USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 ASN : amide:sc= -1.07 K(o=-0.27,f=-13!) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0.793 USER MOD Set 2.1: A 30 SER OG : rot 180:sc= -0.599 USER MOD Set 2.2: A 33 GLN : amide:sc= -2.49 X(o=-3.1,f=-3.1!) USER MOD Set 3.1: A 10 TYR OH : rot -14:sc= 1.94 USER MOD Set 3.2: A 12 TYR OH : rot 180:sc= 0.751 USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0224 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0592 USER MOD Single : A 4 SER OG : rot 180:sc= -0.0332 USER MOD Single : A 7 GLN : amide:sc=-0.000921 K(o=-0.00092,f=-3.1!) USER MOD Single : A 11 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.12) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0918 K(o=-0.092,f=-11!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0679 USER MOD Single : A 29 THR OG1 : rot -28:sc= 0.303 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00857 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.386 K(o=-0.39,f=-0.94) 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+ 147:sc= -0.289 (180deg=-1.56) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.288 K(o=-0.29,f=-1.4) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0354 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -176:sc= 0 (180deg=-0.0285) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.381 -0.554 -0.012 1.00 62.14 N ATOM 2 CA GLY A 1 2.102 0.126 0.068 1.00 72.30 C ATOM 3 C GLY A 1 1.845 1.025 -1.125 1.00 22.14 C ATOM 4 O GLY A 1 2.776 1.607 -1.683 1.00 61.32 O ATOM 0 H1 GLY A 1 3.824 -0.573 0.929 1.00 62.14 H new ATOM 0 H2 GLY A 1 3.236 -1.528 -0.346 1.00 62.14 H new ATOM 0 H3 GLY A 1 4.002 -0.049 -0.677 1.00 62.14 H new ATOM 0 HA2 GLY A 1 1.305 -0.614 0.139 1.00 72.30 H new ATOM 0 HA3 GLY A 1 2.067 0.721 0.981 1.00 72.30 H new ATOM 10 N THR A 2 0.582 1.138 -1.519 1.00 31.43 N ATOM 11 CA THR A 2 0.207 1.971 -2.656 1.00 21.31 C ATOM 12 C THR A 2 0.036 3.426 -2.239 1.00 71.43 C ATOM 13 O THR A 2 -0.162 3.742 -1.065 1.00 32.13 O ATOM 14 CB THR A 2 -1.099 1.477 -3.306 1.00 31.02 C ATOM 15 OG1 THR A 2 -1.945 0.881 -2.317 1.00 74.52 O ATOM 16 CG2 THR A 2 -0.808 0.468 -4.407 1.00 63.13 C ATOM 0 H THR A 2 -0.200 0.663 -1.068 1.00 31.43 H new ATOM 0 HA THR A 2 1.016 1.898 -3.383 1.00 21.31 H new ATOM 0 HB THR A 2 -1.606 2.335 -3.746 1.00 31.02 H new ATOM 0 HG1 THR A 2 -2.774 0.571 -2.739 1.00 74.52 H new ATOM 0 HG21 THR A 2 -1.746 0.134 -4.851 1.00 63.13 H new ATOM 0 HG22 THR A 2 -0.189 0.934 -5.174 1.00 63.13 H new ATOM 0 HG23 THR A 2 -0.280 -0.388 -3.986 1.00 63.13 H new ATOM 24 N PRO A 3 0.113 4.336 -3.220 1.00 22.24 N ATOM 25 CA PRO A 3 -0.034 5.776 -2.979 1.00 51.53 C ATOM 26 C PRO A 3 -1.461 6.158 -2.601 1.00 21.02 C ATOM 27 O PRO A 3 -2.423 5.572 -3.096 1.00 25.42 O ATOM 28 CB PRO A 3 0.350 6.402 -4.323 1.00 52.33 C ATOM 29 CG PRO A 3 0.067 5.341 -5.330 1.00 61.01 C ATOM 30 CD PRO A 3 0.345 4.033 -4.642 1.00 71.24 C ATOM 0 HA PRO A 3 0.581 6.114 -2.145 1.00 51.53 H new ATOM 0 HB2 PRO A 3 -0.233 7.302 -4.521 1.00 52.33 H new ATOM 0 HB3 PRO A 3 1.400 6.693 -4.339 1.00 52.33 H new ATOM 0 HG2 PRO A 3 -0.968 5.391 -5.670 1.00 61.01 H new ATOM 0 HG3 PRO A 3 0.698 5.461 -6.211 1.00 61.01 H new ATOM 0 HD2 PRO A 3 -0.318 3.244 -4.997 1.00 71.24 H new ATOM 0 HD3 PRO A 3 1.366 3.696 -4.819 1.00 71.24 H new ATOM 38 N SER A 4 -1.590 7.146 -1.721 1.00 53.30 N ATOM 39 CA SER A 4 -2.901 7.604 -1.274 1.00 1.23 C ATOM 40 C SER A 4 -2.873 9.096 -0.955 1.00 70.21 C ATOM 41 O SER A 4 -1.855 9.764 -1.138 1.00 72.45 O ATOM 42 CB SER A 4 -3.348 6.816 -0.042 1.00 45.22 C ATOM 43 OG SER A 4 -3.257 5.420 -0.270 1.00 21.10 O ATOM 0 H SER A 4 -0.804 7.644 -1.304 1.00 53.30 H new ATOM 0 HA SER A 4 -3.613 7.435 -2.082 1.00 1.23 H new ATOM 0 HB2 SER A 4 -2.729 7.089 0.813 1.00 45.22 H new ATOM 0 HB3 SER A 4 -4.375 7.081 0.210 1.00 45.22 H new ATOM 0 HG SER A 4 -3.547 4.938 0.533 1.00 21.10 H new ATOM 49 N ALA A 5 -4.000 9.613 -0.477 1.00 44.51 N ATOM 50 CA ALA A 5 -4.108 11.024 -0.130 1.00 71.53 C ATOM 51 C ALA A 5 -3.054 11.419 0.899 1.00 64.50 C ATOM 52 O ALA A 5 -2.680 12.586 1.003 1.00 75.23 O ATOM 53 CB ALA A 5 -5.502 11.336 0.393 1.00 50.33 C ATOM 0 H ALA A 5 -4.852 9.075 -0.321 1.00 44.51 H new ATOM 0 HA ALA A 5 -3.933 11.608 -1.034 1.00 71.53 H new ATOM 0 HB1 ALA A 5 -5.567 12.394 0.648 1.00 50.33 H new ATOM 0 HB2 ALA A 5 -6.239 11.102 -0.375 1.00 50.33 H new ATOM 0 HB3 ALA A 5 -5.700 10.736 1.281 1.00 50.33 H new ATOM 59 N ASP A 6 -2.579 10.436 1.657 1.00 73.12 N ATOM 60 CA ASP A 6 -1.567 10.680 2.679 1.00 73.34 C ATOM 61 C ASP A 6 -0.218 10.998 2.043 1.00 50.31 C ATOM 62 O ASP A 6 0.618 11.673 2.642 1.00 61.44 O ATOM 63 CB ASP A 6 -1.437 9.466 3.599 1.00 32.21 C ATOM 64 CG ASP A 6 -0.626 9.766 4.844 1.00 10.24 C ATOM 65 OD1 ASP A 6 -1.166 10.424 5.759 1.00 72.44 O ATOM 66 OD2 ASP A 6 0.549 9.346 4.904 1.00 60.32 O1- ATOM 0 H ASP A 6 -2.878 9.464 1.583 1.00 73.12 H new ATOM 0 HA ASP A 6 -1.882 11.541 3.269 1.00 73.34 H new ATOM 0 HB2 ASP A 6 -2.431 9.126 3.890 1.00 32.21 H new ATOM 0 HB3 ASP A 6 -0.968 8.648 3.052 1.00 32.21 H new ATOM 71 N GLN A 7 -0.013 10.507 0.824 1.00 61.34 N ATOM 72 CA GLN A 7 1.235 10.737 0.107 1.00 33.32 C ATOM 73 C GLN A 7 1.300 12.162 -0.429 1.00 30.12 C ATOM 74 O GLN A 7 2.383 12.723 -0.604 1.00 65.14 O ATOM 75 CB GLN A 7 1.380 9.740 -1.043 1.00 3.44 C ATOM 76 CG GLN A 7 1.928 8.389 -0.614 1.00 3.33 C ATOM 77 CD GLN A 7 3.442 8.359 -0.573 1.00 3.22 C ATOM 78 OE1 GLN A 7 4.073 9.178 0.096 1.00 64.11 O ATOM 79 NE2 GLN A 7 4.036 7.412 -1.290 1.00 43.14 N ATOM 0 H GLN A 7 -0.696 9.947 0.313 1.00 61.34 H new ATOM 0 HA GLN A 7 2.058 10.594 0.808 1.00 33.32 H new ATOM 0 HB2 GLN A 7 0.407 9.595 -1.512 1.00 3.44 H new ATOM 0 HB3 GLN A 7 2.038 10.165 -1.800 1.00 3.44 H new ATOM 0 HG2 GLN A 7 1.537 8.139 0.372 1.00 3.33 H new ATOM 0 HG3 GLN A 7 1.572 7.622 -1.302 1.00 3.33 H new ATOM 0 HE21 GLN A 7 3.475 6.754 -1.830 1.00 43.14 H new ATOM 0 HE22 GLN A 7 5.054 7.343 -1.301 1.00 43.14 H new ATOM 88 N VAL A 8 0.135 12.746 -0.688 1.00 11.23 N ATOM 89 CA VAL A 8 0.059 14.109 -1.202 1.00 70.32 C ATOM 90 C VAL A 8 -0.144 15.113 -0.074 1.00 51.41 C ATOM 91 O VAL A 8 -0.653 16.212 -0.292 1.00 2.43 O ATOM 92 CB VAL A 8 -1.086 14.260 -2.222 1.00 23.21 C ATOM 93 CG1 VAL A 8 -0.798 13.447 -3.474 1.00 70.42 C ATOM 94 CG2 VAL A 8 -2.411 13.843 -1.599 1.00 21.21 C ATOM 0 H VAL A 8 -0.770 12.297 -0.550 1.00 11.23 H new ATOM 0 HA VAL A 8 1.008 14.313 -1.698 1.00 70.32 H new ATOM 0 HB VAL A 8 -1.158 15.309 -2.509 1.00 23.21 H new ATOM 0 HG11 VAL A 8 -1.618 13.567 -4.182 1.00 70.42 H new ATOM 0 HG12 VAL A 8 0.129 13.796 -3.929 1.00 70.42 H new ATOM 0 HG13 VAL A 8 -0.698 12.394 -3.209 1.00 70.42 H new ATOM 0 HG21 VAL A 8 -3.209 13.956 -2.332 1.00 21.21 H new ATOM 0 HG22 VAL A 8 -2.353 12.801 -1.283 1.00 21.21 H new ATOM 0 HG23 VAL A 8 -2.621 14.473 -0.735 1.00 21.21 H new ATOM 104 N ARG A 9 0.260 14.727 1.133 1.00 23.24 N ATOM 105 CA ARG A 9 0.123 15.594 2.298 1.00 13.23 C ATOM 106 C ARG A 9 1.163 16.709 2.272 1.00 52.15 C ATOM 107 O ARG A 9 1.975 16.792 1.350 1.00 24.40 O ATOM 108 CB ARG A 9 0.263 14.780 3.585 1.00 64.10 C ATOM 109 CG ARG A 9 -1.010 14.054 3.988 1.00 33.12 C ATOM 110 CD ARG A 9 -1.964 14.974 4.733 1.00 30.54 C ATOM 111 NE ARG A 9 -1.603 15.113 6.141 1.00 63.31 N ATOM 112 CZ ARG A 9 -1.910 14.216 7.071 1.00 44.51 C ATOM 113 NH1 ARG A 9 -2.580 13.120 6.744 1.00 13.12 N1+ ATOM 114 NH2 ARG A 9 -1.546 14.414 8.331 1.00 52.12 N ATOM 0 H ARG A 9 0.684 13.820 1.329 1.00 23.24 H new ATOM 0 HA ARG A 9 -0.868 16.046 2.268 1.00 13.23 H new ATOM 0 HB2 ARG A 9 1.063 14.050 3.458 1.00 64.10 H new ATOM 0 HB3 ARG A 9 0.564 15.445 4.395 1.00 64.10 H new ATOM 0 HG2 ARG A 9 -1.503 13.660 3.099 1.00 33.12 H new ATOM 0 HG3 ARG A 9 -0.759 13.201 4.618 1.00 33.12 H new ATOM 0 HD2 ARG A 9 -1.964 15.956 4.260 1.00 30.54 H new ATOM 0 HD3 ARG A 9 -2.979 14.583 4.656 1.00 30.54 H new ATOM 0 HE ARG A 9 -1.086 15.945 6.426 1.00 63.31 H new ATOM 0 HH11 ARG A 9 -2.861 12.964 5.776 1.00 13.12 H new ATOM 0 HH12 ARG A 9 -2.814 12.433 7.460 1.00 13.12 H new ATOM 0 HH21 ARG A 9 -1.030 15.256 8.586 1.00 52.12 H new ATOM 0 HH22 ARG A 9 -1.782 13.724 9.044 1.00 52.12 H new ATOM 128 N TYR A 10 1.133 17.563 3.287 1.00 14.33 N ATOM 129 CA TYR A 10 2.073 18.675 3.380 1.00 71.55 C ATOM 130 C TYR A 10 2.453 18.948 4.831 1.00 52.43 C ATOM 131 O TYR A 10 1.732 18.570 5.755 1.00 74.35 O ATOM 132 CB TYR A 10 1.469 19.934 