USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 650 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 11 THR OG1 : rot 180:sc= -0.0171 USER MOD Set 1.2: A 14 THR OG1 : rot 180:sc= -0.547 USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= -0.106 USER MOD Set 2.2: A 49 GLN : amide:sc= -4.02! C(o=-7.5!,f=-6.6!) USER MOD Set 2.3: A 80 HIS : no HE2:sc= -3.35! C(o=-7.5!,f=-3.5!) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 12 ASN : amide:sc= 0.963 K(o=0.96,f=-0.39) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00325) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 26 MET CE :methyl 165:sc= -0.0665 (180deg=-0.376) USER MOD Single : A 27 SER OG : rot 180:sc= 0.198 USER MOD Single : A 29 ASN : amide:sc= -1.54 K(o=-1.5,f=-3.4) USER MOD Single : A 32 LYS NZ :NH3+ -108:sc= 0.827 (180deg=-0.494) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0177) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.34 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 175:sc= -1.46 (180deg=-1.58) USER MOD Single : A 56 GLN : amide:sc=-0.00989 K(o=-0.0099,f=-0.96) USER MOD Single : A 58 LYS NZ :NH3+ 142:sc= 0.968 (180deg=0.437) USER MOD Single : A 62 THR OG1 : rot -42:sc= 0.228 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= 1.16 (180deg=1.12) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -16.261 -0.169 -4.776 1.00 0.00 N ATOM 33 CA GLU A 3 -14.904 -0.200 -5.235 1.00 0.00 C ATOM 34 C GLU A 3 -14.070 -0.828 -4.189 1.00 0.00 C ATOM 35 O GLU A 3 -13.825 -0.241 -3.147 1.00 0.00 O ATOM 36 CB GLU A 3 -14.413 1.230 -5.471 1.00 0.00 C ATOM 37 CG GLU A 3 -15.146 1.945 -6.567 1.00 0.00 C ATOM 38 CD GLU A 3 -14.923 3.417 -6.567 1.00 0.00 C ATOM 39 OE1 GLU A 3 -13.911 3.872 -7.116 1.00 0.00 O ATOM 40 OE2 GLU A 3 -15.775 4.155 -6.011 1.00 0.00 O ATOM 0 HA GLU A 3 -14.838 -0.765 -6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.516 1.798 -4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.350 1.205 -5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.833 1.538 -7.529 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.213 1.747 -6.469 1.00 0.00 H new ATOM 47 N VAL A 4 -13.671 -2.007 -4.437 1.00 0.00 N ATOM 48 CA VAL A 4 -12.848 -2.744 -3.513 1.00 0.00 C ATOM 49 C VAL A 4 -11.648 -3.322 -4.216 1.00 0.00 C ATOM 50 O VAL A 4 -11.695 -3.598 -5.414 1.00 0.00 O ATOM 51 CB VAL A 4 -13.626 -3.879 -2.767 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.715 -3.305 -1.871 1.00 0.00 C ATOM 53 CG2 VAL A 4 -14.229 -4.875 -3.753 1.00 0.00 C ATOM 0 H VAL A 4 -13.898 -2.514 -5.293 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.523 -2.029 -2.757 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.907 -4.406 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -15.237 -4.118 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -14.265 -2.647 -1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.423 -2.739 -2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -14.763 -5.651 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.922 -4.357 -4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.433 -5.329 -4.343 1.00 0.00 H new ATOM 63 N TYR A 5 -10.583 -3.446 -3.487 1.00 0.00 N ATOM 64 CA TYR A 5 -9.367 -4.067 -3.972 1.00 0.00 C ATOM 65 C TYR A 5 -8.966 -5.235 -3.107 1.00 0.00 C ATOM 66 O TYR A 5 -9.022 -5.163 -1.873 1.00 0.00 O ATOM 67 CB TYR A 5 -8.193 -3.052 -4.124 1.00 0.00 C ATOM 68 CG TYR A 5 -7.959 -2.118 -2.943 1.00 0.00 C ATOM 69 CD1 TYR A 5 -7.645 -2.597 -1.688 1.00 0.00 C ATOM 70 CD2 TYR A 5 -8.074 -0.750 -3.097 1.00 0.00 C ATOM 71 CE1 TYR A 5 -7.450 -1.751 -0.626 1.00 0.00 C ATOM 72 CE2 TYR A 5 -7.886 0.104 -2.034 1.00 0.00 C ATOM 73 CZ TYR A 5 -7.576 -0.403 -0.805 1.00 0.00 C ATOM 74 OH TYR A 5 -7.409 0.452 0.258 1.00 0.00 O ATOM 0 H TYR A 5 -10.522 -3.118 -2.523 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.588 -4.443 -4.971 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.276 -3.612 -4.305 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -8.376 -2.445 -5.011 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -7.551 -3.662 -1.538 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.316 -0.344 -4.068 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -7.198 -2.149 0.346 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.983 1.171 -2.172 1.00 0.00 H new ATOM 0 HH TYR A 5 -7.532 1.376 -0.043 1.00 0.00 H new ATOM 84 N ASP A 6 -8.638 -6.321 -3.741 1.00 0.00 N ATOM 85 CA ASP A 6 -8.083 -7.453 -3.046 1.00 0.00 C ATOM 86 C ASP A 6 -6.612 -7.380 -3.190 1.00 0.00 C ATOM 87 O ASP A 6 -6.077 -7.438 -4.296 1.00 0.00 O ATOM 88 CB ASP A 6 -8.572 -8.756 -3.611 1.00 0.00 C ATOM 89 CG ASP A 6 -8.109 -9.960 -2.807 1.00 0.00 C ATOM 90 OD1 ASP A 6 -6.990 -10.477 -3.038 1.00 0.00 O ATOM 91 OD2 ASP A 6 -8.874 -10.422 -1.953 1.00 0.00 O ATOM 0 H ASP A 6 -8.745 -6.451 -4.747 