.478 -1.642 1.00 32.13 O ATOM 14 CB THR A 2 -1.351 1.554 -4.053 1.00 31.02 C ATOM 15 OG1 THR A 2 -2.079 0.818 -3.063 1.00 74.52 O ATOM 16 CG2 THR A 2 -1.209 0.714 -5.313 1.00 63.13 C ATOM 0 H THR A 2 -0.199 0.413 -2.097 1.00 31.43 H new ATOM 0 HA THR A 2 0.746 1.985 -4.324 1.00 21.31 H new ATOM 0 HB THR A 2 -1.895 2.465 -4.302 1.00 31.02 H new ATOM 0 HG1 THR A 2 -2.957 0.569 -3.420 1.00 74.52 H new ATOM 0 HG21 THR A 2 -2.198 0.444 -5.684 1.00 63.13 H new ATOM 0 HG22 THR A 2 -0.680 1.287 -6.074 1.00 63.13 H new ATOM 0 HG23 THR A 2 -0.647 -0.192 -5.085 1.00 63.13 H new ATOM 24 N PRO A 3 -0.100 4.377 -3.709 1.00 22.24 N ATOM 25 CA PRO A 3 -0.195 5.765 -3.248 1.00 51.53 C ATOM 26 C PRO A 3 -1.561 6.085 -2.652 1.00 21.02 C ATOM 27 O PRO A 3 -2.560 5.450 -2.987 1.00 25.42 O ATOM 28 CB PRO A 3 0.033 6.577 -4.526 1.00 52.33 C ATOM 29 CG PRO A 3 -0.383 5.669 -5.632 1.00 61.01 C ATOM 30 CD PRO A 3 -0.043 4.278 -5.177 1.00 71.24 C ATOM 0 HA PRO A 3 0.520 5.982 -2.454 1.00 51.53 H new ATOM 0 HB2 PRO A 3 -0.557 7.493 -4.523 1.00 52.33 H new ATOM 0 HB3 PRO A 3 1.078 6.871 -4.627 1.00 52.33 H new ATOM 0 HG2 PRO A 3 -1.450 5.763 -5.834 1.00 61.01 H new ATOM 0 HG3 PRO A 3 0.139 5.916 -6.556 1.00 61.01 H new ATOM 0 HD2 PRO A 3 -0.754 3.545 -5.558 1.00 71.24 H new ATOM 0 HD3 PRO A 3 0.945 3.973 -5.521 1.00 71.24 H new ATOM 38 N SER A 4 -1.596 7.074 -1.764 1.00 53.30 N ATOM 39 CA SER A 4 -2.839 7.476 -1.116 1.00 1.23 C ATOM 40 C SER A 4 -2.846 8.977 -0.839 1.00 70.21 C ATOM 41 O SER A 4 -1.865 9.671 -1.098 1.00 72.45 O ATOM 42 CB SER A 4 -3.032 6.704 0.190 1.00 45.22 C ATOM 43 OG SER A 4 -2.767 5.324 0.008 1.00 21.10 O ATOM 0 H SER A 4 -0.778 7.611 -1.477 1.00 53.30 H new ATOM 0 HA SER A 4 -3.663 7.244 -1.791 1.00 1.23 H new ATOM 0 HB2 SER A 4 -2.370 7.107 0.956 1.00 45.22 H new ATOM 0 HB3 SER A 4 -4.053 6.838 0.548 1.00 45.22 H new ATOM 0 HG SER A 4 -2.896 4.851 0.857 1.00 21.10 H new ATOM 49 N ALA A 5 -3.962 9.468 -0.311 1.00 44.51 N ATOM 50 CA ALA A 5 -4.098 10.885 0.004 1.00 71.53 C ATOM 51 C ALA A 5 -3.049 11.325 1.019 1.00 64.50 C ATOM 52 O ALA A 5 -2.714 12.507 1.107 1.00 75.23 O ATOM 53 CB ALA A 5 -5.496 11.178 0.529 1.00 50.33 C ATOM 0 H ALA A 5 -4.785 8.906 -0.092 1.00 44.51 H new ATOM 0 HA ALA A 5 -3.939 11.452 -0.914 1.00 71.53 H new ATOM 0 HB1 ALA A 5 -5.583 12.240 0.760 1.00 50.33 H new ATOM 0 HB2 ALA A 5 -6.233 10.910 -0.228 1.00 50.33 H new ATOM 0 HB3 ALA A 5 -5.675 10.594 1.432 1.00 50.33 H new ATOM 59 N ASP A 6 -2.532 10.368 1.782 1.00 73.12 N ATOM 60 CA ASP A 6 -1.519 10.658 2.791 1.00 73.34 C ATOM 61 C ASP A 6 -0.177 10.975 2.138 1.00 50.31 C ATOM 62 O ASP A 6 0.652 11.680 2.712 1.00 61.44 O ATOM 63 CB ASP A 6 -1.367 9.473 3.746 1.00 32.21 C ATOM 64 CG ASP A 6 -0.676 9.858 5.039 1.00 10.24 C ATOM 65 OD1 ASP A 6 0.573 9.856 5.067 1.00 60.32 O1- ATOM 66 OD2 ASP A 6 -1.382 10.159 6.025 1.00 72.44 O ATOM 0 H ASP A 6 -2.797 9.385 1.721 1.00 73.12 H new ATOM 0 HA ASP A 6 -1.844 11.532 3.356 1.00 73.34 H new ATOM 0 HB2 ASP A 6 -2.351 9.063 3.971 1.00 32.21 H new ATOM 0 HB3 ASP A 6 -0.798 8.684 3.254 1.00 32.21 H new ATOM 71 N GLN A 7 0.029 10.448 0.934 1.00 61.34 N ATOM 72 CA GLN A 7 1.272 10.674 0.206 1.00 33.32 C ATOM 73 C GLN A 7 1.335 12.101 -0.332 1.00 30.12 C ATOM 74 O GLN A 7 2.418 12.659 -0.513 1.00 65.14 O ATOM 75 CB GLN A 7 1.400 9.677 -0.947 1.00 3.44 C ATOM 76 CG GLN A 7 2.060 8.367 -0.548 1.00 3.33 C ATOM 77 CD GLN A 7 3.566 8.487 -0.425 1.00 3.22 C ATOM 78 OE1 GLN A 7 4.245 8.908 -1.362 1.00 64.11 O ATOM 79 NE2 GLN A 7 4.098 8.118 0.734 1.00 43.14 N ATOM 0 H GLN A 7 -0.648 9.863 0.444 1.00 61.34 H new ATOM 0 HA GLN A 7 2.101 10.528 0.898 1.00 33.32 H new ATOM 0 HB2 GLN A 7 0.408 9.467 -1.347 1.00 3.44 H new ATOM 0 HB3 GLN A 7 1.977 10.135 -1.750 1.00 3.44 H new ATOM 0 HG2 GLN A 7 1.647 8.031 0.403 1.00 3.33 H new ATOM 0 HG3 GLN A 7 1.819 7.603 -1.287 1.00 3.33 H new ATOM 0 HE21 GLN A 7 3.498 7.775 1.484 1.00 43.14 H new ATOM 0 HE22 GLN A 7 5.107 8.178 0.874 1.00 43.14 H new ATOM 88 N VAL A 8 0.168 12.685 -0.585 1.00 11.23 N ATOM 89 CA VAL A 8 0.091 14.046 -1.101 1.00 70.32 C ATOM 90 C VAL A 8 -0.097 15.052 0.028 1.00 51.41 C ATOM 91 O VAL A 8 -0.594 16.158 -0.188 1.00 2.43 O ATOM 92 CB VAL A 8 -1.064 14.200 -2.110 1.00 23.21 C ATOM 93 CG1 VAL A 8 -0.819 13.337 -3.338 1.00 70.42 C ATOM 94 CG2 VAL A 8 -2.391 13.849 -1.456 1.00 21.21 C ATOM 0 H VAL A 8 -0.737 12.237 -0.441 1.00 11.23 H new ATOM 0 HA VAL A 8 1.035 14.246 -1.608 1.00 70.32 H new ATOM 0 HB VAL A 8 -1.108 15.241 -2.431 1.00 23.21 H new ATOM 0 HG11 VAL A 8 -1.645 13.459 -4.039 1.00 70.42 H new ATOM 0 HG12 VAL A 8 0.112 13.642 -3.817 1.00 70.42 H new ATOM 0 HG13 VAL A 8 -0.748 12.291 -3.039 1.00 70.42 H new ATOM 0 HG21 VAL A 8 -3.196 13.963 -2.182 1.00 21.21 H new ATOM 0 HG22 VAL A 8 -2.362 12.817 -1.105 1.00 21.21 H new ATOM 0 HG23 VAL A 8 -2.568 14.515 -0.611 1.00 21.21 H new ATOM 104 N ARG A 9 0.303 14.662 1.234 1.00 23.24 N ATOM 105 CA ARG A 9 0.178 15.530 2.399 1.00 13.23 C ATOM 106 C ARG A 9 1.197 16.664 2.343 1.00 52.15 C ATOM 107 O ARG A 9 1.971 16.772 1.393 1.00 24.40 O ATOM 108 CB ARG A 9 0.367 14.724 3.685 1.00 64.10 C ATOM 109 CG ARG A 9 -0.871 13.948 4.105 1.00 33.12 C ATOM 110 CD ARG A 9 -1.908 14.859 4.744 1.00 30.54 C ATOM 111 NE ARG A 9 -3.237 14.252 4.755 1.00 63.31 N ATOM 112 CZ ARG A 9 -4.290 14.801 5.350 1.00 44.51 C ATOM 113 NH1 ARG A 9 -4.170 15.962 5.979 1.00 13.12 N1+ ATOM 114 NH2 ARG A 9 -5.467 14.187 5.315 1.00 52.12 N ATOM 0 H ARG A 9 0.716 13.750 1.430 1.00 23.24 H new ATOM 0 HA ARG A 9 -0.823 15.962 2.393 1.00 13.23 H new ATOM 0 HB2 ARG A 9 1.194 14.027 3.549 1.00 64.10 H new ATOM 0 HB3 ARG A 9 0.651 15.402 4.490 1.00 64.10 H new ATOM 0 HG2 ARG A 9 -1.305 13.454 3.235 1.00 33.12 H new ATOM 0 HG3 ARG A 9 -0.590 13.165 4.809 1.00 33.12 H new ATOM 0 HD2 ARG A 9 -1.607 15.091 5.766 1.00 30.54 H new ATOM 0 HD3 ARG A 9 -1.945 15.803 4.201 1.00 30.54 H new ATOM 0 HE ARG A 9 -3.363 13.358 4.280 1.00 63.31 H new ATOM 0 HH11 ARG A 9 -3.267 16.436 6.007 1.00 13.12 H new ATOM 0 HH12 ARG A 9 -4.980 16.381 6.435 1.00 13.12 H new ATOM 0 HH21 ARG A 9 -5.562 13.294 4.831 1.00 52.12 H new ATOM 0 HH22 ARG A 9 -6.276 14.608 5.772 1.00 52.12 H new ATOM 128 N TYR A 10 1.188 17.511 3.368 1.00 14.33 N ATOM 129 CA TYR A 10 2.109 18.640 3.435 1.00 71.55 C ATOM 130 C TYR A 10 2.529 18.914 4.876 1.00 52.43 C ATOM 131 O TYR A 10 1.835 18.540 5.819 1.00 74.35 O ATOM 132 CB TYR A 10 1.461 19.888 2.833 1.00 34.44 C ATOM 133 CG TYR A 10 0.385 20.491 3.705 1.00 40.24 C ATOM 134 CD1 TYR A 10 0.704 21.394 4.712 1.00 21.35 C ATOM 135 CD2 TYR A 10 -0.952 20.159 3.523 1.00 40.41 C ATOM 136 CE1 TYR A 10 -0.278 21.948 5.513 1.00 1.11 C ATOM 137 CE2 TYR A 10 -1.940 20.710 4.317 1.00 61.22 C ATOM 138 CZ TYR A 10 -1.597 21.602 5.310 1.00 2.14 C ATOM 139 OH TYR A 10 -2.577 22.152 6.105 1.00 11.10 O ATOM 0 H TYR A 10 0.553 17.437 4.163 1.00 14.33 H new ATOM 0 HA TYR A 10 2.999 18.387 2.859 1.00 71.55 H new ATOM 0 HB2 TYR A 10 2.232 20.637 2.652 1.00 34.44 H new ATOM 0 HB3 TYR A 10 1.031 19.633 1.864 1.00 34.44 H new ATOM 0 HD1 TYR A 10 1.736 21.668 4.872 1.00 21.35 H new ATOM 0 HD2 TYR A 10 -1.224 19.458 2.748 1.00 40.41 H new ATOM 0 HE1 TYR A 10 -0.013 22.647 6.292 1.00 1.11 H new ATOM 0 HE2 TYR A 10 -2.975 20.443 4.160 1.00 61.22 H new ATOM 0 HH TYR A 10 -3.452 21.806 5.832 1.00 11.10 H new ATOM 149 N ASN A 11 3.674 19.573 5.036 1.00 42.23 N ATOM 150 CA ASN A 11 4.188 19.898 6.360 1.00 42.31 C ATOM 151 C ASN A 11 4.322 21.409 6.534 1.00 20.03 C ATOM 152 O ASN A 11 4.679 22.124 5.598 1.00 44.41 O ATOM 153 CB ASN A 11 5.544 19.226 6.582 1.00 13.35 C ATOM 154 CG ASN A 11 6.289 19.804 7.771 1.00 32.15 C ATOM 155 OD1 ASN A 11 5.860 19.659 8.916 1.00 50.24 O ATOM 156 ND2 ASN A 11 7.408 20.465 7.503 1.00 62.24 N ATOM 0 H ASN A 11 4.261 19.891 4.265 1.00 42.23 H new ATOM 0 HA ASN A 11 3.480 19.525 7.100 1.00 42.31 H new ATOM 0 HB2 ASN A 11 5.396 18.157 6.734 1.00 13.35 H new ATOM 0 HB3 ASN A 11 6.153 19.339 5.685 1.00 13.35 H new ATOM 0 HD21 ASN A 11 7.951 20.878 8.262 1.00 62.24 H new ATOM 0 HD22 ASN A 11 7.726 20.560 6.538 1.00 62.24 H new ATOM 163 N TYR A 12 4.035 21.887 7.740 1.00 45.02 N ATOM 164 CA TYR A 12 4.120 23.312 