2.754 1.00 34.44 C ATOM 133 CG TYR A 10 0.395 20.577 3.601 1.00 40.24 C ATOM 134 CD1 TYR A 10 0.720 21.496 4.591 1.00 21.35 C ATOM 135 CD2 TYR A 10 -0.946 20.264 3.414 1.00 40.41 C ATOM 136 CE1 TYR A 10 -0.258 22.085 5.369 1.00 1.11 C ATOM 137 CE2 TYR A 10 -1.930 20.848 4.187 1.00 61.22 C ATOM 138 CZ TYR A 10 -1.582 21.759 5.163 1.00 2.14 C ATOM 139 OH TYR A 10 -2.560 22.343 5.935 1.00 11.10 O ATOM 0 H TYR A 10 0.468 17.508 4.058 1.00 14.33 H new ATOM 0 HA TYR A 10 2.975 18.401 2.833 1.00 71.55 H new ATOM 0 HB2 TYR A 10 2.264 20.659 2.578 1.00 34.44 H new ATOM 0 HB3 TYR A 10 1.049 19.680 1.781 1.00 34.44 H new ATOM 0 HD1 TYR A 10 1.756 21.755 4.755 1.00 21.35 H new ATOM 0 HD2 TYR A 10 -1.223 19.552 2.651 1.00 40.41 H new ATOM 0 HE1 TYR A 10 0.013 22.797 6.135 1.00 1.11 H new ATOM 0 HE2 TYR A 10 -2.967 20.593 4.028 1.00 61.22 H new ATOM 0 HH TYR A 10 -2.148 22.778 6.711 1.00 11.10 H new ATOM 149 N ASN A 11 3.590 19.608 5.024 1.00 42.23 N ATOM 150 CA ASN A 11 4.068 19.932 6.364 1.00 42.31 C ATOM 151 C ASN A 11 4.172 21.443 6.553 1.00 20.03 C ATOM 152 O ASN A 11 4.540 22.170 5.631 1.00 44.41 O ATOM 153 CB ASN A 11 5.429 19.280 6.615 1.00 13.35 C ATOM 154 CG ASN A 11 6.131 19.859 7.828 1.00 32.15 C ATOM 155 OD1 ASN A 11 5.625 19.782 8.947 1.00 50.24 O ATOM 156 ND2 ASN A 11 7.305 20.442 7.610 1.00 62.24 N ATOM 0 H ASN A 11 4.198 19.929 4.270 1.00 42.23 H new ATOM 0 HA ASN A 11 3.348 19.542 7.084 1.00 42.31 H new ATOM 0 HB2 ASN A 11 5.295 18.207 6.753 1.00 13.35 H new ATOM 0 HB3 ASN A 11 6.060 19.412 5.736 1.00 13.35 H new ATOM 0 HD21 ASN A 11 7.825 20.849 8.388 1.00 62.24 H new ATOM 0 HD22 ASN A 11 7.686 20.483 6.665 1.00 62.24 H new ATOM 163 N TYR A 12 3.846 21.907 7.754 1.00 45.02 N ATOM 164 CA TYR A 12 3.900 23.330 8.065 1.00 72.31 C ATOM 165 C TYR A 12 5.336 23.779 8.312 1.00 31.24 C ATOM 166 O TYR A 12 5.921 23.486 9.355 1.00 51.10 O ATOM 167 CB TYR A 12 3.039 23.640 9.291 1.00 11.32 C ATOM 168 CG TYR A 12 1.554 23.614 9.010 1.00 4.11 C ATOM 169 CD1 TYR A 12 0.955 24.601 8.237 1.00 5.04 C ATOM 170 CD2 TYR A 12 0.749 22.602 9.520 1.00 12.20 C ATOM 171 CE1 TYR A 12 -0.402 24.581 7.979 1.00 33.01 C ATOM 172 CE2 TYR A 12 -0.608 22.573 9.265 1.00 33.51 C ATOM 173 CZ TYR A 12 -1.180 23.566 8.494 1.00 53.13 C ATOM 174 OH TYR A 12 -2.532 23.541 8.239 1.00 31.24 O ATOM 0 H TYR A 12 3.541 21.318 8.529 1.00 45.02 H new ATOM 0 HA TYR A 12 3.509 23.878 7.208 1.00 72.31 H new ATOM 0 HB2 TYR A 12 3.265 22.917 10.075 1.00 11.32 H new ATOM 0 HB3 TYR A 12 3.310 24.623 9.676 1.00 11.32 H new ATOM 0 HD1 TYR A 12 1.561 25.398 7.831 1.00 5.04 H new ATOM 0 HD2 TYR A 12 1.192 21.825 10.126 1.00 12.20 H new ATOM 0 HE1 TYR A 12 -0.851 25.357 7.377 1.00 33.01 H new ATOM 0 HE2 TYR A 12 -1.219 21.778 9.666 1.00 33.51 H new ATOM 0 HH TYR A 12 -2.933 22.759 8.674 1.00 31.24 H new ATOM 184 N THR A 13 5.901 24.493 7.342 1.00 52.44 N ATOM 185 CA THR A 13 7.270 24.983 7.452 1.00 21.44 C ATOM 186 C THR A 13 7.301 26.499 7.615 1.00 1.51 C ATOM 187 O THR A 13 6.296 27.175 7.393 1.00 61.40 O ATOM 188 CB THR A 13 8.107 24.593 6.219 1.00 0.51 C ATOM 189 OG1 THR A 13 7.535 25.165 5.038 1.00 12.51 O ATOM 190 CG2 THR A 13 8.180 23.081 6.072 1.00 33.31 C ATOM 0 H THR A 13 5.432 24.744 6.472 1.00 52.44 H new ATOM 0 HA THR A 13 7.702 24.517 8.338 1.00 21.44 H new ATOM 0 HB THR A 13 9.117 24.978 6.356 1.00 0.51 H new ATOM 0 HG1 THR A 13 8.074 24.914 4.259 1.00 12.51 H new ATOM 0 HG21 THR A 13 8.776 22.829 5.195 1.00 33.31 H new ATOM 0 HG22 THR A 13 8.642 22.651 6.960 1.00 33.31 H new ATOM 0 HG23 THR A 13 7.174 22.678 5.955 1.00 33.31 H new ATOM 198 N GLU A 14 8.459 27.025 8.001 1.00 33.12 N ATOM 199 CA GLU A 14 8.617 28.461 8.192 1.00 45.32 C ATOM 200 C GLU A 14 9.208 29.115 6.945 1.00 72.14 C ATOM 201 O GLU A 14 10.006 28.505 6.231 1.00 2.41 O ATOM 202 CB GLU A 14 9.512 28.741 9.402 1.00 43.44 C ATOM 203 CG GLU A 14 8.840 29.585 10.472 1.00 35.42 C ATOM 204 CD GLU A 14 9.808 30.038 11.549 1.00 64.44 C ATOM 205 OE1 GLU A 14 10.069 29.250 12.482 1.00 12.22 O ATOM 206 OE2 GLU A 14 10.302 31.181 11.459 1.00 31.43 O1- ATOM 0 H GLU A 14 9.300 26.479 8.187 1.00 33.12 H new ATOM 0 HA GLU A 14 7.631 28.889 8.372 1.00 45.32 H new ATOM 0 HB2 GLU A 14 9.823 27.793 9.841 1.00 43.44 H new ATOM 0 HB3 GLU A 14 10.416 29.248 9.065 1.00 43.44 H new ATOM 0 HG2 GLU A 14 8.384 30.459 10.007 1.00 35.42 H new ATOM 0 HG3 GLU A 14 8.035 29.011 10.930 1.00 35.42 H new ATOM 213 N LEU A 15 8.814 30.356 6.692 1.00 31.01 N ATOM 214 CA LEU A 15 9.303 31.092 5.532 1.00 75.52 C ATOM 215 C LEU A 15 10.082 32.331 5.963 1.00 52.53 C ATOM 216 O LEU A 15 9.933 32.832 7.079 1.00 52.44 O ATOM 217 CB LEU A 15 8.135 31.499 4.630 1.00 45.14 C ATOM 218 CG LEU A 15 7.637 30.430 3.657 1.00 61.13 C ATOM 219 CD1 LEU A 15 6.259 30.795 3.124 1.00 24.13 C ATOM 220 CD2 LEU A 15 8.622 30.249 2.512 1.00 34.00 C ATOM 0 H LEU A 15 8.157 30.875 7.274 1.00 31.01 H new ATOM 0 HA LEU A 15 9.973 30.438 4.974 1.00 75.52 H new ATOM 0 HB2 LEU A 15 7.301 31.803 5.263 1.00 45.14 H new ATOM 0 HB3 LEU A 15 8.434 32.375 4.055 1.00 45.14 H new ATOM 0 HG LEU A 15 7.559 29.485 4.195 1.00 61.13 H new ATOM 0 HD11 LEU A 15 5.920 30.023 2.433 1.00 24.13 H new ATOM 0 HD12 LEU A 15 5.557 30.873 3.954 1.00 24.13 H new ATOM 0 HD13 LEU A 15 6.312 31.751 2.603 1.00 24.13 H new ATOM 0 HD21 LEU A 15 8.251 29.484 1.830 1.00 34.00 H new ATOM 0 HD22 LEU A 15 8.733 31.191 1.975 1.00 34.00 H new ATOM 0 HD23 LEU A 15 9.589 29.942 2.909 1.00 34.00 H new ATOM 232 N PRO A 16 10.932 32.840 5.059 1.00 52.33 N ATOM 233 CA PRO A 16 11.750 34.028 5.322 1.00 73.22 C ATOM 234 C PRO A 16 10.914 35.302 5.397 1.00 42.24 C ATOM 235 O PRO A 16 11.356 36.314 5.937 1.00 30.55 O ATOM 236 CB PRO A 16 12.696 34.081 4.119 1.00 54.14 C ATOM 237 CG PRO A 16 11.968 33.368 3.033 1.00 53.42 C ATOM 238 CD PRO A 16 11.160 32.296 3.710 1.00 70.53 C ATOM 0 HA PRO A 16 12.262 33.966 6.282 1.00 73.22 H new ATOM 0 HB2 PRO A 16 12.920 35.110 3.836 1.00 54.14 H new ATOM 0 HB3 PRO A 16 13.647 33.597 4.342 1.00 54.14 H new ATOM 0 HG2 PRO A 16 11.324 34.052 2.481 1.00 53.42 H new ATOM 0 HG3 PRO A 16 12.665 32.936 2.314 1.00 53.42 H new ATOM 0 HD2 PRO A 16 10.221 32.110 3.188 1.00 70.53 H new ATOM 0 HD3 PRO A 16 11.698 31.349 3.745 1.00 70.53 H new ATOM 246 N ASN A 17 9.703 35.243 4.852 1.00 3.13 N ATOM 247 CA ASN A 17 8.805 36.392 4.859 1.00 21.43 C ATOM 248 C ASN A 17 8.098 36.523 6.205 1.00 30.55 C ATOM 249 O ASN A 17 7.385 37.494 6.450 1.00 12.42 O ATOM 250 CB ASN A 17 7.771 36.265 3.738 1.00 30.03 C ATOM 251 CG ASN A 17 6.876 35.055 3.914 1.00 50.24 C ATOM 252 OD1 ASN A 17 7.046 34.272 4.849 1.00 12.44 O ATOM 253 ND2 ASN A 17 5.913 34.894 3.013 1.00 24.23 N ATOM 0 H ASN A 17 9.321 34.412 4.400 1.00 3.13 H new ATOM 0 HA ASN A 17 9.402 37.289 4.694 1.00 21.43 H new ATOM 0 HB2 ASN A 17 7.158 37.166 3.709 1.00 30.03 H new ATOM 0 HB3 ASN A 17 8.285 36.197 2.779 1.00 30.03 H new ATOM 0 HD21 ASN A 17 5.279 34.098 3.081 1.00 24.23 H new ATOM 0 HD22 ASN A 17 5.807 35.567 2.254 1.00 24.23 H new ATOM 260 N GLY A 18 8.306 35.539 7.074 1.00 75.24 N ATOM 261 CA GLY A 18 7.682 35.563 8.384 1.00 63.13 C ATOM 262 C GLY A 18 6.523 34.593 8.494 1.00 23.55 C ATOM 263 O GLY A 18 6.182 34.145 9.587 1.00 61.41 O ATOM 0 H GLY A 18 8.895 34.726 6.895 1.00 75.24 H new ATOM 0 HA2 GLY A 18 8.427 35.321 9.142 1.00 63.13 H new ATOM 0 HA3 GLY A 18 7.328 36.572 8.596 1.00 63.13 H new ATOM 267 N GLU A 19 5.916 34.269 7.355 1.00 64.42 N ATOM 268 CA GLU A 19 4.786 33.347 7.330 1.00 70.10 C ATOM 269 C GLU A 19 5.265 31.897 7.339 1.00 45.33 C ATOM 270 O GLU A 19 6.466 31.630 7.414 1.00 50.13 O ATOM 271 CB GLU A 19 3.919 33.602 6.096 1.00 2.11 C ATOM 272 CG GLU A 19 3.670 35.075 5.822 1.00 53.05 C ATOM 273 CD GLU A 19 2.286 35.337 5.260 1.00 73.31 C ATOM 274 OE1 GLU A 19 2.110 35.209 4.030 1.00 52.10 O1- ATOM 275 OE2 GLU A 19 1.379 35.672 6.050 1.00 64.10 O ATOM 0 H GLU A 19 6.187 34.630 6.441 1.00 64.42 H new ATOM 0 HA GLU A 19 4.190 33.519 8.226 1.00 70.10 H new ATOM 0 HB2 GLU A 19 4.400 33.155 5.226 1.00 2.11 H new ATOM 0 HB3 GLU A 19 2.961 33.098 6.225 1.00 2.11 H new ATOM 0 HG2 GLU A 19 3.796 35.639 6.746 1.00 53.05 H new ATOM 0 HG3 GLU A 19 4.419 35.442 5.120 1.00 53.05 H new ATOM 282 N TYR A 20 4.321 30.967 7.259 1.00 61.53 N ATOM 283 CA TYR A 20 4.646 29.546 7.260 1.00 34.14 C ATOM 284 C TYR A 20 4.718 29.003 5.837 1.00 55.31 C ATOM 285 O TYR A 20 5.793 28.651 5.347 1.00 31.44 O ATOM 286 CB TYR A 20 3.604 