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.392 -7.418 -2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.661 -8.745 -3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.222 -8.855 -4.638 1.00 0.00 H new ATOM 96 N LEU A 7 -5.978 -7.215 -2.126 1.00 0.00 N ATOM 97 CA LEU A 7 -4.581 -7.062 -2.094 1.00 0.00 C ATOM 98 C LEU A 7 -3.883 -8.035 -1.191 1.00 0.00 C ATOM 99 O LEU A 7 -4.480 -8.619 -0.273 1.00 0.00 O ATOM 100 CB LEU A 7 -4.135 -5.610 -1.892 1.00 0.00 C ATOM 101 CG LEU A 7 -4.883 -4.739 -0.872 1.00 0.00 C ATOM 102 CD1 LEU A 7 -4.878 -5.332 0.513 1.00 0.00 C ATOM 103 CD2 LEU A 7 -4.278 -3.353 -0.846 1.00 0.00 C ATOM 0 H LEU A 7 -6.420 -7.179 -1.207 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.247 -7.330 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.084 -5.625 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.194 -5.110 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.924 -4.687 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.421 -4.675 1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.360 -6.310 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.850 -5.442 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.811 -2.737 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.228 -3.420 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.359 -2.902 -1.835 1.00 0.00 H new ATOM 115 N GLU A 8 -2.637 -8.224 -1.473 1.00 0.00 N ATOM 116 CA GLU A 8 -1.802 -9.133 -0.763 1.00 0.00 C ATOM 117 C GLU A 8 -0.822 -8.346 0.060 1.00 0.00 C ATOM 118 O GLU A 8 0.011 -7.624 -0.467 1.00 0.00 O ATOM 119 CB GLU A 8 -1.079 -9.988 -1.778 1.00 0.00 C ATOM 120 CG GLU A 8 -0.077 -10.964 -1.226 1.00 0.00 C ATOM 121 CD GLU A 8 0.509 -11.810 -2.319 1.00 0.00 C ATOM 122 OE1 GLU A 8 1.480 -11.377 -2.984 1.00 0.00 O ATOM 123 OE2 GLU A 8 -0.010 -12.908 -2.552 1.00 0.00 O ATOM 0 H GLU A 8 -2.157 -7.734 -2.228 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.384 -9.771 -0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.822 -10.545 -2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.566 -9.329 -2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.719 -10.423 -0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.557 -11.603 -0.484 1.00 0.00 H new ATOM 130 N ILE A 9 -0.950 -8.466 1.330 1.00 0.00 N ATOM 131 CA ILE A 9 -0.116 -7.754 2.254 1.00 0.00 C ATOM 132 C ILE A 9 1.033 -8.634 2.684 1.00 0.00 C ATOM 133 O ILE A 9 0.844 -9.784 3.074 1.00 0.00 O ATOM 134 CB ILE A 9 -0.895 -7.309 3.528 1.00 0.00 C ATOM 135 CG1 ILE A 9 -2.130 -6.456 3.186 1.00 0.00 C ATOM 136 CG2 ILE A 9 0.021 -6.559 4.504 1.00 0.00 C ATOM 137 CD1 ILE A 9 -1.816 -5.175 2.444 1.00 0.00 C ATOM 0 H ILE A 9 -1.644 -9.068 1.773 1.00 0.00 H new ATOM 0 HA ILE A 9 0.244 -6.863 1.740 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.249 -8.219 4.013 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.814 -7.053 2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.653 -6.208 4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.550 -6.261 5.383 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.841 -7.210 4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.424 -5.672 4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.741 -4.635 2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.158 -4.554 3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.322 -5.412 1.502 1.00 0.00 H new ATOM 149 N THR A 10 2.186 -8.099 2.600 1.00 0.00 N ATOM 150 CA THR A 10 3.382 -8.729 3.049 1.00 0.00 C ATOM 151 C THR A 10 4.014 -7.834 4.063 1.00 0.00 C ATOM 152 O THR A 10 3.947 -6.618 3.937 1.00 0.00 O ATOM 153 CB THR A 10 4.353 -9.016 1.897 1.00 0.00 C ATOM 154 OG1 THR A 10 4.467 -7.867 1.049 1.00 0.00 O ATOM 155 CG2 THR A 10 3.914 -10.216 1.107 1.00 0.00 C ATOM 0 H THR A 10 2.340 -7.173 2.202 1.00 0.00 H new ATOM 0 HA THR A 10 3.137 -9.696 3.487 1.00 0.00 H new ATOM 0 HB THR A 10 5.332 -9.236 2.322 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.090 -8.061 0.318 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.620 -10.397 0.297 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.880 -11.088 1.759 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.923 -10.035 0.691 1.00 0.00 H new ATOM 163 N THR A 11 4.609 -8.388 5.048 1.00 0.00 N ATOM 164 CA THR A 11 5.124 -7.597 6.095 1.00 0.00 C ATOM 165 C THR A 11 6.448 -8.159 6.536 1.00 0.00 C ATOM 166 O THR A 11 6.780 -9.318 6.285 1.00 0.00 O ATOM 167 CB THR A 11 4.157 -7.576 7.305 1.00 0.00 C ATOM 168 OG1 THR A 11 2.804 -7.503 6.845 1.00 0.00 O ATOM 169 CG2 THR A 11 4.399 -6.363 8.209 1.00 0.00 C ATOM 0 H THR A 11 4.752 -9.393 5.152 1.00 0.00 H new ATOM 0 HA THR A 11 5.245 -6.578 5.728 1.00 0.00 H new ATOM 0 HB THR A 11 4.337 -8.490 7.870 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.197 -7.492 7.614 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.700 -6.387 