8.037 1.00 72.31 C ATOM 165 C TYR A 12 5.572 23.743 8.222 1.00 31.24 C ATOM 166 O TYR A 12 6.241 23.328 9.168 1.00 51.10 O ATOM 167 CB TYR A 12 3.315 23.642 9.295 1.00 11.32 C ATOM 168 CG TYR A 12 1.818 23.601 9.084 1.00 4.11 C ATOM 169 CD1 TYR A 12 1.184 24.543 8.283 1.00 5.04 C ATOM 170 CD2 TYR A 12 1.038 22.622 9.686 1.00 12.20 C ATOM 171 CE1 TYR A 12 -0.183 24.511 8.087 1.00 33.01 C ATOM 172 CE2 TYR A 12 -0.329 22.580 9.494 1.00 33.51 C ATOM 173 CZ TYR A 12 -0.935 23.528 8.695 1.00 53.13 C ATOM 174 OH TYR A 12 -2.297 23.491 8.504 1.00 31.24 O ATOM 0 H TYR A 12 3.742 21.309 8.527 1.00 45.02 H new ATOM 0 HA TYR A 12 3.701 23.859 7.192 1.00 72.31 H new ATOM 0 HB2 TYR A 12 3.582 22.937 10.082 1.00 11.32 H new ATOM 0 HB3 TYR A 12 3.597 24.634 9.647 1.00 11.32 H new ATOM 0 HD1 TYR A 12 1.770 25.314 7.805 1.00 5.04 H new ATOM 0 HD2 TYR A 12 1.509 21.881 10.315 1.00 12.20 H new ATOM 0 HE1 TYR A 12 -0.660 25.251 7.462 1.00 33.01 H new ATOM 0 HE2 TYR A 12 -0.920 21.810 9.966 1.00 33.51 H new ATOM 0 HH TYR A 12 -2.494 23.086 7.634 1.00 31.24 H new ATOM 184 N THR A 13 6.054 24.581 7.309 1.00 52.44 N ATOM 185 CA THR A 13 7.426 25.069 7.369 1.00 21.44 C ATOM 186 C THR A 13 7.465 26.590 7.462 1.00 1.51 C ATOM 187 O THR A 13 6.450 27.259 7.271 1.00 61.40 O ATOM 188 CB THR A 13 8.237 24.620 6.138 1.00 0.51 C ATOM 189 OG1 THR A 13 7.696 25.215 4.953 1.00 12.51 O ATOM 190 CG2 THR A 13 8.222 23.105 6.004 1.00 33.31 C ATOM 0 H THR A 13 5.514 24.936 6.519 1.00 52.44 H new ATOM 0 HA THR A 13 7.874 24.641 8.266 1.00 21.44 H new ATOM 0 HB THR A 13 9.269 24.946 6.270 1.00 0.51 H new ATOM 0 HG1 THR A 13 8.217 24.927 4.175 1.00 12.51 H new ATOM 0 HG21 THR A 13 8.801 22.811 5.128 1.00 33.31 H new ATOM 0 HG22 THR A 13 8.660 22.657 6.896 1.00 33.31 H new ATOM 0 HG23 THR A 13 7.194 22.760 5.892 1.00 33.31 H new ATOM 198 N GLU A 14 8.644 27.131 7.756 1.00 33.12 N ATOM 199 CA GLU A 14 8.813 28.574 7.874 1.00 45.32 C ATOM 200 C GLU A 14 9.313 29.171 6.563 1.00 72.14 C ATOM 201 O GLU A 14 10.051 28.528 5.814 1.00 2.41 O ATOM 202 CB GLU A 14 9.790 28.905 9.004 1.00 43.44 C ATOM 203 CG GLU A 14 9.201 29.810 10.074 1.00 35.42 C ATOM 204 CD GLU A 14 10.237 30.283 11.073 1.00 64.44 C ATOM 205 OE1 GLU A 14 11.160 29.502 11.385 1.00 12.22 O ATOM 206 OE2 GLU A 14 10.126 31.435 11.544 1.00 31.43 O1- ATOM 0 H GLU A 14 9.495 26.592 7.917 1.00 33.12 H new ATOM 0 HA GLU A 14 7.841 29.011 8.105 1.00 45.32 H new ATOM 0 HB2 GLU A 14 10.123 27.977 9.468 1.00 43.44 H new ATOM 0 HB3 GLU A 14 10.673 29.384 8.581 1.00 43.44 H new ATOM 0 HG2 GLU A 14 8.739 30.675 9.599 1.00 35.42 H new ATOM 0 HG3 GLU A 14 8.411 29.276 10.601 1.00 35.42 H new ATOM 213 N LEU A 15 8.909 30.408 6.290 1.00 31.01 N ATOM 214 CA LEU A 15 9.316 31.093 5.068 1.00 75.52 C ATOM 215 C LEU A 15 10.214 32.285 5.386 1.00 52.53 C ATOM 216 O LEU A 15 10.213 32.815 6.498 1.00 52.44 O ATOM 217 CB LEU A 15 8.085 31.561 4.289 1.00 45.14 C ATOM 218 CG LEU A 15 7.413 30.513 3.402 1.00 61.13 C ATOM 219 CD1 LEU A 15 5.958 30.876 3.157 1.00 24.13 C ATOM 220 CD2 LEU A 15 8.160 30.371 2.084 1.00 34.00 C ATOM 0 H LEU A 15 8.301 30.956 6.898 1.00 31.01 H new ATOM 0 HA LEU A 15 9.880 30.389 4.456 1.00 75.52 H new ATOM 0 HB2 LEU A 15 7.348 31.931 5.002 1.00 45.14 H new ATOM 0 HB3 LEU A 15 8.375 32.405 3.663 1.00 45.14 H new ATOM 0 HG LEU A 15 7.444 29.553 3.918 1.00 61.13 H new ATOM 0 HD11 LEU A 15 5.496 30.119 2.524 1.00 24.13 H new ATOM 0 HD12 LEU A 15 5.430 30.924 4.109 1.00 24.13 H new ATOM 0 HD13 LEU A 15 5.903 31.846 2.662 1.00 24.13 H new ATOM 0 HD21 LEU A 15 7.667 29.621 1.466 1.00 34.00 H new ATOM 0 HD22 LEU A 15 8.161 31.328 1.562 1.00 34.00 H new ATOM 0 HD23 LEU A 15 9.187 30.063 2.279 1.00 34.00 H new ATOM 232 N PRO A 16 10.998 32.719 4.389 1.00 52.33 N ATOM 233 CA PRO A 16 11.913 33.854 4.537 1.00 73.22 C ATOM 234 C PRO A 16 11.174 35.182 4.664 1.00 42.24 C ATOM 235 O PRO A 16 11.782 36.217 4.933 1.00 30.55 O ATOM 236 CB PRO A 16 12.733 33.820 3.244 1.00 54.14 C ATOM 237 CG PRO A 16 11.853 33.136 2.255 1.00 53.42 C ATOM 238 CD PRO A 16 11.051 32.134 3.038 1.00 70.53 C ATOM 0 HA PRO A 16 12.515 33.776 5.442 1.00 73.22 H new ATOM 0 HB2 PRO A 16 12.993 34.826 2.914 1.00 54.14 H new ATOM 0 HB3 PRO A 16 13.669 33.278 3.383 1.00 54.14 H new ATOM 0 HG2 PRO A 16 11.201 33.851 1.753 1.00 53.42 H new ATOM 0 HG3 PRO A 16 12.443 32.645 1.482 1.00 53.42 H new ATOM 0 HD2 PRO A 16 10.054 32.001 2.618 1.00 70.53 H new ATOM 0 HD3 PRO A 16 11.528 31.154 3.043 1.00 70.53 H new ATOM 246 N ASN A 17 9.860 35.142 4.471 1.00 3.13 N ATOM 247 CA ASN A 17 9.039 36.345 4.564 1.00 21.43 C ATOM 248 C ASN A 17 8.419 36.473 5.953 1.00 30.55 C ATOM 249 O ASN A 17 7.753 37.461 6.257 1.00 12.42 O ATOM 250 CB ASN A 17 7.938 36.317 3.503 1.00 30.03 C ATOM 251 CG ASN A 17 7.460 34.911 3.200 1.00 50.24 C ATOM 252 OD1 ASN A 17 8.022 34.222 2.348 1.00 12.44 O ATOM 253 ND2 ASN A 17 6.417 34.477 3.898 1.00 24.23 N ATOM 0 H ASN A 17 9.341 34.292 4.250 1.00 3.13 H new ATOM 0 HA ASN A 17 9.681 37.209 4.390 1.00 21.43 H new ATOM 0 HB2 ASN A 17 7.095 36.919 3.843 1.00 30.03 H new ATOM 0 HB3 ASN A 17 8.309 36.777 2.587 1.00 30.03 H new ATOM 0 HD21 ASN A 17 6.051 33.539 3.738 1.00 24.23 H new ATOM 0 HD22 ASN A 17 5.982 35.082 4.594 1.00 24.23 H new ATOM 260 N GLY A 18 8.646 35.466 6.792 1.00 75.24 N ATOM 261 CA GLY A 18 8.103 35.487 8.138 1.00 63.13 C ATOM 262 C GLY A 18 6.922 34.552 8.301 1.00 23.55 C ATOM 263 O GLY A 18 6.643 34.081 9.402 1.00 61.41 O ATOM 0 H GLY A 18 9.195 34.637 6.564 1.00 75.24 H new ATOM 0 HA2 GLY A 18 8.884 35.208 8.846 1.00 63.13 H new ATOM 0 HA3 GLY A 18 7.795 36.503 8.387 1.00 63.13 H new ATOM 267 N GLU A 19 6.223 34.287 7.200 1.00 64.42 N ATOM 268 CA GLU A 19 5.063 33.404 7.228 1.00 70.10 C ATOM 269 C GLU A 19 5.491 31.940 7.241 1.00 45.33 C ATOM 270 O GLU A 19 6.681 31.632 7.312 1.00 50.13 O ATOM 271 CB GLU A 19 4.162 33.673 6.020 1.00 2.11 C ATOM 272 CG GLU A 19 3.797 35.138 5.848 1.00 53.05 C ATOM 273 CD GLU A 19 2.903 35.653 6.960 1.00 73.31 C ATOM 274 OE1 GLU A 19 2.116 34.851 7.506 1.00 52.10 O1- ATOM 275 OE2 GLU A 19 2.990 36.856 7.284 1.00 64.10 O ATOM 0 H GLU A 19 6.440 34.671 6.280 1.00 64.42 H new ATOM 0 HA GLU A 19 4.506 33.608 8.142 1.00 70.10 H new ATOM 0 HB2 GLU A 19 4.664 33.324 5.118 1.00 2.11 H new ATOM 0 HB3 GLU A 19 3.247 33.089 6.122 1.00 2.11 H new ATOM 0 HG2 GLU A 19 4.709 35.734 5.815 1.00 53.05 H new ATOM 0 HG3 GLU A 19 3.294 35.273 4.891 1.00 53.05 H new ATOM 282 N TYR A 20 4.515 31.044 7.171 1.00 61.53 N ATOM 283 CA TYR A 20 4.789 29.612 7.177 1.00 34.14 C ATOM 284 C TYR A 20 4.765 29.046 5.761 1.00 55.31 C ATOM 285 O TYR A 20 5.801 28.663 5.214 1.00 31.44 O ATOM 286 CB TYR A 20 3.767 28.878 8.048 1.00 60.13 C ATOM 287 CG TYR A 20 4.253 28.606 9.453 1.00 60.13 C ATOM 288 CD1 TYR A 20 4.073 29.540 10.465 1.00 0.13 C ATOM 289 CD2 TYR A 20 4.891 27.413 9.768 1.00 15.40 C ATOM 290 CE1 TYR A 20 4.516 29.294 11.751 1.00 4.43 C ATOM 291 CE2 TYR A 20 5.338 27.159 11.050 1.00 61.50 C ATOM 292 CZ TYR A 20 5.147 28.102 12.038 1.00 52.13 C ATOM 293 OH TYR A 20 5.589 27.853 13.317 1.00 70.22 O ATOM 0 H TYR A 20 3.525 31.283 7.109 1.00 61.53 H new ATOM 0 HA TYR A 20 5.785 29.462 7.593 1.00 34.14 H new ATOM 0 HB2 TYR A 20 2.853 29.469 8.097 1.00 60.13 H new ATOM 0 HB3 TYR A 20 3.510 27.932 7.572 1.00 60.13 H new ATOM 0 HD1 TYR A 20 3.579 30.474 10.243 1.00 0.13 H new ATOM 0 HD2 TYR A 20 5.040 26.671 8.997 1.00 15.40 H new ATOM 0 HE1 TYR A 20 4.369 30.031 12.527 1.00 4.43 H new ATOM 0 HE2 TYR A 20 5.834 26.227 11.277 1.00 61.50 H new ATOM 0 HH TYR A 20 6.010 26.969 13.351 1.00 70.22 H new ATOM 303 N CYS A 21 3.577 28.999 5.169 1.00 45.41 N ATOM 304 CA CYS A 21 3.414 28.480 3.816 1.00 22.34 C ATOM 305 C CYS A 21 1.971 28.630 3.344 1.00 21.40 C ATOM 306 O CYS A 21 1.046 28.689 4.155 1.00 34.13 O ATOM 307 CB CYS A 21 3.833 27.010 3.757 1.00 14.31 C ATOM 308 SG CYS A 21 2.665 25.872 4.570 1.00 72.04 S ATOM 0 H CYS A 21 2.711 29.315 5.606 1.00 45.41 H new ATOM 0 HA CYS A 21 4.055 29.060 3.152 1.00 22.34 H new ATOM 0 HB2 CYS A 21 3.943 26.716 2.713 1.00 14.31 H new ATOM 0 HB3 CYS A 21 4.812 26.903 4.223 1.00 14.31 H new ATOM 313 N TYR A 22 1.787 28.689 2.030 1.00 73.41 