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 7 GLN : amide:sc= -0.131 K(o=0.12,f=-5!) USER MOD Set 1.2: A 66 ASN : amide:sc= -0.106 K(o=0.12,f=-12!) USER MOD Set 1.3: A 70 THR OG1 : rot -170:sc= 0.356 USER MOD Set 2.1: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 29 THR OG1 : rot -27:sc= 0.765 USER MOD Set 3.2: A 30 SER OG : rot 76:sc= 0.336 USER MOD Set 3.3: A 33 GLN : amide:sc= 1.11 K(o=2.2,f=-3.6!) USER MOD Set 4.1: A 10 TYR OH : rot -6:sc= 1.73 USER MOD Set 4.2: A 12 TYR OH : rot 180:sc= 0.758 USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.00705 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0428 USER MOD Single : A 4 SER OG : rot 14:sc= 0.235 USER MOD Single : A 11 ASN : amide:sc= -0.983 K(o=-0.98,f=-3.1!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -2.63! F(o=-3.2,f=-2.6!) 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= 0.0686 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 45 HIS : no HD1:sc= -0.73 K(o=-0.73,f=-1.4) USER MOD Single : A 53 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= -0.458 K(o=-0.46,f=-4.4!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0538 USER MOD Single : A 74 SER OG : rot -117:sc= 0.0568 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.556 -0.729 -0.720 1.00 62.14 N ATOM 2 CA GLY A 1 2.487 0.194 -0.387 1.00 72.30 C ATOM 3 C GLY A 1 2.017 0.995 -1.585 1.00 22.14 C ATOM 4 O GLY A 1 2.820 1.397 -2.427 1.00 61.32 O ATOM 0 H1 GLY A 1 4.324 -0.637 -0.024 1.00 62.14 H new ATOM 0 H2 GLY A 1 3.191 -1.703 -0.706 1.00 62.14 H new ATOM 0 H3 GLY A 1 3.921 -0.510 -1.669 1.00 62.14 H new ATOM 0 HA2 GLY A 1 1.646 -0.363 0.026 1.00 72.30 H new ATOM 0 HA3 GLY A 1 2.830 0.877 0.390 1.00 72.30 H new ATOM 10 N THR A 2 0.710 1.226 -1.664 1.00 31.43 N ATOM 11 CA THR A 2 0.134 1.981 -2.769 1.00 21.31 C ATOM 12 C THR A 2 -0.027 3.452 -2.406 1.00 71.43 C ATOM 13 O THR A 2 -0.054 3.829 -1.234 1.00 32.13 O ATOM 14 CB THR A 2 -1.238 1.413 -3.182 1.00 31.02 C ATOM 15 OG1 THR A 2 -1.896 0.845 -2.045 1.00 74.52 O ATOM 16 CG2 THR A 2 -1.082 0.355 -4.265 1.00 63.13 C ATOM 0 H THR A 2 0.031 0.901 -0.976 1.00 31.43 H new ATOM 0 HA THR A 2 0.825 1.890 -3.607 1.00 21.31 H new ATOM 0 HB THR A 2 -1.840 2.231 -3.578 1.00 31.02 H new ATOM 0 HG1 THR A 2 -2.768 0.488 -2.316 1.00 74.52 H new ATOM 0 HG21 THR A 2 -2.063 -0.031 -4.540 1.00 63.13 H new ATOM 0 HG22 THR A 2 -0.608 0.798 -5.141 1.00 63.13 H new ATOM 0 HG23 THR A 2 -0.463 -0.460 -3.891 1.00 63.13 H new ATOM 24 N PRO A 3 -0.138 4.308 -3.433 1.00 22.24 N ATOM 25 CA PRO A 3 -0.298 5.753 -3.246 1.00 51.53 C ATOM 26 C PRO A 3 -1.665 6.115 -2.671 1.00 21.02 C ATOM 27 O PRO A 3 -2.674 5.500 -3.013 1.00 25.42 O ATOM 28 CB PRO A 3 -0.151 6.313 -4.663 1.00 52.33 C ATOM 29 CG PRO A 3 -0.544 5.189 -5.558 1.00 61.01 C ATOM 30 CD PRO A 3 -0.114 3.930 -4.857 1.00 71.24 C ATOM 0 HA PRO A 3 0.426 6.154 -2.537 1.00 51.53 H new ATOM 0 HB2 PRO A 3 -0.792 7.182 -4.814 1.00 52.33 H new ATOM 0 HB3 PRO A 3 0.872 6.634 -4.857 1.00 52.33 H new ATOM 0 HG2 PRO A 3 -1.620 5.189 -5.735 1.00 61.01 H new ATOM 0 HG3 PRO A 3 -0.061 5.278 -6.531 1.00 61.01 H new ATOM 0 HD2 PRO A 3 -0.792 3.103 -5.065 1.00 71.24 H new ATOM 0 HD3 PRO A 3 0.880 3.614 -5.172 1.00 71.24 H new ATOM 38 N SER A 4 -1.686 7.115 -1.797 1.00 53.30 N ATOM 39 CA SER A 4 -2.927 7.556 -1.171 1.00 1.23 C ATOM 40 C SER A 4 -2.883 9.050 -0.871 1.00 70.21 C ATOM 41 O SER A 4 -1.856 9.702 -1.057 1.00 72.45 O ATOM 42 CB SER A 4 -3.181 6.771 0.118 1.00 45.22 C ATOM 43 OG SER A 4 -3.653 5.465 -0.164 1.00 21.10 O ATOM 0 H SER A 4 -0.858 7.635 -1.506 1.00 53.30 H new ATOM 0 HA SER A 4 -3.743 7.368 -1.868 1.00 1.23 H new ATOM 0 HB2 SER A 4 -2.260 6.711 0.698 1.00 45.22 H new ATOM 0 HB3 SER A 4 -3.910 7.300 0.732 1.00 45.22 H new ATOM 0 HG SER A 4 -3.513 5.264 -1.113 1.00 21.10 H new ATOM 49 N ALA A 5 -4.006 9.588 -0.404 1.00 44.51 N ATOM 50 CA ALA A 5 -4.097 11.005 -0.075 1.00 71.53 C ATOM 51 C ALA A 5 -3.041 11.399 0.953 1.00 64.50 C ATOM 52 O ALA A 5 -2.653 12.562 1.044 1.00 75.23 O ATOM 53 CB ALA A 5 -5.488 11.340 0.441 1.00 50.33 C ATOM 0 H ALA A 5 -4.866 9.063 -0.245 1.00 44.51 H new ATOM 0 HA ALA A 5 -3.912 11.576 -0.985 1.00 71.53 H new ATOM 0 HB1 ALA A 5 -5.541 12.402 0.683 1.00 50.33 H new ATOM 0 HB2 ALA A 5 -6.227 11.105 -0.325 1.00 50.33 H new ATOM 0 HB3 ALA A 5 -5.695 10.754 1.336 1.00 50.33 H new ATOM 59 N ASP A 6 -2.581 10.419 1.725 1.00 73.12 N ATOM 60 CA ASP A 6 -1.569 10.663 2.746 1.00 73.34 C ATOM 61 C ASP A 6 -0.217 10.970 2.111 1.00 50.31 C ATOM 62 O ASP A 6 0.622 11.644 2.708 1.00 61.44 O ATOM 63 CB ASP A 6 -1.448 9.453 3.674 1.00 32.21 C ATOM 64 CG ASP A 6 -0.827 9.809 5.012 1.00 10.24 C ATOM 65 OD1 ASP A 6 -1.485 10.521 5.799 1.00 72.44 O ATOM 66 OD2 ASP A 6 0.315 9.374 5.270 1.00 60.32 O1- ATOM 0 H ASP A 6 -2.893 9.450 1.663 1.00 73.12 H new ATOM 0 HA ASP A 6 -1.880 11.529 3.330 1.00 73.34 H new ATOM 0 HB2 ASP A 6 -2.437 9.024 3.838 1.00 32.21 H new ATOM 0 HB3 ASP A 6 -0.844 8.686 3.189 1.00 32.21 H new ATOM 71 N GLN A 7 -0.012 10.466 0.896 1.00 61.34 N ATOM 72 CA GLN A 7 1.240 10.685 0.182 1.00 33.32 C ATOM 73 C GLN A 7 1.316 12.109 -0.362 1.00 30.12 C ATOM 74 O GLN A 7 2.402 12.661 -0.536 1.00 65.14 O ATOM 75 CB GLN A 7 1.378 9.682 -0.965 1.00 3.44 C ATOM 76 CG GLN A 7 1.916 8.330 -0.527 1.00 3.33 C ATOM 77 CD GLN A 7 2.644 7.604 -1.641 1.00 3.22 C ATOM 78 OE1 GLN A 7 2.240 7.659 -2.804 1.00 64.11 O ATOM 79 NE2 GLN A 7 3.725 6.916 -1.292 1.00 43.14 N ATOM 0 H GLN A 7 -0.696 9.905 0.388 1.00 61.34 H new ATOM 0 HA GLN A 7 2.060 10.540 0.885 1.00 33.32 H new ATOM 0 HB2 GLN A 7 0.404 9.542 -1.434 1.00 3.44 H new ATOM 0 HB3 GLN A 7 2.040 10.099 -1.724 1.00 3.44 H new ATOM 0 HG2 GLN A 7 2.594 8.468 0.315 1.00 3.33 H new ATOM 0 HG3 GLN A 7 1.091 7.712 -0.174 1.00 3.33 H new ATOM 0 HE21 GLN A 7 4.025 6.897 -0.317 1.00 43.14 H new ATOM 0 HE22 GLN A 7 4.255 6.407 -1.999 1.00 43.14 H new ATOM 88 N VAL A 8 0.154 12.698 -0.626 1.00 11.23 N ATOM 89 CA VAL A 8 0.088 14.058 -1.148 1.00 70.32 C ATOM 90 C VAL A 8 -0.118 15.069 -0.025 1.00 51.41 C ATOM 91 O VAL A 8 -0.631 16.164 -0.249 1.00 2.43 O ATOM 92 CB VAL A 8 -1.050 14.210 -2.176 1.00 23.21 C ATOM 93 CG1 VAL A 8 -0.762 13.383 -3.419 1.00 70.42 C ATOM 94 CG2 VAL A 8 -2.381 13.813 -1.558 1.00 21.21 C ATOM 0 H VAL A 8 -0.754 12.255 -0.487 1.00 11.23 H new ATOM 0 HA VAL A 8 1.041 14.255 -1.640 1.00 70.32 H new ATOM 0 HB VAL A 8 -1.111 15.257 -2.473 1.00 23.21 H new ATOM 0 HG11 VAL A 8 -1.577 13.503 -4.133 1.00 70.42 H new ATOM 0 HG12 VAL A 8 0.170 13.720 -3.872 1.00 70.42 H new ATOM 0 HG13 VAL A 8 -0.673 12.332 -3.144 1.00 70.42 H new ATOM 0 HG21 VAL A 8 -3.174 13.926 -2.297 1.00 21.21 H new ATOM 0 HG22 VAL A 8 -2.335 12.774 -1.232 1.00 21.21 H new ATOM 0 HG23 VAL A 8 -2.590 14.454 -0.701 1.00 21.21 H new ATOM 104 N ARG A 9 0.289 14.692 1.183 1.00 23.24 N ATOM 105 CA ARG A 9 0.149 15.566 2.342 1.00 13.23 C ATOM 106 C ARG A 9 1.185 16.686 2.307 1.00 52.15 C ATOM 107 O ARG A 9 1.988 16.773 1.378 1.00 24.40 O ATOM 108 CB ARG A 9 0.296 14.761 3.635 1.00 64.10 C ATOM 109 CG ARG A 9 -0.974 14.037 4.048 1.00 33.12 C ATOM 110 CD ARG A 9 -1.960 14.980 4.719 1.00 30.54 C ATOM 111 NE ARG A 9 -3.342 14.531 4.561 1.00 63.31 N ATOM 112 CZ ARG A 9 -4.396 15.314 4.759 1.00 44.51 C ATOM 113 NH1 ARG A 9 -4.228 16.579 5.119 1.00 13.12 N1+ ATOM 114 NH2 ARG A 9 -5.622 14.834 4.595 1.00 52.12 N ATOM 0 H ARG A 9 0.718 13.789 1.384 1.00 23.24 H new ATOM 0 HA ARG A 9 -0.845 16.013 2.311 1.00 13.23 H new ATOM 0 HB2 ARG A 9 1.096 14.031 3.510 1.00 64.10 H new ATOM 0 HB3 ARG A 9 0.599 15.432 4.439 1.00 64.10 H new ATOM 0 HG2 ARG A 9 -1.439 13.587 3.171 1.00 33.12 H new ATOM 0 HG3 ARG A 9 -0.725 13.224 4.730 1.00 33.12 H new ATOM 0 HD2 ARG A 9 -1.723 15.057 5.780 1.00 30.54 H new ATOM 0 HD3 ARG A 9 -1.853 15.978 4.295 1.00 30.54 H new ATOM 0 HE ARG A 9 -3.506 13.563 4.283 1.00 63.31 H new ATOM 0 HH11 ARG A 9 -3.287 16.953 5.244 1.00 13.12 H new ATOM 0 HH12 ARG A 9 -5.039 17.178 5.270 1.00 13.12 H new ATOM 0 HH21 ARG A 9 -5.756 13.862 4.316 1.00 52.12 H new ATOM 0 HH22 ARG A 9 -6.430 15.437 4.748 1.00 52.12 H new ATOM 128 N TYR A 10 1.160 17.540 3.323 1.00 14.33 N ATOM 129 CA TYR A 10 2.095 18.655 3.409 1.00 71.55 C ATOM 130 C TYR A 10 2.497 18.921 4.856 1.00 52.43 C ATOM 131 O TYR A 10 1.798 18.524 5.789 1.00 74.35 O ATOM 132 CB TYR A 10 1.474 19.914 2.800 1.00 34.44 C ATOM 133 CG TYR A 10 0.395 20.534 3.659 1.00 40.24 C ATOM 134 