9.045 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.420 -6.390 8.589 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.249 -5.447 7.637 1.00 0.00 H new ATOM 177 N ASN A 12 7.145 -7.327 7.177 1.00 0.00 N ATOM 178 CA ASN A 12 8.466 -7.549 7.758 1.00 0.00 C ATOM 179 C ASN A 12 8.450 -8.709 8.743 1.00 0.00 C ATOM 180 O ASN A 12 9.412 -9.479 8.866 1.00 0.00 O ATOM 181 CB ASN A 12 8.838 -6.276 8.515 1.00 0.00 C ATOM 182 CG ASN A 12 10.136 -6.346 9.276 1.00 0.00 C ATOM 183 OD1 ASN A 12 11.062 -6.997 8.872 1.00 0.00 O ATOM 184 ND2 ASN A 12 10.194 -5.694 10.395 1.00 0.00 N ATOM 0 H ASN A 12 6.812 -6.378 7.345 1.00 0.00 H new ATOM 0 HA ASN A 12 9.178 -7.786 6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.895 -5.452 7.804 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.036 -6.039 9.214 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.043 -5.725 10.960 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.391 -5.150 10.711 1.00 0.00 H new ATOM 191 N ALA A 13 7.365 -8.838 9.431 1.00 0.00 N ATOM 192 CA ALA A 13 7.284 -9.804 10.460 1.00 0.00 C ATOM 193 C ALA A 13 6.308 -10.937 10.153 1.00 0.00 C ATOM 194 O ALA A 13 6.036 -11.778 11.011 1.00 0.00 O ATOM 195 CB ALA A 13 6.987 -9.125 11.767 1.00 0.00 C ATOM 0 H ALA A 13 6.522 -8.281 9.294 1.00 0.00 H new ATOM 0 HA ALA A 13 8.255 -10.294 10.534 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.925 -9.871 12.559 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.782 -8.416 11.998 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.038 -8.594 11.694 1.00 0.00 H new ATOM 201 N THR A 14 5.816 -10.994 8.938 1.00 0.00 N ATOM 202 CA THR A 14 4.902 -12.053 8.570 1.00 0.00 C ATOM 203 C THR A 14 5.520 -12.953 7.509 1.00 0.00 C ATOM 204 O THR A 14 6.176 -12.467 6.575 1.00 0.00 O ATOM 205 CB THR A 14 3.531 -11.502 8.086 1.00 0.00 C ATOM 206 OG1 THR A 14 3.721 -10.567 7.016 1.00 0.00 O ATOM 207 CG2 THR A 14 2.782 -10.822 9.225 1.00 0.00 C ATOM 0 H THR A 14 6.029 -10.329 8.194 1.00 0.00 H new ATOM 0 HA THR A 14 4.716 -12.643 9.468 1.00 0.00 H new ATOM 0 HB THR A 14 2.939 -12.346 7.732 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.851 -10.228 6.719 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.827 -10.446 8.859 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.606 -11.541 10.025 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.376 -9.992 9.607 1.00 0.00 H new ATOM 215 N ASP A 15 5.339 -14.246 7.657 1.00 0.00 N ATOM 216 CA ASP A 15 5.871 -15.199 6.692 1.00 0.00 C ATOM 217 C ASP A 15 4.851 -15.421 5.599 1.00 0.00 C ATOM 218 O ASP A 15 5.186 -15.534 4.416 1.00 0.00 O ATOM 219 CB ASP A 15 6.214 -16.534 7.374 1.00 0.00 C ATOM 220 CG ASP A 15 6.873 -17.530 6.434 1.00 0.00 C ATOM 221 OD1 ASP A 15 8.119 -17.457 6.266 1.00 0.00 O ATOM 222 OD2 ASP A 15 6.173 -18.391 5.857 1.00 0.00 O ATOM 0 H ASP A 15 4.829 -14.668 8.433 1.00 0.00 H new ATOM 0 HA ASP A 15 6.787 -14.794 6.263 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.878 -16.345 8.217 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.302 -16.973 7.779 1.00 0.00 H new ATOM 227 N PHE A 16 3.607 -15.435 6.001 1.00 0.00 N ATOM 228 CA PHE A 16 2.506 -15.656 5.104 1.00 0.00 C ATOM 229 C PHE A 16 1.939 -14.326 4.634 1.00 0.00 C ATOM 230 O PHE A 16 1.840 -13.376 5.422 1.00 0.00 O ATOM 231 CB PHE A 16 1.397 -16.455 5.802 1.00 0.00 C ATOM 232 CG PHE A 16 1.794 -17.843 6.230 1.00 0.00 C ATOM 233 CD1 PHE A 16 2.434 -18.061 7.440 1.00 0.00 C ATOM 234 CD2 PHE A 16 1.512 -18.928 5.427 1.00 0.00 C ATOM 235 CE1 PHE A 16 2.784 -19.328 7.835 1.00 0.00 C ATOM 236 CE2 PHE A 16 1.863 -20.199 5.817 1.00 0.00 C ATOM 237 CZ PHE A 16 2.499 -20.400 7.021 1.00 0.00 C ATOM 0 H PHE A 16 3.328 -15.292 6.972 1.00 0.00 H new ATOM 0 HA PHE A 16 2.873 -16.221 4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.066 -15.900 6.680 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.542 -16.528 5.129 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.660 -17.222 8.081 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.010 -18.778 4.482 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.281 -19.483 8.781 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.639 -21.040 5.178 1.00 0.00 H new ATOM 0 HZ PHE A 16 2.774 -21.399 7.327 1.00 0.00 H new ATOM 247 N PRO A 17 1.590 -14.216 3.344 1.00 0.00 N ATOM 248 CA PRO A 17 0.939 -13.026 2.810 1.00 0.00 C ATOM 249 C PRO A 17 -0.507 -12.946 3.303 1.00 0.00 C ATOM 250 O PRO A 17 -1.206 -13.962 3.385 1.00 0.00 O ATOM 251 CB PRO A 17 0.964 -13.239 1.285 1.00 0.00 C ATOM 252 CG PRO A 17 1.884 -14.389 1.058 1.00 0.00 C ATOM 253 CD PRO A 17 1.818 -15.222 2.296 1.00 0.00 C ATOM 0 HA PRO A 17 1.432 -12.104 3.118 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.034 -13.453 0.902 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.318 -12.346 