N ATOM 314 CA TYR A 22 0.456 28.834 1.451 1.00 25.14 C ATOM 315 C TYR A 22 -0.189 27.470 1.222 1.00 21.32 C ATOM 316 O TYR A 22 0.359 26.621 0.518 1.00 14.24 O ATOM 317 CB TYR A 22 0.533 29.603 0.131 1.00 71.24 C ATOM 318 CG TYR A 22 0.604 31.103 0.308 1.00 53.20 C ATOM 319 CD1 TYR A 22 -0.271 31.763 1.161 1.00 71.22 C ATOM 320 CD2 TYR A 22 1.545 31.859 -0.379 1.00 33.03 C ATOM 321 CE1 TYR A 22 -0.211 33.133 1.324 1.00 43.51 C ATOM 322 CE2 TYR A 22 1.614 33.230 -0.220 1.00 75.54 C ATOM 323 CZ TYR A 22 0.734 33.863 0.632 1.00 12.31 C ATOM 324 OH TYR A 22 0.797 35.228 0.793 1.00 10.53 O ATOM 0 H TYR A 22 2.542 28.639 1.346 1.00 73.41 H new ATOM 0 HA TYR A 22 -0.161 29.394 2.154 1.00 25.14 H new ATOM 0 HB2 TYR A 22 1.410 29.269 -0.424 1.00 71.24 H new ATOM 0 HB3 TYR A 22 -0.340 29.358 -0.474 1.00 71.24 H new ATOM 0 HD1 TYR A 22 -1.011 31.195 1.706 1.00 71.22 H new ATOM 0 HD2 TYR A 22 2.235 31.367 -1.049 1.00 33.03 H new ATOM 0 HE1 TYR A 22 -0.900 33.631 1.990 1.00 43.51 H new ATOM 0 HE2 TYR A 22 2.353 33.803 -0.760 1.00 75.54 H new ATOM 0 HH TYR A 22 1.518 35.590 0.236 1.00 10.53 H new ATOM 334 N THR A 23 -1.357 27.268 1.821 1.00 31.22 N ATOM 335 CA THR A 23 -2.079 26.008 1.684 1.00 12.23 C ATOM 336 C THR A 23 -2.184 25.591 0.221 1.00 3.11 C ATOM 337 O THR A 23 -2.011 26.397 -0.693 1.00 50.51 O ATOM 338 CB THR A 23 -3.495 26.106 2.281 1.00 70.34 C ATOM 339 OG1 THR A 23 -3.929 27.470 2.299 1.00 51.01 O ATOM 340 CG2 THR A 23 -3.527 25.540 3.693 1.00 42.22 C ATOM 0 H THR A 23 -1.824 27.960 2.406 1.00 31.22 H new ATOM 0 HA THR A 23 -1.512 25.256 2.233 1.00 12.23 H new ATOM 0 HB THR A 23 -4.169 25.521 1.655 1.00 70.34 H new ATOM 0 HG1 THR A 23 -4.831 27.521 2.679 1.00 51.01 H new ATOM 0 HG21 THR A 23 -4.537 25.620 4.094 1.00 42.22 H new ATOM 0 HG22 THR A 23 -3.227 24.492 3.672 1.00 42.22 H new ATOM 0 HG23 THR A 23 -2.840 26.102 4.326 1.00 42.22 H new ATOM 348 N PRO A 24 -2.473 24.303 -0.007 1.00 10.51 N ATOM 349 CA PRO A 24 -2.608 23.749 -1.358 1.00 1.33 C ATOM 350 C PRO A 24 -3.857 24.258 -2.071 1.00 0.42 C ATOM 351 O PRO A 24 -4.817 24.687 -1.431 1.00 21.20 O ATOM 352 CB PRO A 24 -2.708 22.241 -1.115 1.00 42.41 C ATOM 353 CG PRO A 24 -3.243 22.115 0.270 1.00 13.41 C ATOM 354 CD PRO A 24 -2.692 23.285 1.035 1.00 22.44 C ATOM 0 HA PRO A 24 -1.776 24.036 -2.001 1.00 1.33 H new ATOM 0 HB2 PRO A 24 -3.370 21.766 -1.840 1.00 42.41 H new ATOM 0 HB3 PRO A 24 -1.735 21.759 -1.209 1.00 42.41 H new ATOM 0 HG2 PRO A 24 -4.333 22.127 0.270 1.00 13.41 H new ATOM 0 HG3 PRO A 24 -2.935 21.173 0.723 1.00 13.41 H new ATOM 0 HD2 PRO A 24 -3.391 23.633 1.796 1.00 22.44 H new ATOM 0 HD3 PRO A 24 -1.765 23.029 1.548 1.00 22.44 H new ATOM 362 N ARG A 25 -3.838 24.206 -3.399 1.00 41.50 N ATOM 363 CA ARG A 25 -4.969 24.662 -4.197 1.00 11.30 C ATOM 364 C ARG A 25 -5.182 26.164 -4.029 1.00 42.24 C ATOM 365 O ARG A 25 -6.260 26.684 -4.317 1.00 30.50 O ATOM 366 CB ARG A 25 -6.239 23.909 -3.798 1.00 71.35 C ATOM 367 CG ARG A 25 -6.036 22.411 -3.645 1.00 24.20 C ATOM 368 CD ARG A 25 -7.325 21.712 -3.242 1.00 13.12 C ATOM 369 NE ARG A 25 -7.594 21.842 -1.812 1.00 61.42 N ATOM 370 CZ ARG A 25 -8.470 21.087 -1.159 1.00 63.21 C ATOM 371 NH1 ARG A 25 -9.160 20.155 -1.803 1.00 60.40 N1+ ATOM 372 NH2 ARG A 25 -8.659 21.264 0.143 1.00 31.52 N ATOM 0 H ARG A 25 -3.052 23.853 -3.944 1.00 41.50 H new ATOM 0 HA ARG A 25 -4.748 24.458 -5.245 1.00 11.30 H new ATOM 0 HB2 ARG A 25 -6.611 24.315 -2.857 1.00 71.35 H new ATOM 0 HB3 ARG A 25 -7.008 24.088 -4.549 1.00 71.35 H new ATOM 0 HG2 ARG A 25 -5.673 21.994 -4.585 1.00 24.20 H new ATOM 0 HG3 ARG A 25 -5.268 22.222 -2.895 1.00 24.20 H new ATOM 0 HD2 ARG A 25 -8.157 22.132 -3.807 1.00 13.12 H new ATOM 0 HD3 ARG A 25 -7.262 20.656 -3.505 1.00 13.12 H new ATOM 0 HE ARG A 25 -7.082 22.551 -1.287 1.00 61.42 H new ATOM 0 HH11 ARG A 25 -9.019 20.016 -2.804 1.00 60.40 H new ATOM 0 HH12 ARG A 25 -9.832 19.577 -1.298 1.00 60.40 H new ATOM 0 HH21 ARG A 25 -8.131 21.980 0.642 1.00 31.52 H new ATOM 0 HH22 ARG A 25 -9.332 20.684 0.644 1.00 31.52 H new ATOM 386 N ARG A 26 -4.146 26.855 -3.563 1.00 23.54 N ATOM 387 CA ARG A 26 -4.221 28.296 -3.357 1.00 14.21 C ATOM 388 C ARG A 26 -3.320 29.035 -4.343 1.00 22.51 C ATOM 389 O ARG A 26 -2.247 28.550 -4.701 1.00 34.12 O ATOM 390 CB ARG A 26 -3.821 28.649 -1.922 1.00 32.13 C ATOM 391 CG ARG A 26 -4.786 29.602 -1.238 1.00 14.42 C ATOM 392 CD ARG A 26 -4.179 30.987 -1.074 1.00 12.23 C ATOM 393 NE ARG A 26 -5.201 32.025 -0.979 1.00 53.14 N ATOM 394 CZ ARG A 26 -4.933 33.325 -1.014 1.00 71.13 C ATOM 395 NH1 ARG A 26 -3.682 33.744 -1.142 1.00 44.20 N1+ ATOM 396 NH2 ARG A 26 -5.919 34.210 -0.922 1.00 33.14 N ATOM 0 H ARG A 26 -3.246 26.440 -3.321 1.00 23.54 H new ATOM 0 HA ARG A 26 -5.251 28.608 -3.528 1.00 14.21 H new ATOM 0 HB2 ARG A 26 -3.753 27.732 -1.337 1.00 32.13 H new ATOM 0 HB3 ARG A 26 -2.827 29.096 -1.930 1.00 32.13 H new ATOM 0 HG2 ARG A 26 -5.704 29.673 -1.821 1.00 14.42 H new ATOM 0 HG3 ARG A 26 -5.059 29.205 -0.260 1.00 14.42 H new ATOM 0 HD2 ARG A 26 -3.558 31.007 -0.178 1.00 12.23 H new ATOM 0 HD3 ARG A 26 -3.525 31.199 -1.920 1.00 12.23 H new ATOM 0 HE ARG A 26 -6.174 31.736 -0.880 1.00 53.14 H new ATOM 0 HH11 ARG A 26 -2.922 33.067 -1.214 1.00 44.20 H new ATOM 0 HH12 ARG A 26 -3.479 34.743 -1.169 1.00 44.20 H new ATOM 0 HH21 ARG A 26 -6.883 33.891 -0.824 1.00 33.14 H new ATOM 0 HH22 ARG A 26 -5.712 35.208 -0.949 1.00 33.14 H new ATOM 410 N ARG A 27 -3.767 30.207 -4.780 1.00 50.31 N ATOM 411 CA ARG A 27 -3.003 31.012 -5.726 1.00 40.43 C ATOM 412 C ARG A 27 -1.707 31.512 -5.093 1.00 64.30 C ATOM 413 O ARG A 27 -1.728 32.217 -4.084 1.00 33.14 O ATOM 414 CB ARG A 27 -3.838 32.199 -6.210 1.00 5.30 C ATOM 415 CG ARG A 27 -3.099 33.109 -7.178 1.00 61.13 C ATOM 416 CD ARG A 27 -3.953 34.297 -7.587 1.00 24.42 C ATOM 417 NE ARG A 27 -3.186 35.293 -8.332 1.00 40.41 N ATOM 418 CZ ARG A 27 -3.741 36.217 -9.108 1.00 44.13 C ATOM 419 NH1 ARG A 27 -5.058 36.274 -9.240 1.00 21.21 N1+ ATOM 420 NH2 ARG A 27 -2.975 37.088 -9.754 1.00 21.32 N ATOM 0 H ARG A 27 -4.654 30.621 -4.494 1.00 50.31 H new ATOM 0 HA ARG A 27 -2.751 30.382 -6.579 1.00 40.43 H new ATOM 0 HB2 ARG A 27 -4.740 31.825 -6.693 1.00 5.30 H new ATOM 0 HB3 ARG A 27 -4.158 32.783 -5.347 1.00 5.30 H new ATOM 0 HG2 ARG A 27 -2.178 33.464 -6.715 1.00 61.13 H new ATOM 0 HG3 ARG A 27 -2.812 32.543 -8.064 1.00 61.13 H new ATOM 0 HD2 ARG A 27 -4.787 33.951 -8.198 1.00 24.42 H new ATOM 0 HD3 ARG A 27 -4.380 34.760 -6.697 1.00 24.42 H new ATOM 0 HE ARG A 27 -2.169 35.278 -8.252 1.00 40.41 H new ATOM 0 HH11 ARG A 27 -5.650 35.607 -8.745 1.00 21.21 H new ATOM 0 HH12 ARG A 27 -5.480 36.985 -9.837 1.00 21.21 H new ATOM 0 HH21 ARG A 27 -1.961 37.047 -9.654 1.00 21.32 H new ATOM 0 HH22 ARG A 27 -3.401 37.798 -10.350 1.00 21.32 H new ATOM 434 N CYS A 28 -0.581 31.140 -5.693 1.00 43.33 N ATOM 435 CA CYS A 28 0.725 31.550 -5.189 1.00 31.31 C ATOM 436 C CYS A 28 1.581 32.134 -6.307 1.00 63.13 C ATOM 437 O CYS A 28 1.292 31.947 -7.490 1.00 50.44 O ATOM 438 CB CYS A 28 1.443 30.359 -4.548 1.00 52.41 C ATOM 439 SG CYS A 28 1.392 28.836 -5.548 1.00 5.44 S ATOM 0 H CYS A 28 -0.546 30.556 -6.528 1.00 43.33 H new ATOM 0 HA CYS A 28 0.571 32.322 -4.435 1.00 31.31 H new ATOM 0 HB2 CYS A 28 2.484 30.629 -4.369 1.00 52.41 H new ATOM 0 HB3 CYS A 28 0.994 30.158 -3.575 1.00 52.41 H new ATOM 444 N THR A 29 2.638 32.844 -5.926 1.00 73.01 N ATOM 445 CA THR A 29 3.537 33.457 -6.896 1.00 32.12 C ATOM 446 C THR A 29 4.865 32.709 -6.966 1.00 33.55 C ATOM 447 O THR A 29 5.455 32.570 -8.037 1.00 51.13 O ATOM 448 CB THR A 29 3.812 34.933 -6.554 1.00 20.25 C ATOM 449 OG1 THR A 29 4.495 35.027 -5.299 1.00 30.25 O ATOM 450 CG2 THR A 29 2.514 35.725 -6.491 1.00 44.55 C ATOM 0 H THR A 29 2.893 33.009 -4.952 1.00 73.01 H new ATOM 0 HA THR A 29 3.040 33.402 -7.864 1.00 32.12 H new ATOM 0 HB THR A 29 4.439 35.354 -7.340 1.00 20.25 H new ATOM 0 HG1 THR A 29 4.667 35.969 -5.090 1.00 30.25 H new ATOM 0 HG21 THR A 29 2.734 36.765 -6.248 1.00 44.55 H new ATOM 0 HG22 THR A 29 2.011 35.677 -7.457 1.00 44.55 H new ATOM 0 HG23 THR A 29 1.866 35.302 -5.723 1.00 44.55 H new ATOM 458 N SER A 30 5.327 32.227 -5.817 1.00 63.54 N ATOM 459 CA SER A 