CD1 TYR A 10 0.712 21.436 4.666 1.00 21.35 C ATOM 135 CD2 TYR A 10 -0.943 20.214 3.464 1.00 40.41 C ATOM 136 CE1 TYR A 10 -0.271 22.004 5.453 1.00 1.11 C ATOM 137 CE2 TYR A 10 -1.934 20.777 4.247 1.00 61.22 C ATOM 138 CZ TYR A 10 -1.591 21.672 5.240 1.00 2.14 C ATOM 139 OH TYR A 10 -2.575 22.234 6.021 1.00 11.10 O ATOM 0 H TYR A 10 0.502 17.482 4.100 1.00 14.33 H new ATOM 0 HA TYR A 10 2.990 18.390 2.847 1.00 71.55 H new ATOM 0 HB2 TYR A 10 2.259 20.651 2.630 1.00 34.44 H new ATOM 0 HB3 TYR A 10 1.053 19.666 1.825 1.00 34.44 H new ATOM 0 HD1 TYR A 10 1.746 21.698 4.837 1.00 21.35 H new ATOM 0 HD2 TYR A 10 -1.214 19.514 2.688 1.00 40.41 H new ATOM 0 HE1 TYR A 10 -0.006 22.705 6.231 1.00 1.11 H new ATOM 0 HE2 TYR A 10 -2.970 20.518 4.083 1.00 61.22 H new ATOM 0 HH TYR A 10 -2.163 22.768 6.732 1.00 11.10 H new ATOM 149 N ASN A 11 3.628 19.597 5.036 1.00 42.23 N ATOM 150 CA ASN A 11 4.124 19.916 6.368 1.00 42.31 C ATOM 151 C ASN A 11 4.231 21.427 6.561 1.00 20.03 C ATOM 152 O ASN A 11 4.588 22.156 5.636 1.00 44.41 O ATOM 153 CB ASN A 11 5.488 19.262 6.598 1.00 13.35 C ATOM 154 CG ASN A 11 6.618 20.042 5.956 1.00 32.15 C ATOM 155 OD1 ASN A 11 6.495 20.521 4.829 1.00 50.24 O ATOM 156 ND2 ASN A 11 7.728 20.174 6.674 1.00 62.24 N ATOM 0 H ASN A 11 4.217 19.934 4.275 1.00 42.23 H new ATOM 0 HA ASN A 11 3.414 19.524 7.097 1.00 42.31 H new ATOM 0 HB2 ASN A 11 5.671 19.177 7.669 1.00 13.35 H new ATOM 0 HB3 ASN A 11 5.475 18.249 6.196 1.00 13.35 H new ATOM 0 HD21 ASN A 11 8.522 20.689 6.295 1.00 62.24 H new ATOM 0 HD22 ASN A 11 7.786 19.760 7.604 1.00 62.24 H new ATOM 163 N TYR A 12 3.924 21.886 7.768 1.00 45.02 N ATOM 164 CA TYR A 12 3.985 23.309 8.083 1.00 72.31 C ATOM 165 C TYR A 12 5.424 23.751 8.330 1.00 31.24 C ATOM 166 O TYR A 12 6.067 23.311 9.284 1.00 51.10 O ATOM 167 CB TYR A 12 3.128 23.619 9.310 1.00 11.32 C ATOM 168 CG TYR A 12 1.641 23.603 9.029 1.00 4.11 C ATOM 169 CD1 TYR A 12 1.049 24.594 8.256 1.00 5.04 C ATOM 170 CD2 TYR A 12 0.830 22.595 9.535 1.00 12.20 C ATOM 171 CE1 TYR A 12 -0.309 24.583 7.999 1.00 33.01 C ATOM 172 CE2 TYR A 12 -0.528 22.574 9.281 1.00 33.51 C ATOM 173 CZ TYR A 12 -1.092 23.572 8.512 1.00 53.13 C ATOM 174 OH TYR A 12 -2.445 23.556 8.256 1.00 31.24 O ATOM 0 H TYR A 12 3.630 21.294 8.545 1.00 45.02 H new ATOM 0 HA TYR A 12 3.596 23.861 7.227 1.00 72.31 H new ATOM 0 HB2 TYR A 12 3.350 22.892 10.091 1.00 11.32 H new ATOM 0 HB3 TYR A 12 3.406 24.599 9.699 1.00 11.32 H new ATOM 0 HD1 TYR A 12 1.660 25.386 7.849 1.00 5.04 H new ATOM 0 HD2 TYR A 12 1.269 21.814 10.138 1.00 12.20 H new ATOM 0 HE1 TYR A 12 -0.754 25.363 7.399 1.00 33.01 H new ATOM 0 HE2 TYR A 12 -1.144 21.782 9.681 1.00 33.51 H new ATOM 0 HH TYR A 12 -2.851 22.776 8.689 1.00 31.24 H new ATOM 184 N THR A 13 5.926 24.627 7.463 1.00 52.44 N ATOM 185 CA THR A 13 7.287 25.129 7.586 1.00 21.44 C ATOM 186 C THR A 13 7.308 26.652 7.659 1.00 1.51 C ATOM 187 O THR A 13 6.299 27.307 7.400 1.00 61.40 O ATOM 188 CB THR A 13 8.164 24.670 6.405 1.00 0.51 C ATOM 189 OG1 THR A 13 7.808 25.395 5.222 1.00 12.51 O ATOM 190 CG2 THR A 13 8.005 23.178 6.160 1.00 33.31 C ATOM 0 H THR A 13 5.408 25.002 6.668 1.00 52.44 H new ATOM 0 HA THR A 13 7.692 24.719 8.511 1.00 21.44 H new ATOM 0 HB THR A 13 9.206 24.870 6.654 1.00 0.51 H new ATOM 0 HG1 THR A 13 8.370 25.100 4.476 1.00 12.51 H new ATOM 0 HG21 THR A 13 8.634 22.878 5.322 1.00 33.31 H new ATOM 0 HG22 THR A 13 8.304 22.629 7.053 1.00 33.31 H new ATOM 0 HG23 THR A 13 6.963 22.956 5.930 1.00 33.31 H new ATOM 198 N GLU A 14 8.462 27.207 8.009 1.00 33.12 N ATOM 199 CA GLU A 14 8.613 28.654 8.115 1.00 45.32 C ATOM 200 C GLU A 14 9.185 29.238 6.827 1.00 72.14 C ATOM 201 O GLU A 14 9.960 28.584 6.126 1.00 2.41 O ATOM 202 CB GLU A 14 9.519 29.010 9.294 1.00 43.44 C ATOM 203 CG GLU A 14 8.849 29.901 10.329 1.00 35.42 C ATOM 204 CD GLU A 14 9.825 30.428 11.363 1.00 64.44 C ATOM 205 OE1 GLU A 14 11.045 30.389 11.103 1.00 12.22 O ATOM 206 OE2 GLU A 14 9.366 30.882 12.433 1.00 31.43 O1- ATOM 0 H GLU A 14 9.307 26.678 8.224 1.00 33.12 H new ATOM 0 HA GLU A 14 7.625 29.084 8.282 1.00 45.32 H new ATOM 0 HB2 GLU A 14 9.850 28.091 9.778 1.00 43.44 H new ATOM 0 HB3 GLU A 14 10.411 29.511 8.918 1.00 43.44 H new ATOM 0 HG2 GLU A 14 8.370 30.741 9.825 1.00 35.42 H new ATOM 0 HG3 GLU A 14 8.061 29.340 10.831 1.00 35.42 H new ATOM 213 N LEU A 15 8.798 30.471 6.519 1.00 31.01 N ATOM 214 CA LEU A 15 9.273 31.143 5.314 1.00 75.52 C ATOM 215 C LEU A 15 10.090 32.382 5.667 1.00 52.53 C ATOM 216 O LEU A 15 9.979 32.937 6.760 1.00 52.44 O ATOM 217 CB LEU A 15 8.089 31.535 4.426 1.00 45.14 C ATOM 218 CG LEU A 15 7.539 30.436 3.517 1.00 61.13 C ATOM 219 CD1 LEU A 15 6.172 30.823 2.977 1.00 24.13 C ATOM 220 CD2 LEU A 15 8.506 30.155 2.375 1.00 34.00 C ATOM 0 H LEU A 15 8.157 31.026 7.086 1.00 31.01 H new ATOM 0 HA LEU A 15 9.915 30.450 4.770 1.00 75.52 H new ATOM 0 HB2 LEU A 15 7.281 31.887 5.067 1.00 45.14 H new ATOM 0 HB3 LEU A 15 8.391 32.377 3.803 1.00 45.14 H new ATOM 0 HG LEU A 15 7.429 29.526 4.106 1.00 61.13 H new ATOM 0 HD11 LEU A 15 5.797 30.028 2.332 1.00 24.13 H new ATOM 0 HD12 LEU A 15 5.482 30.973 3.807 1.00 24.13 H new ATOM 0 HD13 LEU A 15 6.255 31.746 2.404 1.00 24.13 H new ATOM 0 HD21 LEU A 15 8.098 29.370 1.738 1.00 34.00 H new ATOM 0 HD22 LEU A 15 8.648 31.062 1.787 1.00 34.00 H new ATOM 0 HD23 LEU A 15 9.464 29.832 2.781 1.00 34.00 H new ATOM 232 N PRO A 16 10.929 32.827 4.721 1.00 52.33 N ATOM 233 CA PRO A 16 11.780 34.007 4.908 1.00 73.22 C ATOM 234 C PRO A 16 10.975 35.302 4.943 1.00 42.24 C ATOM 235 O PRO A 16 11.516 36.372 5.218 1.00 30.55 O ATOM 236 CB PRO A 16 12.698 33.979 3.684 1.00 54.14 C ATOM 237 CG PRO A 16 11.929 33.234 2.650 1.00 53.42 C ATOM 238 CD PRO A 16 11.113 32.214 3.395 1.00 70.53 C ATOM 0 HA PRO A 16 12.314 33.979 5.858 1.00 73.22 H new ATOM 0 HB2 PRO A 16 12.940 34.987 3.347 1.00 54.14 H new ATOM 0 HB3 PRO A 16 13.642 33.483 3.909 1.00 54.14 H new ATOM 0 HG2 PRO A 16 11.287 33.907 2.081 1.00 53.42 H new ATOM 0 HG3 PRO A 16 12.599 32.753 1.937 1.00 53.42 H new ATOM 0 HD2 PRO A 16 10.159 32.026 2.903 1.00 70.53 H new ATOM 0 HD3 PRO A 16 11.631 31.257 3.463 1.00 70.53 H new ATOM 246 N ASN A 17 9.681 35.197 4.660 1.00 3.13 N ATOM 247 CA ASN A 17 8.802 36.360 4.658 1.00 21.43 C ATOM 248 C ASN A 17 8.082 36.501 5.997 1.00 30.55 C ATOM 249 O ASN A 17 7.307 37.433 6.202 1.00 12.42 O ATOM 250 CB ASN A 17 7.779 36.251 3.526 1.00 30.03 C ATOM 251 CG ASN A 17 7.404 34.813 3.222 1.00 50.24 C ATOM 252 OD1 ASN A 17 6.349 34.327 3.868 1.00 12.44 O flip ATOM 253 ND2 ASN A 17 8.054 34.147 2.416 1.00 24.23 N flip ATOM 0 H ASN A 17 9.218 34.318 4.429 1.00 3.13 H new ATOM 0 HA ASN A 17 9.416 37.247 4.500 1.00 21.43 H new ATOM 0 HB2 ASN A 17 6.882 36.808 3.796 1.00 30.03 H new ATOM 0 HB3 ASN A 17 8.185 36.716 2.627 1.00 30.03 H new ATOM 0 HD21 ASN A 17 8.857 34.561 1.943 1.00 24.23 H new ATOM 0 HD22 ASN A 17 7.789 33.181 2.221 1.00 24.23 H new ATOM 260 N GLY A 18 8.346 35.566 6.905 1.00 75.24 N ATOM 261 CA GLY A 18 7.717 35.604 8.213 1.00 63.13 C ATOM 262 C GLY A 18 6.547 34.647 8.321 1.00 23.55 C ATOM 263 O GLY A 18 6.206 34.196 9.413 1.00 61.41 O ATOM 0 H GLY A 18 8.984 34.783 6.758 1.00 75.24 H new ATOM 0 HA2 GLY A 18 8.456 35.357 8.975 1.00 63.13 H new ATOM 0 HA3 GLY A 18 7.373 36.618 8.418 1.00 63.13 H new ATOM 267 N GLU A 19 5.930 34.338 7.183 1.00 64.42 N ATOM 268 CA GLU A 19 4.790 33.429 7.157 1.00 70.10 C ATOM 269 C GLU A 19 5.250 31.976 7.185 1.00 45.33 C ATOM 270 O GLU A 19 6.449 31.693 7.202 1.00 50.13 O ATOM 271 CB GLU A 19 3.938 33.682 5.911 1.00 2.11 C ATOM 272 CG GLU A 19 3.585 35.145 5.702 1.00 53.05 C ATOM 273 CD GLU A 19 2.774 35.719 6.847 1.00 73.31 C ATOM 274 OE1 GLU A 19 1.868 35.017 7.342 1.00 52.10 O1- ATOM 275 OE2 GLU A 19 3.045 36.871 7.247 1.00 64.10 O ATOM 0 H GLU A 19 6.200 34.703 6.270 1.00 64.42 H new ATOM 0 HA GLU A 19 4.188 33.617 8.046 1.00 70.10 H new ATOM 0 HB2 GLU A 19 4.474 33.317 5.035 1.00 2.11 H new ATOM 0 HB3 GLU A 19 3.018 33.102 5.986 1.00 2.11 H new ATOM 0 HG2 GLU A 19 4.502 35.723 5.586 1.00 53.05 H new ATOM 0 HG3 GLU A 19 3.022 35.250 4.775 1.00 53.05 H new ATOM 282 N TYR A 20 4.292 31.056 7.190 1.00 61.53 N ATOM 283 CA TYR A 20 4.598 29.631 7.218 1.00 34.14 C ATOM 284 C TYR A 20 4.641 29.055 5.806 1.00 55.31 C ATOM 285 O TYR A 20 5.702 28.682 5.306 1.00 31.44 O ATOM 286 CB TYR A 20 3.561 28.882 8.057 1.00 60.13 C ATOM 287 CG TYR A 20 3.996 28.645 9.487 