0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.580 -14.965 0.184 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.901 -14.044 0.874 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.010 -15.952 2.251 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.741 -15.778 2.461 1.00 0.00 H new ATOM 261 N MET A 18 -0.950 -11.767 3.630 1.00 0.00 N ATOM 262 CA MET A 18 -2.287 -11.583 4.139 1.00 0.00 C ATOM 263 C MET A 18 -3.168 -11.029 3.042 1.00 0.00 C ATOM 264 O MET A 18 -2.877 -9.978 2.486 1.00 0.00 O ATOM 265 CB MET A 18 -2.283 -10.629 5.346 1.00 0.00 C ATOM 266 CG MET A 18 -1.430 -11.092 6.518 1.00 0.00 C ATOM 267 SD MET A 18 -1.997 -12.644 7.239 1.00 0.00 S ATOM 268 CE MET A 18 -0.768 -12.874 8.527 1.00 0.00 C ATOM 0 H MET A 18 -0.403 -10.909 3.554 1.00 0.00 H new ATOM 0 HA MET A 18 -2.676 -12.546 4.469 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.927 -9.652 5.019 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.309 -10.496 5.690 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.399 -11.209 6.185 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.431 -10.320 7.287 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.978 -13.796 9.070 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.223 -12.935 8.077 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.802 -12.031 9.217 1.00 0.00 H new ATOM 278 N GLU A 19 -4.221 -11.725 2.733 1.00 0.00 N ATOM 279 CA GLU A 19 -5.131 -11.300 1.695 1.00 0.00 C ATOM 280 C GLU A 19 -6.224 -10.471 2.314 1.00 0.00 C ATOM 281 O GLU A 19 -6.928 -10.922 3.212 1.00 0.00 O ATOM 282 CB GLU A 19 -5.714 -12.502 1.001 1.00 0.00 C ATOM 283 CG GLU A 19 -4.659 -13.409 0.399 1.00 0.00 C ATOM 284 CD GLU A 19 -5.230 -14.675 -0.151 1.00 0.00 C ATOM 285 OE1 GLU A 19 -5.642 -14.697 -1.333 1.00 0.00 O ATOM 286 OE2 GLU A 19 -5.266 -15.688 0.589 1.00 0.00 O ATOM 0 H GLU A 19 -4.479 -12.601 3.187 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.597 -10.702 0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.311 -13.071 1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.390 -12.168 0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.138 -12.875 -0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.917 -13.651 1.160 1.00 0.00 H new ATOM 293 N LYS A 20 -6.342 -9.272 1.870 1.00 0.00 N ATOM 294 CA LYS A 20 -7.278 -8.346 2.398 1.00 0.00 C ATOM 295 C LYS A 20 -8.007 -7.616 1.293 1.00 0.00 C ATOM 296 O LYS A 20 -7.411 -7.242 0.286 1.00 0.00 O ATOM 297 CB LYS A 20 -6.547 -7.361 3.290 1.00 0.00 C ATOM 298 CG LYS A 20 -6.184 -7.882 4.687 1.00 0.00 C ATOM 299 CD LYS A 20 -7.440 -8.054 5.546 1.00 0.00 C ATOM 300 CE LYS A 20 -7.126 -8.558 6.952 1.00 0.00 C ATOM 301 NZ LYS A 20 -6.639 -9.953 6.963 1.00 0.00 N ATOM 0 H LYS A 20 -5.775 -8.897 1.109 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.023 -8.888 2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.631 -7.052 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.165 -6.470 3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.664 -8.836 4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.498 -7.188 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.962 -7.100 5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.117 -8.754 5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.375 -7.912 7.406 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.022 -8.486 7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.474 -10.255 7.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.350 -10.573 6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.750 -10.014 6.427 1.00 0.00 H new ATOM 315 N LYS A 21 -9.289 -7.445 1.471 1.00 0.00 N ATOM 316 CA LYS A 21 -10.093 -6.720 0.535 1.00 0.00 C ATOM 317 C LYS A 21 -10.636 -5.473 1.215 1.00 0.00 C ATOM 318 O LYS A 21 -11.409 -5.565 2.170 1.00 0.00 O ATOM 319 CB LYS A 21 -11.248 -7.595 0.039 1.00 0.00 C ATOM 320 CG LYS A 21 -12.130 -6.931 -1.012 1.00 0.00 C ATOM 321 CD LYS A 21 -13.305 -7.818 -1.406 1.00 0.00 C ATOM 322 CE LYS A 21 -14.241 -8.065 -0.227 1.00 0.00 C ATOM 323 NZ LYS A 21 -15.387 -8.907 -0.598 1.00 0.00 N ATOM 0 H LYS A 21 -9.804 -7.807 2.274 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.486 -6.435 -0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.839 -8.516 -0.376 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.867 -7.877 0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.504 -5.982 -0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.534 -6.703 -1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.859 -7.349 -2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.933 -8.771 -1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.687 -8.543 0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.602 -7.110 0.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.997 -9.049 0.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.931 -8.440 -1.