28.765 8.063 1.00 60.13 C ATOM 287 CG TYR A 20 4.040 28.453 9.478 1.00 60.13 C ATOM 288 CD1 TYR A 20 3.854 29.374 10.502 1.00 0.13 C ATOM 289 CD2 TYR A 20 4.638 27.238 9.790 1.00 15.40 C ATOM 290 CE1 TYR A 20 4.251 29.093 11.795 1.00 4.43 C ATOM 291 CE2 TYR A 20 5.037 26.949 11.080 1.00 61.50 C ATOM 292 CZ TYR A 20 4.841 27.880 12.079 1.00 52.13 C ATOM 293 OH TYR A 20 5.237 27.596 13.367 1.00 70.22 O ATOM 0 H TYR A 20 3.324 31.171 7.193 1.00 61.53 H new ATOM 0 HA TYR A 20 5.623 29.423 7.727 1.00 34.14 H new ATOM 0 HB2 TYR A 20 2.678 29.338 8.095 1.00 60.13 H new ATOM 0 HB3 TYR A 20 3.383 27.831 7.545 1.00 60.13 H new ATOM 0 HD1 TYR A 20 3.391 30.325 10.283 1.00 0.13 H new ATOM 0 HD2 TYR A 20 4.793 26.507 9.010 1.00 15.40 H new ATOM 0 HE1 TYR A 20 4.100 29.820 12.579 1.00 4.43 H new ATOM 0 HE2 TYR A 20 5.500 26.000 11.306 1.00 61.50 H new ATOM 0 HH TYR A 20 5.634 26.700 13.397 1.00 70.22 H new ATOM 303 N CYS A 21 3.568 28.939 5.176 1.00 45.41 N ATOM 304 CA CYS A 21 3.498 28.438 3.808 1.00 22.34 C ATOM 305 C CYS A 21 2.086 28.585 3.246 1.00 21.40 C ATOM 306 O CYS A 21 1.104 28.541 3.987 1.00 34.13 O ATOM 307 CB CYS A 21 3.929 26.971 3.755 1.00 14.31 C ATOM 308 SG CYS A 21 2.735 25.818 4.505 1.00 72.04 S ATOM 0 H CYS A 21 2.671 29.228 5.565 1.00 45.41 H new ATOM 0 HA CYS A 21 4.178 29.031 3.196 1.00 22.34 H new ATOM 0 HB2 CYS A 21 4.087 26.687 2.715 1.00 14.31 H new ATOM 0 HB3 CYS A 21 4.887 26.866 4.263 1.00 14.31 H new ATOM 313 N TYR A 22 1.994 28.759 1.932 1.00 73.41 N ATOM 314 CA TYR A 22 0.703 28.913 1.271 1.00 25.14 C ATOM 315 C TYR A 22 0.039 27.559 1.046 1.00 21.32 C ATOM 316 O TYR A 22 0.591 26.687 0.375 1.00 14.24 O ATOM 317 CB TYR A 22 0.875 29.638 -0.065 1.00 71.24 C ATOM 318 CG TYR A 22 1.010 31.138 0.071 1.00 53.20 C ATOM 319 CD1 TYR A 22 0.157 31.860 0.897 1.00 71.22 C ATOM 320 CD2 TYR A 22 1.991 31.833 -0.625 1.00 33.03 C ATOM 321 CE1 TYR A 22 0.277 33.231 1.025 1.00 43.51 C ATOM 322 CE2 TYR A 22 2.119 33.203 -0.503 1.00 75.54 C ATOM 323 CZ TYR A 22 1.259 33.898 0.322 1.00 12.31 C ATOM 324 OH TYR A 22 1.381 35.262 0.448 1.00 10.53 O ATOM 0 H TYR A 22 2.797 28.797 1.304 1.00 73.41 H new ATOM 0 HA TYR A 22 0.060 29.507 1.920 1.00 25.14 H new ATOM 0 HB2 TYR A 22 1.758 29.247 -0.570 1.00 71.24 H new ATOM 0 HB3 TYR A 22 0.019 29.415 -0.702 1.00 71.24 H new ATOM 0 HD1 TYR A 22 -0.613 31.341 1.448 1.00 71.22 H new ATOM 0 HD2 TYR A 22 2.665 31.293 -1.273 1.00 33.03 H new ATOM 0 HE1 TYR A 22 -0.394 33.777 1.672 1.00 43.51 H new ATOM 0 HE2 TYR A 22 2.888 33.727 -1.051 1.00 75.54 H new ATOM 0 HH TYR A 22 2.121 35.577 -0.112 1.00 10.53 H new ATOM 334 N THR A 23 -1.151 27.389 1.614 1.00 31.22 N ATOM 335 CA THR A 23 -1.891 26.141 1.478 1.00 12.23 C ATOM 336 C THR A 23 -1.954 25.695 0.022 1.00 3.11 C ATOM 337 O THR A 23 -1.719 26.474 -0.902 1.00 50.51 O ATOM 338 CB THR A 23 -3.325 26.276 2.023 1.00 70.34 C ATOM 339 OG1 THR A 23 -3.714 27.655 2.043 1.00 51.01 O ATOM 340 CG2 THR A 23 -3.428 25.695 3.425 1.00 42.22 C ATOM 0 H THR A 23 -1.623 28.100 2.173 1.00 31.22 H new ATOM 0 HA THR A 23 -1.357 25.392 2.062 1.00 12.23 H new ATOM 0 HB THR A 23 -3.994 25.720 1.366 1.00 70.34 H new ATOM 0 HG1 THR A 23 -4.628 27.732 2.389 1.00 51.01 H new ATOM 0 HG21 THR A 23 -4.450 25.802 3.789 1.00 42.22 H new ATOM 0 HG22 THR A 23 -3.160 24.639 3.402 1.00 42.22 H new ATOM 0 HG23 THR A 23 -2.748 26.227 4.090 1.00 42.22 H new ATOM 348 N PRO A 24 -2.276 24.410 -0.192 1.00 10.51 N ATOM 349 CA PRO A 24 -2.378 23.833 -1.535 1.00 1.33 C ATOM 350 C PRO A 24 -3.582 24.367 -2.307 1.00 0.42 C ATOM 351 O PRO A 24 -4.580 24.775 -1.713 1.00 21.20 O ATOM 352 CB PRO A 24 -2.538 22.335 -1.266 1.00 42.41 C ATOM 353 CG PRO A 24 -3.130 22.256 0.099 1.00 13.41 C ATOM 354 CD PRO A 24 -2.570 23.425 0.862 1.00 22.44 C ATOM 0 HA PRO A 24 -1.513 24.080 -2.151 1.00 1.33 H new ATOM 0 HB2 PRO A 24 -3.187 21.867 -2.006 1.00 42.41 H new ATOM 0 HB3 PRO A 24 -1.578 21.820 -1.312 1.00 42.41 H new ATOM 0 HG2 PRO A 24 -4.218 22.303 0.056 1.00 13.41 H new ATOM 0 HG3 PRO A 24 -2.871 21.314 0.583 1.00 13.41 H new ATOM 0 HD2 PRO A 24 -3.287 23.813 1.586 1.00 22.44 H new ATOM 0 HD3 PRO A 24 -1.673 23.150 1.417 1.00 22.44 H new ATOM 362 N ARG A 25 -3.480 24.358 -3.631 1.00 41.50 N ATOM 363 CA ARG A 25 -4.559 24.843 -4.483 1.00 11.30 C ATOM 364 C ARG A 25 -4.789 26.336 -4.274 1.00 42.24 C ATOM 365 O ARG A 25 -5.854 26.862 -4.598 1.00 30.50 O ATOM 366 CB ARG A 25 -5.849 24.072 -4.196 1.00 71.35 C ATOM 367 CG ARG A 25 -6.191 23.040 -5.258 1.00 24.20 C ATOM 368 CD ARG A 25 -5.080 22.013 -5.416 1.00 13.12 C ATOM 369 NE ARG A 25 -4.108 22.408 -6.430 1.00 61.42 N ATOM 370 CZ ARG A 25 -4.366 22.408 -7.733 1.00 63.21 C ATOM 371 NH1 ARG A 25 -5.557 22.038 -8.178 1.00 60.40 N1+ ATOM 372 NH2 ARG A 25 -3.428 22.782 -8.596 1.00 31.52 N ATOM 0 H ARG A 25 -2.662 24.020 -4.138 1.00 41.50 H new ATOM 0 HA ARG A 25 -4.269 24.680 -5.521 1.00 11.30 H new ATOM 0 HB2 ARG A 25 -5.756 23.572 -3.232 1.00 71.35 H new ATOM 0 HB3 ARG A 25 -6.674 24.780 -4.110 1.00 71.35 H new ATOM 0 HG2 ARG A 25 -7.119 22.535 -4.991 1.00 24.20 H new ATOM 0 HG3 ARG A 25 -6.363 23.540 -6.211 1.00 24.20 H new ATOM 0 HD2 ARG A 25 -4.573 21.879 -4.461 1.00 13.12 H new ATOM 0 HD3 ARG A 25 -5.513 21.050 -5.685 1.00 13.12 H new ATOM 0 HE ARG A 25 -3.181 22.700 -6.122 1.00 61.42 H new ATOM 0 HH11 ARG A 25 -6.281 21.751 -7.519 1.00 60.40 H new ATOM 0 HH12 ARG A 25 -5.750 22.040 -9.180 1.00 60.40 H new ATOM 0 HH21 ARG A 25 -2.509 23.069 -8.258 1.00 31.52 H new ATOM 0 HH22 ARG A 25 -3.626 22.782 -9.597 1.00 31.52 H new ATOM 386 N ARG A 26 -3.784 27.014 -3.728 1.00 23.54 N ATOM 387 CA ARG A 26 -3.879 28.446 -3.473 1.00 14.21 C ATOM 388 C ARG A 26 -2.974 29.227 -4.422 1.00 22.51 C ATOM 389 O ARG A 26 -1.869 28.791 -4.743 1.00 34.12 O ATOM 390 CB ARG A 26 -3.499 28.754 -2.023 1.00 32.13 C ATOM 391 CG ARG A 26 -4.457 29.713 -1.334 1.00 14.42 C ATOM 392 CD ARG A 26 -3.857 31.104 -1.210 1.00 12.23 C ATOM 393 NE ARG A 26 -4.353 32.010 -2.243 1.00 53.14 N ATOM 394 CZ ARG A 26 -5.567 32.547 -2.229 1.00 71.13 C ATOM 395 NH1 ARG A 26 -6.404 32.274 -1.237 1.00 44.20 N1+ ATOM 396 NH2 ARG A 26 -5.948 33.362 -3.205 1.00 33.14 N ATOM 0 H ARG A 26 -2.896 26.595 -3.454 1.00 23.54 H new ATOM 0 HA ARG A 26 -4.911 28.753 -3.645 1.00 14.21 H new ATOM 0 HB2 ARG A 26 -3.463 27.822 -1.459 1.00 32.13 H new ATOM 0 HB3 ARG A 26 -2.495 29.178 -2.001 1.00 32.13 H new ATOM 0 HG2 ARG A 26 -5.389 29.766 -1.897 1.00 14.42 H new ATOM 0 HG3 ARG A 26 -4.705 29.333 -0.343 1.00 14.42 H new ATOM 0 HD2 ARG A 26 -4.091 31.513 -0.227 1.00 12.23 H new ATOM 0 HD3 ARG A 26 -2.771 31.037 -1.278 1.00 12.23 H new ATOM 0 HE ARG A 26 -3.732 32.243 -3.018 1.00 53.14 H new ATOM 0 HH11 ARG A 26 -6.115 31.651 -0.483 1.00 44.20 H new ATOM 0 HH12 ARG A 26 -7.336 32.688 -1.228 1.00 44.20 H new ATOM 0 HH21 ARG A 26 -5.307 33.577 -3.969 1.00 33.14 H new ATOM 0 HH22 ARG A 26 -6.881 33.773 -3.191 1.00 33.14 H new ATOM 410 N ARG A 27 -3.452 30.385 -4.867 1.00 50.31 N ATOM 411 CA ARG A 27 -2.687 31.227 -5.781 1.00 40.43 C ATOM 412 C ARG A 27 -1.358 31.638 -5.156 1.00 64.30 C ATOM 413 O ARG A 27 -1.325 32.342 -4.146 1.00 33.14 O ATOM 414 CB ARG A 27 -3.495 32.470 -6.159 1.00 5.30 C ATOM 415 CG ARG A 27 -2.905 33.248 -7.322 1.00 61.13 C ATOM 416 CD ARG A 27 -3.836 34.361 -7.779 1.00 24.42 C ATOM 417 NE ARG A 27 -4.051 35.357 -6.734 1.00 40.41 N ATOM 418 CZ ARG A 27 -4.862 36.400 -6.868 1.00 44.13 C ATOM 419 NH1 ARG A 27 -5.532 36.582 -7.998 1.00 21.21 N1+ ATOM 420 NH2 ARG A 27 -5.006 37.264 -5.871 1.00 21.32 N ATOM 0 H ARG A 27 -4.364 30.762 -4.610 1.00 50.31 H new ATOM 0 HA ARG A 27 -2.480 30.650 -6.682 1.00 40.43 H new ATOM 0 HB2 ARG A 27 -4.512 32.169 -6.412 1.00 5.30 H new ATOM 0 HB3 ARG A 27 -3.564 33.126 -5.291 1.00 5.30 H new ATOM 0 HG2 ARG A 27 -1.946 33.673 -7.027 1.00 61.13 H new ATOM 0 HG3 ARG A 27 -2.711 32.570 -8.153 1.00 61.13 H new ATOM 0 HD2 ARG A 27 -3.417 34.845 -8.661 1.00 24.42 H new ATOM 0 HD3 ARG A 27 -4.794 33.934 -8.075 1.00 24.42 H new ATOM 0 HE ARG A 27 -3.551 35.246 -5.852 1.00 40.41 H new ATOM 0 HH11 ARG A 27 -5.425 35.920 -8.767 1.00 21.21 H new ATOM 0 HH12 ARG A 27 -6.154 37.384 -8.098 1.00 21.21 H new ATOM 0 HH21 ARG A 27 -4.493 37.128 -5.000 1.00 21.32 H new ATOM 0 HH22 ARG A 27 -5.629 38.064 -5.976 1.00 21.32 H new ATOM 434 N CYS A 28 -0.262 31.195 -5.764 1.00 43.33 N ATOM 435 CA CYS A 28 1.071 31.518 -5.267 1.00 31.31 C ATOM 436 C CYS A 28 1.915 32.167 -6.360 1.00 