1.00 60.13 C ATOM 288 CD1 TYR A 20 3.765 29.600 10.469 1.00 0.13 C ATOM 289 CD2 TYR A 20 4.637 27.469 9.852 1.00 15.40 C ATOM 290 CE1 TYR A 20 4.161 29.388 11.776 1.00 4.43 C ATOM 291 CE2 TYR A 20 5.034 27.248 11.158 1.00 61.50 C ATOM 292 CZ TYR A 20 4.794 28.212 12.115 1.00 52.13 C ATOM 293 OH TYR A 20 5.189 27.996 13.415 1.00 70.22 O ATOM 0 H TYR A 20 3.295 31.272 7.175 1.00 61.53 H new ATOM 0 HA TYR A 20 5.581 29.505 7.671 1.00 34.14 H new ATOM 0 HB2 TYR A 20 2.629 29.448 8.058 1.00 60.13 H new ATOM 0 HB3 TYR A 20 3.350 27.922 7.586 1.00 60.13 H new ATOM 0 HD1 TYR A 20 3.268 30.522 10.207 1.00 0.13 H new ATOM 0 HD2 TYR A 20 4.829 26.714 9.104 1.00 15.40 H new ATOM 0 HE1 TYR A 20 3.975 30.141 12.528 1.00 4.43 H new ATOM 0 HE2 TYR A 20 5.529 26.326 11.427 1.00 61.50 H new ATOM 0 HH TYR A 20 5.619 27.118 13.485 1.00 70.22 H new ATOM 303 N CYS A 21 3.476 28.985 5.168 1.00 45.41 N ATOM 304 CA CYS A 21 3.377 28.454 3.814 1.00 22.34 C ATOM 305 C CYS A 21 1.955 28.592 3.279 1.00 21.40 C ATOM 306 O CYS A 21 0.988 28.579 4.042 1.00 34.13 O ATOM 307 CB CYS A 21 3.803 26.984 3.787 1.00 14.31 C ATOM 308 SG CYS A 21 2.602 25.848 4.551 1.00 72.04 S ATOM 0 H CYS A 21 2.588 29.289 5.568 1.00 45.41 H new ATOM 0 HA CYS A 21 4.045 29.031 3.175 1.00 22.34 H new ATOM 0 HB2 CYS A 21 3.965 26.683 2.752 1.00 14.31 H new ATOM 0 HB3 CYS A 21 4.759 26.884 4.301 1.00 14.31 H new ATOM 313 N TYR A 22 1.835 28.724 1.962 1.00 73.41 N ATOM 314 CA TYR A 22 0.531 28.867 1.325 1.00 25.14 C ATOM 315 C TYR A 22 -0.123 27.506 1.109 1.00 21.32 C ATOM 316 O TYR A 22 0.426 26.639 0.428 1.00 14.24 O ATOM 317 CB TYR A 22 0.672 29.596 -0.013 1.00 71.24 C ATOM 318 CG TYR A 22 0.763 31.099 0.122 1.00 53.20 C ATOM 319 CD1 TYR A 22 -0.131 31.799 0.920 1.00 71.22 C ATOM 320 CD2 TYR A 22 1.746 31.817 -0.550 1.00 33.03 C ATOM 321 CE1 TYR A 22 -0.051 33.173 1.047 1.00 43.51 C ATOM 322 CE2 TYR A 22 1.834 33.190 -0.429 1.00 75.54 C ATOM 323 CZ TYR A 22 0.933 33.863 0.370 1.00 12.31 C ATOM 324 OH TYR A 22 1.017 35.232 0.494 1.00 10.53 O ATOM 0 H TYR A 22 2.624 28.735 1.316 1.00 73.41 H new ATOM 0 HA TYR A 22 -0.106 29.454 1.987 1.00 25.14 H new ATOM 0 HB2 TYR A 22 1.563 29.231 -0.524 1.00 71.24 H new ATOM 0 HB3 TYR A 22 -0.181 29.347 -0.644 1.00 71.24 H new ATOM 0 HD1 TYR A 22 -0.902 31.261 1.451 1.00 71.22 H new ATOM 0 HD2 TYR A 22 2.452 31.293 -1.177 1.00 33.03 H new ATOM 0 HE1 TYR A 22 -0.754 33.703 1.672 1.00 43.51 H new ATOM 0 HE2 TYR A 22 2.604 33.734 -0.957 1.00 75.54 H new ATOM 0 HH TYR A 22 1.765 35.564 -0.046 1.00 10.53 H new ATOM 334 N THR A 23 -1.301 27.324 1.696 1.00 31.22 N ATOM 335 CA THR A 23 -2.032 26.069 1.571 1.00 12.23 C ATOM 336 C THR A 23 -2.121 25.627 0.114 1.00 3.11 C ATOM 337 O THR A 23 -1.918 26.414 -0.810 1.00 50.51 O ATOM 338 CB THR A 23 -3.455 26.186 2.147 1.00 70.34 C ATOM 339 OG1 THR A 23 -3.858 27.559 2.181 1.00 51.01 O ATOM 340 CG2 THR A 23 -3.520 25.599 3.550 1.00 42.22 C ATOM 0 H THR A 23 -1.770 28.030 2.263 1.00 31.22 H new ATOM 0 HA THR A 23 -1.478 25.324 2.142 1.00 12.23 H new ATOM 0 HB THR A 23 -4.132 25.625 1.503 1.00 70.34 H new ATOM 0 HG1 THR A 23 -4.765 27.625 2.547 1.00 51.01 H new ATOM 0 HG21 THR A 23 -4.535 25.693 3.937 1.00 42.22 H new ATOM 0 HG22 THR A 23 -3.240 24.546 3.517 1.00 42.22 H new ATOM 0 HG23 THR A 23 -2.832 26.137 4.202 1.00 42.22 H new ATOM 348 N PRO A 24 -2.432 24.340 -0.097 1.00 10.51 N ATOM 349 CA PRO A 24 -2.557 23.767 -1.441 1.00 1.33 C ATOM 350 C PRO A 24 -3.783 24.286 -2.182 1.00 0.42 C ATOM 351 O PRO A 24 -4.730 24.778 -1.566 1.00 21.20 O ATOM 352 CB PRO A 24 -2.689 22.265 -1.174 1.00 42.41 C ATOM 353 CG PRO A 24 -3.250 22.173 0.204 1.00 13.41 C ATOM 354 CD PRO A 24 -2.686 23.345 0.959 1.00 22.44 C ATOM 0 HA PRO A 24 -1.711 24.029 -2.076 1.00 1.33 H new ATOM 0 HB2 PRO A 24 -3.347 21.790 -1.902 1.00 42.41 H new ATOM 0 HB3 PRO A 24 -1.723 21.764 -1.243 1.00 42.41 H new ATOM 0 HG2 PRO A 24 -4.339 22.208 0.185 1.00 13.41 H new ATOM 0 HG3 PRO A 24 -2.970 21.232 0.678 1.00 13.41 H new ATOM 0 HD2 PRO A 24 -3.389 23.719 1.703 1.00 22.44 H new ATOM 0 HD3 PRO A 24 -1.771 23.079 1.489 1.00 22.44 H new ATOM 362 N ARG A 25 -3.760 24.174 -3.506 1.00 41.50 N ATOM 363 CA ARG A 25 -4.871 24.634 -4.331 1.00 11.30 C ATOM 364 C ARG A 25 -5.095 26.133 -4.154 1.00 42.24 C ATOM 365 O ARG A 25 -6.182 26.645 -4.421 1.00 30.50 O ATOM 366 CB ARG A 25 -6.149 23.871 -3.975 1.00 71.35 C ATOM 367 CG ARG A 25 -6.318 22.574 -4.748 1.00 24.20 C ATOM 368 CD ARG A 25 -5.520 21.442 -4.120 1.00 13.12 C ATOM 369 NE ARG A 25 -5.899 21.214 -2.727 1.00 61.42 N ATOM 370 CZ ARG A 25 -7.027 20.616 -2.361 1.00 63.21 C ATOM 371 NH1 ARG A 25 -7.885 20.191 -3.280 1.00 60.40 N1+ ATOM 372 NH2 ARG A 25 -7.301 20.443 -1.074 1.00 31.52 N ATOM 0 H ARG A 25 -2.985 23.769 -4.030 1.00 41.50 H new ATOM 0 HA ARG A 25 -4.620 24.442 -5.374 1.00 11.30 H new ATOM 0 HB2 ARG A 25 -6.145 23.650 -2.908 1.00 71.35 H new ATOM 0 HB3 ARG A 25 -7.010 24.512 -4.165 1.00 71.35 H new ATOM 0 HG2 ARG A 25 -7.373 22.303 -4.779 1.00 24.20 H new ATOM 0 HG3 ARG A 25 -5.996 22.719 -5.779 1.00 24.20 H new ATOM 0 HD2 ARG A 25 -5.675 20.528 -4.693 1.00 13.12 H new ATOM 0 HD3 ARG A 25 -4.456 21.675 -4.173 1.00 13.12 H new ATOM 0 HE ARG A 25 -5.262 21.531 -1.996 1.00 61.42 H new ATOM 0 HH11 ARG A 25 -7.679 20.323 -4.270 1.00 60.40 H new ATOM 0 HH12 ARG A 25 -8.751 19.732 -2.996 1.00 60.40 H new ATOM 0 HH21 ARG A 25 -6.645 20.769 -0.365 1.00 31.52 H new ATOM 0 HH22 ARG A 25 -8.168 19.984 -0.794 1.00 31.52 H new ATOM 386 N ARG A 26 -4.059 26.832 -3.702 1.00 23.54 N ATOM 387 CA ARG A 26 -4.143 28.271 -3.489 1.00 14.21 C ATOM 388 C ARG A 26 -3.260 29.021 -4.483 1.00 22.51 C ATOM 389 O ARG A 26 -2.194 28.541 -4.866 1.00 34.12 O ATOM 390 CB ARG A 26 -3.729 28.621 -2.057 1.00 32.13 C ATOM 391 CG ARG A 26 -4.694 29.564 -1.359 1.00 14.42 C ATOM 392 CD ARG A 26 -3.960 30.716 -0.688 1.00 12.23 C ATOM 393 NE ARG A 26 -4.881 31.668 -0.072 1.00 53.14 N ATOM 394 CZ ARG A 26 -5.590 31.404 1.020 1.00 71.13 C ATOM 395 NH1 ARG A 26 -5.483 30.223 1.615 1.00 44.20 N1+ ATOM 396 NH2 ARG A 26 -6.407 32.321 1.520 1.00 33.14 N ATOM 0 H ARG A 26 -3.152 26.425 -3.476 1.00 23.54 H new ATOM 0 HA ARG A 26 -5.177 28.576 -3.646 1.00 14.21 H new ATOM 0 HB2 ARG A 26 -3.648 27.702 -1.476 1.00 32.13 H new ATOM 0 HB3 ARG A 26 -2.738 29.076 -2.075 1.00 32.13 H new ATOM 0 HG2 ARG A 26 -5.407 29.958 -2.083 1.00 14.42 H new ATOM 0 HG3 ARG A 26 -5.268 29.013 -0.614 1.00 14.42 H new ATOM 0 HD2 ARG A 26 -3.285 30.322 0.071 1.00 12.23 H new ATOM 0 HD3 ARG A 26 -3.345 31.232 -1.425 1.00 12.23 H new ATOM 0 HE ARG A 26 -4.985 32.586 -0.504 1.00 53.14 H new ATOM 0 HH11 ARG A 26 -4.855 29.515 1.234 1.00 44.20 H new ATOM 0 HH12 ARG A 26 -6.029 30.023 2.453 1.00 44.20 H new ATOM 0 HH21 ARG A 26 -6.492 33.230 1.066 1.00 33.14 H new ATOM 0 HH22 ARG A 26 -6.951 32.117 2.358 1.00 33.14 H new ATOM 410 N ARG A 27 -3.713 30.201 -4.894 1.00 50.31 N ATOM 411 CA ARG A 27 -2.964 31.016 -5.845 1.00 40.43 C ATOM 412 C ARG A 27 -1.653 31.500 -5.232 1.00 64.30 C ATOM 413 O ARG A 27 -1.650 32.207 -4.225 1.00 33.14 O ATOM 414 CB ARG A 27 -3.804 32.216 -6.291 1.00 5.30 C ATOM 415 CG ARG A 27 -3.033 33.218 -7.135 1.00 61.13 C ATOM 416 CD ARG A 27 -3.957 34.259 -7.744 1.00 24.42 C ATOM 417 NE ARG A 27 -4.331 35.291 -6.780 1.00 40.41 N ATOM 418 CZ ARG A 27 -4.847 36.466 -7.124 1.00 44.13 C ATOM 419 NH1 ARG A 27 -5.051 36.756 -8.401 1.00 21.21 N1+ ATOM 420 NH2 ARG A 27 -5.161 37.354 -6.189 1.00 21.32 N ATOM 0 H ARG A 27 -4.593 30.614 -4.585 1.00 50.31 H new ATOM 0 HA ARG A 27 -2.733 30.398 -6.713 1.00 40.43 H new ATOM 0 HB2 ARG A 27 -4.661 31.857 -6.861 1.00 5.30 H new ATOM 0 HB3 ARG A 27 -4.196 32.722 -5.409 1.00 5.30 H new ATOM 0 HG2 ARG A 27 -2.282 33.712 -6.519 1.00 61.13 H new ATOM 0 HG3 ARG A 27 -2.500 32.694 -7.928 1.00 61.13 H new ATOM 0 HD2 ARG A 27 -3.466 34.723 -8.599 1.00 24.42 H new ATOM 0 HD3 ARG A 27 -4.856 33.770 -8.119 1.00 24.42 H new ATOM 0 HE ARG A 27 -4.188 35.099 -5.788 1.00 40.41 H new ATOM 0 HH11 ARG A 27 -4.812 36.076 -9.123 1.00 21.21 H new ATOM 0 HH12 ARG A 27 -5.447 37.659 -8.662 1.00 21.21 H new ATOM 0 HH21 ARG A 27 -5.006 37.135 -5.205 1.00 21.32 H new ATOM 0 HH22 ARG A 27 -5.557 38.256 -6.454 1.00 21.32 H new ATOM 434 N CYS A 28 -0.541 31.113 -5.848 1.00 43.33 N ATOM 435 CA CYS A 28 0.776 31.505 -5.365 1.00 31.31 C ATOM 436 C CYS A 28 1.617 32.096 -6.494 1.00 63.13 C ATOM 437 O CYS A 28 1.252 32.006 -7.666 1.00 