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.045 -9.828 -0.938 1.00 0.00 H new ATOM 337 N TYR A 22 -10.243 -4.330 0.731 1.00 0.00 N ATOM 338 CA TYR A 22 -10.688 -3.060 1.290 1.00 0.00 C ATOM 339 C TYR A 22 -11.158 -2.143 0.179 1.00 0.00 C ATOM 340 O TYR A 22 -10.820 -2.366 -0.984 1.00 0.00 O ATOM 341 CB TYR A 22 -9.579 -2.379 2.126 1.00 0.00 C ATOM 342 CG TYR A 22 -9.254 -3.057 3.438 1.00 0.00 C ATOM 343 CD1 TYR A 22 -10.003 -2.785 4.568 1.00 0.00 C ATOM 344 CD2 TYR A 22 -8.207 -3.955 3.551 1.00 0.00 C ATOM 345 CE1 TYR A 22 -9.722 -3.387 5.776 1.00 0.00 C ATOM 346 CE2 TYR A 22 -7.921 -4.558 4.760 1.00 0.00 C ATOM 347 CZ TYR A 22 -8.682 -4.272 5.865 1.00 0.00 C ATOM 348 OH TYR A 22 -8.399 -4.881 7.066 1.00 0.00 O ATOM 0 H TYR A 22 -9.606 -4.239 -0.061 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.520 -3.263 1.964 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -8.671 -2.331 1.525 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -9.880 -1.352 2.331 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -10.825 -2.087 4.503 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.607 -4.187 2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -10.319 -3.161 6.647 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.099 -5.254 4.836 1.00 0.00 H new ATOM 0 HH TYR A 22 -9.224 -4.978 7.586 1.00 0.00 H new ATOM 358 N PRO A 23 -11.963 -1.112 0.496 1.00 0.00 N ATOM 359 CA PRO A 23 -12.456 -0.174 -0.503 1.00 0.00 C ATOM 360 C PRO A 23 -11.344 0.630 -1.147 1.00 0.00 C ATOM 361 O PRO A 23 -10.391 1.038 -0.480 1.00 0.00 O ATOM 362 CB PRO A 23 -13.366 0.767 0.279 1.00 0.00 C ATOM 363 CG PRO A 23 -13.671 0.060 1.544 1.00 0.00 C ATOM 364 CD PRO A 23 -12.480 -0.792 1.839 1.00 0.00 C ATOM 0 HA PRO A 23 -12.955 -0.702 -1.315 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.873 1.720 0.471 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.277 0.985 -0.278 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.854 0.768 2.352 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -14.570 -0.548 1.444 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.742 -0.261 2.440 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.753 -1.691 2.391 1.00 0.00 H new ATOM 372 N ALA A 24 -11.490 0.876 -2.435 1.00 0.00 N ATOM 373 CA ALA A 24 -10.532 1.652 -3.221 1.00 0.00 C ATOM 374 C ALA A 24 -10.371 3.057 -2.681 1.00 0.00 C ATOM 375 O ALA A 24 -9.298 3.655 -2.766 1.00 0.00 O ATOM 376 CB ALA A 24 -10.932 1.665 -4.680 1.00 0.00 C ATOM 0 H ALA A 24 -12.286 0.541 -2.978 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.560 1.167 -3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.208 2.247 -5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.956 0.644 -5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.920 2.114 -4.782 1.00 0.00 H new ATOM 382 N GLY A 25 -11.426 3.544 -2.092 1.00 0.00 N ATOM 383 CA GLY A 25 -11.442 4.871 -1.528 1.00 0.00 C ATOM 384 C GLY A 25 -10.898 4.914 -0.108 1.00 0.00 C ATOM 385 O GLY A 25 -10.885 5.974 0.527 1.00 0.00 O ATOM 0 H GLY A 25 -12.303 3.034 -1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.852 5.536 -2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.464 5.251 -1.533 1.00 0.00 H new ATOM 389 N MET A 26 -10.458 3.775 0.405 1.00 0.00 N ATOM 390 CA MET A 26 -9.895 3.727 1.742 1.00 0.00 C ATOM 391 C MET A 26 -8.430 4.158 1.715 1.00 0.00 C ATOM 392 O MET A 26 -7.737 3.983 0.702 1.00 0.00 O ATOM 393 CB MET A 26 -10.056 2.327 2.369 1.00 0.00 C ATOM 394 CG MET A 26 -9.558 2.232 3.806 1.00 0.00 C ATOM 395 SD MET A 26 -10.393 3.415 4.893 1.00 0.00 S ATOM 396 CE MET A 26 -12.085 2.830 4.817 1.00 0.00 C ATOM 0 H MET A 26 -10.480 2.879 -0.081 1.00 0.00 H new ATOM 0 HA MET A 26 -10.446 4.426 2.370 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.109 2.046 2.341 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.516 1.603 1.759 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.719 1.221 4.179 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.483 2.413 3.830 1.00 0.00 H new ATOM 0 HE1 MET A 26 -12.662 3.279 5.626 1.00 0.00 H new ATOM 0 HE2 MET A 26 -12.524 3.110 3.860 1.00 0.00 H new ATOM 0 HE3 MET A 26 -12.100 1.745 4.919 1.00 0.00 H new ATOM 406 N SER A 27 -7.979 4.711 2.813 1.00 0.00 N ATOM 407 CA SER A 27 -6.642 5.213 2.952 1.00 0.00 C ATOM 408 C SER A 27 -5.684 4.125 3.353 1.00 0.00 C ATOM 409 O SER A 27 -6.073 3.129 3.984 1.00 0.00 O ATOM 410 CB SER A 27 -6.647 6.289 4.019 1.00 0.00 C ATOM 411 OG SER A 27 -7.197 5.803 5.227 1.00 0.00 O ATOM 0 H SER A 27 -8.547 4.826 3.652 1.00 0.00 H new ATOM 0 HA SER A 27 -6.314 5.612 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.629 6.638 4.193 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.223 7.147 3.672 1.00 0.00 H new ATOM 0 HG SER A 27 -7.188 6.515 5.900 1.00 0.00 H new ATOM 417 N LEU A 28 -4.428 4.309 2.977 1.00 0.00 