30 6.587 31.494 -5.748 1.00 12.44 C ATOM 460 C SER A 30 6.365 30.082 -5.213 1.00 32.23 C ATOM 461 O SER A 30 5.536 29.866 -4.329 1.00 42.24 O ATOM 462 CB SER A 30 7.585 32.239 -4.860 1.00 1.42 C ATOM 463 OG SER A 30 7.500 33.640 -5.059 1.00 24.25 O ATOM 0 H SER A 30 4.849 32.330 -4.922 1.00 63.54 H new ATOM 0 HA SER A 30 6.994 31.421 -6.757 1.00 12.44 H new ATOM 0 HB2 SER A 30 7.390 32.005 -3.813 1.00 1.42 H new ATOM 0 HB3 SER A 30 8.597 31.898 -5.080 1.00 1.42 H new ATOM 0 HG SER A 30 6.876 34.025 -4.409 1.00 24.25 H new ATOM 469 N ALA A 31 7.114 29.127 -5.754 1.00 62.45 N ATOM 470 CA ALA A 31 7.003 27.738 -5.330 1.00 32.30 C ATOM 471 C ALA A 31 7.441 27.570 -3.879 1.00 10.12 C ATOM 472 O ALA A 31 6.864 26.777 -3.134 1.00 65.45 O ATOM 473 CB ALA A 31 7.828 26.841 -6.240 1.00 44.20 C ATOM 0 H ALA A 31 7.804 29.290 -6.487 1.00 62.45 H new ATOM 0 HA ALA A 31 5.956 27.445 -5.402 1.00 32.30 H new ATOM 0 HB1 ALA A 31 7.736 25.806 -5.911 1.00 44.20 H new ATOM 0 HB2 ALA A 31 7.466 26.930 -7.264 1.00 44.20 H new ATOM 0 HB3 ALA A 31 8.874 27.143 -6.197 1.00 44.20 H new ATOM 479 N ASP A 32 8.464 28.317 -3.484 1.00 12.20 N ATOM 480 CA ASP A 32 8.981 28.252 -2.123 1.00 73.45 C ATOM 481 C ASP A 32 7.864 28.476 -1.107 1.00 71.20 C ATOM 482 O ASP A 32 7.846 27.855 -0.045 1.00 64.22 O ATOM 483 CB ASP A 32 10.086 29.289 -1.922 1.00 74.03 C ATOM 484 CG ASP A 32 10.906 29.028 -0.673 1.00 11.45 C ATOM 485 OD1 ASP A 32 11.873 28.243 -0.753 1.00 52.31 O ATOM 486 OD2 ASP A 32 10.578 29.608 0.383 1.00 51.42 O1- ATOM 0 H ASP A 32 8.953 28.977 -4.089 1.00 12.20 H new ATOM 0 HA ASP A 32 9.397 27.257 -1.966 1.00 73.45 H new ATOM 0 HB2 ASP A 32 10.743 29.288 -2.791 1.00 74.03 H new ATOM 0 HB3 ASP A 32 9.641 30.282 -1.860 1.00 74.03 H new ATOM 491 N GLN A 33 6.938 29.368 -1.442 1.00 13.05 N ATOM 492 CA GLN A 33 5.819 29.674 -0.559 1.00 61.53 C ATOM 493 C GLN A 33 4.895 28.470 -0.410 1.00 21.20 C ATOM 494 O GLN A 33 4.434 28.159 0.688 1.00 62.33 O ATOM 495 CB GLN A 33 5.032 30.873 -1.093 1.00 1.33 C ATOM 496 CG GLN A 33 5.789 32.187 -1.000 1.00 24.41 C ATOM 497 CD GLN A 33 5.449 33.138 -2.131 1.00 55.02 C ATOM 498 OE1 GLN A 33 6.334 33.754 -2.727 1.00 20.05 O ATOM 499 NE2 GLN A 33 4.161 33.262 -2.434 1.00 41.24 N ATOM 0 H GLN A 33 6.940 29.891 -2.318 1.00 13.05 H new ATOM 0 HA GLN A 33 6.223 29.921 0.423 1.00 61.53 H new ATOM 0 HB2 GLN A 33 4.767 30.689 -2.134 1.00 1.33 H new ATOM 0 HB3 GLN A 33 4.098 30.961 -0.537 1.00 1.33 H new ATOM 0 HG2 GLN A 33 5.562 32.666 -0.047 1.00 24.41 H new ATOM 0 HG3 GLN A 33 6.860 31.986 -1.009 1.00 24.41 H new ATOM 0 HE21 GLN A 33 3.461 32.732 -1.914 1.00 41.24 H new ATOM 0 HE22 GLN A 33 3.872 33.887 -3.187 1.00 41.24 H new ATOM 508 N CYS A 34 4.628 27.795 -1.524 1.00 20.44 N ATOM 509 CA CYS A 34 3.758 26.625 -1.519 1.00 42.12 C ATOM 510 C CYS A 34 4.208 25.618 -0.466 1.00 14.23 C ATOM 511 O CYS A 34 5.364 25.196 -0.445 1.00 24.15 O ATOM 512 CB CYS A 34 3.749 25.966 -2.900 1.00 20.31 C ATOM 513 SG CYS A 34 2.887 24.361 -2.953 1.00 43.23 S ATOM 0 H CYS A 34 5.002 28.039 -2.441 1.00 20.44 H new ATOM 0 HA CYS A 34 2.748 26.954 -1.273 1.00 42.12 H new ATOM 0 HB2 CYS A 34 3.276 26.644 -3.611 1.00 20.31 H new ATOM 0 HB3 CYS A 34 4.778 25.825 -3.230 1.00 20.31 H new ATOM 518 N CYS A 35 3.284 25.235 0.411 1.00 63.44 N ATOM 519 CA CYS A 35 3.583 24.278 1.468 1.00 62.12 C ATOM 520 C CYS A 35 4.254 23.030 0.900 1.00 75.41 C ATOM 521 O CYS A 35 3.793 22.463 -0.091 1.00 52.33 O ATOM 522 CB CYS A 35 2.302 23.889 2.210 1.00 15.41 C ATOM 523 SG CYS A 35 1.488 25.276 3.066 1.00 54.35 S ATOM 0 H CYS A 35 2.322 25.574 0.409 1.00 63.44 H new ATOM 0 HA CYS A 35 4.271 24.752 2.168 1.00 62.12 H new ATOM 0 HB2 CYS A 35 1.601 23.453 1.498 1.00 15.41 H new ATOM 0 HB3 CYS A 35 2.538 23.114 2.939 1.00 15.41 H new ATOM 528 N ARG A 36 5.342 22.608 1.535 1.00 74.42 N ATOM 529 CA ARG A 36 6.075 21.429 1.093 1.00 31.31 C ATOM 530 C ARG A 36 5.376 20.151 1.547 1.00 11.50 C ATOM 531 O ARG A 36 4.565 20.154 2.472 1.00 64.44 O ATOM 532 CB ARG A 36 7.507 21.461 1.633 1.00 74.21 C ATOM 533 CG ARG A 36 8.503 22.100 0.680 1.00 33.43 C ATOM 534 CD ARG A 36 9.929 21.961 1.190 1.00 52.41 C ATOM 535 NE ARG A 36 10.774 23.074 0.764 1.00 64.13 N ATOM 536 CZ ARG A 36 12.101 23.048 0.808 1.00 24.21 C ATOM 537 NH1 ARG A 36 12.731 21.971 1.254 1.00 61.22 N1+ ATOM 538 NH2 ARG A 36 12.800 24.101 0.402 1.00 13.25 N ATOM 0 H ARG A 36 5.735 23.065 2.358 1.00 74.42 H new ATOM 0 HA ARG A 36 6.104 21.438 0.003 1.00 31.31 H new ATOM 0 HB2 ARG A 36 7.518 22.007 2.577 1.00 74.21 H new ATOM 0 HB3 ARG A 36 7.827 20.442 1.850 1.00 74.21 H new ATOM 0 HG2 ARG A 36 8.419 21.634 -0.302 1.00 33.43 H new ATOM 0 HG3 ARG A 36 8.262 23.155 0.554 1.00 33.43 H new ATOM 0 HD2 ARG A 36 9.921 21.908 2.279 1.00 52.41 H new ATOM 0 HD3 ARG A 36 10.354 21.024 0.828 1.00 52.41 H new ATOM 0 HE ARG A 36 10.320 23.917 0.414 1.00 64.13 H new ATOM 0 HH11 ARG A 36 12.197 21.160 1.564 1.00 61.22 H new ATOM 0 HH12 ARG A 36 13.750 21.953 1.287 1.00 61.22 H new ATOM 0 HH21 ARG A 36 12.318 24.931 0.056 1.00 13.25 H new ATOM 0 HH22 ARG A 36 13.819 24.080 0.436 1.00 13.25 H new ATOM 552 N PRO A 37 5.699 19.032 0.882 1.00 2.54 N ATOM 553 CA PRO A 37 5.112 17.726 1.200 1.00 73.11 C ATOM 554 C PRO A 37 5.596 17.185 2.541 1.00 25.00 C ATOM 555 O PRO A 37 6.735 17.424 2.944 1.00 22.30 O ATOM 556 CB PRO A 37 5.597 16.832 0.056 1.00 11.35 C ATOM 557 CG PRO A 37 6.852 17.476 -0.422 1.00 4.20 C ATOM 558 CD PRO A 37 6.657 18.955 -0.232 1.00 42.10 C ATOM 0 HA PRO A 37 4.027 17.777 1.289 1.00 73.11 H new ATOM 0 HB2 PRO A 37 5.780 15.814 0.400 1.00 11.35 H new ATOM 0 HB3 PRO A 37 4.855 16.771 -0.740 1.00 11.35 H new ATOM 0 HG2 PRO A 37 7.713 17.120 0.144 1.00 4.20 H new ATOM 0 HG3 PRO A 37 7.038 17.238 -1.469 1.00 4.20 H new ATOM 0 HD2 PRO A 37 7.594 19.456 0.009 1.00 42.10 H new ATOM 0 HD3 PRO A 37 6.265 19.428 -1.133 1.00 42.10 H new ATOM 566 N TYR A 38 4.726 16.455 3.228 1.00 62.25 N ATOM 567 CA TYR A 38 5.064 15.881 4.525 1.00 14.44 C ATOM 568 C TYR A 38 6.321 15.021 4.429 1.00 34.42 C ATOM 569 O TYR A 38 7.102 14.938 5.376 1.00 11.41 O ATOM 570 CB TYR A 38 3.898 15.043 5.056 1.00 22.13 C ATOM 571 CG TYR A 38 3.940 14.828 6.552 1.00 14.52 C ATOM 572 CD1 TYR A 38 4.914 14.026 7.132 1.00 30.11 C ATOM 573 CD2 TYR A 38 3.004 15.428 7.385 1.00 41.20 C ATOM 574 CE1 TYR A 38 4.955 13.825 8.498 1.00 14.55 C ATOM 575 CE2 TYR A 38 3.037 15.234 8.752 1.00 22.03 C ATOM 576 CZ TYR A 38 4.015 14.433 9.304 1.00 53.42 C ATOM 577 OH TYR A 38 4.051 14.237 10.666 1.00 22.44 O ATOM 0 H TYR A 38 3.780 16.246 2.908 1.00 62.25 H new ATOM 0 HA TYR A 38 5.258 16.701 5.217 1.00 14.44 H new ATOM 0 HB2 TYR A 38 2.960 15.533 4.794 1.00 22.13 H new ATOM 0 HB3 TYR A 38 3.901 14.074 4.558 1.00 22.13 H new ATOM 0 HD1 TYR A 38 5.653 13.551 6.504 1.00 30.11 H new ATOM 0 HD2 TYR A 38 2.238 16.057 6.956 1.00 41.20 H new ATOM 0 HE1 TYR A 38 5.718 13.196 8.932 1.00 14.55 H new ATOM 0 HE2 TYR A 38 2.301 15.707 9.385 1.00 22.03 H new ATOM 0 HH TYR A 38 3.321 14.736 11.088 1.00 22.44 H new ATOM 587 N ASP A 39 6.509 14.385 3.278 1.00 32.30 N ATOM 588 CA ASP A 39 7.671 13.534 3.056 1.00 33.55 C ATOM 589 C ASP A 39 8.418 13.953 1.794 1.00 15.11 C ATOM 590 O ASP A 39 8.112 13.490 0.695 1.00 13.04 O ATOM 591 CB ASP A 39 7.242 12.069 2.947 1.00 24.25 C ATOM 592 CG ASP A 39 5.950 11.900 2.173 1.00 54.15 C ATOM 593 OD1 ASP A 39 5.698 12.708 1.254 1.00 23.30 O1- ATOM 594 OD2 ASP A 39 5.190 10.960 2.486 1.00 4.51 O ATOM 0 H ASP A 39 5.871 14.443 2.484 1.00 32.30 H new ATOM 0 HA ASP A 39 8.342 13.647 3.908 1.00 33.55 H new ATOM 0 HB2 ASP A 39 8.032 11.498 2.459 1.00 24.25 H new ATOM 0 HB3 ASP A 39 7.120 11.654 3.947 1.00 24.25 H new ATOM 599 N THR A 40 9.401 14.834 1.960 1.00 42.33 N ATOM 600 CA THR A 40 10.191 15.318 0.834 1.00 51.22 C ATOM 601 C THR A 40 10.871 14.165 0.105 1.00 5.24 C ATOM 602 O THR A 40 11.199 14.271 -1.077 1.00 55.42 O ATOM 603 CB THR A 40 11.262 16.325 1.292 1.00 52.44 C ATOM 604 OG1 THR A 40 11.687 16.016 2.624 1.00 3.03 O ATOM 605 CG2 THR A 40 10.725 17.746 1.244 1.00 32.04 C ATOM 0 H THR A 40 9.668 15.226 2.863 1.00 42.33 H new ATOM 0 HA THR A 40 9.501 15.818 0.154 1.00 51.22 H new ATOM 0 HB THR