50.44 O ATOM 438 CB CYS A 28 1.498 30.304 -4.751 1.00 52.41 C ATOM 439 SG CYS A 28 1.565 28.844 -5.839 1.00 5.44 S ATOM 0 H CYS A 28 -0.527 30.528 -6.683 1.00 43.33 H new ATOM 0 HA CYS A 28 0.640 32.268 -4.599 1.00 31.31 H new ATOM 0 HB2 CYS A 28 2.515 30.598 -4.492 1.00 52.41 H new ATOM 0 HB3 CYS A 28 0.999 30.029 -3.822 1.00 52.41 H new ATOM 444 N THR A 29 2.747 32.696 -6.132 1.00 73.01 N ATOM 445 CA THR A 29 3.639 33.301 -7.113 1.00 32.12 C ATOM 446 C THR A 29 4.990 32.596 -7.134 1.00 33.55 C ATOM 447 O THR A 29 5.693 32.612 -8.144 1.00 51.13 O ATOM 448 CB THR A 29 3.859 34.798 -6.825 1.00 20.25 C ATOM 449 OG1 THR A 29 4.650 34.959 -5.643 1.00 30.25 O ATOM 450 CG2 THR A 29 2.529 35.516 -6.651 1.00 44.55 C ATOM 0 H THR A 29 3.066 32.776 -5.166 1.00 73.01 H new ATOM 0 HA THR A 29 3.159 33.193 -8.086 1.00 32.12 H new ATOM 0 HB THR A 29 4.383 35.235 -7.675 1.00 20.25 H new ATOM 0 HG1 THR A 29 4.524 34.184 -5.057 1.00 30.25 H new ATOM 0 HG21 THR A 29 2.709 36.572 -6.448 1.00 44.55 H new ATOM 0 HG22 THR A 29 1.940 35.417 -7.563 1.00 44.55 H new ATOM 0 HG23 THR A 29 1.984 35.075 -5.817 1.00 44.55 H new ATOM 458 N SER A 30 5.347 31.976 -6.014 1.00 63.54 N ATOM 459 CA SER A 30 6.617 31.266 -5.905 1.00 12.44 C ATOM 460 C SER A 30 6.419 29.893 -5.271 1.00 32.23 C ATOM 461 O SER A 30 5.623 29.734 -4.345 1.00 42.24 O ATOM 462 CB SER A 30 7.612 32.083 -5.080 1.00 1.42 C ATOM 463 OG SER A 30 7.370 33.474 -5.219 1.00 24.25 O ATOM 0 H SER A 30 4.776 31.951 -5.169 1.00 63.54 H new ATOM 0 HA SER A 30 7.016 31.128 -6.910 1.00 12.44 H new ATOM 0 HB2 SER A 30 7.537 31.801 -4.030 1.00 1.42 H new ATOM 0 HB3 SER A 30 8.629 31.854 -5.399 1.00 1.42 H new ATOM 0 HG SER A 30 6.582 33.723 -4.692 1.00 24.25 H new ATOM 469 N ALA A 31 7.148 28.903 -5.774 1.00 62.45 N ATOM 470 CA ALA A 31 7.056 27.545 -5.256 1.00 32.30 C ATOM 471 C ALA A 31 7.489 27.484 -3.795 1.00 10.12 C ATOM 472 O ALA A 31 6.921 26.732 -3.001 1.00 65.45 O ATOM 473 CB ALA A 31 7.900 26.600 -6.098 1.00 44.20 C ATOM 0 H ALA A 31 7.810 29.017 -6.541 1.00 62.45 H new ATOM 0 HA ALA A 31 6.014 27.231 -5.312 1.00 32.30 H new ATOM 0 HB1 ALA A 31 7.822 25.589 -5.699 1.00 44.20 H new ATOM 0 HB2 ALA A 31 7.543 26.613 -7.128 1.00 44.20 H new ATOM 0 HB3 ALA A 31 8.941 26.921 -6.071 1.00 44.20 H new ATOM 479 N ASP A 32 8.494 28.277 -3.448 1.00 12.20 N ATOM 480 CA ASP A 32 9.002 28.313 -2.080 1.00 73.45 C ATOM 481 C ASP A 32 7.876 28.586 -1.089 1.00 71.20 C ATOM 482 O ASP A 32 7.861 28.038 0.013 1.00 64.22 O ATOM 483 CB ASP A 32 10.088 29.384 -1.946 1.00 74.03 C ATOM 484 CG ASP A 32 10.972 29.161 -0.734 1.00 11.45 C ATOM 485 OD1 ASP A 32 10.541 29.505 0.386 1.00 51.42 O1- ATOM 486 OD2 ASP A 32 12.094 28.643 -0.907 1.00 52.31 O ATOM 0 H ASP A 32 8.974 28.904 -4.093 1.00 12.20 H new ATOM 0 HA ASP A 32 9.433 27.338 -1.852 1.00 73.45 H new ATOM 0 HB2 ASP A 32 10.703 29.388 -2.846 1.00 74.03 H new ATOM 0 HB3 ASP A 32 9.620 30.366 -1.875 1.00 74.03 H new ATOM 491 N GLN A 33 6.936 29.437 -1.488 1.00 13.05 N ATOM 492 CA GLN A 33 5.806 29.783 -0.633 1.00 61.53 C ATOM 493 C GLN A 33 4.861 28.597 -0.473 1.00 21.20 C ATOM 494 O GLN A 33 4.329 28.355 0.610 1.00 62.33 O ATOM 495 CB GLN A 33 5.051 30.980 -1.210 1.00 1.33 C ATOM 496 CG GLN A 33 5.951 32.149 -1.577 1.00 24.41 C ATOM 497 CD GLN A 33 5.218 33.232 -2.343 1.00 55.02 C ATOM 498 OE1 GLN A 33 4.967 33.101 -3.541 1.00 20.05 O ATOM 499 NE2 GLN A 33 4.869 34.313 -1.654 1.00 41.24 N ATOM 0 H GLN A 33 6.934 29.899 -2.397 1.00 13.05 H new ATOM 0 HA GLN A 33 6.194 30.048 0.350 1.00 61.53 H new ATOM 0 HB2 GLN A 33 4.505 30.661 -2.097 1.00 1.33 H new ATOM 0 HB3 GLN A 33 4.311 31.316 -0.484 1.00 1.33 H new ATOM 0 HG2 GLN A 33 6.375 32.576 -0.668 1.00 24.41 H new ATOM 0 HG3 GLN A 33 6.785 31.786 -2.177 1.00 24.41 H new ATOM 0 HE21 GLN A 33 5.097 34.381 -0.662 1.00 41.24 H new ATOM 0 HE22 GLN A 33 4.373 35.075 -2.117 1.00 41.24 H new ATOM 508 N CYS A 34 4.653 27.863 -1.561 1.00 20.44 N ATOM 509 CA CYS A 34 3.771 26.702 -1.544 1.00 42.12 C ATOM 510 C CYS A 34 4.218 25.694 -0.489 1.00 14.23 C ATOM 511 O CYS A 34 5.382 25.295 -0.450 1.00 24.15 O ATOM 512 CB CYS A 34 3.742 26.037 -2.921 1.00 20.31 C ATOM 513 SG CYS A 34 2.919 24.411 -2.945 1.00 43.23 S ATOM 0 H CYS A 34 5.084 28.052 -2.466 1.00 20.44 H new ATOM 0 HA CYS A 34 2.767 27.044 -1.292 1.00 42.12 H new ATOM 0 HB2 CYS A 34 3.234 26.700 -3.622 1.00 20.31 H new ATOM 0 HB3 CYS A 34 4.765 25.920 -3.278 1.00 20.31 H new ATOM 518 N CYS A 35 3.285 25.287 0.365 1.00 63.44 N ATOM 519 CA CYS A 35 3.581 24.327 1.421 1.00 62.12 C ATOM 520 C CYS A 35 4.275 23.092 0.854 1.00 75.41 C ATOM 521 O CYS A 35 3.879 22.567 -0.186 1.00 52.33 O ATOM 522 CB CYS A 35 2.294 23.917 2.141 1.00 15.41 C ATOM 523 SG CYS A 35 1.461 25.283 3.011 1.00 54.35 S ATOM 0 H CYS A 35 2.317 25.608 0.346 1.00 63.44 H new ATOM 0 HA CYS A 35 4.253 24.804 2.134 1.00 62.12 H new ATOM 0 HB2 CYS A 35 1.604 23.489 1.414 1.00 15.41 H new ATOM 0 HB3 CYS A 35 2.527 23.131 2.860 1.00 15.41 H new ATOM 528 N ARG A 36 5.314 22.634 1.545 1.00 74.42 N ATOM 529 CA ARG A 36 6.064 21.463 1.111 1.00 31.31 C ATOM 530 C ARG A 36 5.360 20.178 1.537 1.00 11.50 C ATOM 531 O ARG A 36 4.525 20.169 2.442 1.00 64.44 O ATOM 532 CB ARG A 36 7.482 21.496 1.687 1.00 74.21 C ATOM 533 CG ARG A 36 8.480 22.228 0.806 1.00 33.43 C ATOM 534 CD ARG A 36 8.374 23.735 0.977 1.00 52.41 C ATOM 535 NE ARG A 36 9.661 24.400 0.783 1.00 64.13 N ATOM 536 CZ ARG A 36 9.935 25.617 1.238 1.00 24.21 C ATOM 537 NH1 ARG A 36 9.019 26.299 1.913 1.00 61.22 N1+ ATOM 538 NH2 ARG A 36 11.129 26.155 1.022 1.00 13.25 N ATOM 0 H ARG A 36 5.655 23.057 2.408 1.00 74.42 H new ATOM 0 HA ARG A 36 6.121 21.482 0.023 1.00 31.31 H new ATOM 0 HB2 ARG A 36 7.456 21.974 2.666 1.00 74.21 H new ATOM 0 HB3 ARG A 36 7.827 20.473 1.840 1.00 74.21 H new ATOM 0 HG2 ARG A 36 9.491 21.903 1.052 1.00 33.43 H new ATOM 0 HG3 ARG A 36 8.306 21.966 -0.238 1.00 33.43 H new ATOM 0 HD2 ARG A 36 7.650 24.131 0.264 1.00 52.41 H new ATOM 0 HD3 ARG A 36 7.996 23.961 1.974 1.00 52.41 H new ATOM 0 HE ARG A 36 10.388 23.902 0.270 1.00 64.13 H new ATOM 0 HH11 ARG A 36 8.101 25.889 2.084 1.00 61.22 H new ATOM 0 HH12 ARG A 36 9.233 27.234 2.261 1.00 61.22 H new ATOM 0 HH21 ARG A 36 11.838 25.633 0.506 1.00 13.25 H new ATOM 0 HH22 ARG A 36 11.338 27.090 1.372 1.00 13.25 H new ATOM 552 N PRO A 37 5.704 19.066 0.870 1.00 2.54 N ATOM 553 CA PRO A 37 5.117 17.754 1.162 1.00 73.11 C ATOM 554 C PRO A 37 5.571 17.203 2.509 1.00 25.00 C ATOM 555 O PRO A 37 6.663 17.515 2.983 1.00 22.30 O ATOM 556 CB PRO A 37 5.635 16.873 0.023 1.00 11.35 C ATOM 557 CG PRO A 37 6.898 17.526 -0.418 1.00 4.20 C ATOM 558 CD PRO A 37 6.691 19.003 -0.220 1.00 42.10 C ATOM 0 HA PRO A 37 4.030 17.799 1.225 1.00 73.11 H new ATOM 0 HB2 PRO A 37 5.815 15.853 0.362 1.00 11.35 H new ATOM 0 HB3 PRO A 37 4.914 16.816 -0.792 1.00 11.35 H new ATOM 0 HG2 PRO A 37 7.746 17.169 0.166 1.00 4.20 H new ATOM 0 HG3 PRO A 37 7.111 17.298 -1.462 1.00 4.20 H new ATOM 0 HD2 PRO A 37 7.620 19.506 0.049 1.00 42.10 H new ATOM 0 HD3 PRO A 37 6.320 19.482 -1.126 1.00 42.10 H new ATOM 566 N TYR A 38 4.723 16.383 3.123 1.00 62.25 N ATOM 567 CA TYR A 38 5.037 15.791 4.418 1.00 14.44 C ATOM 568 C TYR A 38 6.341 15.002 4.354 1.00 34.42 C ATOM 569 O TYR A 38 7.046 14.864 5.354 1.00 11.41 O ATOM 570 CB TYR A 38 3.898 14.878 4.874 1.00 22.13 C ATOM 571 CG TYR A 38 3.831 14.695 6.372 1.00 14.52 C ATOM 572 CD1 TYR A 38 4.782 13.936 7.043 1.00 30.11 C ATOM 573 CD2 TYR A 38 2.816 15.282 7.119 1.00 41.20 C ATOM 574 CE1 TYR A 38 4.725 13.767 8.413 1.00 14.55 C ATOM 575 CE2 TYR A 38 2.751 15.118 8.489 1.00 22.03 C ATOM 576 CZ TYR A 38 3.707 14.359 9.131 1.00 53.42 C ATOM 577 OH TYR A 38 3.646 14.194 10.496 1.00 22.44 O ATOM 0 H TYR A 38 3.815 16.114 2.745 1.00 62.25 H new ATOM 0 HA TYR A 38 5.157 16.599 5.139 1.00 14.44 H new ATOM 0 HB2 TYR A 38 2.951 15.290 4.524 1.00 22.13 H new ATOM 0 HB3 TYR A 38 4.015 13.902 4.402 1.00 22.13 H new ATOM 0 HD1 TYR A 38 5.580 13.470 6.484 1.00 30.11 H new ATOM 0 HD2 TYR A 38 2.065 15.877 6.620 1.00 41.20 H new ATOM 0 HE1 TYR A 38 5.473 13.175 8.919 1.00 14.55 H new ATOM 0 HE2 TYR A 38 1.956 15.582 9.054 1.00 22.03 H new ATOM 0 HH TYR A 38 2.870 14.676 10.849 1.00 22.44 H new ATOM 587 N ASP A 39 6.657 14.486 3.171 1.00 32.30 N ATOM 588 CA ASP A 39 7.876 13.711 2.975 1.00 33.55 C ATOM 589 C ASP A 39 8.542 14.074 1.651 1.00 15.11 C ATOM 590 O ASP A 39 8.162 13.569 0.594 1.00 