63.13 C ATOM 437 O CYS A 28 1.557 32.138 -7.538 1.00 50.44 O ATOM 438 CB CYS A 28 1.765 30.253 -4.755 1.00 52.41 C ATOM 439 SG CYS A 28 1.929 28.938 -6.001 1.00 5.44 S ATOM 0 H CYS A 28 -0.271 30.612 -6.601 1.00 43.33 H new ATOM 0 HA CYS A 28 0.966 32.226 -4.445 1.00 31.31 H new ATOM 0 HB2 CYS A 28 2.757 30.519 -4.390 1.00 52.41 H new ATOM 0 HB3 CYS A 28 1.206 29.864 -3.904 1.00 52.41 H new ATOM 444 N THR A 29 3.039 32.755 -5.960 1.00 73.01 N ATOM 445 CA THR A 29 3.934 33.412 -6.903 1.00 32.12 C ATOM 446 C THR A 29 5.296 32.729 -6.936 1.00 33.55 C ATOM 447 O THR A 29 6.079 32.928 -7.865 1.00 51.13 O ATOM 448 CB THR A 29 4.127 34.900 -6.551 1.00 20.25 C ATOM 449 OG1 THR A 29 4.972 35.527 -7.521 1.00 30.25 O ATOM 450 CG2 THR A 29 4.735 35.052 -5.166 1.00 44.55 C ATOM 0 H THR A 29 3.350 32.789 -4.989 1.00 73.01 H new ATOM 0 HA THR A 29 3.469 33.336 -7.886 1.00 32.12 H new ATOM 0 HB THR A 29 3.150 35.383 -6.557 1.00 20.25 H new ATOM 0 HG1 THR A 29 5.586 34.863 -7.898 1.00 30.25 H new ATOM 0 HG21 THR A 29 4.862 36.110 -4.939 1.00 44.55 H new ATOM 0 HG22 THR A 29 4.074 34.599 -4.427 1.00 44.55 H new ATOM 0 HG23 THR A 29 5.705 34.556 -5.138 1.00 44.55 H new ATOM 458 N SER A 30 5.574 31.922 -5.916 1.00 63.54 N ATOM 459 CA SER A 30 6.844 31.213 -5.827 1.00 12.44 C ATOM 460 C SER A 30 6.659 29.851 -5.164 1.00 32.23 C ATOM 461 O SER A 30 5.891 29.712 -4.212 1.00 42.24 O ATOM 462 CB SER A 30 7.863 32.041 -5.042 1.00 1.42 C ATOM 463 OG SER A 30 7.664 33.428 -5.257 1.00 24.25 O ATOM 0 H SER A 30 4.936 31.744 -5.140 1.00 63.54 H new ATOM 0 HA SER A 30 7.217 31.058 -6.839 1.00 12.44 H new ATOM 0 HB2 SER A 30 7.776 31.818 -3.979 1.00 1.42 H new ATOM 0 HB3 SER A 30 8.873 31.764 -5.345 1.00 1.42 H new ATOM 0 HG SER A 30 8.326 33.937 -4.744 1.00 24.25 H new ATOM 469 N ALA A 31 7.369 28.851 -5.674 1.00 62.45 N ATOM 470 CA ALA A 31 7.287 27.500 -5.129 1.00 32.30 C ATOM 471 C ALA A 31 7.788 27.456 -3.689 1.00 10.12 C ATOM 472 O ALA A 31 7.300 26.670 -2.876 1.00 65.45 O ATOM 473 CB ALA A 31 8.080 26.532 -5.996 1.00 44.20 C ATOM 0 H ALA A 31 8.007 28.950 -6.463 1.00 62.45 H new ATOM 0 HA ALA A 31 6.240 27.198 -5.130 1.00 32.30 H new ATOM 0 HB1 ALA A 31 8.010 25.528 -5.578 1.00 44.20 H new ATOM 0 HB2 ALA A 31 7.674 26.533 -7.007 1.00 44.20 H new ATOM 0 HB3 ALA A 31 9.125 26.841 -6.024 1.00 44.20 H new ATOM 479 N ASP A 32 8.764 28.303 -3.381 1.00 12.20 N ATOM 480 CA ASP A 32 9.330 28.362 -2.040 1.00 73.45 C ATOM 481 C ASP A 32 8.238 28.575 -0.997 1.00 71.20 C ATOM 482 O ASP A 32 8.312 28.045 0.110 1.00 64.22 O ATOM 483 CB ASP A 32 10.366 29.483 -1.949 1.00 74.03 C ATOM 484 CG ASP A 32 11.387 29.240 -0.855 1.00 11.45 C ATOM 485 OD1 ASP A 32 10.976 29.026 0.305 1.00 51.42 O1- ATOM 486 OD2 ASP A 32 12.598 29.265 -1.158 1.00 52.31 O ATOM 0 H ASP A 32 9.179 28.958 -4.043 1.00 12.20 H new ATOM 0 HA ASP A 32 9.819 27.409 -1.837 1.00 73.45 H new ATOM 0 HB2 ASP A 32 10.879 29.578 -2.906 1.00 74.03 H new ATOM 0 HB3 ASP A 32 9.858 30.429 -1.764 1.00 74.03 H new ATOM 491 N GLN A 33 7.226 29.359 -1.360 1.00 13.05 N ATOM 492 CA GLN A 33 6.119 29.644 -0.455 1.00 61.53 C ATOM 493 C GLN A 33 5.159 28.462 -0.379 1.00 21.20 C ATOM 494 O GLN A 33 4.615 28.157 0.684 1.00 62.33 O ATOM 495 CB GLN A 33 5.370 30.897 -0.911 1.00 1.33 C ATOM 496 CG GLN A 33 6.122 32.190 -0.638 1.00 24.41 C ATOM 497 CD GLN A 33 6.744 32.779 -1.889 1.00 55.02 C ATOM 498 OE1 GLN A 33 7.963 32.927 -1.979 1.00 20.05 O ATOM 499 NE2 GLN A 33 5.908 33.119 -2.862 1.00 41.24 N ATOM 0 H GLN A 33 7.151 29.807 -2.273 1.00 13.05 H new ATOM 0 HA GLN A 33 6.531 29.817 0.539 1.00 61.53 H new ATOM 0 HB2 GLN A 33 5.170 30.822 -1.980 1.00 1.33 H new ATOM 0 HB3 GLN A 33 4.404 30.936 -0.408 1.00 1.33 H new ATOM 0 HG2 GLN A 33 5.439 32.917 -0.199 1.00 24.41 H new ATOM 0 HG3 GLN A 33 6.904 32.003 0.098 1.00 24.41 H new ATOM 0 HE21 GLN A 33 4.905 32.979 -2.744 1.00 41.24 H new ATOM 0 HE22 GLN A 33 6.269 33.521 -3.727 1.00 41.24 H new ATOM 508 N CYS A 34 4.953 27.799 -1.512 1.00 20.44 N ATOM 509 CA CYS A 34 4.058 26.650 -1.575 1.00 42.12 C ATOM 510 C CYS A 34 4.399 25.634 -0.489 1.00 14.23 C ATOM 511 O CYS A 34 5.538 25.176 -0.387 1.00 24.15 O ATOM 512 CB CYS A 34 4.140 25.989 -2.952 1.00 20.31 C ATOM 513 SG CYS A 34 3.269 24.392 -3.063 1.00 43.23 S ATOM 0 H CYS A 34 5.394 28.038 -2.400 1.00 20.44 H new ATOM 0 HA CYS A 34 3.040 27.004 -1.409 1.00 42.12 H new ATOM 0 HB2 CYS A 34 3.725 26.670 -3.695 1.00 20.31 H new ATOM 0 HB3 CYS A 34 5.188 25.838 -3.209 1.00 20.31 H new ATOM 518 N CYS A 35 3.404 25.285 0.320 1.00 63.44 N ATOM 519 CA CYS A 35 3.598 24.324 1.399 1.00 62.12 C ATOM 520 C CYS A 35 4.268 23.055 0.882 1.00 75.41 C ATOM 521 O CYS A 35 3.794 22.434 -0.070 1.00 52.33 O ATOM 522 CB CYS A 35 2.256 23.979 2.048 1.00 15.41 C ATOM 523 SG CYS A 35 1.517 25.345 2.999 1.00 54.35 S ATOM 0 H CYS A 35 2.456 25.653 0.249 1.00 63.44 H new ATOM 0 HA CYS A 35 4.249 24.778 2.146 1.00 62.12 H new ATOM 0 HB2 CYS A 35 1.557 23.672 1.270 1.00 15.41 H new ATOM 0 HB3 CYS A 35 2.394 23.123 2.709 1.00 15.41 H new ATOM 528 N ARG A 36 5.372 22.674 1.518 1.00 74.42 N ATOM 529 CA ARG A 36 6.107 21.479 1.123 1.00 31.31 C ATOM 530 C ARG A 36 5.377 20.217 1.573 1.00 11.50 C ATOM 531 O ARG A 36 4.534 20.245 2.470 1.00 64.44 O ATOM 532 CB ARG A 36 7.517 21.503 1.714 1.00 74.21 C ATOM 533 CG ARG A 36 8.544 22.171 0.815 1.00 33.43 C ATOM 534 CD ARG A 36 9.718 22.713 1.615 1.00 52.41 C ATOM 535 NE ARG A 36 10.313 23.889 0.986 1.00 64.13 N ATOM 536 CZ ARG A 36 9.772 25.101 1.037 1.00 24.21 C ATOM 537 NH1 ARG A 36 8.631 25.297 1.684 1.00 61.22 N1+ ATOM 538 NH2 ARG A 36 10.374 26.122 0.441 1.00 13.25 N ATOM 0 H ARG A 36 5.776 23.176 2.309 1.00 74.42 H new ATOM 0 HA ARG A 36 6.176 21.469 0.035 1.00 31.31 H new ATOM 0 HB2 ARG A 36 7.492 22.024 2.671 1.00 74.21 H new ATOM 0 HB3 ARG A 36 7.834 20.480 1.916 1.00 74.21 H new ATOM 0 HG2 ARG A 36 8.905 21.454 0.078 1.00 33.43 H new ATOM 0 HG3 ARG A 36 8.072 22.984 0.264 1.00 33.43 H new ATOM 0 HD2 ARG A 36 9.384 22.970 2.620 1.00 52.41 H new ATOM 0 HD3 ARG A 36 10.475 21.936 1.719 1.00 52.41 H new ATOM 0 HE ARG A 36 11.191 23.773 0.480 1.00 64.13 H new ATOM 0 HH11 ARG A 36 8.165 24.515 2.145 1.00 61.22 H new ATOM 0 HH12 ARG A 36 8.219 26.229 1.721 1.00 61.22 H new ATOM 0 HH21 ARG A 36 11.252 25.976 -0.057 1.00 13.25 H new ATOM 0 HH22 ARG A 36 9.958 27.053 0.480 1.00 13.25 H new ATOM 552 N PRO A 37 5.706 19.083 0.936 1.00 2.54 N ATOM 553 CA PRO A 37 5.093 17.789 1.254 1.00 73.11 C ATOM 554 C PRO A 37 5.524 17.265 2.618 1.00 25.00 C ATOM 555 O PRO A 37 6.639 17.528 3.072 1.00 22.30 O ATOM 556 CB PRO A 37 5.605 16.872 0.141 1.00 11.35 C ATOM 557 CG PRO A 37 6.885 17.492 -0.305 1.00 4.20 C ATOM 558 CD PRO A 37 6.703 18.976 -0.143 1.00 42.10 C ATOM 0 HA PRO A 37 4.006 17.853 1.305 1.00 73.11 H new ATOM 0 HB2 PRO A 37 5.763 15.857 0.506 1.00 11.35 H new ATOM 0 HB3 PRO A 37 4.890 16.808 -0.679 1.00 11.35 H new ATOM 0 HG2 PRO A 37 7.722 17.134 0.294 1.00 4.20 H new ATOM 0 HG3 PRO A 37 7.102 17.236 -1.342 1.00 4.20 H new ATOM 0 HD2 PRO A 37 7.638 19.469 0.124 1.00 42.10 H new ATOM 0 HD3 PRO A 37 6.350 19.440 -1.064 1.00 42.10 H new ATOM 566 N TYR A 38 4.636 16.521 3.268 1.00 62.25 N ATOM 567 CA TYR A 38 4.924 15.959 4.583 1.00 14.44 C ATOM 568 C TYR A 38 6.229 15.167 4.563 1.00 34.42 C ATOM 569 O TYR A 38 6.917 15.059 5.577 1.00 11.41 O ATOM 570 CB TYR A 38 3.775 15.061 5.040 1.00 22.13 C ATOM 571 CG TYR A 38 3.745 14.828 6.535 1.00 14.52 C ATOM 572 CD1 TYR A 38 4.693 14.021 7.150 1.00 30.11 C ATOM 573 CD2 TYR A 38 2.768 15.415 7.329 1.00 41.20 C ATOM 574 CE1 TYR A 38 4.669 13.804 8.514 1.00 14.55 C ATOM 575 CE2 TYR A 38 2.738 15.205 8.694 1.00 22.03 C ATOM 576 CZ TYR A 38 3.690 14.400 9.282 1.00 53.42 C ATOM 577 OH TYR A 38 3.662 14.187 10.642 1.00 22.44 O ATOM 0 H TYR A 38 3.710 16.293 2.906 1.00 62.25 H new ATOM 0 HA TYR A 38 5.032 16.784 5.287 1.00 14.44 H new ATOM 0 HB2 TYR A 38 2.830 15.509 4.732 1.00 22.13 H new ATOM 0 HB3 TYR A 38 3.853 14.099 4.532 1.00 22.13 H new ATOM 0 HD1 TYR A 38 5.462 13.555 6.552 1.00 30.11 H new ATOM 0 HD2 TYR A 38 2.020 16.046 6.872 1.00 41.20 H new ATOM 0 HE1 TYR A 38 5.412 13.171 8.977 1.00 14.55 H new ATOM 0 HE2 TYR A 38 1.972 15.669 9.298 1.00 22.03 H new ATOM 0 HH TYR A 38 2.911 14.679 11.035 1.00 22.44 H new ATOM 587 N ASP A 39 6.559 14.615 3.401 1.00 32.30 N ATOM 588 CA ASP A 39 7.780 13.835 3.246 1.00 33.55 C ATOM 589 C ASP A 39 8.442 14.119 1.901 1.00 15.11 C