N ATOM 418 CA LEU A 28 -3.353 3.422 3.402 1.00 0.00 C ATOM 419 C LEU A 28 -3.292 3.412 4.907 1.00 0.00 C ATOM 420 O LEU A 28 -3.091 2.363 5.530 1.00 0.00 O ATOM 421 CB LEU A 28 -2.032 3.942 2.806 1.00 0.00 C ATOM 422 CG LEU A 28 -0.699 3.199 3.114 1.00 0.00 C ATOM 423 CD1 LEU A 28 0.350 3.610 2.103 1.00 0.00 C ATOM 424 CD2 LEU A 28 -0.173 3.580 4.497 1.00 0.00 C ATOM 0 H LEU A 28 -4.125 5.072 2.372 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.527 2.404 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.150 3.963 1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.912 4.975 3.133 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.893 2.127 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.284 3.091 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.011 3.349 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.511 4.686 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.759 3.049 4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.007 4.654 4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.909 3.309 5.254 1.00 0.00 H new ATOM 436 N ASN A 29 -3.485 4.575 5.480 1.00 0.00 N ATOM 437 CA ASN A 29 -3.389 4.725 6.924 1.00 0.00 C ATOM 438 C ASN A 29 -4.412 3.911 7.660 1.00 0.00 C ATOM 439 O ASN A 29 -4.071 3.232 8.608 1.00 0.00 O ATOM 440 CB ASN A 29 -3.433 6.178 7.400 1.00 0.00 C ATOM 441 CG ASN A 29 -2.207 6.990 7.030 1.00 0.00 C ATOM 442 OD1 ASN A 29 -1.110 6.452 6.871 1.00 0.00 O ATOM 443 ND2 ASN A 29 -2.373 8.288 6.926 1.00 0.00 N ATOM 0 H ASN A 29 -3.709 5.433 4.976 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.400 4.337 7.167 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.315 6.660 6.979 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.550 6.190 8.484 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.578 8.888 6.707 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.297 8.697 7.065 1.00 0.00 H new ATOM 450 N ASP A 30 -5.658 3.943 7.208 1.00 0.00 N ATOM 451 CA ASP A 30 -6.730 3.223 7.909 1.00 0.00 C ATOM 452 C ASP A 30 -6.591 1.745 7.720 1.00 0.00 C ATOM 453 O ASP A 30 -6.833 0.955 8.650 1.00 0.00 O ATOM 454 CB ASP A 30 -8.087 3.634 7.400 1.00 0.00 C ATOM 455 CG ASP A 30 -9.215 3.067 8.254 1.00 0.00 C ATOM 456 OD1 ASP A 30 -9.508 3.657 9.315 1.00 0.00 O ATOM 457 OD2 ASP A 30 -9.814 2.033 7.889 1.00 0.00 O ATOM 0 H ASP A 30 -5.956 4.449 6.374 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.642 3.475 8.966 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.155 4.722 7.387 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.206 3.295 6.371 1.00 0.00 H new ATOM 462 N LEU A 31 -6.171 1.361 6.529 1.00 0.00 N ATOM 463 CA LEU A 31 -6.042 -0.032 6.189 1.00 0.00 C ATOM 464 C LEU A 31 -4.989 -0.607 7.079 1.00 0.00 C ATOM 465 O LEU A 31 -5.184 -1.640 7.730 1.00 0.00 O ATOM 466 CB LEU A 31 -5.654 -0.171 4.697 1.00 0.00 C ATOM 467 CG LEU A 31 -5.754 -1.578 4.048 1.00 0.00 C ATOM 468 CD1 LEU A 31 -5.553 -1.477 2.567 1.00 0.00 C ATOM 469 CD2 LEU A 31 -4.737 -2.556 4.610 1.00 0.00 C ATOM 0 H LEU A 31 -5.913 2.004 5.780 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.981 -0.566 6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.285 0.508 4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.627 0.177 4.585 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.750 -1.956 4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.625 -2.469 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.319 -0.831 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.568 -1.058 2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.853 -3.523 4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.731 -2.177 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.897 -2.671 5.682 1.00 0.00 H new ATOM 481 N LYS A 32 -3.879 0.072 7.144 1.00 0.00 N ATOM 482 CA LYS A 32 -2.856 -0.343 7.959 1.00 0.00 C ATOM 483 C LYS A 32 -3.126 -0.191 9.404 1.00 0.00 C ATOM 484 O LYS A 32 -2.741 -1.001 10.105 1.00 0.00 O ATOM 485 CB LYS A 32 -1.609 0.288 7.585 1.00 0.00 C ATOM 486 CG LYS A 32 -1.170 -0.138 6.226 1.00 0.00 C ATOM 487 CD LYS A 32 0.206 0.345 5.956 1.00 0.00 C ATOM 488 CE LYS A 32 1.130 0.054 7.126 1.00 0.00 C ATOM 489 NZ LYS A 32 1.243 -1.401 7.469 1.00 0.00 N ATOM 0 H LYS A 32 -3.692 0.926 6.619 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.771 -1.418 7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.726 1.371 7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.839 0.035 8.314 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.203 -1.225 6.150 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.855 0.255 5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.592 -0.134 5.056 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.186 1.418 5.763 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.123 0.440 6.896 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.772 