13.04 O ATOM 591 CB ASP A 39 7.567 12.214 3.012 1.00 24.25 C ATOM 592 CG ASP A 39 8.815 11.370 3.172 1.00 54.15 C ATOM 593 OD1 ASP A 39 9.817 11.886 3.707 1.00 23.30 O1- ATOM 594 OD2 ASP A 39 8.791 10.191 2.760 1.00 4.51 O ATOM 0 H ASP A 39 6.085 14.591 2.333 1.00 32.30 H new ATOM 0 HA ASP A 39 8.564 13.951 3.786 1.00 33.55 H new ATOM 0 HB2 ASP A 39 6.884 12.007 3.836 1.00 24.25 H new ATOM 0 HB3 ASP A 39 7.054 11.929 2.093 1.00 24.25 H new ATOM 599 N THR A 40 9.538 14.951 1.715 1.00 42.33 N ATOM 600 CA THR A 40 10.256 15.383 0.523 1.00 51.22 C ATOM 601 C THR A 40 10.865 14.195 -0.213 1.00 5.24 C ATOM 602 O THR A 40 11.056 14.234 -1.429 1.00 55.42 O ATOM 603 CB THR A 40 11.374 16.384 0.871 1.00 52.44 C ATOM 604 OG1 THR A 40 11.973 16.033 2.122 1.00 3.03 O ATOM 605 CG2 THR A 40 10.827 17.801 0.944 1.00 32.04 C ATOM 0 H THR A 40 9.866 15.377 2.582 1.00 42.33 H new ATOM 0 HA THR A 40 9.528 15.873 -0.123 1.00 51.22 H new ATOM 0 HB THR A 40 12.127 16.343 0.084 1.00 52.44 H new ATOM 0 HG1 THR A 40 12.684 16.673 2.335 1.00 3.03 H new ATOM 0 HG21 THR A 40 11.634 18.490 1.191 1.00 32.04 H new ATOM 0 HG22 THR A 40 10.398 18.075 -0.020 1.00 32.04 H new ATOM 0 HG23 THR A 40 10.056 17.854 1.713 1.00 32.04 H new ATOM 613 N THR A 41 11.166 13.135 0.531 1.00 61.40 N ATOM 614 CA THR A 41 11.754 11.935 -0.050 1.00 21.31 C ATOM 615 C THR A 41 10.709 11.122 -0.805 1.00 74.10 C ATOM 616 O THR A 41 11.046 10.236 -1.590 1.00 32.32 O ATOM 617 CB THR A 41 12.397 11.044 1.030 1.00 11.20 C ATOM 618 OG1 THR A 41 11.384 10.494 1.880 1.00 50.03 O ATOM 619 CG2 THR A 41 13.389 11.840 1.865 1.00 40.10 C ATOM 0 H THR A 41 11.012 13.084 1.538 1.00 61.40 H new ATOM 0 HA THR A 41 12.526 12.266 -0.745 1.00 21.31 H new ATOM 0 HB THR A 41 12.930 10.234 0.532 1.00 11.20 H new ATOM 0 HG1 THR A 41 11.801 9.928 2.563 1.00 50.03 H new ATOM 0 HG21 THR A 41 13.831 11.191 2.621 1.00 40.10 H new ATOM 0 HG22 THR A 41 14.175 12.233 1.220 1.00 40.10 H new ATOM 0 HG23 THR A 41 12.873 12.667 2.353 1.00 40.10 H new ATOM 627 N ALA A 42 9.439 11.430 -0.565 1.00 33.42 N ATOM 628 CA ALA A 42 8.344 10.729 -1.226 1.00 33.24 C ATOM 629 C ALA A 42 7.352 11.713 -1.835 1.00 22.22 C ATOM 630 O ALA A 42 6.185 11.382 -2.045 1.00 41.33 O ATOM 631 CB ALA A 42 7.639 9.806 -0.242 1.00 72.43 C ATOM 0 H ALA A 42 9.142 12.160 0.082 1.00 33.42 H new ATOM 0 HA ALA A 42 8.763 10.129 -2.034 1.00 33.24 H new ATOM 0 HB1 ALA A 42 6.824 9.289 -0.748 1.00 72.43 H new ATOM 0 HB2 ALA A 42 8.349 9.074 0.143 1.00 72.43 H new ATOM 0 HB3 ALA A 42 7.239 10.393 0.585 1.00 72.43 H new ATOM 637 N ALA A 43 7.824 12.922 -2.119 1.00 12.24 N ATOM 638 CA ALA A 43 6.977 13.953 -2.706 1.00 72.33 C ATOM 639 C ALA A 43 7.769 15.231 -2.968 1.00 51.10 C ATOM 640 O ALA A 43 8.911 15.366 -2.530 1.00 33.12 O ATOM 641 CB ALA A 43 5.790 14.243 -1.799 1.00 43.44 C ATOM 0 H ALA A 43 8.788 13.212 -1.952 1.00 12.24 H new ATOM 0 HA ALA A 43 6.607 13.582 -3.662 1.00 72.33 H new ATOM 0 HB1 ALA A 43 5.167 15.015 -2.251 1.00 43.44 H new ATOM 0 HB2 ALA A 43 5.203 13.334 -1.666 1.00 43.44 H new ATOM 0 HB3 ALA A 43 6.149 14.588 -0.829 1.00 43.44 H new ATOM 647 N PHE A 44 7.154 16.166 -3.683 1.00 14.41 N ATOM 648 CA PHE A 44 7.802 17.432 -4.005 1.00 61.30 C ATOM 649 C PHE A 44 6.795 18.578 -3.994 1.00 33.54 C ATOM 650 O PHE A 44 5.585 18.355 -3.940 1.00 25.14 O ATOM 651 CB PHE A 44 8.483 17.349 -5.373 1.00 4.30 C ATOM 652 CG PHE A 44 7.554 16.934 -6.479 1.00 44.33 C ATOM 653 CD1 PHE A 44 7.245 15.598 -6.677 1.00 14.45 C ATOM 654 CD2 PHE A 44 6.992 17.881 -7.321 1.00 25.23 C ATOM 655 CE1 PHE A 44 6.392 15.213 -7.693 1.00 52.44 C ATOM 656 CE2 PHE A 44 6.137 17.500 -8.339 1.00 31.10 C ATOM 657 CZ PHE A 44 5.838 16.165 -8.527 1.00 44.43 C ATOM 0 H PHE A 44 6.207 16.071 -4.051 1.00 14.41 H new ATOM 0 HA PHE A 44 8.557 17.628 -3.243 1.00 61.30 H new ATOM 0 HB2 PHE A 44 8.913 18.321 -5.616 1.00 4.30 H new ATOM 0 HB3 PHE A 44 9.309 16.640 -5.317 1.00 4.30 H new ATOM 0 HD1 PHE A 44 7.676 14.849 -6.029 1.00 14.45 H new ATOM 0 HD2 PHE A 44 7.224 18.926 -7.181 1.00 25.23 H new ATOM 0 HE1 PHE A 44 6.158 14.168 -7.835 1.00 52.44 H new ATOM 0 HE2 PHE A 44 5.703 18.247 -8.987 1.00 31.10 H new ATOM 0 HZ PHE A 44 5.173 15.866 -9.324 1.00 44.43 H new ATOM 667 N HIS A 45 7.302 19.806 -4.045 1.00 30.01 N ATOM 668 CA HIS A 45 6.447 20.987 -4.041 1.00 13.52 C ATOM 669 C HIS A 45 6.661 21.816 -5.304 1.00 32.25 C ATOM 670 O HIS A 45 7.598 21.578 -6.064 1.00 34.05 O ATOM 671 CB HIS A 45 6.727 21.841 -2.803 1.00 41.02 C ATOM 672 CG HIS A 45 7.994 22.633 -2.896 1.00 44.22 C ATOM 673 ND1 HIS A 45 9.226 22.127 -2.538 1.00 74.21 N ATOM 674 CD2 HIS A 45 8.216 23.902 -3.312 1.00 33.33 C ATOM 675 CE1 HIS A 45 10.150 23.052 -2.727 1.00 71.35 C ATOM 676 NE2 HIS A 45 9.563 24.138 -3.196 1.00 4.31 N ATOM 0 H HIS A 45 8.301 20.009 -4.090 1.00 30.01 H new ATOM 0 HA HIS A 45 5.409 20.654 -4.017 1.00 13.52 H new ATOM 0 HB2 HIS A 45 5.892 22.524 -2.646 1.00 41.02 H new ATOM 0 HB3 HIS A 45 6.777 21.193 -1.928 1.00 41.02 H new ATOM 0 HD2 HIS A 45 7.472 24.599 -3.669 1.00 33.33 H new ATOM 0 HE1 HIS A 45 11.206 22.939 -2.531 1.00 71.35 H new ATOM 0 HE2 HIS A 45 10.034 25.011 -3.434 1.00 4.31 H new ATOM 684 N GLY A 46 5.783 22.790 -5.520 1.00 15.53 N ATOM 685 CA GLY A 46 5.892 23.640 -6.694 1.00 51.15 C ATOM 686 C GLY A 46 4.614 24.402 -6.978 1.00 30.33 C ATOM 687 O GLY A 46 3.531 23.996 -6.552 1.00 1.11 O ATOM 0 H GLY A 46 4.999 23.007 -4.905 1.00 15.53 H new ATOM 0 HA2 GLY A 46 6.709 24.347 -6.552 1.00 51.15 H new ATOM 0 HA3 GLY A 46 6.147 23.028 -7.559 1.00 51.15 H new ATOM 691 N CYS A 47 4.735 25.511 -7.701 1.00 73.31 N ATOM 692 CA CYS A 47 3.581 26.333 -8.042 1.00 12.40 C ATOM 693 C CYS A 47 3.255 26.224 -9.529 1.00 61.22 C ATOM 694 O CYS A 47 4.085 26.536 -10.381 1.00 61.52 O ATOM 695 CB CYS A 47 3.842 27.794 -7.671 1.00 0.44 C ATOM 696 SG CYS A 47 3.451 28.203 -5.939 1.00 52.01 S ATOM 0 H CYS A 47 5.622 25.861 -8.062 1.00 73.31 H new ATOM 0 HA CYS A 47 2.726 25.968 -7.473 1.00 12.40 H new ATOM 0 HB2 CYS A 47 4.891 28.024 -7.859 1.00 0.44 H new ATOM 0 HB3 CYS A 47 3.252 28.435 -8.326 1.00 0.44 H new ATOM 701 N GLY A 48 2.038 25.782 -9.832 1.00 51.40 N ATOM 702 CA GLY A 48 1.624 25.640 -11.215 1.00 22.12 C ATOM 703 C GLY A 48 0.170 25.237 -11.347 1.00 74.05 C ATOM 704 O GLY A 48 -0.626 25.448 -10.430 1.00 74.34 O ATOM 0 H GLY A 48 1.332 25.520 -9.144 1.00 51.40 H new ATOM 0 HA2 GLY A 48 1.785 26.583 -11.738 1.00 22.12 H new ATOM 0 HA3 GLY A 48 2.250 24.894 -11.704 1.00 22.12 H new ATOM 708 N ARG A 49 -0.181 24.653 -12.487 1.00 34.44 N ATOM 709 CA ARG A 49 -1.551 24.221 -12.736 1.00 43.42 C ATOM 710 C ARG A 49 -1.588 22.764 -13.187 1.00 72.42 C ATOM 711 O ARG A 49 -1.467 22.469 -14.377 1.00 32.25 O ATOM 712 CB ARG A 49 -2.205 25.110 -13.795 1.00 63.11 C ATOM 713 CG ARG A 49 -2.171 26.591 -13.453 1.00 51.12 C ATOM 714 CD ARG A 49 -2.175 27.452 -14.706 1.00 22.53 C ATOM 715 NE ARG A 49 -1.381 28.667 -14.539 1.00 64.14 N ATOM 716 CZ ARG A 49 -0.927 29.393 -15.554 1.00 64.40 C ATOM 717 NH1 ARG A 49 -1.187 29.030 -16.802 1.00 71.52 N1+ ATOM 718 NH2 ARG A 49 -0.210 30.485 -15.321 1.00 63.11 N ATOM 0 H ARG A 49 0.465 24.468 -13.254 1.00 34.44 H new ATOM 0 HA ARG A 49 -2.108 24.309 -11.803 1.00 43.42 H new ATOM 0 HB2 ARG A 49 -1.701 24.954 -14.749 1.00 63.11 H new ATOM 0 HB3 ARG A 49 -3.242 24.800 -13.928 1.00 63.11 H new ATOM 0 HG2 ARG A 49 -3.033 26.843 -12.835 1.00 51.12 H new ATOM 0 HG3 ARG A 49 -1.281 26.809 -12.863 1.00 51.12 H new ATOM 0 HD2 ARG A 49 -1.783 26.875 -15.543 1.00 22.53 H new ATOM 0 HD3 ARG A 49 -3.201 27.721 -14.957 1.00 22.53 H new ATOM 0 HE ARG A 49 -1.164 28.974 -13.591 1.00 64.14 H new ATOM 0 HH11 ARG A 49 -1.737 28.191 -16.985 1.00 71.52 H new ATOM 0 HH12 ARG A 49 -0.837 29.590 -17.579 1.00 71.52 H new ATOM 0 HH21 ARG A 49 -0.007 30.767 -14.362 1.00 63.11 H new ATOM 0 HH22 ARG A 49 0.139 31.042 -16.101 1.00 63.11 H new ATOM 732 N ILE A 50 -1.757 21.858 -12.230 1.00 45.20 N ATOM 733 CA ILE A 50 -1.810 20.432 -12.530 1.00 24.22 C ATOM 734 C ILE A 50 -3.249 19.959 -12.697 1.00 32.02 C ATOM 735 O ILE A 50 -3.539 18.768 -12.589 1.00 4.22 O ATOM 736 CB ILE A 50 -1.134 19.599 -11.423 1.00 43.24 C ATOM 737 CG1 ILE A 50 -1.744 19.931 -10.060 1.00 33.24 C ATOM 738 CG2 ILE A 50 0.367 19.851 -11.414 1.00 11.30 C ATOM 739 CD1 ILE A 50 -1.646 18.797 -9.063 1.00 33.13 C ATOM 0 H ILE A 50 -1.860 22.085 -11.241 1.00 45.20 H new ATOM 0 HA ILE A 50 -1.271 20.286 -13.466 1.00 24.22 H new ATOM 0 HB ILE A 50 -1.305 18.542 -11.628 1.00 43.24 H new ATOM 0 HG12 ILE A 50 -1.243 20.808 -9.651 1.00 33.24 H new ATOM 0 HG13 ILE A 50 -2.793 20.196 -10.195 1.00 33.24 H new ATOM 0 HG21 ILE A 50 0.831 19.256 -10.627 1.00 11.30 H new ATOM 0 HG22 ILE A 50 0.789 19.569 -12.379 1.00 11.30 H new ATOM 0 HG23 ILE A 50 0.557 20.908 -11.230 1.00 11.30 H new ATOM 0 HD11 ILE A 50 -2.098 19.102 -8.119 1.00 33.13 H new ATOM 0 HD12 ILE A 50 -2.171 17.924 -9.452 1.00 33.13 H new ATOM 0 HD13 ILE A 50 -0.598 18.546 -8.899 1.00 33.13 H new ATOM 751 N TRP A 51 -4.148 20.900 -12.965 1.00 65.10 N ATOM 752 CA TRP A 51 -5.558 20.580 -13.151 1.00 64.31 C ATOM 753 C TRP A 51 -6.189 21.487 -14.202 1.00 21.13 C ATOM 754 O TRP A 51 -5.718 22.593 -14.465 1.00 63.40 O ATOM 755 CB TRP A 51 -6.312 20.713 -11.826 1.00 25.32 C ATOM 756 CG TRP A 51 -5.960 19.648 -10.832 1.00 35.44 C ATOM 757 CD1 TRP A 51 -5.356 19.825 -9.620 1.00 65.11 C ATOM 758 CD2 TRP A 51 -6.187 18.241 -10.968 1.00 50.02 C ATOM 759 NE1 TRP A 51 -5.196 18.614 -8.993 1.00 72.11 N ATOM 760 CE2 TRP A 51 -5.697 17.625 -9.799 1.00 35.13 C ATOM 761 CE3 TRP A 51 -6.757 17.441 -11.961 1.00 1.24 C ATOM 762 CZ2 TRP A 51 -5.763 16.249 -9.600 1.00 0.23 C ATOM 763 CZ3 TRP A 51 -6.820 16.076 -11.763 1.00 32.24 C ATOM 764 CH2 TRP A 51 -6.326 15.490 -10.590 1.00 32.35 C ATOM 0 H TRP A 51 -3.925 21.891 -13.058 1.00 65.10 H new ATOM 0 HA TRP A 51 -5.627 19.549 -13.499 1.00 64.31 H new ATOM 0 HB2 TRP A 51 -6.099 21.690 -11.392 1.00 25.32 H new ATOM 0 HB3 TRP A 51 -7.384 20.678 -12.021 1.00 25.32 H new ATOM 0 HD1 TRP A 51 -5.049 20.778 -9.214 1.00 65.11 H new ATOM 0 HE1 TRP A 51 -4.773 18.473 -8.076 1.00 72.11 H new ATOM 0 HE3 TRP A 51 -7.142 17.883 -12.868 1.00 1.24 H new ATOM 0 HZ2 TRP A 51 -5.383 15.796 -8.696 1.00 0.23 H new ATOM 0 HZ3 TRP A 51 -7.258 15.449 -12.526 1.00 32.24 H new ATOM 0 HH2 TRP A 51 -6.391 14.419 -10.465 1.00 32.35 H new ATOM 775 N PRO A 52 -7.280 21.009 -14.819 1.00 33.22 N ATOM 776 CA PRO A 52 -7.998 21.762 -15.851 1.00 11.42 C ATOM 777 C PRO A 52 -8.729 22.974 -15.281 1.00 61.34 C ATOM 778 O PRO A 52 -9.061 23.910 -16.008 1.00 42.35 O ATOM 779 CB PRO A 52 -9.000 20.744 -16.400 1.00 73.34 C ATOM 780 CG PRO A 52 -9.209 19.778 -15.285 1.00 72.40 C ATOM 781 CD PRO A 52 -7.897 19.698 -14.555 1.00 33.43 C ATOM 0 HA PRO A 52 -7.323 22.166 -16.605 1.00 11.42 H new ATOM 0 HB2 PRO A 52 -9.935 21.225 -16.688 1.00 73.34 H new ATOM 0 HB3 PRO A 52 -8.611 20.245 -17.288 1.00 73.34 H new ATOM 0 HG2 PRO A 52 -10.005 20.115 -14.621 1.00 72.40 H new ATOM 0 HG3 PRO A 52 -9.504 18.800 -15.666 1.00 72.40 H new ATOM 0 HD2 PRO A 52 -8.040 19.529 -13.488 1.00 33.43 H new ATOM 0 HD3 PRO A 52 -7.279 18.881 -14.927 1.00 33.43 H new ATOM 789 N LYS A 53 -8.977 22.951 -13.976 1.00 42.35 N ATOM 790 CA LYS A 53 -9.667 24.047 -13.308 1.00 54.32 C ATOM 791 C LYS A 53 -8.743 25.248 -13.140 1.00 33.53 C ATOM 792 O LYS A 53 -9.151 26.391 -13.353 1.00 74.30 O ATOM 793 CB LYS A 53 -10.186 23.593 -11.941 1.00 22.44 C ATOM 794 CG LYS A 53 -11.635 23.144 -11.959 1.00 55.12 C ATOM 795 CD LYS A 53 -11.775 21.733 -12.506 1.00 65.22 C ATOM 796 CE LYS A 53 -12.193 21.741 -13.969 1.00 22.10 C ATOM 797 NZ LYS A 53 -13.024 20.556 -14.315 1.00 32.33 N1+ ATOM 0 H LYS A 53 -8.710 22.184 -13.359 1.00 42.35 H new ATOM 0 HA LYS A 53 -10.512 24.345 -13.929 1.00 54.32 H new ATOM 0 HB2 LYS A 53 -9.565 22.773 -11.580 1.00 22.44 H new ATOM 0 HB3 LYS A 53 -10.077 24.412 -11.230 1.00 22.44 H new ATOM 0 HG2 LYS A 53 -12.042 23.186 -10.949 1.00 55.12 H new ATOM 0 HG3 LYS A 53 -12.222 23.831 -12.568 1.00 55.12 H new ATOM 0 HD2 LYS A 53 -10.827 21.205 -12.400 1.00 65.22 H new ATOM 0 HD3 LYS A 53 -12.512 21.186 -11.919 1.00 65.22 H new ATOM 0 HE2 LYS A 53 -12.753 22.652 -14.182 1.00 22.10 H new ATOM 0 HE3 LYS A 53 -11.305 21.758 -14.600 1.00 22.10 H new ATOM 0 HZ1 LYS A 53 -13.288 20.599 -15.320 1.00 32.33 H new ATOM 0 HZ2 LYS A 53 -12.481 19.687 -14.136 1.00 32.33 H new ATOM 0 HZ3 LYS A 53 -13.884 20.553 -13.731 1.00 32.33 H new ATOM 811 N ASP A 54 -7.499 24.984 -12.760 1.00 52.15 N ATOM 812 CA ASP A 54 -6.517 26.045 -12.566 1.00 1.22 C ATOM 813 C ASP A 54 -5.952 26.512 -13.904 1.00 22.44 C ATOM 814 O ASP A 54 -5.551 27.667 -14.052 1.00 3.21 O ATOM 815 CB ASP A 54 -5.383 25.560 -11.661 1.00 23.13 C ATOM 816 CG ASP A 54 -5.894 24.836 -10.432 1.00 24.34 C ATOM 817 OD1 ASP A 54 -7.054 25.081 -10.038 1.00 70.21 O1- ATOM 818 OD2 ASP A 54 -5.135 24.024 -9.862 1.00 52.31 O ATOM 0 H ASP A 54 -7.146 24.044 -12.580 1.00 52.15 H new ATOM 0 HA ASP A 54 -7.017 26.888 -12.089 1.00 1.22 H new ATOM 0 HB2 ASP A 54 -4.730 24.895 -12.226 1.00 23.13 H new ATOM 0 HB3 ASP A 54 -4.779 26.413 -11.352 1.00 23.13 H new ATOM 823 N LYS A 55 -5.919 25.607 -14.876 1.00 0.11 N ATOM 824 CA LYS A 55 -5.404 25.924 -16.202 1.00 71.30 C ATOM 825 C LYS A 55 -6.340 26.880 -16.935 1.00 30.04 C ATOM 826 O LYS A 55 -5.900 27.877 -17.509 1.00 33.44 O ATOM 827 CB LYS A 55 -5.220 24.645 -17.020 1.00 4.34 C ATOM 828 CG LYS A 55 -4.844 24.899 -18.470 1.00 61.13 C ATOM 829 CD LYS A 55 -5.962 24.492 -19.416 1.00 32.24 C ATOM 830 CE LYS A 55 -6.014 25.396 -20.638 1.00 73.20 C ATOM 831 NZ LYS A 55 -4.839 25.189 -21.531 1.00 23.02 N1+ ATOM 0 H LYS A 55 -6.244 24.646 -14.770 1.00 0.11 H new ATOM 0 HA LYS A 55 -4.437 26.412 -16.081 1.00 71.30 H new ATOM 0 HB2 LYS A 55 -4.447 24.034 -16.555 1.00 4.34 H new ATOM 0 HB3 LYS A 55 -6.144 24.068 -16.989 1.00 4.34 H new ATOM 0 HG2 LYS A 55 -4.616 25.956 -18.608 1.00 61.13 H new ATOM 0 HG3 LYS A 55 -3.939 24.343 -18.715 1.00 61.13 H new ATOM 0 HD2 LYS A 55 -5.815 23.459 -19.732 1.00 32.24 H new ATOM 0 HD3 LYS A 55 -6.917 24.532 -18.891 1.00 32.24 H new ATOM 0 HE2 LYS A 55 -6.931 25.203 -21.194 1.00 73.20 H new ATOM 0 HE3 LYS A 55 -6.048 26.437 -20.318 1.00 73.20 H new ATOM 0 HZ1 LYS A 55 -4.911 25.823 -22.352 1.00 23.02 H new ATOM 0 HZ2 LYS A 55 -3.965 25.398 -21.008 1.00 23.02 H new ATOM 0 HZ3 LYS A 55 -4.820 24.202 -21.857 1.00 23.02 H new ATOM 845 N ARG A 56 -7.632 26.570 -16.912 1.00 42.23 N ATOM 846 CA ARG A 56 -8.629 27.401 -17.574 1.00 60.15 C ATOM 847 C ARG A 56 -8.590 28.829 -17.038 1.00 33.12 C ATOM 848 O ARG A 56 -8.982 29.771 -17.725 1.00 23.12 O ATOM 849 CB ARG A 56 -10.027 26.810 -17.381 1.00 63.23 C ATOM 850 CG ARG A 56 -10.473 26.767 -15.928 1.00 4.43 C ATOM 851 CD ARG A 56 -11.981 26.601 -15.814 1.00 71.40 C ATOM 852 NE ARG A 56 -12.659 27.880 -15.623 1.00 11.52 N ATOM 853 CZ ARG A 56 -13.970 28.045 -15.760 1.00 41.21 C ATOM 854 NH1 ARG A 56 -14.740 27.015 -16.088 1.00 51.32 N1+ ATOM 855 NH2 ARG A 56 -14.514 29.241 -15.569 1.00 63.40 N ATOM 0 H ARG A 56 -8.013 25.749 -16.442 1.00 42.23 H new ATOM 0 HA ARG A 56 -8.396 27.425 -18.639 1.00 60.15 H new ATOM 0 HB2 ARG A 56 -10.743 27.397 -17.955 1.00 63.23 H new ATOM 0 HB3 ARG A 56 -10.045 25.799 -17.788 1.00 63.23 H new ATOM 0 HG2 ARG A 56 -9.975 25.943 -15.417 1.00 4.43 H new ATOM 0 HG3 ARG A 56 -10.168 27.684 -15.425 1.00 4.43 H new ATOM 0 HD2 ARG A 56 -12.362 26.120 -16.715 1.00 71.40 H new ATOM 0 HD3 ARG A 56 -12.211 25.940 -14.978 1.00 71.40 H new ATOM 0 HE ARG A 56 -12.095 28.691 -15.370 1.00 11.52 H new ATOM 0 HH11 ARG A 56 -14.325 26.095 -16.235 1.00 51.32 H new ATOM 0 HH12 ARG A 56 -15.746 27.144 -16.193 1.00 51.32 H new ATOM 0 HH21 ARG A 56 -13.925 30.035 -15.317 1.00 63.40 H new ATOM 0 HH22 ARG A 56 -15.521 29.366 -15.675 1.00 63.40 H new ATOM 869 N GLU A 57 -8.114 28.980 -15.806 1.00 1.14 N ATOM 870 CA GLU A 57 -8.026 30.294 -15.177 1.00 73.50 C ATOM 871 C GLU A 57 -6.649 30.912 -15.402 1.00 75.12 C ATOM 872 O GLU A 57 -6.472 32.123 -15.276 1.00 65.11 O ATOM 873 CB GLU A 57 -8.311 30.186 -13.678 1.00 24.12 C ATOM 874 CG GLU A 57 -9.792 30.221 -13.336 1.00 62.23 C ATOM 875 CD GLU A 57 -10.046 30.572 -11.883 1.00 4.11 C ATOM 876 OE1 GLU A 57 -9.087 30.519 -11.084 1.00 34.10 O1- ATOM 877 OE2 GLU A 57 -11.202 30.898 -11.545 1.00 2.34 O ATOM 0 H GLU A 57 -7.784 28.210 -15.224 1.00 1.14 H new ATOM 0 HA GLU A 57 -8.775 30.940 -15.635 1.00 73.50 H new ATOM 0 HB2 GLU A 57 -7.881 29.258 -13.301 1.00 24.12 H new ATOM 0 HB3 GLU A 57 -7.808 31.003 -13.161 1.00 24.12 H new ATOM 0 HG2 GLU A 57 -10.292 30.949 -13.975 1.00 62.23 H new ATOM 0 HG3 GLU A 57 -10.235 29.249 -13.554 1.00 62.23 H new ATOM 884 N LYS A 58 -5.675 30.070 -15.734 1.00 50.53 N ATOM 885 CA LYS A 58 -4.315 30.532 -15.977 1.00 42.02 C ATOM 886 C LYS A 58 -3.742 31.215 -14.738 1.00 73.23 