ATOM 590 O ASP A 39 8.069 13.544 0.879 1.00 13.04 O ATOM 591 CB ASP A 39 7.475 12.340 3.371 1.00 24.25 C ATOM 592 CG ASP A 39 7.377 11.889 4.815 1.00 54.15 C ATOM 593 OD1 ASP A 39 8.027 12.515 5.678 1.00 23.30 O1- ATOM 594 OD2 ASP A 39 6.653 10.906 5.081 1.00 4.51 O ATOM 0 H ASP A 39 5.998 14.693 2.553 1.00 32.30 H new ATOM 0 HA ASP A 39 8.469 14.127 4.038 1.00 33.55 H new ATOM 0 HB2 ASP A 39 6.538 12.119 2.860 1.00 24.25 H new ATOM 0 HB3 ASP A 39 8.255 11.769 2.867 1.00 24.25 H new ATOM 599 N THR A 40 9.426 15.013 1.909 1.00 42.33 N ATOM 600 CA THR A 40 10.137 15.378 0.691 1.00 51.22 C ATOM 601 C THR A 40 10.755 14.151 0.026 1.00 5.24 C ATOM 602 O THR A 40 10.978 14.133 -1.184 1.00 55.42 O ATOM 603 CB THR A 40 11.248 16.406 0.975 1.00 52.44 C ATOM 604 OG1 THR A 40 11.908 16.087 2.205 1.00 3.03 O ATOM 605 CG2 THR A 40 10.676 17.813 1.051 1.00 32.04 C ATOM 0 H THR A 40 9.748 15.498 2.747 1.00 42.33 H new ATOM 0 HA THR A 40 9.403 15.823 0.019 1.00 51.22 H new ATOM 0 HB THR A 40 11.967 16.367 0.157 1.00 52.44 H new ATOM 0 HG1 THR A 40 12.614 16.744 2.377 1.00 3.03 H new ATOM 0 HG21 THR A 40 11.479 18.522 1.252 1.00 32.04 H new ATOM 0 HG22 THR A 40 10.200 18.064 0.103 1.00 32.04 H new ATOM 0 HG23 THR A 40 9.938 17.863 1.852 1.00 32.04 H new ATOM 613 N THR A 41 11.029 13.125 0.827 1.00 61.40 N ATOM 614 CA THR A 41 11.620 11.896 0.318 1.00 21.31 C ATOM 615 C THR A 41 10.603 11.084 -0.479 1.00 74.10 C ATOM 616 O THR A 41 10.968 10.199 -1.252 1.00 32.32 O ATOM 617 CB THR A 41 12.172 11.022 1.459 1.00 11.20 C ATOM 618 OG1 THR A 41 11.128 10.711 2.387 1.00 50.03 O ATOM 619 CG2 THR A 41 13.307 11.732 2.182 1.00 40.10 C ATOM 0 H THR A 41 10.850 13.123 1.831 1.00 61.40 H new ATOM 0 HA THR A 41 12.441 12.190 -0.336 1.00 21.31 H new ATOM 0 HB THR A 41 12.559 10.099 1.027 1.00 11.20 H new ATOM 0 HG1 THR A 41 11.487 10.153 3.109 1.00 50.03 H new ATOM 0 HG21 THR A 41 13.682 11.096 2.984 1.00 40.10 H new ATOM 0 HG22 THR A 41 14.113 11.941 1.478 1.00 40.10 H new ATOM 0 HG23 THR A 41 12.941 12.669 2.603 1.00 40.10 H new ATOM 627 N ALA A 42 9.325 11.395 -0.287 1.00 33.42 N ATOM 628 CA ALA A 42 8.255 10.696 -0.989 1.00 33.24 C ATOM 629 C ALA A 42 7.299 11.684 -1.652 1.00 22.22 C ATOM 630 O ALA A 42 6.146 11.355 -1.926 1.00 41.33 O ATOM 631 CB ALA A 42 7.500 9.788 -0.031 1.00 72.43 C ATOM 0 H ALA A 42 9.006 12.126 0.349 1.00 33.42 H new ATOM 0 HA ALA A 42 8.704 10.084 -1.771 1.00 33.24 H new ATOM 0 HB1 ALA A 42 6.704 9.273 -0.569 1.00 72.43 H new ATOM 0 HB2 ALA A 42 8.186 9.054 0.392 1.00 72.43 H new ATOM 0 HB3 ALA A 42 7.068 10.385 0.772 1.00 72.43 H new ATOM 637 N ALA A 43 7.787 12.893 -1.905 1.00 12.24 N ATOM 638 CA ALA A 43 6.975 13.927 -2.536 1.00 72.33 C ATOM 639 C ALA A 43 7.779 15.204 -2.747 1.00 51.10 C ATOM 640 O ALA A 43 8.858 15.372 -2.178 1.00 33.12 O ATOM 641 CB ALA A 43 5.739 14.213 -1.695 1.00 43.44 C ATOM 0 H ALA A 43 8.740 13.181 -1.683 1.00 12.24 H new ATOM 0 HA ALA A 43 6.661 13.561 -3.513 1.00 72.33 H new ATOM 0 HB1 ALA A 43 5.142 14.987 -2.177 1.00 43.44 H new ATOM 0 HB2 ALA A 43 5.146 13.304 -1.599 1.00 43.44 H new ATOM 0 HB3 ALA A 43 6.043 14.554 -0.705 1.00 43.44 H new ATOM 647 N PHE A 44 7.249 16.103 -3.569 1.00 14.41 N ATOM 648 CA PHE A 44 7.920 17.366 -3.859 1.00 61.30 C ATOM 649 C PHE A 44 6.925 18.522 -3.862 1.00 33.54 C ATOM 650 O PHE A 44 5.713 18.312 -3.801 1.00 25.14 O ATOM 651 CB PHE A 44 8.637 17.290 -5.208 1.00 4.30 C ATOM 652 CG PHE A 44 7.735 16.906 -6.345 1.00 44.33 C ATOM 653 CD1 PHE A 44 7.415 15.578 -6.575 1.00 14.45 C ATOM 654 CD2 PHE A 44 7.205 17.873 -7.185 1.00 25.23 C ATOM 655 CE1 PHE A 44 6.584 15.221 -7.621 1.00 52.44 C ATOM 656 CE2 PHE A 44 6.374 17.522 -8.232 1.00 31.10 C ATOM 657 CZ PHE A 44 6.064 16.194 -8.450 1.00 44.43 C ATOM 0 H PHE A 44 6.356 15.981 -4.047 1.00 14.41 H new ATOM 0 HA PHE A 44 8.656 17.546 -3.075 1.00 61.30 H new ATOM 0 HB2 PHE A 44 9.090 18.257 -5.425 1.00 4.30 H new ATOM 0 HB3 PHE A 44 9.449 16.566 -5.139 1.00 4.30 H new ATOM 0 HD1 PHE A 44 7.819 14.812 -5.930 1.00 14.45 H new ATOM 0 HD2 PHE A 44 7.444 18.913 -7.019 1.00 25.23 H new ATOM 0 HE1 PHE A 44 6.342 14.182 -7.789 1.00 52.44 H new ATOM 0 HE2 PHE A 44 5.968 18.285 -8.879 1.00 31.10 H new ATOM 0 HZ PHE A 44 5.416 15.917 -9.268 1.00 44.43 H new ATOM 667 N HIS A 45 7.445 19.743 -3.935 1.00 30.01 N ATOM 668 CA HIS A 45 6.602 20.934 -3.947 1.00 13.52 C ATOM 669 C HIS A 45 6.845 21.758 -5.209 1.00 32.25 C ATOM 670 O HIS A 45 7.794 21.509 -5.951 1.00 34.05 O ATOM 671 CB HIS A 45 6.871 21.787 -2.707 1.00 41.02 C ATOM 672 CG HIS A 45 8.150 22.561 -2.779 1.00 44.22 C ATOM 673 ND1 HIS A 45 9.364 22.049 -2.374 1.00 74.21 N ATOM 674 CD2 HIS A 45 8.399 23.820 -3.213 1.00 33.33 C ATOM 675 CE1 HIS A 45 10.306 22.959 -2.555 1.00 71.35 C ATOM 676 NE2 HIS A 45 9.747 24.041 -3.063 1.00 4.31 N ATOM 0 H HIS A 45 8.446 19.934 -3.987 1.00 30.01 H new ATOM 0 HA HIS A 45 5.560 20.613 -3.939 1.00 13.52 H new ATOM 0 HB2 HIS A 45 6.043 22.482 -2.567 1.00 41.02 H new ATOM 0 HB3 HIS A 45 6.896 21.140 -1.830 1.00 41.02 H new ATOM 0 HD2 HIS A 45 7.674 24.519 -3.604 1.00 33.33 H new ATOM 0 HE1 HIS A 45 11.354 22.837 -2.326 1.00 71.35 H new ATOM 0 HE2 HIS A 45 10.236 24.902 -3.305 1.00 4.31 H new ATOM 684 N GLY A 46 5.981 22.741 -5.443 1.00 15.53 N ATOM 685 CA GLY A 46 6.117 23.585 -6.615 1.00 51.15 C ATOM 686 C GLY A 46 4.887 24.435 -6.865 1.00 30.33 C ATOM 687 O GLY A 46 3.824 24.183 -6.297 1.00 1.11 O ATOM 0 H GLY A 46 5.189 22.968 -4.841 1.00 15.53 H new ATOM 0 HA2 GLY A 46 6.984 24.234 -6.493 1.00 51.15 H new ATOM 0 HA3 GLY A 46 6.307 22.961 -7.488 1.00 51.15 H new ATOM 691 N CYS A 47 5.032 25.447 -7.714 1.00 73.31 N ATOM 692 CA CYS A 47 3.925 26.339 -8.035 1.00 12.40 C ATOM 693 C CYS A 47 3.572 26.254 -9.518 1.00 61.22 C ATOM 694 O CYS A 47 4.408 26.515 -10.382 1.00 61.52 O ATOM 695 CB CYS A 47 4.279 27.780 -7.666 1.00 0.44 C ATOM 696 SG CYS A 47 3.800 28.253 -5.973 1.00 52.01 S ATOM 0 H CYS A 47 5.905 25.669 -8.192 1.00 73.31 H new ATOM 0 HA CYS A 47 3.058 26.026 -7.453 1.00 12.40 H new ATOM 0 HB2 CYS A 47 5.354 27.919 -7.780 1.00 0.44 H new ATOM 0 HB3 CYS A 47 3.793 28.454 -8.371 1.00 0.44 H new ATOM 701 N GLY A 48 2.327 25.889 -9.805 1.00 51.40 N ATOM 702 CA GLY A 48 1.885 25.777 -11.183 1.00 22.12 C ATOM 703 C GLY A 48 0.484 25.210 -11.298 1.00 74.05 C ATOM 704 O GLY A 48 -0.307 25.294 -10.358 1.00 74.34 O ATOM 0 H GLY A 48 1.616 25.669 -9.108 1.00 51.40 H new ATOM 0 HA2 GLY A 48 1.915 26.760 -11.652 1.00 22.12 H new ATOM 0 HA3 GLY A 48 2.578 25.140 -11.733 1.00 22.12 H new ATOM 708 N ARG A 49 0.173 24.633 -12.454 1.00 34.44 N ATOM 709 CA ARG A 49 -1.143 24.053 -12.690 1.00 43.42 C ATOM 710 C ARG A 49 -1.023 22.617 -13.193 1.00 72.42 C ATOM 711 O ARG A 49 -0.291 22.341 -14.144 1.00 32.25 O ATOM 712 CB ARG A 49 -1.920 24.896 -13.703 1.00 63.11 C ATOM 713 CG ARG A 49 -2.313 26.268 -13.180 1.00 51.12 C ATOM 714 CD ARG A 49 -2.146 27.338 -14.246 1.00 22.53 C ATOM 715 NE ARG A 49 -2.712 26.929 -15.528 1.00 64.14 N ATOM 716 CZ ARG A 49 -2.406 27.505 -16.686 1.00 64.40 C ATOM 717 NH1 ARG A 49 -1.544 28.511 -16.722 1.00 71.52 N1+ ATOM 718 NH2 ARG A 49 -2.964 27.075 -17.810 1.00 63.11 N ATOM 0 H ARG A 49 0.815 24.555 -13.242 1.00 34.44 H new ATOM 0 HA ARG A 49 -1.683 24.044 -11.743 1.00 43.42 H new ATOM 0 HB2 ARG A 49 -1.315 25.019 -14.601 1.00 63.11 H new ATOM 0 HB3 ARG A 49 -2.821 24.357 -13.997 1.00 63.11 H new ATOM 0 HG2 ARG A 49 -3.349 26.247 -12.843 1.00 51.12 H new ATOM 0 HG3 ARG A 49 -1.701 26.517 -12.313 1.00 51.12 H new ATOM 0 HD2 ARG A 49 -2.628 28.258 -13.914 1.00 22.53 H new ATOM 0 HD3 ARG A 49 -1.087 27.561 -14.373 1.00 22.53 H new ATOM 0 HE ARG A 49 -3.380 26.158 -15.535 1.00 64.14 H new ATOM 0 HH11 ARG A 49 -1.114 28.845 -15.860 1.00 71.52 H new ATOM 0 HH12 ARG A 49 -1.311 28.951 -17.612 1.00 71.52 H new ATOM 0 HH21 ARG A 49 -3.629 26.302 -17.786 1.00 63.11 H new ATOM 0 HH22 ARG A 49 -2.728 27.518 -18.698 1.00 63.11 H new ATOM 732 N ILE A 50 -1.745 21.707 -12.547 1.00 45.20 N ATOM 733 CA ILE A 50 -1.719 20.301 -12.929 1.00 24.22 C ATOM 734 C ILE A 50 -3.093 19.833 -13.397 1.00 32.02 C ATOM 735 O ILE A 50 -3.207 18.885 -14.174 1.00 4.22 O ATOM 736 CB ILE A 50 -1.256 19.409 -11.762 1.00 43.24 C ATOM 737 CG1 ILE A 50 -1.993 19.791 -10.476 1.00 33.24 C ATOM 738 CG2 ILE A 50 0.249 19.525 -11.572 1.00 11.30 C ATOM 739 CD1 ILE A 50 -2.085 18.662 -9.475 1.00 33.13 C ATOM 0 H ILE A 50 -2.355 21.919 -11.757 1.00 45.20 H new ATOM 0 HA