A 40 12.111 16.251 0.613 1.00 52.44 H new ATOM 0 HG1 THR A 40 12.369 16.660 2.907 1.00 3.03 H new ATOM 0 HG21 THR A 40 11.500 18.439 1.572 1.00 32.04 H new ATOM 0 HG22 THR A 40 10.429 17.989 0.223 1.00 32.04 H new ATOM 0 HG23 THR A 40 9.860 17.831 1.902 1.00 32.04 H new ATOM 613 N THR A 41 11.080 13.062 0.817 1.00 61.40 N ATOM 614 CA THR A 41 11.723 11.890 0.236 1.00 21.31 C ATOM 615 C THR A 41 10.737 11.077 -0.596 1.00 74.10 C ATOM 616 O THR A 41 11.132 10.198 -1.361 1.00 32.32 O ATOM 617 CB THR A 41 12.326 10.982 1.325 1.00 11.20 C ATOM 618 OG1 THR A 41 11.284 10.432 2.137 1.00 50.03 O ATOM 619 CG2 THR A 41 13.300 11.760 2.199 1.00 40.10 C ATOM 0 H THR A 41 10.814 12.956 1.796 1.00 61.40 H new ATOM 0 HA THR A 41 12.523 12.256 -0.407 1.00 21.31 H new ATOM 0 HB THR A 41 12.868 10.174 0.834 1.00 11.20 H new ATOM 0 HG1 THR A 41 11.676 9.855 2.825 1.00 50.03 H new ATOM 0 HG21 THR A 41 13.713 11.099 2.961 1.00 40.10 H new ATOM 0 HG22 THR A 41 14.108 12.153 1.582 1.00 40.10 H new ATOM 0 HG23 THR A 41 12.777 12.586 2.681 1.00 40.10 H new ATOM 627 N ALA A 42 9.452 11.377 -0.441 1.00 33.42 N ATOM 628 CA ALA A 42 8.408 10.677 -1.180 1.00 33.24 C ATOM 629 C ALA A 42 7.408 11.657 -1.780 1.00 22.22 C ATOM 630 O ALA A 42 6.250 11.313 -2.013 1.00 41.33 O ATOM 631 CB ALA A 42 7.698 9.682 -0.275 1.00 72.43 C ATOM 0 H ALA A 42 9.108 12.101 0.190 1.00 33.42 H new ATOM 0 HA ALA A 42 8.879 10.134 -1.999 1.00 33.24 H new ATOM 0 HB1 ALA A 42 6.921 9.167 -0.840 1.00 72.43 H new ATOM 0 HB2 ALA A 42 8.417 8.954 0.100 1.00 72.43 H new ATOM 0 HB3 ALA A 42 7.246 10.211 0.564 1.00 72.43 H new ATOM 637 N ALA A 43 7.862 12.881 -2.029 1.00 12.24 N ATOM 638 CA ALA A 43 7.007 13.913 -2.604 1.00 72.33 C ATOM 639 C ALA A 43 7.780 15.208 -2.826 1.00 51.10 C ATOM 640 O ALA A 43 8.869 15.394 -2.280 1.00 33.12 O ATOM 641 CB ALA A 43 5.803 14.160 -1.707 1.00 43.44 C ATOM 0 H ALA A 43 8.818 13.183 -1.841 1.00 12.24 H new ATOM 0 HA ALA A 43 6.657 13.561 -3.574 1.00 72.33 H new ATOM 0 HB1 ALA A 43 5.173 14.933 -2.148 1.00 43.44 H new ATOM 0 HB2 ALA A 43 5.230 13.239 -1.606 1.00 43.44 H new ATOM 0 HB3 ALA A 43 6.143 14.486 -0.724 1.00 43.44 H new ATOM 647 N PHE A 44 7.213 16.101 -3.630 1.00 14.41 N ATOM 648 CA PHE A 44 7.849 17.378 -3.925 1.00 61.30 C ATOM 649 C PHE A 44 6.829 18.513 -3.905 1.00 33.54 C ATOM 650 O PHE A 44 5.621 18.276 -3.850 1.00 25.14 O ATOM 651 CB PHE A 44 8.544 17.324 -5.286 1.00 4.30 C ATOM 652 CG PHE A 44 7.624 16.949 -6.413 1.00 44.33 C ATOM 653 CD1 PHE A 44 7.307 15.621 -6.654 1.00 14.45 C ATOM 654 CD2 PHE A 44 7.076 17.922 -7.231 1.00 25.23 C ATOM 655 CE1 PHE A 44 6.460 15.272 -7.689 1.00 52.44 C ATOM 656 CE2 PHE A 44 6.228 17.580 -8.269 1.00 31.10 C ATOM 657 CZ PHE A 44 5.922 16.253 -8.498 1.00 44.43 C ATOM 0 H PHE A 44 6.313 15.963 -4.089 1.00 14.41 H new ATOM 0 HA PHE A 44 8.594 17.571 -3.153 1.00 61.30 H new ATOM 0 HB2 PHE A 44 8.988 18.297 -5.498 1.00 4.30 H new ATOM 0 HB3 PHE A 44 9.361 16.604 -5.240 1.00 4.30 H new ATOM 0 HD1 PHE A 44 7.727 14.850 -6.025 1.00 14.45 H new ATOM 0 HD2 PHE A 44 7.313 18.961 -7.057 1.00 25.23 H new ATOM 0 HE1 PHE A 44 6.219 14.234 -7.865 1.00 52.44 H new ATOM 0 HE2 PHE A 44 5.806 18.349 -8.899 1.00 31.10 H new ATOM 0 HZ PHE A 44 5.262 15.983 -9.309 1.00 44.43 H new ATOM 667 N HIS A 45 7.323 19.746 -3.951 1.00 30.01 N ATOM 668 CA HIS A 45 6.454 20.918 -3.940 1.00 13.52 C ATOM 669 C HIS A 45 6.622 21.731 -5.220 1.00 32.25 C ATOM 670 O HIS A 45 7.540 21.492 -6.002 1.00 34.05 O ATOM 671 CB HIS A 45 6.758 21.793 -2.723 1.00 41.02 C ATOM 672 CG HIS A 45 8.036 22.566 -2.844 1.00 44.22 C ATOM 673 ND1 HIS A 45 9.276 22.012 -2.610 1.00 74.21 N ATOM 674 CD2 HIS A 45 8.258 23.858 -3.179 1.00 33.33 C ATOM 675 CE1 HIS A 45 10.208 22.930 -2.796 1.00 71.35 C ATOM 676 NE2 HIS A 45 9.616 24.059 -3.141 1.00 4.31 N ATOM 0 H HIS A 45 8.319 19.960 -3.996 1.00 30.01 H new ATOM 0 HA HIS A 45 5.421 20.574 -3.882 1.00 13.52 H new ATOM 0 HB2 HIS A 45 5.934 22.491 -2.573 1.00 41.02 H new ATOM 0 HB3 HIS A 45 6.807 21.162 -1.836 1.00 41.02 H new ATOM 0 HD2 HIS A 45 7.508 24.593 -3.429 1.00 33.33 H new ATOM 0 HE1 HIS A 45 11.272 22.782 -2.685 1.00 71.35 H new ATOM 0 HE2 HIS A 45 10.091 24.938 -3.346 1.00 4.31 H new ATOM 684 N GLY A 46 5.728 22.693 -5.425 1.00 15.53 N ATOM 685 CA GLY A 46 5.793 23.526 -6.611 1.00 51.15 C ATOM 686 C GLY A 46 4.540 24.357 -6.809 1.00 30.33 C ATOM 687 O GLY A 46 3.432 23.893 -6.540 1.00 1.11 O ATOM 0 H GLY A 46 4.960 22.910 -4.790 1.00 15.53 H new ATOM 0 HA2 GLY A 46 6.656 24.188 -6.539 1.00 51.15 H new ATOM 0 HA3 GLY A 46 5.948 22.895 -7.486 1.00 51.15 H new ATOM 691 N CYS A 47 4.716 25.587 -7.277 1.00 73.31 N ATOM 692 CA CYS A 47 3.590 26.485 -7.507 1.00 12.40 C ATOM 693 C CYS A 47 3.295 26.615 -8.999 1.00 61.22 C ATOM 694 O CYS A 47 4.151 27.030 -9.779 1.00 61.52 O ATOM 695 CB CYS A 47 3.882 27.865 -6.913 1.00 0.44 C ATOM 696 SG CYS A 47 2.545 29.077 -7.157 1.00 52.01 S ATOM 0 H CYS A 47 5.627 25.985 -7.505 1.00 73.31 H new ATOM 0 HA CYS A 47 2.714 26.062 -7.015 1.00 12.40 H new ATOM 0 HB2 CYS A 47 4.069 27.757 -5.845 1.00 0.44 H new ATOM 0 HB3 CYS A 47 4.797 28.255 -7.359 1.00 0.44 H new ATOM 701 N GLY A 48 2.076 26.255 -9.387 1.00 51.40 N ATOM 702 CA GLY A 48 1.688 26.340 -10.784 1.00 22.12 C ATOM 703 C GLY A 48 0.345 25.687 -11.053 1.00 74.05 C ATOM 704 O GLY A 48 -0.460 25.509 -10.139 1.00 74.34 O ATOM 0 H GLY A 48 1.350 25.906 -8.761 1.00 51.40 H new ATOM 0 HA2 GLY A 48 1.646 27.387 -11.083 1.00 22.12 H new ATOM 0 HA3 GLY A 48 2.451 25.863 -11.400 1.00 22.12 H new ATOM 708 N ARG A 49 0.104 25.330 -12.310 1.00 34.44 N ATOM 709 CA ARG A 49 -1.150 24.697 -12.696 1.00 43.42 C ATOM 710 C ARG A 49 -0.917 23.259 -13.149 1.00 72.42 C ATOM 711 O ARG A 49 -0.240 23.013 -14.149 1.00 32.25 O ATOM 712 CB ARG A 49 -1.824 25.491 -13.817 1.00 63.11 C ATOM 713 CG ARG A 49 -2.064 26.951 -13.469 1.00 51.12 C ATOM 714 CD ARG A 49 -1.890 27.849 -14.683 1.00 22.53 C ATOM 715 NE ARG A 49 -1.318 29.146 -14.327 1.00 64.14 N ATOM 716 CZ ARG A 49 -0.034 29.331 -14.047 1.00 64.40 C ATOM 717 NH1 ARG A 49 0.810 28.309 -14.081 1.00 71.52 N1+ ATOM 718 NH2 ARG A 49 0.411 30.541 -13.732 1.00 63.11 N ATOM 0 H ARG A 49 0.761 25.469 -13.078 1.00 34.44 H new ATOM 0 HA ARG A 49 -1.804 24.685 -11.824 1.00 43.42 H new ATOM 0 HB2 ARG A 49 -1.205 25.437 -14.712 1.00 63.11 H new ATOM 0 HB3 ARG A 49 -2.778 25.023 -14.060 1.00 63.11 H new ATOM 0 HG2 ARG A 49 -3.071 27.070 -13.069 1.00 51.12 H new ATOM 0 HG3 ARG A 49 -1.371 27.258 -12.686 1.00 51.12 H new ATOM 0 HD2 ARG A 49 -1.245 27.355 -15.410 1.00 22.53 H new ATOM 0 HD3 ARG A 49 -2.856 27.999 -15.165 1.00 22.53 H new ATOM 0 HE ARG A 49 -1.940 29.954 -14.292 1.00 64.14 H new ATOM 0 HH11 ARG A 49 0.473 27.377 -14.323 1.00 71.52 H new ATOM 0 HH12 ARG A 49 1.796 28.455 -13.865 1.00 71.52 H new ATOM 0 HH21 ARG A 49 -0.234 31.331 -13.705 1.00 63.11 H new ATOM 0 HH22 ARG A 49 1.398 30.681 -13.517 1.00 63.11 H new ATOM 732 N ILE A 50 -1.479 22.311 -12.406 1.00 45.20 N ATOM 733 CA ILE A 50 -1.331 20.898 -12.731 1.00 24.22 C ATOM 734 C ILE A 50 -2.647 20.306 -13.224 1.00 32.02 C ATOM 735 O ILE A 50 -2.660 19.325 -13.966 1.00 4.22 O ATOM 736 CB ILE A 50 -0.841 20.088 -11.516 1.00 43.24 C ATOM 737 CG1 ILE A 50 -1.719 20.377 -10.296 1.00 33.24 C ATOM 738 CG2 ILE A 50 0.615 20.412 -11.215 1.00 11.30 C ATOM 739 CD1 ILE A 50 -1.575 19.353 -9.192 1.00 33.13 C ATOM 0 H ILE A 50 -2.041 22.496 -11.575 1.00 45.20 H new ATOM 0 HA ILE A 50 -0.586 20.834 -13.524 1.00 24.22 H new ATOM 0 HB ILE A 50 -0.915 19.026 -11.752 1.00 43.24 H new ATOM 0 HG12 ILE A 50 -1.467 21.362 -9.902 1.00 33.24 H new ATOM 0 HG13 ILE A 50 -2.762 20.416 -10.610 1.00 33.24 H new ATOM 0 HG21 ILE A 50 0.946 19.832 -10.354 1.00 11.30 H new ATOM 0 HG22 ILE A 50 1.230 20.162 -12.080 1.00 11.30 H new ATOM 0 HG23 ILE A 50 0.713 21.475 -10.996 1.00 11.30 H new ATOM 0 HD11 ILE A 50 -2.226 19.621 -8.360 1.00 33.13 H new ATOM 0 HD12 ILE A 50 -1.855 18.369 -9.569 1.00 33.13 H new ATOM 0 HD13 ILE A 50 -0.540 19.329 -8.850 1.00 33.13 H new ATOM 751 N TRP A 51 -3.754 20.913 -12.808 1.00 65.10 N ATOM 752 CA TRP A 51 -5.076 20.447 -13.209 1.00 64.31 C ATOM 753 C TRP A 51 -5.614 21.271 -14.373 1.00 