C ATOM 887 O LYS A 58 -3.432 32.406 -14.763 1.00 73.04 O ATOM 888 CB LYS A 58 -4.285 31.496 -17.164 1.00 61.50 C ATOM 889 CG LYS A 58 -4.797 30.885 -18.457 1.00 44.31 C ATOM 890 CD LYS A 58 -3.657 30.399 -19.334 1.00 22.35 C ATOM 891 CE LYS A 58 -3.565 28.881 -19.339 1.00 42.41 C ATOM 892 NZ LYS A 58 -2.902 28.369 -20.569 1.00 3.31 N1+ ATOM 0 H LYS A 58 -5.804 29.064 -15.841 1.00 50.53 H new ATOM 0 HA LYS A 58 -3.699 29.663 -16.208 1.00 42.02 H new ATOM 0 HB2 LYS A 58 -4.885 32.373 -16.924 1.00 61.50 H new ATOM 0 HB3 LYS A 58 -3.262 31.841 -17.315 1.00 61.50 H new ATOM 0 HG2 LYS A 58 -5.462 30.052 -18.228 1.00 44.31 H new ATOM 0 HG3 LYS A 58 -5.386 31.623 -19.001 1.00 44.31 H new ATOM 0 HD2 LYS A 58 -3.801 30.759 -20.353 1.00 22.35 H new ATOM 0 HD3 LYS A 58 -2.717 30.820 -18.977 1.00 22.35 H new ATOM 0 HE2 LYS A 58 -3.010 28.548 -18.462 1.00 42.41 H new ATOM 0 HE3 LYS A 58 -4.566 28.456 -19.263 1.00 42.41 H new ATOM 0 HZ1 LYS A 58 -2.859 27.330 -20.534 1.00 3.31 H new ATOM 0 HZ2 LYS A 58 -3.445 28.665 -21.405 1.00 3.31 H new ATOM 0 HZ3 LYS A 58 -1.938 28.753 -20.629 1.00 3.31 H new ATOM 906 N VAL A 59 -3.605 30.453 -13.658 1.00 2.35 N ATOM 907 CA VAL A 59 -3.067 30.985 -12.411 1.00 3.13 C ATOM 908 C VAL A 59 -2.269 29.926 -11.661 1.00 32.04 C ATOM 909 O VAL A 59 -2.769 28.836 -11.384 1.00 24.43 O ATOM 910 CB VAL A 59 -4.189 31.510 -11.495 1.00 0.14 C ATOM 911 CG1 VAL A 59 -5.191 30.406 -11.191 1.00 75.04 C ATOM 912 CG2 VAL A 59 -3.606 32.082 -10.212 1.00 61.33 C ATOM 0 H VAL A 59 -3.859 29.466 -13.621 1.00 2.35 H new ATOM 0 HA VAL A 59 -2.408 31.811 -12.678 1.00 3.13 H new ATOM 0 HB VAL A 59 -4.715 32.311 -12.016 1.00 0.14 H new ATOM 0 HG11 VAL A 59 -5.976 30.796 -10.543 1.00 75.04 H new ATOM 0 HG12 VAL A 59 -5.633 30.049 -12.121 1.00 75.04 H new ATOM 0 HG13 VAL A 59 -4.683 29.581 -10.691 1.00 75.04 H new ATOM 0 HG21 VAL A 59 -4.413 32.448 -9.577 1.00 61.33 H new ATOM 0 HG22 VAL A 59 -3.054 31.304 -9.685 1.00 61.33 H new ATOM 0 HG23 VAL A 59 -2.933 32.904 -10.453 1.00 61.33 H new ATOM 922 N ASP A 60 -1.023 30.254 -11.333 1.00 14.15 N ATOM 923 CA ASP A 60 -0.154 29.331 -10.613 1.00 22.51 C ATOM 924 C ASP A 60 -0.711 29.030 -9.225 1.00 13.20 C ATOM 925 O ASP A 60 -0.835 29.923 -8.387 1.00 44.21 O ATOM 926 CB ASP A 60 1.256 29.913 -10.493 1.00 60.44 C ATOM 927 CG ASP A 60 1.973 29.970 -11.829 1.00 44.41 C ATOM 928 OD1 ASP A 60 1.766 29.055 -12.652 1.00 43.53 O1- ATOM 929 OD2 ASP A 60 2.741 30.930 -12.049 1.00 45.21 O ATOM 0 H ASP A 60 -0.593 31.152 -11.555 1.00 14.15 H new ATOM 0 HA ASP A 60 -0.109 28.400 -11.177 1.00 22.51 H new ATOM 0 HB2 ASP A 60 1.197 30.917 -10.072 1.00 60.44 H new ATOM 0 HB3 ASP A 60 1.838 29.309 -9.797 1.00 60.44 H new ATOM 934 N ARG A 61 -1.048 27.766 -8.991 1.00 3.03 N ATOM 935 CA ARG A 61 -1.596 27.347 -7.704 1.00 14.00 C ATOM 936 C ARG A 61 -0.687 26.321 -7.036 1.00 1.23 C ATOM 937 O ARG A 61 -0.048 25.510 -7.706 1.00 63.34 O ATOM 938 CB ARG A 61 -2.996 26.761 -7.890 1.00 5.22 C ATOM 939 CG ARG A 61 -3.978 27.721 -8.540 1.00 53.15 C ATOM 940 CD ARG A 61 -4.961 28.285 -7.527 1.00 54.13 C ATOM 941 NE ARG A 61 -6.136 27.431 -7.371 1.00 11.11 N ATOM 942 CZ ARG A 61 -7.166 27.437 -8.210 1.00 44.10 C ATOM 943 NH1 ARG A 61 -7.166 28.247 -9.259 1.00 75.50 N1+ ATOM 944 NH2 ARG A 61 -8.198 26.631 -8.001 1.00 12.20 N ATOM 0 H ARG A 61 -0.952 27.014 -9.674 1.00 3.03 H new ATOM 0 HA ARG A 61 -1.660 28.224 -7.060 1.00 14.00 H new ATOM 0 HB2 ARG A 61 -2.925 25.860 -8.499 1.00 5.22 H new ATOM 0 HB3 ARG A 61 -3.386 26.459 -6.918 1.00 5.22 H new ATOM 0 HG2 ARG A 61 -3.432 28.538 -9.012 1.00 53.15 H new ATOM 0 HG3 ARG A 61 -4.524 27.205 -9.330 1.00 53.15 H new ATOM 0 HD2 ARG A 61 -4.464 28.398 -6.563 1.00 54.13 H new ATOM 0 HD3 ARG A 61 -5.275 29.280 -7.842 1.00 54.13 H new ATOM 0 HE ARG A 61 -6.167 26.795 -6.574 1.00 11.11 H new ATOM 0 HH11 ARG A 61 -6.374 28.868 -9.424 1.00 75.50 H new ATOM 0 HH12 ARG A 61 -7.958 28.249 -9.901 1.00 75.50 H new ATOM 0 HH21 ARG A 61 -8.202 26.005 -7.195 1.00 12.20 H new ATOM 0 HH22 ARG A 61 -8.988 26.637 -8.646 1.00 12.20 H new ATOM 958 N CYS A 62 -0.633 26.362 -5.709 1.00 42.04 N ATOM 959 CA CYS A 62 0.197 25.437 -4.946 1.00 0.35 C ATOM 960 C CYS A 62 -0.291 24.001 -5.116 1.00 41.03 C ATOM 961 O CYS A 62 -1.480 23.718 -4.966 1.00 41.35 O ATOM 962 CB CYS A 62 0.194 25.818 -3.465 1.00 62.15 C ATOM 963 SG CYS A 62 1.028 24.609 -2.386 1.00 73.51 S ATOM 0 H CYS A 62 -1.155 27.027 -5.139 1.00 42.04 H new ATOM 0 HA CYS A 62 1.216 25.503 -5.328 1.00 0.35 H new ATOM 0 HB2 CYS A 62 0.678 26.788 -3.349 1.00 62.15 H new ATOM 0 HB3 CYS A 62 -0.838 25.935 -3.133 1.00 62.15 H new ATOM 968 N TYR A 63 0.633 23.100 -5.428 1.00 45.52 N ATOM 969 CA TYR A 63 0.297 21.695 -5.618 1.00 14.20 C ATOM 970 C TYR A 63 1.356 20.791 -4.991 1.00 21.05 C ATOM 971 O TYR A 63 2.501 21.198 -4.801 1.00 3.33 O ATOM 972 CB TYR A 63 0.160 21.379 -7.108 1.00 45.41 C ATOM 973 CG TYR A 63 1.477 21.375 -7.851 1.00 52.45 C ATOM 974 CD1 TYR A 63 2.259 20.227 -7.913 1.00 1.01 C ATOM 975 CD2 TYR A 63 1.940 22.518 -8.491 1.00 72.13 C ATOM 976 CE1 TYR A 63 3.464 20.220 -8.588 1.00 53.34 C ATOM 977 CE2 TYR A 63 3.144 22.518 -9.170 1.00 13.22 C ATOM 978 CZ TYR A 63 3.902 21.367 -9.216 1.00 70.24 C ATOM 979 OH TYR A 63 5.100 21.363 -9.891 1.00 43.32 O ATOM 0 H TYR A 63 1.621 23.318 -5.555 1.00 45.52 H new ATOM 0 HA TYR A 63 -0.656 21.506 -5.123 1.00 14.20 H new ATOM 0 HB2 TYR A 63 -0.314 20.404 -7.222 1.00 45.41 H new ATOM 0 HB3 TYR A 63 -0.504 22.112 -7.567 1.00 45.41 H new ATOM 0 HD1 TYR A 63 1.918 19.326 -7.425 1.00 1.01 H new ATOM 0 HD2 TYR A 63 1.349 23.422 -8.457 1.00 72.13 H new ATOM 0 HE1 TYR A 63 4.060 19.320 -8.624 1.00 53.34 H new ATOM 0 HE2 TYR A 63 3.489 23.415 -9.662 1.00 13.22 H new ATOM 0 HH TYR A 63 5.261 22.249 -10.277 1.00 43.32 H new ATOM 989 N ILE A 64 0.961 19.563 -4.674 1.00 55.33 N ATOM 990 CA ILE A 64 1.874 18.600 -4.070 1.00 5.43 C ATOM 991 C ILE A 64 1.585 17.186 -4.560 1.00 12.54 C ATOM 992 O ILE A 64 0.471 16.681 -4.409 1.00 4.15 O ATOM 993 CB ILE A 64 1.787 18.628 -2.533 1.00 2.33 C ATOM 994 CG1 ILE A 64 2.157 20.015 -2.005 1.00 75.43 C ATOM 995 CG2 ILE A 64 2.695 17.567 -1.931 1.00 44.01 C ATOM 996 CD1 ILE A 64 2.034 20.142 -0.502 1.00 11.12 C ATOM 0 H ILE A 64 0.016 19.211 -4.825 1.00 55.33 H new ATOM 0 HA ILE A 64 2.881 18.887 -4.373 1.00 5.43 H new ATOM 0 HB ILE A 64 0.761 18.409 -2.238 1.00 2.33 H new ATOM 0 HG12 ILE A 64 3.181 20.245 -2.298 1.00 75.43 H new ATOM 0 HG13 ILE A 64 1.515 20.758 -2.478 1.00 75.43 H new ATOM 0 HG21 ILE A 64 2.622 17.600 -0.844 1.00 44.01 H new ATOM 0 HG22 ILE A 64 2.389 16.583 -2.286 1.00 44.01 H new ATOM 0 HG23 ILE A 64 3.725 17.757 -2.231 1.00 44.01 H new ATOM 0 HD11 ILE A 64 2.312 21.151 -0.198 1.00 11.12 H new ATOM 0 HD12 ILE A 64 1.005 19.944 -0.203 1.00 11.12 H new ATOM 0 HD13 ILE A 64 2.697 19.423 -0.021 1.00 11.12 H new ATOM 1008 N CYS A 65 2.593 16.549 -5.146 1.00 21.21 N ATOM 1009 CA CYS A 65 2.448 15.191 -5.655 1.00 73.21 C ATOM 1010 C CYS A 65 3.502 14.267 -5.053 1.00 10.41 C ATOM 1011 O CYS A 65 4.539 14.722 -4.572 1.00 53.41 O ATOM 1012 CB CYS A 65 2.560 15.184 -7.182 1.00 24.12 C ATOM 1013 SG CYS A 65 1.314 16.211 -8.025 1.00 3.43 S ATOM 0 H CYS A 65 3.520 16.952 -5.280 1.00 21.21 H new ATOM 0 HA CYS A 65 1.463 14.824 -5.366 1.00 73.21 H new ATOM 0 HB2 CYS A 65 3.553 15.533 -7.464 1.00 24.12 H new ATOM 0 HB3 CYS A 65 2.470 14.158 -7.537 1.00 24.12 H new ATOM 1018 N ASN A 66 3.228 12.967 -5.082 1.00 44.32 N ATOM 1019 CA ASN A 66 4.153 11.979 -4.538 1.00 53.41 C ATOM 1020 C ASN A 66 5.361 11.805 -5.453 1.00 40.54 C ATOM 1021 O ASN A 66 5.362 12.266 -6.592 1.00 42.44 O ATOM 1022 CB ASN A 66 3.443 10.637 -4.350 1.00 4.34 C ATOM 1023 CG ASN A 66 2.954 10.052 -5.661 1.00 53.40 C ATOM 1024 OD1 ASN A 66 2.870 10.749 -6.672 1.00 23.11 O ATOM 1025 ND2 ASN A 66 2.629 8.764 -5.649 1.00 12.22 N ATOM 0 H ASN A 66 2.374 12.573 -5.476 1.00 44.32 H new ATOM 0 HA ASN A 66 4.502 12.337 -3.569 1.00 53.41 H new ATOM 0 HB2 ASN A 66 4.124 9.933 -3.873 1.00 4.34 H new ATOM 0 HB3 ASN A 66 2.597 10.768 -3.676 1.00 4.34 H new ATOM 0 HD21 ASN A 66 2.294 8.315 -6.501 1.00 12.22 H new ATOM 0 HD22 ASN A 66 2.714 8.224 -4.788 1.00 12.22 H new ATOM 1032 N ASN A 67 6.390 11.135 -4.942 1.00 11.55 N ATOM 1033 CA ASN A 67 7.606 10.898 -5.712 1.00 15.23 C ATOM 1034 C ASN A 67 7.297 10.140 -6.999 1.00 64.24 C ATOM 1035 O ASN A 67 7.980 10.308 -8.009 1.00 61.44 O ATOM 1036 