ILE A 50 -1.007 20.210 -13.750 1.00 24.22 H new ATOM 0 HB ILE A 50 -1.493 18.372 -12.000 1.00 43.24 H new ATOM 0 HG12 ILE A 50 -1.484 20.636 -10.013 1.00 33.24 H new ATOM 0 HG13 ILE A 50 -2.999 20.125 -10.729 1.00 33.24 H new ATOM 0 HG21 ILE A 50 0.561 18.889 -10.744 1.00 11.30 H new ATOM 0 HG22 ILE A 50 0.756 19.209 -12.484 1.00 11.30 H new ATOM 0 HG23 ILE A 50 0.509 20.560 -11.352 1.00 11.30 H new ATOM 0 HD11 ILE A 50 -2.619 19.004 -8.589 1.00 33.13 H new ATOM 0 HD12 ILE A 50 -2.620 17.823 -9.920 1.00 33.13 H new ATOM 0 HD13 ILE A 50 -1.082 18.343 -9.193 1.00 33.13 H new ATOM 751 N TRP A 51 -4.135 20.506 -12.919 1.00 65.10 N ATOM 752 CA TRP A 51 -5.502 20.161 -13.292 1.00 64.31 C ATOM 753 C TRP A 51 -6.040 21.121 -14.348 1.00 21.13 C ATOM 754 O TRP A 51 -5.587 22.259 -14.473 1.00 63.40 O ATOM 755 CB TRP A 51 -6.408 20.181 -12.059 1.00 25.32 C ATOM 756 CG TRP A 51 -6.086 19.104 -11.067 1.00 35.44 C ATOM 757 CD1 TRP A 51 -5.317 19.226 -9.946 1.00 65.11 C ATOM 758 CD2 TRP A 51 -6.524 17.742 -11.109 1.00 50.02 C ATOM 759 NE1 TRP A 51 -5.249 18.021 -9.288 1.00 72.11 N ATOM 760 CE2 TRP A 51 -5.982 17.095 -9.982 1.00 35.13 C ATOM 761 CE3 TRP A 51 -7.322 17.006 -11.989 1.00 1.24 C ATOM 762 CZ2 TRP A 51 -6.213 15.747 -9.714 1.00 0.23 C ATOM 763 CZ3 TRP A 51 -7.549 15.669 -11.722 1.00 32.24 C ATOM 764 CH2 TRP A 51 -6.998 15.051 -10.591 1.00 32.35 C ATOM 0 H TRP A 51 -4.059 21.292 -12.274 1.00 65.10 H new ATOM 0 HA TRP A 51 -5.493 19.156 -13.714 1.00 64.31 H new ATOM 0 HB2 TRP A 51 -6.323 21.152 -11.571 1.00 25.32 H new ATOM 0 HB3 TRP A 51 -7.445 20.074 -12.377 1.00 25.32 H new ATOM 0 HD1 TRP A 51 -4.833 20.136 -9.623 1.00 65.11 H new ATOM 0 HE1 TRP A 51 -4.736 17.845 -8.424 1.00 72.11 H new ATOM 0 HE3 TRP A 51 -7.753 17.473 -12.862 1.00 1.24 H new ATOM 0 HZ2 TRP A 51 -5.787 15.269 -8.844 1.00 0.23 H new ATOM 0 HZ3 TRP A 51 -8.162 15.090 -12.397 1.00 32.24 H new ATOM 0 HH2 TRP A 51 -7.197 14.005 -10.409 1.00 32.35 H new ATOM 775 N PRO A 52 -7.027 20.654 -15.126 1.00 33.22 N ATOM 776 CA PRO A 52 -7.646 21.456 -16.184 1.00 11.42 C ATOM 777 C PRO A 52 -8.491 22.597 -15.629 1.00 61.34 C ATOM 778 O PRO A 52 -8.580 23.667 -16.229 1.00 42.35 O ATOM 779 CB PRO A 52 -8.530 20.447 -16.923 1.00 73.34 C ATOM 780 CG PRO A 52 -8.831 19.396 -15.911 1.00 72.40 C ATOM 781 CD PRO A 52 -7.615 19.307 -15.032 1.00 33.43 C ATOM 0 HA PRO A 52 -6.901 21.937 -16.818 1.00 11.42 H new ATOM 0 HB2 PRO A 52 -9.443 20.915 -17.291 1.00 73.34 H new ATOM 0 HB3 PRO A 52 -8.015 20.028 -17.788 1.00 73.34 H new ATOM 0 HG2 PRO A 52 -9.715 19.657 -15.329 1.00 72.40 H new ATOM 0 HG3 PRO A 52 -9.036 18.439 -16.391 1.00 72.40 H new ATOM 0 HD2 PRO A 52 -7.879 19.055 -14.005 1.00 33.43 H new ATOM 0 HD3 PRO A 52 -6.922 18.541 -15.381 1.00 33.43 H new ATOM 789 N LYS A 53 -9.112 22.361 -14.476 1.00 42.35 N ATOM 790 CA LYS A 53 -9.949 23.368 -13.837 1.00 54.32 C ATOM 791 C LYS A 53 -9.176 24.669 -13.635 1.00 33.53 C ATOM 792 O LYS A 53 -9.713 25.757 -13.844 1.00 74.30 O ATOM 793 CB LYS A 53 -10.463 22.855 -12.490 1.00 22.44 C ATOM 794 CG LYS A 53 -11.789 22.120 -12.586 1.00 55.12 C ATOM 795 CD LYS A 53 -12.595 22.256 -11.304 1.00 65.22 C ATOM 796 CE LYS A 53 -13.136 23.667 -11.133 1.00 22.10 C ATOM 797 NZ LYS A 53 -14.240 23.719 -10.135 1.00 32.33 N1+ ATOM 0 H LYS A 53 -9.050 21.480 -13.966 1.00 42.35 H new ATOM 0 HA LYS A 53 -10.798 23.567 -14.491 1.00 54.32 H new ATOM 0 HB2 LYS A 53 -9.718 22.188 -12.056 1.00 22.44 H new ATOM 0 HB3 LYS A 53 -10.573 23.698 -11.807 1.00 22.44 H new ATOM 0 HG2 LYS A 53 -12.365 22.514 -13.423 1.00 55.12 H new ATOM 0 HG3 LYS A 53 -11.608 21.065 -12.793 1.00 55.12 H new ATOM 0 HD2 LYS A 53 -13.423 21.547 -11.316 1.00 65.22 H new ATOM 0 HD3 LYS A 53 -11.968 21.999 -10.450 1.00 65.22 H new ATOM 0 HE2 LYS A 53 -12.330 24.330 -10.818 1.00 22.10 H new ATOM 0 HE3 LYS A 53 -13.496 24.037 -12.093 1.00 22.10 H new ATOM 0 HZ1 LYS A 53 -14.582 24.697 -10.046 1.00 32.33 H new ATOM 0 HZ2 LYS A 53 -15.020 23.106 -10.448 1.00 32.33 H new ATOM 0 HZ3 LYS A 53 -13.890 23.390 -9.213 1.00 32.33 H new ATOM 811 N ASP A 54 -7.917 24.547 -13.232 1.00 52.15 N ATOM 812 CA ASP A 54 -7.072 25.714 -13.004 1.00 1.22 C ATOM 813 C ASP A 54 -6.604 26.311 -14.327 1.00 22.44 C ATOM 814 O ASP A 54 -6.355 27.514 -14.424 1.00 3.21 O ATOM 815 CB ASP A 54 -5.862 25.334 -12.147 1.00 23.13 C ATOM 816 CG ASP A 54 -6.254 24.930 -10.740 1.00 24.34 C ATOM 817 OD1 ASP A 54 -7.099 25.625 -10.136 1.00 70.21 O1- ATOM 818 OD2 ASP A 54 -5.719 23.918 -10.242 1.00 52.31 O ATOM 0 H ASP A 54 -7.459 23.653 -13.056 1.00 52.15 H new ATOM 0 HA ASP A 54 -7.662 26.462 -12.475 1.00 1.22 H new ATOM 0 HB2 ASP A 54 -5.327 24.512 -12.622 1.00 23.13 H new ATOM 0 HB3 ASP A 54 -5.173 26.178 -12.101 1.00 23.13 H new ATOM 823 N LYS A 55 -6.486 25.465 -15.345 1.00 0.11 N ATOM 824 CA LYS A 55 -6.050 25.908 -16.663 1.00 71.30 C ATOM 825 C LYS A 55 -7.071 26.857 -17.284 1.00 30.04 C ATOM 826 O LYS A 55 -6.708 27.803 -17.983 1.00 33.44 O ATOM 827 CB LYS A 55 -5.831 24.704 -17.583 1.00 4.34 C ATOM 828 CG LYS A 55 -5.520 25.084 -19.019 1.00 61.13 C ATOM 829 CD LYS A 55 -6.550 24.518 -19.982 1.00 32.24 C ATOM 830 CE LYS A 55 -6.768 25.441 -21.172 1.00 73.20 C ATOM 831 NZ LYS A 55 -6.649 24.715 -22.466 1.00 23.02 N1+ ATOM 0 H LYS A 55 -6.687 24.467 -15.282 1.00 0.11 H new ATOM 0 HA LYS A 55 -5.108 26.443 -16.545 1.00 71.30 H new ATOM 0 HB2 LYS A 55 -5.012 24.102 -17.190 1.00 4.34 H new ATOM 0 HB3 LYS A 55 -6.723 24.078 -17.567 1.00 4.34 H new ATOM 0 HG2 LYS A 55 -5.493 26.170 -19.111 1.00 61.13 H new ATOM 0 HG3 LYS A 55 -4.529 24.716 -19.287 1.00 61.13 H new ATOM 0 HD2 LYS A 55 -6.222 23.540 -20.334 1.00 32.24 H new ATOM 0 HD3 LYS A 55 -7.494 24.368 -19.459 1.00 32.24 H new ATOM 0 HE2 LYS A 55 -7.755 25.898 -21.101 1.00 73.20 H new ATOM 0 HE3 LYS A 55 -6.039 26.251 -21.142 1.00 73.20 H new ATOM 0 HZ1 LYS A 55 -6.804 25.378 -23.252 1.00 23.02 H new ATOM 0 HZ2 LYS A 55 -5.699 24.300 -22.545 1.00 23.02 H new ATOM 0 HZ3 LYS A 55 -7.361 23.958 -22.506 1.00 23.02 H new ATOM 845 N ARG A 56 -8.348 26.596 -17.023 1.00 42.23 N ATOM 846 CA ARG A 56 -9.421 27.427 -17.557 1.00 60.15 C ATOM 847 C ARG A 56 -9.393 28.819 -16.931 1.00 33.12 C ATOM 848 O ARG A 56 -9.850 29.789 -17.534 1.00 23.12 O ATOM 849 CB ARG A 56 -10.778 26.769 -17.304 1.00 63.23 C ATOM 850 CG ARG A 56 -10.809 25.287 -17.642 1.00 4.43 C ATOM 851 CD ARG A 56 -12.182 24.857 -18.132 1.00 71.40 C ATOM 852 NE ARG A 56 -13.099 24.587 -17.026 1.00 11.52 N ATOM 853 CZ ARG A 56 -14.420 24.563 -17.156 1.00 41.21 C ATOM 854 NH1 ARG A 56 -14.977 24.789 -18.338 1.00 51.32 N1+ ATOM 855 NH2 ARG A 56 -15.187 24.311 -16.103 1.00 63.40 N ATOM 0 H ARG A 56 -8.665 25.817 -16.446 1.00 42.23 H new ATOM 0 HA ARG A 56 -9.269 27.528 -18.632 1.00 60.15 H new ATOM 0 HB2 ARG A 56 -11.046 26.900 -16.255 1.00 63.23 H new ATOM 0 HB3 ARG A 56 -11.537 27.283 -17.893 1.00 63.23 H new ATOM 0 HG2 ARG A 56 -10.064 25.072 -18.408 1.00 4.43 H new ATOM 0 HG3 ARG A 56 -10.537 24.706 -16.761 1.00 4.43 H new ATOM 0 HD2 ARG A 56 -12.601 25.637 -18.768 1.00 71.40 H new ATOM 0 HD3 ARG A 56 -12.083 23.963 -18.748 1.00 71.40 H new ATOM 0 HE ARG A 56 -12.702 24.407 -16.104 1.00 11.52 H new ATOM 0 HH11 ARG A 56 -14.390 24.982 -19.150 1.00 51.32 H new ATOM 0 HH12 ARG A 56 -15.992 24.770 -18.435 1.00 51.32 H new ATOM 0 HH21 ARG A 56 -14.762 24.136 -15.193 1.00 63.40 H new ATOM 0 HH22 ARG A 56 -16.202 24.293 -16.204 1.00 63.40 H new ATOM 869 N GLU A 57 -8.855 28.906 -15.719 1.00 1.14 N ATOM 870 CA GLU A 57 -8.772 30.178 -15.011 1.00 73.50 C ATOM 871 C GLU A 57 -7.442 30.871 -15.295 1.00 75.12 C ATOM 872 O GLU A 57 -7.317 32.087 -15.141 1.00 65.11 O ATOM 873 CB GLU A 57 -8.933 29.962 -13.504 1.00 24.12 C ATOM 874 CG GLU A 57 -10.369 29.701 -13.078 1.00 62.23 C ATOM 875 CD GLU A 57 -10.554 29.782 -11.575 1.00 4.11 C ATOM 876 OE1 GLU A 57 -9.936 30.666 -10.947 1.00 2.34 O ATOM 877 OE2 GLU A 57 -11.318 28.959 -11.027 1.00 34.10 O1- ATOM 0 H GLU A 57 -8.470 28.112 -15.207 1.00 1.14 H new ATOM 0 HA GLU A 57 -9.581 30.816 -15.368 1.00 73.50 H new ATOM 0 HB2 GLU A 57 -8.313 29.120 -13.198 1.00 24.12 H new ATOM 0 HB3 GLU A 57 -8.560 30.840 -12.977 1.00 24.12 H new ATOM 0 HG2 GLU A 57 -11.025 30.425 -13.561 1.00 62.23 H new ATOM 0 HG3 GLU A 57 -10.674 28.714 -13.425 1.00 62.23 H new ATOM 884 N LYS A 58 -6.451 30.090 -15.710 1.00 50.53 N ATOM 885 CA LYS A 58 -5.131 30.627 -16.018 1.00 42.02 C ATOM 886 C LYS A 58 -4.511 31.282 -14.789 1.00 73.23 C ATOM 887 O LYS A 58 -4.247 32.486 -14.782 1.00 73.04 O ATOM 888 CB LYS A 58 -5.223 31.642 -17.160 1.00 61.50 C ATOM 889 CG LYS A 58 -5.859 31.083 -18.420 1.00 44.31 C ATOM 890 CD LYS A 58 -4.813 30.750 -19.471 1.00 22.35 C ATOM 891 CE LYS A 58 -4.426 29.280 -19.425 1.00 42.41 C ATOM 892 NZ LYS A 58 -5.191 28.473 -20.415 1.00 3.31 N1+ ATOM 0 H LYS A 58 -6.537 29.082 -15.841 1.00 50.53 H new ATOM 0 HA LYS A 58 -4.493 29.800 -16.328 1.00 42.02 H new ATOM 0 HB2 LYS A 58 -5.800 32.504 -16.824 1.00 61.50 H new ATOM 0 HB3 LYS A 58 -4.222 32.001 -17.397 1.00 61.50 H new ATOM 0 HG2 LYS A 58 -6.428 30.186 -18.175 1.00 44.31 H new ATOM 0 HG3 LYS A 58 -6.565 31.808 -18.825 1.00 44.31 H new ATOM 0 HD2 LYS A 58 -5.199 30.995 -20.461 1.00 22.35 H new ATOM 0 HD3 LYS A 58 -3.928 31.366 -19.313 1.00 22.35 H new ATOM 0 HE2 LYS A 58 -3.359 29.179 -19.622 1.00 42.41 H new ATOM 0 HE3 LYS A 58 -4.604 28.889 -18.423 1.00 42.41 H new ATOM 0 HZ1 LYS A 58 -4.595 27.696 -20.764 1.00 3.31 H new ATOM 0 HZ2 LYS A 58 -6.040 28.080 -19.961 1.00 3.31 H new ATOM 0 HZ3 LYS A 58 -5.473 29.078 -21.212 1.00 3.31 H new ATOM 906 N VAL A 59 -4.279 30.485 -13.751 1.00 2.35 N ATOM 907 CA VAL A 59 -3.686 30.989 -12.518 1.00 3.13 C ATOM 908 C VAL A 59 -2.838 29.919 -11.839 1.00 32.04 C ATOM 909 O VAL A 59 -3.295 28.798 -11.617 1.00 24.43 O ATOM 910 CB VAL A 59 -4.768 31.473 -11.533 1.00 0.14 C ATOM 911 CG1 VAL A 59 -5.715 30.336 -11.180 1.00 75.04 C ATOM 912 CG2 VAL A 59 -4.127 32.049 -10.280 1.00 61.33 C ATOM 0 H VAL A 59 -4.493 29.488 -13.739 1.00 2.35 H new ATOM 0 HA VAL A 59 -3.051 31.831 -12.792 1.00 3.13 H new ATOM 0 HB VAL A 59 -5.347 32.261 -12.014 1.00 0.14 H new ATOM 0 HG11 VAL A 59 -6.472 30.696 -10.484 1.00 75.04 H new ATOM 0 HG12 VAL A 59 -6.199 29.971 -12.086 1.00 75.04 H new ATOM 0 HG13 VAL A 59 -5.153 29.525 -10.717 1.00 75.04 H new ATOM 0 HG21 VAL A 59 -4.905 32.386 -9.595 1.00 61.33 H new ATOM 0 HG22 VAL A 59 -3.524 31.282 -9.794 1.00 61.33 H new ATOM 0 HG23 VAL A 59 -3.492 32.892 -10.551 1.00 61.33 H new ATOM 922 N ASP A 60 -1.600 30.273 -11.511 1.00 14.15 N ATOM 923 CA ASP A 60 -0.688 29.344 -10.856 1.00 22.51 C ATOM 924 C ASP A 60 -0.994 29.243 -9.364 1.00 13.20 C ATOM 925 O ASP A 60 -1.187 30.254 -8.691 1.00 44.21 O ATOM 926 CB ASP A 60 0.761 29.787 -11.061 1.00 60.44 C ATOM 927 CG ASP A 60 1.166 29.783 -12.523 1.00 44.41 C ATOM 928 OD1 ASP A 60 0.681 30.654 -13.275 1.00 45.21 O ATOM 929 OD2 ASP A 60 1.965 28.908 -12.915 1.00 43.53 O1- ATOM 0 H ASP A 60 -1.206 31.197 -11.688 1.00 14.15 H new ATOM 0 HA ASP A 60 -0.827 28.361 -11.306 1.00 22.51 H new ATOM 0 HB2 ASP A 60 0.893 30.789 -10.653 1.00 60.44 H new ATOM 0 HB3 ASP A 60 1.423 29.126 -10.502 1.00 60.44 H new ATOM 934 N ARG A 61 -1.035 28.015 -8.855 1.00 3.03 N ATOM 935 CA ARG A 61 -1.321 27.782 -7.444 1.00 14.00 C ATOM 936 C ARG A 61 -0.419 26.685 -6.883 1.00 1.23 C ATOM 937 O ARG A 61 0.165 25.902 -7.632 1.00 63.34 O ATOM 938 CB ARG A 61 -2.789 27.397 -7.256 1.00 5.22 C ATOM 939 CG ARG A 61 -3.759 28.336 -7.956 1.00 53.15 C ATOM 940 CD ARG A 61 -5.073 28.443 -7.197 1.00 54.13 C ATOM 941 NE ARG A 61 -5.997 27.370 -7.551 1.00 11.11 N ATOM 942 CZ ARG A 61 -7.274 27.346 -7.182 1.00 44.10 C ATOM 943 NH1 ARG A 61 -7.774 28.335 -6.452 1.00 75.50 N1+ ATOM 944 NH2 ARG A 61 -8.051 26.335 -7.542 1.00 12.20 N ATOM 0 H ARG A 61 -0.874 27.167 -9.398 1.00 3.03 H new ATOM 0 HA ARG A 61 -1.124 28.706 -6.900 1.00 14.00 H new ATOM 0 HB2 ARG A 61 -2.941 26.385 -7.631 1.00 5.22 H new ATOM 0 HB3 ARG A 61 -3.018 27.380 -6.190 1.00 5.22 H new ATOM 0 HG2 ARG A 61 -3.309 29.324 -8.048 1.00 53.15 H new ATOM 0 HG3 ARG A 61 -3.949 27.977 -8.967 1.00 53.15 H new ATOM 0 HD2 ARG A 61 -4.876 28.413 -6.125 1.00 54.13 H new ATOM 0 HD3 ARG A 61 -5.537 29.406 -7.409 1.00 54.13 H new ATOM 0 HE ARG A 61 -5.643 26.596 -8.113 1.00 11.11 H new ATOM 0 HH11 ARG A 61 -7.178 29.115 -6.173 1.00 75.50 H new ATOM 0 HH12 ARG A 61 -8.754 28.315 -6.170 1.00 75.50 H new ATOM 0 HH21 ARG A 61 -7.670 25.573 -8.103 1.00 12.20 H new ATOM 0 HH22 ARG A 61 -9.031 26.318 -7.258 1.00 12.20 H new ATOM 958 N CYS A 62 -0.311 26.637 -5.559 1.00 42.04 N ATOM 959 CA CYS A 62 0.518 25.638 -4.896 1.00 0.35 C ATOM 960 C CYS A 62 -0.016 24.231 -5.152 1.00 41.03 C ATOM 961 O CYS A 62 -1.227 24.006 -5.155 1.00 41.35 O ATOM 962 CB CYS A 62 0.574 25.910 -3.392 1.00 62.15 C ATOM 963 SG CYS A 62 1.401 24.603 -2.431 1.00 73.51 S ATOM 0 H CYS A 62 -0.787 27.278 -4.925 1.00 42.04 H new ATOM 0 HA CYS A 62 1.525 25.705 -5.308 1.00 0.35 H new ATOM 0 HB2 CYS A 62 1.093 26.854 -3.223 1.00 62.15 H new ATOM 0 HB3 CYS A 62 -0.442 26.034 -3.018 1.00 62.15 H new ATOM 968 N TYR A 63 0.896 23.289 -5.364 1.00 45.52 N ATOM 969 CA TYR A 63 0.517 21.905 -5.622 1.00 14.20 C ATOM 970 C TYR A 63 1.543 20.940 -5.032 1.00 21.05 C ATOM 971 O TYR A 63 2.714 21.286 -4.871 1.00 3.33 O ATOM 972 CB TYR A 63 0.381 21.664 -7.126 1.00 45.41 C ATOM 973 CG TYR A 63 1.706 21.576 -7.849 1.00 52.45 C ATOM 974 CD1 TYR A 63 2.318 22.716 -8.358 1.00 72.13 C ATOM 975 CD2 TYR A 63 2.348 20.355 -8.021 1.00 1.01 C ATOM 976 CE1 TYR A 63 3.528 22.640 -9.020 1.00 13.22 C ATOM 977 CE2 TYR A 63 3.559 20.272 -8.679 1.00 53.34 C ATOM 978 CZ TYR A 63 4.146 21.417 -9.177 1.00 70.24 C ATOM 979 OH TYR A 63 5.352 21.338 -9.834 1.00 43.32 O ATOM 0 H TYR A 63 1.902 23.458 -5.362 1.00 45.52 H new ATOM 0 HA TYR A 63 -0.445 21.723 -5.143 1.00 14.20 H new ATOM 0 HB2 TYR A 63 -0.174 20.740 -7.288 1.00 45.41 H new ATOM 0 HB3 TYR A 63 -0.208 22.470 -7.563 1.00 45.41 H new ATOM 0 HD1 TYR A 63 1.840 23.676 -8.234 1.00 72.13 H new ATOM 0 HD2 TYR A 63 1.892 19.456 -7.633 1.00 1.01 H new ATOM 0 HE1 TYR A 63 3.988 23.535 -9.413 1.00 13.22 H new ATOM 0 HE2 TYR A 63 4.044 19.315 -8.803 1.00 53.34 H new ATOM 0 HH TYR A 63 5.651 20.405 -9.857 1.00 43.32 H new ATOM 989 N ILE A 64 1.092 19.732 -4.714 1.00 55.33 N ATOM 990 CA ILE A 64 1.970 18.718 -4.143 1.00 5.43 C ATOM 991 C ILE A 64 1.635 17.331 -4.685 1.00 12.54 C ATOM 992 O ILE A 64 0.507 16.855 -4.547 1.00 4.15 O ATOM 993 CB ILE A 64 1.877 18.691 -2.606 1.00 2.33 C ATOM 994 CG1 ILE A 64 2.253 20.055 -2.027 1.00 75.43 C ATOM 995 CG2 ILE A 64 2.775 17.603 -2.039 1.00 44.01 C ATOM 996 CD1 ILE A 64 2.080 20.144 -0.527 1.00 11.12 C ATOM 0 H ILE A 64 0.126 19.431 -4.842 1.00 55.33 H new ATOM 0 HA ILE A 64 2.987 18.984 -4.433 1.00 5.43 H new ATOM 0 HB ILE A 64 0.848 18.468 -2.323 1.00 2.33 H new ATOM 0 HG12 ILE A 64 3.291 20.274 -2.278 1.00 75.43 H new ATOM 0 HG13 ILE A 64 1.642 20.823 -2.501 1.00 75.43 H new ATOM 0 HG21 ILE A 64 2.698 17.597 -0.952 1.00 44.01 H new ATOM 0 HG22 ILE A 64 2.464 16.634 -2.430 1.00 44.01 H new ATOM 0 HG23 ILE A 64 3.808 17.796 -2.328 1.00 44.01 H new ATOM 0 HD11 ILE A 64 2.365 21.139 -0.186 1.00 11.12 H new ATOM 0 HD12 ILE A 64 1.037 19.957 -0.269 1.00 11.12 H new ATOM 0 HD13 ILE A 64 2.712 19.400 -0.043 1.00 11.12 H new ATOM 1008 N CYS A 65 2.620 16.689 -5.304 1.00 21.21 N ATOM 1009 CA CYS A 65 2.430 15.358 -5.866 1.00 73.21 C ATOM 1010 C CYS A 65 3.365 14.349 -5.205 1.00 10.41 C ATOM 1011 O CYS A 65 4.389 14.720 -4.632 1.00 53.41 O ATOM 1012 CB CYS A 65 2.674 15.381 -7.376 1.00 24.12 C ATOM 1013 SG CYS A 65 1.429 16.322 -8.316 1.00 3.43 S ATOM 0 H CYS A 65 3.558 17.070 -5.429 1.00 21.21 H new ATOM 0 HA CYS A 65 1.401 15.053 -5.674 1.00 73.21 H new ATOM 0 HB2 CYS A 65 3.658 15.809 -7.568 1.00 24.12 H new ATOM 0 HB3 CYS A 65 2.694 14.356 -7.746 1.00 24.12 H new ATOM 1018 N ASN A 66 3.005 13.073 -5.289 1.00 44.32 N ATOM 1019 CA ASN A 66 3.812 12.011 -4.699 1.00 53.41 C ATOM 1020 C ASN A 66 5.093 11.792 -5.498 1.00 40.54 C ATOM 1021 O ASN A 66 5.219 12.261 -6.628 1.00 42.44 O ATOM 1022 CB ASN A 66 3.009 10.709 -4.633 1.00 4.34 C ATOM 1023 CG ASN A 66 2.605 10.210 -6.007 1.00 53.40 C ATOM 1024 OD1 ASN A 66 2.635 10.957 -6.985 1.00 23.11 O ATOM 1025 ND2 ASN A 66 2.223 8.940 -6.085 1.00 12.22 N ATOM 0 H ASN A 66 2.160 12.749 -5.760 1.00 44.32 H new ATOM 0 HA ASN A 66 4.084 12.315 -3.688 1.00 53.41 H new ATOM 0 HB2 ASN A 66 3.602 9.944 -4.131 1.00 4.34 H new ATOM 0 HB3 ASN A 66 2.115 10.866 -4.029 1.00 4.34 H new ATOM 0 HD21 ASN A 66 1.939 8.547 -6.982 1.00 12.22 H new ATOM 0 HD22 ASN A 66 2.214 8.358 -5.248 1.00 12.22 H new ATOM 1032 N ASN A 67 6.040 11.075 -4.902 1.00 11.55 N ATOM 1033 CA ASN A 67 7.313 10.794 -5.558 1.00 15.23 C ATOM 1034 C ASN A 67 7.093 10.057 -6.875 1.00 64.24 C ATOM 1035 O ASN A 67 7.859 10.222 -7.824 1.00 61.44 O