21.13 C ATOM 754 O TRP A 51 -5.223 22.419 -14.585 1.00 63.40 O ATOM 755 CB TRP A 51 -6.045 20.519 -12.027 1.00 25.32 C ATOM 756 CG TRP A 51 -5.738 19.527 -10.946 1.00 35.44 C ATOM 757 CD1 TRP A 51 -5.289 19.800 -9.685 1.00 65.11 C ATOM 758 CD2 TRP A 51 -5.855 18.102 -11.032 1.00 50.02 C ATOM 759 NE1 TRP A 51 -5.119 18.631 -8.982 1.00 72.11 N ATOM 760 CE2 TRP A 51 -5.462 17.576 -9.786 1.00 35.13 C ATOM 761 CE3 TRP A 51 -6.258 17.220 -12.039 1.00 1.24 C ATOM 762 CZ2 TRP A 51 -5.458 16.208 -9.524 1.00 0.23 C ATOM 763 CZ3 TRP A 51 -6.253 15.864 -11.777 1.00 32.24 C ATOM 764 CH2 TRP A 51 -5.856 15.369 -10.528 1.00 32.35 C ATOM 0 H TRP A 51 -3.762 21.728 -12.194 1.00 65.10 H new ATOM 0 HA TRP A 51 -4.985 19.410 -13.533 1.00 64.31 H new ATOM 0 HB2 TRP A 51 -6.019 21.524 -11.606 1.00 25.32 H new ATOM 0 HB3 TRP A 51 -7.060 20.350 -12.387 1.00 25.32 H new ATOM 0 HD1 TRP A 51 -5.096 20.789 -9.297 1.00 65.11 H new ATOM 0 HE1 TRP A 51 -4.791 18.561 -8.019 1.00 72.11 H new ATOM 0 HE3 TRP A 51 -6.568 17.592 -13.004 1.00 1.24 H new ATOM 0 HZ2 TRP A 51 -5.152 15.824 -8.562 1.00 0.23 H new ATOM 0 HZ3 TRP A 51 -6.560 15.173 -12.548 1.00 32.24 H new ATOM 0 HH2 TRP A 51 -5.864 14.303 -10.354 1.00 32.35 H new ATOM 775 N PRO A 52 -6.534 20.676 -15.147 1.00 33.22 N ATOM 776 CA PRO A 52 -7.146 21.338 -16.302 1.00 11.42 C ATOM 777 C PRO A 52 -8.081 22.472 -15.893 1.00 61.34 C ATOM 778 O PRO A 52 -8.259 23.441 -16.631 1.00 42.35 O ATOM 779 CB PRO A 52 -7.931 20.214 -16.981 1.00 73.34 C ATOM 780 CG PRO A 52 -8.222 19.243 -15.889 1.00 72.40 C ATOM 781 CD PRO A 52 -7.047 19.310 -14.953 1.00 33.43 C ATOM 0 HA PRO A 52 -6.401 21.804 -16.946 1.00 11.42 H new ATOM 0 HB2 PRO A 52 -8.849 20.589 -17.433 1.00 73.34 H new ATOM 0 HB3 PRO A 52 -7.350 19.751 -17.778 1.00 73.34 H new ATOM 0 HG2 PRO A 52 -9.147 19.501 -15.373 1.00 72.40 H new ATOM 0 HG3 PRO A 52 -8.348 18.236 -16.286 1.00 72.40 H new ATOM 0 HD2 PRO A 52 -7.346 19.136 -13.919 1.00 33.43 H new ATOM 0 HD3 PRO A 52 -6.295 18.560 -15.198 1.00 33.43 H new ATOM 789 N LYS A 53 -8.677 22.344 -14.712 1.00 42.35 N ATOM 790 CA LYS A 53 -9.592 23.356 -14.204 1.00 54.32 C ATOM 791 C LYS A 53 -8.866 24.678 -13.967 1.00 33.53 C ATOM 792 O LYS A 53 -9.347 25.740 -14.364 1.00 74.30 O ATOM 793 CB LYS A 53 -10.240 22.881 -12.901 1.00 22.44 C ATOM 794 CG LYS A 53 -11.568 22.172 -13.106 1.00 55.12 C ATOM 795 CD LYS A 53 -12.429 22.226 -11.856 1.00 65.22 C ATOM 796 CE LYS A 53 -12.921 23.638 -11.579 1.00 22.10 C ATOM 797 NZ LYS A 53 -14.219 23.639 -10.847 1.00 32.33 N1+ ATOM 0 H LYS A 53 -8.542 21.548 -14.089 1.00 42.35 H new ATOM 0 HA LYS A 53 -10.368 23.515 -14.953 1.00 54.32 H new ATOM 0 HB2 LYS A 53 -9.553 22.208 -12.388 1.00 22.44 H new ATOM 0 HB3 LYS A 53 -10.393 23.739 -12.247 1.00 22.44 H new ATOM 0 HG2 LYS A 53 -12.103 22.632 -13.937 1.00 55.12 H new ATOM 0 HG3 LYS A 53 -11.388 21.132 -13.380 1.00 55.12 H new ATOM 0 HD2 LYS A 53 -13.283 21.558 -11.972 1.00 65.22 H new ATOM 0 HD3 LYS A 53 -11.856 21.865 -11.002 1.00 65.22 H new ATOM 0 HE2 LYS A 53 -12.174 24.175 -10.995 1.00 22.10 H new ATOM 0 HE3 LYS A 53 -13.035 24.174 -12.521 1.00 22.10 H new ATOM 0 HZ1 LYS A 53 -14.521 24.620 -10.677 1.00 32.33 H new ATOM 0 HZ2 LYS A 53 -14.939 23.149 -11.416 1.00 32.33 H new ATOM 0 HZ3 LYS A 53 -14.105 23.149 -9.937 1.00 32.33 H new ATOM 811 N ASP A 54 -7.708 24.605 -13.321 1.00 52.15 N ATOM 812 CA ASP A 54 -6.915 25.794 -13.036 1.00 1.22 C ATOM 813 C ASP A 54 -6.322 26.373 -14.317 1.00 22.44 C ATOM 814 O ASP A 54 -6.090 27.577 -14.418 1.00 3.21 O ATOM 815 CB ASP A 54 -5.797 25.463 -12.045 1.00 23.13 C ATOM 816 CG ASP A 54 -6.328 25.115 -10.668 1.00 24.34 C ATOM 817 OD1 ASP A 54 -6.924 26.000 -10.021 1.00 70.21 O1- ATOM 818 OD2 ASP A 54 -6.147 23.957 -10.237 1.00 52.31 O ATOM 0 H ASP A 54 -7.297 23.734 -12.985 1.00 52.15 H new ATOM 0 HA ASP A 54 -7.573 26.541 -12.592 1.00 1.22 H new ATOM 0 HB2 ASP A 54 -5.212 24.627 -12.428 1.00 23.13 H new ATOM 0 HB3 ASP A 54 -5.121 26.315 -11.966 1.00 23.13 H new ATOM 823 N LYS A 55 -6.076 25.505 -15.293 1.00 0.11 N ATOM 824 CA LYS A 55 -5.510 25.927 -16.568 1.00 71.30 C ATOM 825 C LYS A 55 -6.468 26.856 -17.308 1.00 30.04 C ATOM 826 O LYS A 55 -6.041 27.788 -17.991 1.00 33.44 O ATOM 827 CB LYS A 55 -5.191 24.708 -17.436 1.00 4.34 C ATOM 828 CG LYS A 55 -4.765 25.064 -18.851 1.00 61.13 C ATOM 829 CD LYS A 55 -5.754 24.541 -19.879 1.00 32.24 C ATOM 830 CE LYS A 55 -5.844 25.463 -21.086 1.00 73.20 C ATOM 831 NZ LYS A 55 -5.554 24.744 -22.357 1.00 23.02 N1+ ATOM 0 H LYS A 55 -6.260 24.504 -15.225 1.00 0.11 H new ATOM 0 HA LYS A 55 -4.588 26.472 -16.365 1.00 71.30 H new ATOM 0 HB2 LYS A 55 -4.397 24.131 -16.961 1.00 4.34 H new ATOM 0 HB3 LYS A 55 -6.070 24.064 -17.481 1.00 4.34 H new ATOM 0 HG2 LYS A 55 -4.680 26.147 -18.945 1.00 61.13 H new ATOM 0 HG3 LYS A 55 -3.777 24.648 -19.050 1.00 61.13 H new ATOM 0 HD2 LYS A 55 -5.452 23.545 -20.202 1.00 32.24 H new ATOM 0 HD3 LYS A 55 -6.738 24.442 -19.421 1.00 32.24 H new ATOM 0 HE2 LYS A 55 -6.841 25.900 -21.136 1.00 73.20 H new ATOM 0 HE3 LYS A 55 -5.141 26.287 -20.967 1.00 73.20 H new ATOM 0 HZ1 LYS A 55 -5.626 25.407 -23.155 1.00 23.02 H new ATOM 0 HZ2 LYS A 55 -4.593 24.349 -22.321 1.00 23.02 H new ATOM 0 HZ3 LYS A 55 -6.241 23.973 -22.484 1.00 23.02 H new ATOM 845 N ARG A 56 -7.764 26.597 -17.167 1.00 42.23 N ATOM 846 CA ARG A 56 -8.782 27.408 -17.821 1.00 60.15 C ATOM 847 C ARG A 56 -8.684 28.864 -17.377 1.00 33.12 C ATOM 848 O ARG A 56 -8.841 29.782 -18.182 1.00 23.12 O ATOM 849 CB ARG A 56 -10.177 26.863 -17.514 1.00 63.23 C ATOM 850 CG ARG A 56 -10.363 25.407 -17.910 1.00 4.43 C ATOM 851 CD ARG A 56 -11.048 25.282 -19.262 1.00 71.40 C ATOM 852 NE ARG A 56 -11.682 23.978 -19.435 1.00 11.52 N ATOM 853 CZ ARG A 56 -11.009 22.864 -19.703 1.00 41.21 C ATOM 854 NH1 ARG A 56 -9.690 22.896 -19.827 1.00 51.32 N1+ ATOM 855 NH2 ARG A 56 -11.656 21.714 -19.847 1.00 63.40 N ATOM 0 H ARG A 56 -8.133 25.830 -16.605 1.00 42.23 H new ATOM 0 HA ARG A 56 -8.611 27.361 -18.897 1.00 60.15 H new ATOM 0 HB2 ARG A 56 -10.372 26.968 -16.447 1.00 63.23 H new ATOM 0 HB3 ARG A 56 -10.918 27.470 -18.035 1.00 63.23 H new ATOM 0 HG2 ARG A 56 -9.393 24.911 -17.945 1.00 4.43 H new ATOM 0 HG3 ARG A 56 -10.955 24.895 -17.152 1.00 4.43 H new ATOM 0 HD2 ARG A 56 -11.798 26.066 -19.362 1.00 71.40 H new ATOM 0 HD3 ARG A 56 -10.316 25.438 -20.055 1.00 71.40 H new ATOM 0 HE ARG A 56 -12.696 23.919 -19.345 1.00 11.52 H new ATOM 0 HH11 ARG A 56 -9.189 23.777 -19.717 1.00 51.32 H new ATOM 0 HH12 ARG A 56 -9.176 22.039 -20.033 1.00 51.32 H new ATOM 0 HH21 ARG A 56 -12.671 21.685 -19.752 1.00 63.40 H new ATOM 0 HH22 ARG A 56 -11.138 20.860 -20.053 1.00 63.40 H new ATOM 869 N GLU A 57 -8.423 29.069 -16.089 1.00 1.14 N ATOM 870 CA GLU A 57 -8.307 30.414 -15.538 1.00 73.50 C ATOM 871 C GLU A 57 -6.874 30.927 -15.654 1.00 75.12 C ATOM 872 O GLU A 57 -6.623 32.128 -15.557 1.00 65.11 O ATOM 873 CB GLU A 57 -8.749 30.428 -14.073 1.00 24.12 C ATOM 874 CG GLU A 57 -10.233 30.695 -13.887 1.00 62.23 C ATOM 875 CD GLU A 57 -10.506 32.007 -13.177 1.00 4.11 C ATOM 876 OE1 GLU A 57 -9.967 33.042 -13.617 1.00 2.34 O ATOM 877 OE2 GLU A 57 -11.261 31.996 -12.183 1.00 34.10 O1- ATOM 0 H GLU A 57 -8.288 28.321 -15.409 1.00 1.14 H new ATOM 0 HA GLU A 57 -8.958 31.073 -16.113 1.00 73.50 H new ATOM 0 HB2 GLU A 57 -8.501 29.469 -13.619 1.00 24.12 H new ATOM 0 HB3 GLU A 57 -8.182 31.190 -13.538 1.00 24.12 H new ATOM 0 HG2 GLU A 57 -10.721 30.705 -14.861 1.00 62.23 H new ATOM 0 HG3 GLU A 57 -10.676 29.879 -13.317 1.00 62.23 H new ATOM 884 N LYS A 58 -5.938 30.008 -15.860 1.00 50.53 N ATOM 885 CA LYS A 58 -4.530 30.364 -15.991 1.00 42.02 C ATOM 886 C LYS A 58 -4.033 31.083 -14.741 1.00 73.23 C ATOM 887 O LYS A 58 -3.647 32.250 -14.796 1.00 73.04 O ATOM 888 CB LYS A 58 -4.318 31.249 -17.220 1.00 61.50 C ATOM 889 CG LYS A 58 -4.628 30.551 -18.534 1.00 44.31 C ATOM 890 CD LYS A 58 -3.724 29.350 -18.753 1.00 22.35 C ATOM 891 CE LYS A 58 -2.260 29.756 -18.800 1.00 42.41 C ATOM 892 NZ LYS A 58 -2.021 30.859 -19.771 1.00 3.31 N1+ ATOM 0 H LYS A 58 -6.129 29.009 -15.940 1.00 50.53 H new ATOM 0 HA LYS A 58 -3.958 29.444 -16.112 1.00 42.02 H new ATOM 0 HB2 LYS A 58 -4.947 