CB ASN A 67 8.619 10.114 -4.876 1.00 20.14 C ATOM 1037 CG ASN A 67 8.144 8.709 -4.560 1.00 74.45 C ATOM 1038 OD1 ASN A 67 6.974 8.492 -4.252 1.00 73.43 O ATOM 1039 ND2 ASN A 67 9.056 7.746 -4.638 1.00 24.13 N ATOM 0 H ASN A 67 6.406 10.747 -3.999 1.00 11.55 H new ATOM 0 HA ASN A 67 8.033 11.866 -5.975 1.00 15.23 H new ATOM 0 HB2 ASN A 67 9.566 10.062 -5.413 1.00 20.14 H new ATOM 0 HB3 ASN A 67 8.809 10.648 -3.945 1.00 20.14 H new ATOM 0 HD21 ASN A 67 8.796 6.780 -4.438 1.00 24.13 H new ATOM 0 HD22 ASN A 67 10.016 7.973 -4.898 1.00 24.13 H new ATOM 1046 N GLU A 68 6.263 9.307 -6.954 1.00 2.34 N ATOM 1047 CA GLU A 68 5.863 8.523 -8.117 1.00 64.21 C ATOM 1048 C GLU A 68 5.088 9.381 -9.112 1.00 23.15 C ATOM 1049 O GLU A 68 4.819 8.960 -10.237 1.00 62.10 O ATOM 1050 CB GLU A 68 5.009 7.327 -7.685 1.00 13.03 C ATOM 1051 CG GLU A 68 5.583 6.565 -6.503 1.00 32.42 C ATOM 1052 CD GLU A 68 4.931 5.210 -6.310 1.00 43.55 C ATOM 1053 OE1 GLU A 68 5.315 4.259 -7.023 1.00 63.23 O1- ATOM 1054 OE2 GLU A 68 4.035 5.101 -5.447 1.00 12.11 O ATOM 0 H GLU A 68 5.687 9.157 -6.126 1.00 2.34 H new ATOM 0 HA GLU A 68 6.767 8.158 -8.605 1.00 64.21 H new ATOM 0 HB2 GLU A 68 4.009 7.679 -7.429 1.00 13.03 H new ATOM 0 HB3 GLU A 68 4.901 6.645 -8.528 1.00 13.03 H new ATOM 0 HG2 GLU A 68 6.655 6.431 -6.648 1.00 32.42 H new ATOM 0 HG3 GLU A 68 5.456 7.158 -5.597 1.00 32.42 H new ATOM 1061 N LYS A 69 4.732 10.589 -8.689 1.00 71.44 N ATOM 1062 CA LYS A 69 3.989 11.511 -9.543 1.00 40.30 C ATOM 1063 C LYS A 69 2.713 10.858 -10.065 1.00 12.13 C ATOM 1064 O LYS A 69 2.209 11.221 -11.129 1.00 32.33 O ATOM 1065 CB LYS A 69 4.859 11.966 -10.716 1.00 41.01 C ATOM 1066 CG LYS A 69 5.838 13.071 -10.354 1.00 21.00 C ATOM 1067 CD LYS A 69 6.758 13.404 -11.516 1.00 71.15 C ATOM 1068 CE LYS A 69 7.828 14.405 -11.111 1.00 4.11 C ATOM 1069 NZ LYS A 69 8.879 14.549 -12.157 1.00 61.00 N1+ ATOM 0 H LYS A 69 4.945 10.953 -7.760 1.00 71.44 H new ATOM 0 HA LYS A 69 3.714 12.380 -8.945 1.00 40.30 H new ATOM 0 HB2 LYS A 69 5.415 11.110 -11.099 1.00 41.01 H new ATOM 0 HB3 LYS A 69 4.214 12.313 -11.523 1.00 41.01 H new ATOM 0 HG2 LYS A 69 5.287 13.964 -10.058 1.00 21.00 H new ATOM 0 HG3 LYS A 69 6.433 12.764 -9.494 1.00 21.00 H new ATOM 0 HD2 LYS A 69 7.231 12.492 -11.880 1.00 71.15 H new ATOM 0 HD3 LYS A 69 6.172 13.810 -12.341 1.00 71.15 H new ATOM 0 HE2 LYS A 69 7.366 15.375 -10.925 1.00 4.11 H new ATOM 0 HE3 LYS A 69 8.288 14.086 -10.176 1.00 4.11 H new ATOM 0 HZ1 LYS A 69 9.589 15.240 -11.842 1.00 61.00 H new ATOM 0 HZ2 LYS A 69 9.338 13.629 -12.317 1.00 61.00 H new ATOM 0 HZ3 LYS A 69 8.444 14.878 -13.043 1.00 61.00 H new ATOM 1083 N THR A 70 2.193 9.896 -9.311 1.00 30.31 N ATOM 1084 CA THR A 70 0.976 9.193 -9.697 1.00 22.31 C ATOM 1085 C THR A 70 -0.245 9.785 -9.001 1.00 43.33 C ATOM 1086 O THR A 70 -1.329 9.854 -9.580 1.00 43.31 O ATOM 1087 CB THR A 70 1.065 7.692 -9.368 1.00 53.45 C ATOM 1088 OG1 THR A 70 1.076 7.502 -7.949 1.00 5.25 O ATOM 1089 CG2 THR A 70 2.316 7.077 -9.975 1.00 43.40 C ATOM 0 H THR A 70 2.596 9.585 -8.427 1.00 30.31 H new ATOM 0 HA THR A 70 0.870 9.314 -10.775 1.00 22.31 H new ATOM 0 HB THR A 70 0.193 7.197 -9.795 1.00 53.45 H new ATOM 0 HG1 THR A 70 1.291 6.568 -7.746 1.00 5.25 H new ATOM 0 HG21 THR A 70 2.356 6.016 -9.729 1.00 43.40 H new ATOM 0 HG22 THR A 70 2.292 7.197 -11.058 1.00 43.40 H new ATOM 0 HG23 THR A 70 3.198 7.576 -9.574 1.00 43.40 H new ATOM 1097 N LEU A 71 -0.062 10.209 -7.756 1.00 55.15 N ATOM 1098 CA LEU A 71 -1.149 10.796 -6.980 1.00 63.21 C ATOM 1099 C LEU A 71 -0.874 12.265 -6.681 1.00 74.32 C ATOM 1100 O LEU A 71 0.252 12.643 -6.350 1.00 71.24 O ATOM 1101 CB LEU A 71 -1.342 10.025 -5.672 1.00 51.23 C ATOM 1102 CG LEU A 71 -2.767 9.984 -5.121 1.00 34.13 C ATOM 1103 CD1 LEU A 71 -3.019 8.676 -4.387 1.00 32.00 C ATOM 1104 CD2 LEU A 71 -3.017 11.170 -4.201 1.00 23.13 C ATOM 0 H LEU A 71 0.829 10.157 -7.262 1.00 55.15 H new ATOM 0 HA LEU A 71 -2.062 10.730 -7.572 1.00 63.21 H new ATOM 0 HB2 LEU A 71 -1.003 9.000 -5.824 1.00 51.23 H new ATOM 0 HB3 LEU A 71 -0.694 10.466 -4.915 1.00 51.23 H new ATOM 0 HG LEU A 71 -3.461 10.046 -5.959 1.00 34.13 H new ATOM 0 HD11 LEU A 71 -4.039 8.665 -4.002 1.00 32.00 H new ATOM 0 HD12 LEU A 71 -2.882 7.841 -5.074 1.00 32.00 H new ATOM 0 HD13 LEU A 71 -2.317 8.583 -3.558 1.00 32.00 H new ATOM 0 HD21 LEU A 71 -4.036 11.125 -3.818 1.00 23.13 H new ATOM 0 HD22 LEU A 71 -2.315 11.139 -3.368 1.00 23.13 H new ATOM 0 HD23 LEU A 71 -2.879 12.097 -4.757 1.00 23.13 H new ATOM 1116 N CYS A 72 -1.908 13.091 -6.798 1.00 53.03 N ATOM 1117 CA CYS A 72 -1.779 14.521 -6.539 1.00 32.24 C ATOM 1118 C CYS A 72 -3.028 15.063 -5.850 1.00 44.23 C ATOM 1119 O CYS A 72 -4.100 14.461 -5.917 1.00 42.24 O ATOM 1120 CB CYS A 72 -1.535 15.276 -7.846 1.00 15.44 C ATOM 1121 SG CYS A 72 -0.020 14.773 -8.726 1.00 43.01 S ATOM 0 H CYS A 72 -2.845 12.795 -7.071 1.00 53.03 H new ATOM 0 HA CYS A 72 -0.926 14.671 -5.876 1.00 32.24 H new ATOM 0 HB2 CYS A 72 -2.391 15.127 -8.504 1.00 15.44 H new ATOM 0 HB3 CYS A 72 -1.480 16.343 -7.632 1.00 15.44 H new ATOM 1126 N THR A 73 -2.882 16.207 -5.189 1.00 61.13 N ATOM 1127 CA THR A 73 -3.996 16.831 -4.487 1.00 22.22 C ATOM 1128 C THR A 73 -5.208 16.977 -5.399 1.00 44.15 C ATOM 1129 O THR A 73 -5.074 17.302 -6.577 1.00 61.12 O ATOM 1130 CB THR A 73 -3.609 18.217 -3.939 1.00 35.12 C ATOM 1131 OG1 THR A 73 -2.537 18.767 -4.711 1.00 31.14 O ATOM 1132 CG2 THR A 73 -3.196 18.126 -2.478 1.00 55.11 C ATOM 0 H THR A 73 -2.003 16.720 -5.125 1.00 61.13 H new ATOM 0 HA THR A 73 -4.250 16.177 -3.653 1.00 22.22 H new ATOM 0 HB THR A 73 -4.480 18.868 -4.013 1.00 35.12 H new ATOM 0 HG1 THR A 73 -2.298 19.649 -4.357 1.00 31.14 H new ATOM 0 HG21 THR A 73 -2.927 19.117 -2.113 1.00 55.11 H new ATOM 0 HG22 THR A 73 -4.026 17.735 -1.889 1.00 55.11 H new ATOM 0 HG23 THR A 73 -2.339 17.460 -2.383 1.00 55.11 H new ATOM 1140 N SER A 74 -6.393 16.735 -4.845 1.00 30.10 N ATOM 1141 CA SER A 74 -7.630 16.837 -5.613 1.00 62.43 C ATOM 1142 C SER A 74 -7.743 18.203 -6.281 1.00 35.40 C ATOM 1143 O SER A 74 -7.190 19.192 -5.799 1.00 60.23 O ATOM 1144 CB SER A 74 -8.837 16.600 -4.704 1.00 23.42 C ATOM 1145 OG SER A 74 -10.042 16.584 -5.451 1.00 21.12 O ATOM 0 H SER A 74 -6.523 16.467 -3.869 1.00 30.10 H new ATOM 0 HA SER A 74 -7.612 16.073 -6.390 1.00 62.43 H new ATOM 0 HB2 SER A 74 -8.719 15.653 -4.177 1.00 23.42 H new ATOM 0 HB3 SER A 74 -8.885 17.382 -3.947 1.00 23.42 H new ATOM 0 HG SER A 74 -10.615 17.326 -5.164 1.00 21.12 H new ATOM 1151 N VAL A 75 -8.463 18.250 -7.397 1.00 55.43 N ATOM 1152 CA VAL A 75 -8.651 19.494 -8.134 1.00 11.13 C ATOM 1153 C VAL A 75 -9.286 20.564 -7.254 1.00 25.41 C ATOM 1154 O VAL A 75 -9.141 21.759 -7.508 1.00 24.22 O ATOM 1155 CB VAL A 75 -9.530 19.281 -9.381 1.00 13.53 C ATOM 1156 CG1 VAL A 75 -10.938 18.869 -8.977 1.00 14.01 C ATOM 1157 CG2 VAL A 75 -9.560 20.541 -10.233 1.00 0.01 C ATOM 0 H VAL A 75 -8.926 17.441 -7.811 1.00 55.43 H new ATOM 0 HA VAL A 75 -7.662 19.827 -8.449 1.00 11.13 H new ATOM 0 HB VAL A 75 -9.097 18.477 -9.976 1.00 13.53 H new ATOM 0 HG11 VAL A 75 -11.545 18.723 -9.871 1.00 14.01 H new ATOM 0 HG12 VAL A 75 -10.896 17.939 -8.411 1.00 14.01 H new ATOM 0 HG13 VAL A 75 -11.383 19.650 -8.360 1.00 14.01 H new ATOM 0 HG21 VAL A 75 -10.185 20.373 -11.110 1.00 0.01 H new ATOM 0 HG22 VAL A 75 -9.968 21.366 -9.649 1.00 0.01 H new ATOM 0 HG23 VAL A 75 -8.548 20.789 -10.552 1.00 0.01 H new ATOM 1167 N MET A 76 -9.991 20.126 -6.215 1.00 43.31 N ATOM 1168 CA MET A 76 -10.648 21.047 -5.295 1.00 43.13 C ATOM 1169 C MET A 76 -10.910 20.376 -3.950 1.00 51.03 C ATOM 1170 O MET A 76 -10.860 19.151 -3.835 1.00 70.34 O ATOM 1171 CB MET A 76 -11.964 21.548 -5.893 1.00 71.42 C ATOM 1172 CG MET A 76 -12.808 20.446 -6.513 1.00 32.35 C ATOM 1173 SD MET A 76 -14.577 20.767 -6.377 1.00 71.52 S ATOM 1174 CE MET A 76 -15.056 19.525 -5.180 1.00 75.53 C ATOM 0 H MET A 76 -10.122 19.140 -5.990 1.00 43.31 H new ATOM 0 HA MET A 76 -9.984 21.897 -5.135 1.00 43.13 H new ATOM 0 HB2 MET A 76 -12.543 22.043 -5.113 1.00 71.42 H new ATOM 0 HB3 MET A 76 -11.746 22.299 -6.653 1.00 71.42 H new ATOM 0 HG2 MET A 76 -12.542 20.338 -7.565 1.00 32.35 H new ATOM 0 HG3 MET A 76 -12.576 19.499 -6.026 1.00 32.35 H new ATOM 0 HE1 MET A 76 -16.127 19.596 -4.990 1.00 75.53 H new ATOM 0 HE2 MET A 76 -14.822 18.534 -5.570 1.00 75.53 H new ATOM 0 HE3 MET A 76 -14.511 19.687 -4.250 1.00 75.53 H new TER 1184 MET A 76