ATOM 1036 CB ASN A 67 8.211 9.965 -4.639 1.00 20.14 C ATOM 1037 CG ASN A 67 9.684 10.244 -4.865 1.00 74.45 C ATOM 1038 OD1 ASN A 67 10.060 10.915 -5.825 1.00 73.43 O ATOM 1039 ND2 ASN A 67 10.527 9.729 -3.977 1.00 24.13 N ATOM 0 H ASN A 67 5.951 10.678 -3.967 1.00 11.55 H new ATOM 0 HA ASN A 67 7.803 11.744 -5.771 1.00 15.23 H new ATOM 0 HB2 ASN A 67 7.959 10.178 -3.600 1.00 20.14 H new ATOM 0 HB3 ASN A 67 8.015 8.905 -4.804 1.00 20.14 H new ATOM 0 HD21 ASN A 67 11.530 9.884 -4.077 1.00 24.13 H new ATOM 0 HD22 ASN A 67 10.171 9.178 -3.196 1.00 24.13 H new ATOM 1046 N GLU A 68 6.042 9.245 -6.925 1.00 2.34 N ATOM 1047 CA GLU A 68 5.722 8.482 -8.126 1.00 64.21 C ATOM 1048 C GLU A 68 5.051 9.369 -9.171 1.00 23.15 C ATOM 1049 O GLU A 68 4.865 8.964 -10.319 1.00 62.10 O ATOM 1050 CB GLU A 68 4.812 7.302 -7.781 1.00 13.03 C ATOM 1051 CG GLU A 68 5.424 6.330 -6.785 1.00 32.42 C ATOM 1052 CD GLU A 68 6.111 5.159 -7.462 1.00 43.55 C ATOM 1053 OE1 GLU A 68 5.401 4.298 -8.019 1.00 12.11 O ATOM 1054 OE2 GLU A 68 7.358 5.106 -7.432 1.00 63.23 O1- ATOM 0 H GLU A 68 5.398 9.098 -6.148 1.00 2.34 H new ATOM 0 HA GLU A 68 6.654 8.101 -8.543 1.00 64.21 H new ATOM 0 HB2 GLU A 68 3.875 7.683 -7.375 1.00 13.03 H new ATOM 0 HB3 GLU A 68 4.566 6.764 -8.697 1.00 13.03 H new ATOM 0 HG2 GLU A 68 6.145 6.859 -6.162 1.00 32.42 H new ATOM 0 HG3 GLU A 68 4.644 5.955 -6.122 1.00 32.42 H new ATOM 1061 N LYS A 69 4.689 10.581 -8.764 1.00 71.44 N ATOM 1062 CA LYS A 69 4.039 11.526 -9.663 1.00 40.30 C ATOM 1063 C LYS A 69 2.760 10.934 -10.245 1.00 12.13 C ATOM 1064 O LYS A 69 2.300 11.346 -11.310 1.00 32.33 O ATOM 1065 CB LYS A 69 4.989 11.923 -10.795 1.00 41.01 C ATOM 1066 CG LYS A 69 5.954 13.035 -10.419 1.00 21.00 C ATOM 1067 CD LYS A 69 6.806 13.459 -11.603 1.00 71.15 C ATOM 1068 CE LYS A 69 6.285 14.743 -12.233 1.00 4.11 C ATOM 1069 NZ LYS A 69 7.255 15.316 -13.206 1.00 61.00 N1+ ATOM 0 H LYS A 69 4.835 10.932 -7.817 1.00 71.44 H new ATOM 0 HA LYS A 69 3.779 12.414 -9.087 1.00 40.30 H new ATOM 0 HB2 LYS A 69 5.560 11.047 -11.103 1.00 41.01 H new ATOM 0 HB3 LYS A 69 4.401 12.239 -11.657 1.00 41.01 H new ATOM 0 HG2 LYS A 69 5.394 13.893 -10.047 1.00 21.00 H new ATOM 0 HG3 LYS A 69 6.599 12.699 -9.607 1.00 21.00 H new ATOM 0 HD2 LYS A 69 7.836 13.604 -11.278 1.00 71.15 H new ATOM 0 HD3 LYS A 69 6.816 12.664 -12.349 1.00 71.15 H new ATOM 0 HE2 LYS A 69 5.340 14.543 -12.738 1.00 4.11 H new ATOM 0 HE3 LYS A 69 6.080 15.474 -11.451 1.00 4.11 H new ATOM 0 HZ1 LYS A 69 6.864 16.189 -13.613 1.00 61.00 H new ATOM 0 HZ2 LYS A 69 8.149 15.531 -12.720 1.00 61.00 H new ATOM 0 HZ3 LYS A 69 7.431 14.628 -13.966 1.00 61.00 H new ATOM 1083 N THR A 70 2.188 9.964 -9.538 1.00 30.31 N ATOM 1084 CA THR A 70 0.960 9.314 -9.983 1.00 22.31 C ATOM 1085 C THR A 70 -0.264 9.942 -9.327 1.00 43.33 C ATOM 1086 O THR A 70 -1.316 10.073 -9.950 1.00 43.31 O ATOM 1087 CB THR A 70 0.980 7.806 -9.673 1.00 53.45 C ATOM 1088 OG1 THR A 70 0.945 7.596 -8.256 1.00 5.25 O ATOM 1089 CG2 THR A 70 2.220 7.149 -10.258 1.00 43.40 C ATOM 0 H THR A 70 2.555 9.611 -8.654 1.00 30.31 H new ATOM 0 HA THR A 70 0.901 9.454 -11.062 1.00 22.31 H new ATOM 0 HB THR A 70 0.100 7.353 -10.129 1.00 53.45 H new ATOM 0 HG1 THR A 70 0.956 6.634 -8.067 1.00 5.25 H new ATOM 0 HG21 THR A 70 2.211 6.084 -10.026 1.00 43.40 H new ATOM 0 HG22 THR A 70 2.228 7.285 -11.340 1.00 43.40 H new ATOM 0 HG23 THR A 70 3.111 7.607 -9.829 1.00 43.40 H new ATOM 1097 N LEU A 71 -0.118 10.328 -8.063 1.00 55.15 N ATOM 1098 CA LEU A 71 -1.213 10.943 -7.320 1.00 63.21 C ATOM 1099 C LEU A 71 -0.864 12.372 -6.919 1.00 74.32 C ATOM 1100 O LEU A 71 0.289 12.678 -6.615 1.00 71.24 O ATOM 1101 CB LEU A 71 -1.539 10.116 -6.075 1.00 51.23 C ATOM 1102 CG LEU A 71 -2.853 10.454 -5.370 1.00 34.13 C ATOM 1103 CD1 LEU A 71 -4.000 9.655 -5.967 1.00 32.00 C ATOM 1104 CD2 LEU A 71 -2.739 10.190 -3.875 1.00 23.13 C ATOM 0 H LEU A 71 0.747 10.226 -7.532 1.00 55.15 H new ATOM 0 HA LEU A 71 -2.089 10.971 -7.969 1.00 63.21 H new ATOM 0 HB2 LEU A 71 -1.562 9.064 -6.358 1.00 51.23 H new ATOM 0 HB3 LEU A 71 -0.725 10.236 -5.360 1.00 51.23 H new ATOM 0 HG LEU A 71 -3.060 11.514 -5.518 1.00 34.13 H new ATOM 0 HD11 LEU A 71 -4.927 9.909 -5.453 1.00 32.00 H new ATOM 0 HD12 LEU A 71 -4.096 9.893 -7.026 1.00 32.00 H new ATOM 0 HD13 LEU A 71 -3.801 8.590 -5.851 1.00 32.00 H new ATOM 0 HD21 LEU A 71 -3.683 10.436 -3.389 1.00 23.13 H new ATOM 0 HD22 LEU A 71 -2.508 9.138 -3.708 1.00 23.13 H new ATOM 0 HD23 LEU A 71 -1.944 10.807 -3.456 1.00 23.13 H new ATOM 1116 N CYS A 72 -1.867 13.243 -6.918 1.00 53.03 N ATOM 1117 CA CYS A 72 -1.668 14.640 -6.552 1.00 32.24 C ATOM 1118 C CYS A 72 -2.877 15.183 -5.797 1.00 44.23 C ATOM 1119 O CYS A 72 -3.954 14.584 -5.812 1.00 42.24 O ATOM 1120 CB CYS A 72 -1.413 15.485 -7.802 1.00 15.44 C ATOM 1121 SG CYS A 72 0.025 14.947 -8.784 1.00 43.01 S ATOM 0 H CYS A 72 -2.827 13.006 -7.167 1.00 53.03 H new ATOM 0 HA CYS A 72 -0.798 14.697 -5.898 1.00 32.24 H new ATOM 0 HB2 CYS A 72 -2.301 15.458 -8.433 1.00 15.44 H new ATOM 0 HB3 CYS A 72 -1.267 16.523 -7.502 1.00 15.44 H new ATOM 1126 N THR A 73 -2.692 16.320 -5.133 1.00 61.13 N ATOM 1127 CA THR A 73 -3.766 16.944 -4.371 1.00 22.22 C ATOM 1128 C THR A 73 -5.019 17.112 -5.223 1.00 44.15 C ATOM 1129 O THR A 73 -4.938 17.444 -6.406 1.00 61.12 O ATOM 1130 CB THR A 73 -3.342 18.320 -3.825 1.00 35.12 C ATOM 1131 OG1 THR A 73 -2.373 18.914 -4.695 1.00 31.14 O ATOM 1132 CG2 THR A 73 -2.762 18.190 -2.424 1.00 55.11 C ATOM 0 H THR A 73 -1.808 16.827 -5.108 1.00 61.13 H new ATOM 0 HA THR A 73 -3.985 16.281 -3.534 1.00 22.22 H new ATOM 0 HB THR A 73 -4.226 18.957 -3.778 1.00 35.12 H new ATOM 0 HG1 THR A 73 -2.110 19.789 -4.342 1.00 31.14 H new ATOM 0 HG21 THR A 73 -2.469 19.174 -2.059 1.00 55.11 H new ATOM 0 HG22 THR A 73 -3.512 17.764 -1.758 1.00 55.11 H new ATOM 0 HG23 THR A 73 -1.888 17.539 -2.451 1.00 55.11 H new ATOM 1140 N SER A 74 -6.178 16.882 -4.614 1.00 30.10 N ATOM 1141 CA SER A 74 -7.449 17.005 -5.318 1.00 62.43 C ATOM 1142 C SER A 74 -7.580 18.380 -5.967 1.00 35.40 C ATOM 1143 O SER A 74 -7.052 19.370 -5.462 1.00 60.23 O ATOM 1144 CB SER A 74 -8.615 16.771 -4.355 1.00 23.42 C ATOM 1145 OG SER A 74 -9.840 16.646 -5.058 1.00 21.12 O ATOM 0 H SER A 74 -6.263 16.610 -3.635 1.00 30.10 H new ATOM 0 HA SER A 74 -7.476 16.248 -6.102 1.00 62.43 H new ATOM 0 HB2 SER A 74 -8.433 15.869 -3.771 1.00 23.42 H new ATOM 0 HB3 SER A 74 -8.680 17.599 -3.649 1.00 23.42 H new ATOM 0 HG SER A 74 -10.569 16.496 -4.421 1.00 21.12 H new ATOM 1151 N VAL A 75 -8.287 18.432 -7.092 1.00 55.43 N ATOM 1152 CA VAL A 75 -8.488 19.685 -7.810 1.00 11.13 C ATOM 1153 C VAL A 75 -9.057 20.761 -6.892 1.00 25.41 C ATOM 1154 O VAL A 75 -8.824 21.951 -7.095 1.00 24.22 O ATOM 1155 CB VAL A 75 -9.436 19.497 -9.010 1.00 13.53 C ATOM 1156 CG1 VAL A 75 -10.831 19.121 -8.535 1.00 14.01 C ATOM 1157 CG2 VAL A 75 -9.475 20.758 -9.860 1.00 0.01 C ATOM 0 H VAL A 75 -8.730 17.622 -7.525 1.00 55.43 H new ATOM 0 HA VAL A 75 -7.510 20.002 -8.173 1.00 11.13 H new ATOM 0 HB VAL A 75 -9.057 18.682 -9.627 1.00 13.53 H new ATOM 0 HG11 VAL A 75 -11.486 18.992 -9.396 1.00 14.01 H new ATOM 0 HG12 VAL A 75 -10.785 18.189 -7.972 1.00 14.01 H new ATOM 0 HG13 VAL A 75 -11.223 19.912 -7.896 1.00 14.01 H new ATOM 0 HG21 VAL A 75 -10.149 20.608 -10.703 1.00 0.01 H new ATOM 0 HG22 VAL A 75 -9.830 21.593 -9.256 1.00 0.01 H new ATOM 0 HG23 VAL A 75 -8.474 20.978 -10.231 1.00 0.01 H new ATOM 1167 N MET A 76 -9.803 20.331 -5.878 1.00 43.31 N ATOM 1168 CA MET A 76 -10.403 21.259 -4.926 1.00 43.13 C ATOM 1169 C MET A 76 -10.544 20.612 -3.553 1.00 51.03 C ATOM 1170 O MET A 76 -10.137 19.467 -3.348 1.00 70.34 O ATOM 1171 CB MET A 76 -11.771 21.723 -5.428 1.00 71.42 C ATOM 1172 CG MET A 76 -12.716 20.580 -5.763 1.00 32.35 C ATOM 1173 SD MET A 76 -14.316 21.154 -6.364 1.00 71.52 S ATOM 1174 CE MET A 76 -15.091 21.664 -4.831 1.00 75.53 C ATOM 0 H MET A 76 -10.006 19.348 -5.695 1.00 43.31 H new ATOM 0 HA MET A 76 -9.746 22.124 -4.834 1.00 43.13 H new ATOM 0 HB2 MET A 76 -12.232 22.354 -4.669 1.00 71.42 H new ATOM 0 HB3 MET A 76 -11.633 22.341 -6.315 1.00 71.42 H new ATOM 0 HG2 MET A 76 -12.256 19.943 -6.518 1.00 32.35 H new ATOM 0 HG3 MET A 76 -12.865 19.965 -4.875 1.00 32.35 H new ATOM 0 HE1 MET A 76 -16.116 21.978 -5.028 1.00 75.53 H new ATOM 0 HE2 MET A 76 -15.095 20.829 -4.130 1.00 75.53 H new ATOM 0 HE3 MET A 76 -14.534 22.496 -4.401 1.00 75.53 H new TER 1184 MET A 76