32.135 -17.132 1.00 61.50 H new ATOM 0 HB3 LYS A 58 -3.284 31.592 -17.236 1.00 61.50 H new ATOM 0 HG2 LYS A 58 -5.670 30.230 -18.540 1.00 44.31 H new ATOM 0 HG3 LYS A 58 -4.507 31.254 -19.358 1.00 44.31 H new ATOM 0 HD2 LYS A 58 -3.877 28.627 -17.951 1.00 22.35 H new ATOM 0 HD3 LYS A 58 -3.995 28.854 -19.685 1.00 22.35 H new ATOM 0 HE2 LYS A 58 -1.938 30.070 -17.807 1.00 42.41 H new ATOM 0 HE3 LYS A 58 -1.653 28.893 -19.074 1.00 42.41 H new ATOM 0 HZ1 LYS A 58 -0.999 30.959 -19.939 1.00 3.31 H new ATOM 0 HZ2 LYS A 58 -2.499 30.641 -20.668 1.00 3.31 H new ATOM 0 HZ3 LYS A 58 -2.397 31.749 -19.385 1.00 3.31 H new ATOM 906 N VAL A 59 -4.044 30.377 -13.614 1.00 2.35 N ATOM 907 CA VAL A 59 -3.592 30.949 -12.350 1.00 3.13 C ATOM 908 C VAL A 59 -2.760 29.945 -11.561 1.00 32.04 C ATOM 909 O VAL A 59 -3.256 28.896 -11.152 1.00 24.43 O ATOM 910 CB VAL A 59 -4.780 31.407 -11.484 1.00 0.14 C ATOM 911 CG1 VAL A 59 -5.784 30.278 -11.315 1.00 75.04 C ATOM 912 CG2 VAL A 59 -4.293 31.907 -10.133 1.00 61.33 C ATOM 0 H VAL A 59 -4.360 29.409 -13.550 1.00 2.35 H new ATOM 0 HA VAL A 59 -2.977 31.815 -12.596 1.00 3.13 H new ATOM 0 HB VAL A 59 -5.280 32.232 -11.991 1.00 0.14 H new ATOM 0 HG11 VAL A 59 -6.616 30.620 -10.700 1.00 75.04 H new ATOM 0 HG12 VAL A 59 -6.157 29.973 -12.293 1.00 75.04 H new ATOM 0 HG13 VAL A 59 -5.300 29.430 -10.831 1.00 75.04 H new ATOM 0 HG21 VAL A 59 -5.146 32.227 -9.534 1.00 61.33 H new ATOM 0 HG22 VAL A 59 -3.767 31.104 -9.616 1.00 61.33 H new ATOM 0 HG23 VAL A 59 -3.616 32.749 -10.279 1.00 61.33 H new ATOM 922 N ASP A 60 -1.490 30.276 -11.349 1.00 14.15 N ATOM 923 CA ASP A 60 -0.587 29.404 -10.606 1.00 22.51 C ATOM 924 C ASP A 60 -1.140 29.109 -9.214 1.00 13.20 C ATOM 925 O ASP A 60 -1.553 30.017 -8.495 1.00 44.21 O ATOM 926 CB ASP A 60 0.798 30.044 -10.493 1.00 60.44 C ATOM 927 CG ASP A 60 0.726 31.533 -10.217 1.00 44.41 C ATOM 928 OD1 ASP A 60 -0.255 31.971 -9.579 1.00 45.21 O ATOM 929 OD2 ASP A 60 1.649 32.261 -10.639 1.00 43.53 O1- ATOM 0 H ASP A 60 -1.063 31.141 -11.681 1.00 14.15 H new ATOM 0 HA ASP A 60 -0.500 28.464 -11.150 1.00 22.51 H new ATOM 0 HB2 ASP A 60 1.357 29.556 -9.694 1.00 60.44 H new ATOM 0 HB3 ASP A 60 1.350 29.875 -11.418 1.00 60.44 H new ATOM 934 N ARG A 61 -1.143 27.832 -8.843 1.00 3.03 N ATOM 935 CA ARG A 61 -1.645 27.418 -7.539 1.00 14.00 C ATOM 936 C ARG A 61 -0.709 26.399 -6.895 1.00 1.23 C ATOM 937 O ARG A 61 -0.009 25.659 -7.586 1.00 63.34 O ATOM 938 CB ARG A 61 -3.048 26.823 -7.677 1.00 5.22 C ATOM 939 CG ARG A 61 -4.057 27.777 -8.295 1.00 53.15 C ATOM 940 CD ARG A 61 -5.093 28.229 -7.278 1.00 54.13 C ATOM 941 NE ARG A 61 -6.276 27.372 -7.284 1.00 11.11 N ATOM 942 CZ ARG A 61 -7.455 27.742 -6.796 1.00 44.10 C ATOM 943 NH1 ARG A 61 -7.607 28.948 -6.268 1.00 75.50 N1+ ATOM 944 NH2 ARG A 61 -8.484 26.906 -6.838 1.00 12.20 N ATOM 0 H ARG A 61 -0.804 27.068 -9.427 1.00 3.03 H new ATOM 0 HA ARG A 61 -1.692 28.298 -6.898 1.00 14.00 H new ATOM 0 HB2 ARG A 61 -2.993 25.921 -8.287 1.00 5.22 H new ATOM 0 HB3 ARG A 61 -3.403 26.520 -6.692 1.00 5.22 H new ATOM 0 HG2 ARG A 61 -3.538 28.647 -8.698 1.00 53.15 H new ATOM 0 HG3 ARG A 61 -4.556 27.288 -9.132 1.00 53.15 H new ATOM 0 HD2 ARG A 61 -4.649 28.227 -6.283 1.00 54.13 H new ATOM 0 HD3 ARG A 61 -5.388 29.256 -7.493 1.00 54.13 H new ATOM 0 HE ARG A 61 -6.192 26.438 -7.685 1.00 11.11 H new ATOM 0 HH11 ARG A 61 -6.818 29.594 -6.236 1.00 75.50 H new ATOM 0 HH12 ARG A 61 -8.513 29.230 -5.894 1.00 75.50 H new ATOM 0 HH21 ARG A 61 -8.371 25.978 -7.245 1.00 12.20 H new ATOM 0 HH22 ARG A 61 -9.389 27.191 -6.463 1.00 12.20 H new ATOM 958 N CYS A 62 -0.704 26.367 -5.566 1.00 42.04 N ATOM 959 CA CYS A 62 0.146 25.441 -4.828 1.00 0.35 C ATOM 960 C CYS A 62 -0.341 24.004 -4.995 1.00 41.03 C ATOM 961 O CYS A 62 -1.521 23.711 -4.797 1.00 41.35 O ATOM 962 CB CYS A 62 0.170 25.813 -3.344 1.00 62.15 C ATOM 963 SG CYS A 62 1.027 24.600 -2.288 1.00 73.51 S ATOM 0 H CYS A 62 -1.279 26.971 -4.979 1.00 42.04 H new ATOM 0 HA CYS A 62 1.156 25.513 -5.231 1.00 0.35 H new ATOM 0 HB2 CYS A 62 0.654 26.783 -3.231 1.00 62.15 H new ATOM 0 HB3 CYS A 62 -0.855 25.925 -2.992 1.00 62.15 H new ATOM 968 N TYR A 63 0.574 23.114 -5.360 1.00 45.52 N ATOM 969 CA TYR A 63 0.238 21.709 -5.556 1.00 14.20 C ATOM 970 C TYR A 63 1.307 20.803 -4.952 1.00 21.05 C ATOM 971 O TYR A 63 2.448 21.221 -4.750 1.00 3.33 O ATOM 972 CB TYR A 63 0.081 21.404 -7.048 1.00 45.41 C ATOM 973 CG TYR A 63 1.370 21.523 -7.830 1.00 52.45 C ATOM 974 CD1 TYR A 63 2.275 20.469 -7.879 1.00 1.01 C ATOM 975 CD2 TYR A 63 1.684 22.687 -8.517 1.00 72.13 C ATOM 976 CE1 TYR A 63 3.454 20.573 -8.591 1.00 53.34 C ATOM 977 CE2 TYR A 63 2.859 22.800 -9.234 1.00 13.22 C ATOM 978 CZ TYR A 63 3.741 21.739 -9.267 1.00 70.24 C ATOM 979 OH TYR A 63 4.915 21.848 -9.978 1.00 43.32 O ATOM 0 H TYR A 63 1.555 23.340 -5.526 1.00 45.52 H new ATOM 0 HA TYR A 63 -0.707 21.514 -5.049 1.00 14.20 H new ATOM 0 HB2 TYR A 63 -0.313 20.394 -7.164 1.00 45.41 H new ATOM 0 HB3 TYR A 63 -0.656 22.085 -7.474 1.00 45.41 H new ATOM 0 HD1 TYR A 63 2.052 19.553 -7.351 1.00 1.01 H new ATOM 0 HD2 TYR A 63 0.997 23.520 -8.491 1.00 72.13 H new ATOM 0 HE1 TYR A 63 4.147 19.745 -8.618 1.00 53.34 H new ATOM 0 HE2 TYR A 63 3.086 23.712 -9.765 1.00 13.22 H new ATOM 0 HH TYR A 63 4.963 22.733 -10.396 1.00 43.32 H new ATOM 989 N ILE A 64 0.928 19.562 -4.665 1.00 55.33 N ATOM 990 CA ILE A 64 1.853 18.598 -4.084 1.00 5.43 C ATOM 991 C ILE A 64 1.576 17.190 -4.602 1.00 12.54 C ATOM 992 O ILE A 64 0.484 16.654 -4.418 1.00 4.15 O ATOM 993 CB ILE A 64 1.770 18.593 -2.546 1.00 2.33 C ATOM 994 CG1 ILE A 64 2.121 19.973 -1.990 1.00 75.43 C ATOM 995 CG2 ILE A 64 2.695 17.531 -1.969 1.00 44.01 C ATOM 996 CD1 ILE A 64 1.964 20.078 -0.490 1.00 11.12 C ATOM 0 H ILE A 64 -0.012 19.201 -4.825 1.00 55.33 H new ATOM 0 HA ILE A 64 2.856 18.903 -4.384 1.00 5.43 H new ATOM 0 HB ILE A 64 0.748 18.354 -2.253 1.00 2.33 H new ATOM 0 HG12 ILE A 64 3.150 20.212 -2.257 1.00 75.43 H new ATOM 0 HG13 ILE A 64 1.486 20.720 -2.467 1.00 75.43 H new ATOM 0 HG21 ILE A 64 2.625 17.540 -0.881 1.00 44.01 H new ATOM 0 HG22 ILE A 64 2.401 16.550 -2.344 1.00 44.01 H new ATOM 0 HG23 ILE A 64 3.722 17.741 -2.268 1.00 44.01 H new ATOM 0 HD11 ILE A 64 2.230 21.084 -0.166 1.00 11.12 H new ATOM 0 HD12 ILE A 64 0.929 19.871 -0.217 1.00 11.12 H new ATOM 0 HD13 ILE A 64 2.619 19.355 -0.004 1.00 11.12 H new ATOM 1008 N CYS A 65 2.574 16.597 -5.249 1.00 21.21 N ATOM 1009 CA CYS A 65 2.439 15.251 -5.793 1.00 73.21 C ATOM 1010 C CYS A 65 3.471 14.310 -5.177 1.00 10.41 C ATOM 1011 O CYS A 65 4.542 14.740 -4.751 1.00 53.41 O ATOM 1012 CB CYS A 65 2.598 15.275 -7.314 1.00 24.12 C ATOM 1013 SG CYS A 65 1.315 16.233 -8.180 1.00 3.43 S ATOM 0 H CYS A 65 3.485 17.027 -5.409 1.00 21.21 H new ATOM 0 HA CYS A 65 1.443 14.883 -5.545 1.00 73.21 H new ATOM 0 HB2 CYS A 65 3.575 15.691 -7.560 1.00 24.12 H new ATOM 0 HB3 CYS A 65 2.585 14.251 -7.686 1.00 24.12 H new ATOM 1018 N ASN A 66 3.141 13.023 -5.135 1.00 44.32 N ATOM 1019 CA ASN A 66 4.038 12.021 -4.573 1.00 53.41 C ATOM 1020 C ASN A 66 5.251 11.810 -5.472 1.00 40.54 C ATOM 1021 O ASN A 66 5.273 12.261 -6.617 1.00 42.44 O ATOM 1022 CB ASN A 66 3.297 10.696 -4.377 1.00 4.34 C ATOM 1023 CG ASN A 66 2.803 10.111 -5.684 1.00 53.40 C ATOM 1024 OD1 ASN A 66 2.760 10.797 -6.706 1.00 23.11 O ATOM 1025 ND2 ASN A 66 2.424 8.839 -5.658 1.00 12.22 N ATOM 0 H ASN A 66 2.258 12.650 -5.484 1.00 44.32 H new ATOM 0 HA ASN A 66 4.385 12.383 -3.605 1.00 53.41 H new ATOM 0 HB2 ASN A 66 3.960 9.981 -3.890 1.00 4.34 H new ATOM 0 HB3 ASN A 66 2.450 10.852 -3.709 1.00 4.34 H new ATOM 0 HD21 ASN A 66 2.080 8.392 -6.508 1.00 12.22 H new ATOM 0 HD22 ASN A 66 2.477 8.309 -4.788 1.00 12.22 H new ATOM 1032 N ASN A 67 6.259 11.121 -4.946 1.00 11.55 N ATOM 1033 CA ASN A 67 7.475 10.849 -5.703 1.00 15.23 C ATOM 1034 C ASN A 67 7.163 10.071 -6.978 1.00 64.24 C ATOM 1035 O ASN A 67 7.867 10.194 -7.979 1.00 61.44 O ATOM 1036 CB ASN A 67 8.470 10.065 -4.844 1.00 20.14 C ATOM 1037 CG ASN A 67 7.993 8.657 -4.548 1.00 74.45 C ATOM 1038 OD1 ASN A 67 6.802 8.423 -4.340 1.00 73.43 O ATOM 1039 ND2 ASN A 67 8.923 7.709 -4.528 1.00 24.13 N ATOM 0 H ASN A 67 6.257 10.741 -3.999 1.00 11.55 H new ATOM 0 HA ASN A 67 7.919 11.804 -5.983 1.00 15.23 H new ATOM 0 HB2 ASN A 67 9.431 10.020 -5.356 1.00 20.14 H new ATOM 0 HB3 ASN A 67 8.633 10.595 -3.906 1.00 20.14 H new ATOM 0 HD21 ASN A 67 8.662 6.742 -4.335 1.00 24.13 H new ATOM 0 HD22 ASN A 67 9.899 7.948 -4.706 1.00 24.13 H new ATOM 1046 N GLU A 68 6.101 9.273 -6.930 1.00 2.34 N ATOM 1047 CA GLU A 68 5.696 8.475 -8.081 1.00 64.21 C ATOM 1048 C GLU A 68 4.956 9.333 -9.105 1.00 23.15 C ATOM 1049 O GLU A 68 4.688 8.893 -10.223 1.00 62.10 O ATOM 1050 CB GLU A 68 4.806 7.312 -7.636 1.00 13.03 C ATOM 1051 CG GLU A 68 5.327 6.583 -6.410 1.00 32.42 C ATOM 1052 CD GLU A 68 4.791 5.168 -6.300 1.00 43.55 C ATOM 1053 OE1 GLU A 68 3.662 4.923 -6.772 1.00 12.11 O ATOM 1054 OE2 GLU A 68 5.502 4.307 -5.740 1.00 63.23 O1- ATOM 0 H GLU A 68 5.507 9.162 -6.108 1.00 2.34 H new ATOM 0 HA GLU A 68 6.596 8.076 -8.549 1.00 64.21 H new ATOM 0 HB2 GLU A 68 3.806 7.691 -7.426 1.00 13.03 H new ATOM 0 HB3 GLU A 68 4.712 6.602 -8.458 1.00 13.03 H new ATOM 0 HG2 GLU A 68 6.416 6.553 -6.445 1.00 32.42 H new ATOM 0 HG3 GLU A 68 5.052 7.142 -5.516 1.00 32.42 H new ATOM 1061 N LYS A 69 4.627 10.558 -8.713 1.00 71.44 N ATOM 1062 CA LYS A 69 3.919 11.480 -9.593 1.00 40.30 C ATOM 1063 C LYS A 69 2.649 10.838 -10.144 1.00 12.13 C ATOM 1064 O LYS A 69 2.244 11.111 -11.275 1.00 32.33 O ATOM 1065 CB LYS A 69 4.825 11.915 -10.747 1.00 41.01 C ATOM 1066 CG LYS A 69 5.799 13.018 -10.372 1.00 21.00 C ATOM 1067 CD LYS A 69 6.628 13.459 -11.566 1.00 71.15 C ATOM 1068 CE LYS A 69 6.100 14.756 -12.163 1.00 4.11 C ATOM 1069 NZ LYS A 69 6.357 14.836 -13.628 1.00 61.00 N1+ ATOM 0 H LYS A 69 4.840 10.936 -7.790 1.00 71.44 H new ATOM 0 HA LYS A 69 3.639 12.357 -9.009 1.00 40.30 H new ATOM 0 HB2 LYS A 69 5.387 11.051 -11.103 1.00 41.01 H new ATOM 0 HB3 LYS A 69 4.205 12.256 -11.576 1.00 41.01 H new ATOM 0 HG2 LYS A 69 5.249 13.871 -9.975 1.00 21.00 H new ATOM 0 HG3 LYS A 69 6.459 12.667 -9.579 1.00 21.00 H new ATOM 0 HD2 LYS A 69 7.665 13.594 -11.260 1.00 71.15 H new ATOM 0 HD3 LYS A 69 6.619 12.677 -12.326 1.00 71.15 H new ATOM 0 HE2 LYS A 69 5.029 14.832 -11.977 1.00 4.11 H new ATOM 0 HE3 LYS A 69 6.571 15.604 -11.665 1.00 4.11 H new ATOM 0 HZ1 LYS A 69 5.983 15.733 -13.998 1.00 61.00 H new ATOM 0 HZ2 LYS A 69 7.381 14.789 -13.804 1.00 61.00 H new ATOM 0 HZ3 LYS A 69 5.887 14.042 -14.107 1.00 61.00 H new ATOM 1083 N THR A 70 2.024 9.984 -9.338 1.00 30.31 N ATOM 1084 CA THR A 70 0.803 9.304 -9.746 1.00 22.31 C ATOM 1085 C THR A 70 -0.416 9.893 -9.041 1.00 43.33 C ATOM 1086 O THR A 70 -1.502 9.966 -9.614 1.00 43.31 O ATOM 1087 CB THR A 70 0.873 7.794 -9.449 1.00 53.45 C ATOM 1088 OG1 THR A 70 0.843 7.572 -8.034 1.00 5.25 O ATOM 1089 CG2 THR A 70 2.136 7.186 -10.037 1.00 43.40 C ATOM 0 H THR A 70 2.345 9.748 -8.399 1.00 30.31 H new ATOM 0 HA THR A 70 0.705 9.450 -10.822 1.00 22.31 H new ATOM 0 HB THR A 70 0.010 7.314 -9.910 1.00 53.45 H new ATOM 0 HG1 THR A 70 1.565 6.958 -7.784 1.00 5.25 H new ATOM 0 HG21 THR A 70 2.164 6.119 -9.815 1.00 43.40 H new ATOM 0 HG22 THR A 70 2.141 7.332 -11.117 1.00 43.40 H new ATOM 0 HG23 THR A 70 3.010 7.670 -9.601 1.00 43.40 H new ATOM 1097 N LEU A 71 -0.225 10.312 -7.795 1.00 55.15 N ATOM 1098 CA LEU A 71 -1.309 10.896 -7.011 1.00 63.21 C ATOM 1099 C LEU A 71 -1.002 12.346 -6.651 1.00 74.32 C ATOM 1100 O LEU A 71 0.086 12.659 -6.168 1.00 71.24 O ATOM 1101 CB LEU A 71 -1.540 10.080 -5.738 1.00 51.23 C ATOM 1102 CG LEU A 71 -2.963 10.098 -5.178 1.00 34.13 C ATOM 1103 CD1 LEU A 71 -3.245 8.823 -4.399 1.00 32.00 C ATOM 1104 CD2 LEU A 71 -3.176 11.322 -4.299 1.00 23.13 C ATOM 0 H LEU A 71 0.669 10.259 -7.306 1.00 55.15 H new ATOM 0 HA LEU A 71 -2.214 10.876 -7.618 1.00 63.21 H new ATOM 0 HB2 LEU A 71 -1.263 9.045 -5.939 1.00 51.23 H new ATOM 0 HB3 LEU A 71 -0.863 10.448 -4.967 1.00 51.23 H new ATOM 0 HG LEU A 71 -3.661 10.151 -6.013 1.00 34.13 H new ATOM 0 HD11 LEU A 71 -4.262 8.853 -4.008 1.00 32.00 H new ATOM 0 HD12 LEU A 71 -3.135 7.962 -5.058 1.00 32.00 H new ATOM 0 HD13 LEU A 71 -2.540 8.739 -3.572 1.00 32.00 H new ATOM 0 HD21 LEU A 71 -4.194 11.318 -3.910 1.00 23.13 H new ATOM 0 HD22 LEU A 71 -2.470 11.301 -3.469 1.00 23.13 H new ATOM 0 HD23 LEU A 71 -3.017 12.225 -4.888 1.00 23.13 H new ATOM 1116 N CYS A 72 -1.969 13.227 -6.890 1.00 53.03 N ATOM 1117 CA CYS A 72 -1.802 14.644 -6.590 1.00 32.24 C ATOM 1118 C CYS A 72 -3.025 15.193 -5.861 1.00 44.23 C ATOM 1119 O CYS A 72 -4.107 14.604 -5.907 1.00 42.24 O ATOM 1120 CB CYS A 72 -1.565 15.434 -7.878 1.00 15.44 C ATOM 1121 SG CYS A 72 -0.089 14.913 -8.809 1.00 43.01 S ATOM 0 H CYS A 72 -2.875 12.984 -7.290 1.00 53.03 H new ATOM 0 HA CYS A 72 -0.934 14.753 -5.940 1.00 32.24 H new ATOM 0 HB2 CYS A 72 -2.440 15.333 -8.520 1.00 15.44 H new ATOM 0 HB3 CYS A 72 -1.471 16.491 -7.631 1.00 15.44 H new ATOM 1126 N THR A 73 -2.848 16.324 -5.187 1.00 61.13 N ATOM 1127 CA THR A 73 -3.935 16.953 -4.449 1.00 22.22 C ATOM 1128 C THR A 73 -5.165 17.138 -5.329 1.00 44.15 C ATOM 1129 O THR A 73 -5.049 17.394 -6.527 1.00 61.12 O ATOM 1130 CB THR A 73 -3.513 18.322 -3.882 1.00 35.12 C ATOM 1131 OG1 THR A 73 -2.476 18.887 -4.692 1.00 31.14 O ATOM 1132 CG2 THR A 73 -3.026 18.188 -2.448 1.00 55.11 C ATOM 0 H THR A 73 -1.960 16.824 -5.137 1.00 61.13 H new ATOM 0 HA THR A 73 -4.181 16.286 -3.623 1.00 22.22 H new ATOM 0 HB THR A 73 -4.383 18.979 -3.893 1.00 35.12 H new ATOM 0 HG1 THR A 73 -2.214 19.758 -4.327 1.00 31.14 H new ATOM 0 HG21 THR A 73 -2.734 19.168 -2.070 1.00 55.11 H new ATOM 0 HG22 THR A 73 -3.826 17.784 -1.828 1.00 55.11 H new ATOM 0 HG23 THR A 73 -2.168 17.516 -2.416 1.00 55.11 H new ATOM 1140 N SER A 74 -6.344 17.005 -4.729 1.00 30.10 N ATOM 1141 CA SER A 74 -7.595 17.154 -5.462 1.00 62.43 C ATOM 1142 C SER A 74 -7.647 18.499 -6.181 1.00 35.40 C ATOM 1143 O SER A 74 -7.018 19.468 -5.756 1.00 60.23 O ATOM 1144 CB SER A 74 -8.786 17.028 -4.510 1.00 23.42 C ATOM 1145 OG SER A 74 -10.014 17.120 -5.212 1.00 21.12 O ATOM 0 H SER A 74 -6.458 16.794 -3.738 1.00 30.10 H new ATOM 0 HA SER A 74 -7.647 16.360 -6.207 1.00 62.43 H new ATOM 0 HB2 SER A 74 -8.735 16.075 -3.984 1.00 23.42 H new ATOM 0 HB3 SER A 74 -8.736 17.812 -3.755 1.00 23.42 H new ATOM 0 HG SER A 74 -10.759 17.035 -4.581 1.00 21.12 H new ATOM 1151 N VAL A 75 -8.402 18.551 -7.274 1.00 55.43 N ATOM 1152 CA VAL A 75 -8.536 19.775 -8.053 1.00 11.13 C ATOM 1153 C VAL A 75 -9.409 20.794 -7.328 1.00 25.41 C ATOM 1154 O VAL A 75 -9.291 21.998 -7.553 1.00 24.22 O ATOM 1155 CB VAL A 75 -9.143 19.493 -9.441 1.00 13.53 C ATOM 1156 CG1 VAL A 75 -10.521 18.862 -9.305 1.00 14.01 C ATOM 1157 CG2 VAL A 75 -9.213 20.772 -10.261 1.00 0.01 C ATOM 0 H VAL A 75 -8.930 17.759 -7.640 1.00 55.43 H new ATOM 0 HA VAL A 75 -7.533 20.182 -8.178 1.00 11.13 H new ATOM 0 HB VAL A 75 -8.497 18.787 -9.963 1.00 13.53 H new ATOM 0 HG11 VAL A 75 -10.933 18.671 -10.296 1.00 14.01 H new ATOM 0 HG12 VAL A 75 -10.439 17.923 -8.758 1.00 14.01 H new ATOM 0 HG13 VAL A 75 -11.180 19.540 -8.763 1.00 14.01 H new ATOM 0 HG21 VAL A 75 -9.644 20.555 -11.238 1.00 0.01 H new ATOM 0 HG22 VAL A 75 -9.836 21.502 -9.744 1.00 0.01 H new ATOM 0 HG23 VAL A 75 -8.209 21.177 -10.389 1.00 0.01 H new ATOM 1167 N MET A 76 -10.284 20.303 -6.456 1.00 43.31 N ATOM 1168 CA MET A 76 -11.174 21.171 -5.695 1.00 43.13 C ATOM 1169 C MET A 76 -10.974 20.976 -4.195 1.00 51.03 C ATOM 1170 O MET A 76 -11.939 20.937 -3.431 1.00 70.34 O ATOM 1171 CB MET A 76 -12.631 20.895 -6.068 1.00 71.42 C ATOM 1172 CG MET A 76 -13.008 21.389 -7.456 1.00 32.35 C ATOM 1173 SD MET A 76 -14.743 21.093 -7.851 1.00 71.52 S ATOM 1174 CE MET A 76 -15.486 22.620 -7.279 1.00 75.53 C ATOM 0 H MET A 76 -10.395 19.308 -6.259 1.00 43.31 H new ATOM 0 HA MET A 76 -10.933 22.205 -5.943 1.00 43.13 H new ATOM 0 HB2 MET A 76 -12.815 19.822 -6.011 1.00 71.42 H new ATOM 0 HB3 MET A 76 -13.282 21.370 -5.333 1.00 71.42 H new ATOM 0 HG2 MET A 76 -12.800 22.457 -7.526 1.00 32.35 H new ATOM 0 HG3 MET A 76 -12.381 20.893 -8.197 1.00 32.35 H new ATOM 0 HE1 MET A 76 -16.561 22.590 -7.455 1.00 75.53 H new ATOM 0 HE2 MET A 76 -15.296 22.740 -6.212 1.00 75.53 H new ATOM 0 HE3 MET A 76 -15.053 23.461 -7.821 1.00 75.53 H new TER 1184 MET A 76