0.596 8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.742 -1.587 8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.820 -1.971 6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.246 -1.656 7.575 1.00 0.00 H new ATOM 503 N LYS A 33 -3.805 0.842 9.841 1.00 0.00 N ATOM 504 CA LYS A 33 -4.090 1.028 11.260 1.00 0.00 C ATOM 505 C LYS A 33 -4.900 -0.179 11.803 1.00 0.00 C ATOM 506 O LYS A 33 -4.840 -0.512 12.987 1.00 0.00 O ATOM 507 CB LYS A 33 -4.873 2.331 11.429 1.00 0.00 C ATOM 508 CG LYS A 33 -4.956 2.854 12.839 1.00 0.00 C ATOM 509 CD LYS A 33 -3.572 3.138 13.405 1.00 0.00 C ATOM 510 CE LYS A 33 -2.776 4.159 12.577 1.00 0.00 C ATOM 511 NZ LYS A 33 -3.432 5.494 12.499 1.00 0.00 N ATOM 0 H LYS A 33 -4.176 1.576 9.237 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.161 1.087 11.827 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.414 3.095 10.802 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.886 2.178 11.056 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.553 3.766 12.856 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.467 2.127 13.470 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.673 3.507 14.426 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.010 2.206 13.458 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.783 4.275 13.012 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.638 3.770 11.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.846 6.136 11.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.369 5.395 12.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.540 5.884 13.457 1.00 0.00 H new ATOM 525 N LYS A 34 -5.635 -0.823 10.912 1.00 0.00 N ATOM 526 CA LYS A 34 -6.388 -2.019 11.220 1.00 0.00 C ATOM 527 C LYS A 34 -5.406 -3.203 11.356 1.00 0.00 C ATOM 528 O LYS A 34 -5.567 -4.078 12.212 1.00 0.00 O ATOM 529 CB LYS A 34 -7.356 -2.270 10.064 1.00 0.00 C ATOM 530 CG LYS A 34 -8.447 -3.293 10.330 1.00 0.00 C ATOM 531 CD LYS A 34 -9.354 -2.857 11.477 1.00 0.00 C ATOM 532 CE LYS A 34 -10.087 -1.539 11.190 1.00 0.00 C ATOM 533 NZ LYS A 34 -10.979 -1.606 10.001 1.00 0.00 N ATOM 0 H LYS A 34 -5.724 -0.522 9.941 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.942 -1.909 12.152 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.827 -1.324 9.797 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.781 -2.596 9.197 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.042 -3.435 9.428 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.995 -4.256 10.568 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.087 -3.640 11.672 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.758 -2.746 12.383 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.678 -1.263 12.063 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.352 -0.748 11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.481 -0.702 9.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.410 -1.790 9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.670 -2.373 10.128 1.00 0.00 H new ATOM 547 N LEU A 35 -4.404 -3.200 10.503 1.00 0.00 N ATOM 548 CA LEU A 35 -3.347 -4.190 10.494 1.00 0.00 C ATOM 549 C LEU A 35 -2.349 -3.943 11.615 1.00 0.00 C ATOM 550 O LEU A 35 -1.939 -4.862 12.285 1.00 0.00 O ATOM 551 CB LEU A 35 -2.641 -4.152 9.147 1.00 0.00 C ATOM 552 CG LEU A 35 -3.463 -4.538 7.920 1.00 0.00 C ATOM 553 CD1 LEU A 35 -2.600 -4.467 6.678 1.00 0.00 C ATOM 554 CD2 LEU A 35 -4.061 -5.932 8.073 1.00 0.00 C ATOM 0 H LEU A 35 -4.299 -2.491 9.778 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.788 -5.174 10.655 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.258 -3.143 8.994 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.778 -4.816 9.199 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.287 -3.831 7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.193 -4.744 5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.224 -3.451 6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.760 -5.155 6.779 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.641 -6.179 7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.259 -6.660 8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.711 -5.955 8.948 1.00 0.00 H new ATOM 566 N GLU A 36 -1.992 -2.690 11.812 1.00 0.00 N ATOM 567 CA GLU A 36 -1.086 -2.236 12.828 1.00 0.00 C ATOM 568 C GLU A 36 -1.599 -2.607 14.189 1.00 0.00 C ATOM 569 O GLU A 36 -0.834 -2.822 15.111 1.00 0.00 O ATOM 570 CB GLU A 36 -0.899 -0.732 12.728 1.00 0.00 C ATOM 571 CG GLU A 36 -0.226 -0.239 11.455 1.00 0.00 C ATOM 572 CD GLU A 36 1.065 -0.946 11.115 1.00 0.00 C ATOM 573 OE1 GLU A 36 2.011 -0.866 11.887 1.00 0.00 O ATOM 574 OE2 GLU A 36 1.119 -1.594 10.035 1.00 0.00 O ATOM 0 H GLU A 36 -2.348 -1.928 11.234 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.121 -2.720 12.677 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.876 -0.256 12.810 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.310 -0.399 13.582 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.920 -0.357 10.623 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.026 0.828 11.554 1.00 0.00 H new ATOM 581 N LEU A 37 -2.904 -2.659 14.307 1.00 0.00 N ATOM 582 CA LEU A 37 -3.565 -3.116 15.507 1.00 0.00 C ATOM 583 C LEU A 37 -3.107 -4.553 15.835 1.00 0.00 C ATOM 584 O LEU A 37 -2.901 -4.903 16.994 1.00 0.00 O ATOM 585 CB LEU A 37 -5.091 -3.056 15.302 1.00 0.00 C ATOM 586 CG LEU A 37 -5.968 -3.491 16.478 1.00 0.00 C ATOM 587 CD1 LEU A 37 -5.749 -2.592 17.683 1.00 0.00 C ATOM 588 CD2 LEU A 37 -7.433 -3.497 16.075 1.00 0.00 C ATOM 0 H LEU A 37 -3.545 -2.382 13.564 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.301 -2.473 16.347 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.358 -2.032 15.041 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.342 -3.679 14.444 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.681 -4.505 16.758 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.384 -2.923 18.504 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.704 -2.642 17.989 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.001 -1.564 17.421 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.042 -3.809 16.923 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.729 -2.495 15.764 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.580 -4.192 15.248 1.00 0.00 H new ATOM 600 N VAL A 38 -2.909 -5.349 14.799 1.00 0.00 N ATOM 601 CA VAL A 38 -2.457 -6.731 14.930 1.00 0.00 C ATOM 602 C VAL A 38 -0.919 -6.791 14.921 1.00 0.00 C ATOM 603 O VAL A 38 -0.322 -7.600 15.611 1.00 0.00 O ATOM 604 CB VAL A 38 -3.008 -7.613 13.770 1.00 0.00 C ATOM 605 CG1 VAL A 38 -2.598 -9.074 13.929 1.00 0.00 C ATOM 606 CG2 VAL A 38 -4.515 -7.488 13.673 1.00 0.00 C ATOM 0 H VAL A 38 -3.057 -5.056 13.833 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.836 -7.116 15.877 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.568 -7.248 12.842 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.001 -9.657 13.101 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.511 -9.149 13.930 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.989 -9.461 14.870 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.880 -8.112 12.857 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.968 -7.814 14.609 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.782 -6.449 13.483 1.00 0.00 H new ATOM 616 N VAL A 39 -0.296 -5.901 14.164 1.00 0.00 N ATOM 617 CA VAL A 39 1.173 -5.887 14.030 1.00 0.00 C ATOM 618 C VAL A 39 1.835 -5.240 15.251 1.00 0.00 C ATOM 619 O VAL A 39 2.996 -5.509 15.562 1.00 0.00 O ATOM 620 CB VAL A 39 1.621 -5.155 12.709 1.00 0.00 C ATOM 621 CG1 VAL A 39 3.136 -5.157 12.547 1.00 0.00 C ATOM 622 CG2 VAL A 39 0.973 -5.801 11.495 1.00 0.00 C ATOM 0 H VAL A 39 -0.774 -5.176 13.629 1.00 0.00 H new ATOM 0 HA VAL A 39 1.503 -6.924 13.972 1.00 0.00 H new ATOM 0 HB VAL A 39 1.291 -4.119 12.786 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.404 -4.643 11.624 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.593 -4.645 13.394 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.496 -6.185 12.507 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.294 -5.282 10.592 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.271 -6.848 11.437 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.111 -5.737 11.584 1.00 0.00 H new ATOM 632 N GLY A 40 1.101 -4.411 15.947 1.00 0.00 N ATOM 633 CA GLY A 40 1.620 -3.784 17.137 1.00 0.00 C ATOM 634 C GLY A 40 2.538 -2.639 16.811 1.00 0.00 C ATOM 635 O GLY A 40 3.231 -2.116 17.681 1.00 0.00 O ATOM 0 H GLY A 40 0.142 -4.154 15.711 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.793 -3.424 17.748 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.157 -4.523 17.732 1.00 0.00 H new ATOM 639 N THR A 41 2.551 -2.252 15.562 1.00 0.00 N ATOM 640 CA THR A 41 3.388 -1.168 15.129 1.00 0.00 C ATOM 641 C THR A 41 2.473 0.026 14.734 1.00 0.00 C ATOM 642 O THR A 41 1.243 -0.059 14.884 1.00 0.00 O ATOM 643 CB THR A 41 4.279 -1.660 13.943 1.00 0.00 C ATOM 644 OG1 THR A 41 4.911 -2.903 14.335 1.00 0.00 O ATOM 645 CG2 THR A 41 5.389 -0.668 13.605 1.00 0.00 C ATOM 0 H THR A 41 1.987 -2.675 14.825 1.00 0.00 H new ATOM 0 HA THR A 41 4.057 -0.832 15.921 1.00 0.00 H new ATOM 0 HB THR A 41 3.638 -1.775 13.069 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.474 -3.229 13.602 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.981 -1.054 12.775 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.949 0.288 13.323 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.031 -0.530 14.475 1.00 0.00 H new ATOM 653 N THR A 42 3.048 1.123 14.319 1.00 0.00 N ATOM 654 CA THR A 42 2.300 2.261 13.878 1.00 0.00 C ATOM 655 C THR A 42 2.869 2.686 12.516 1.00 0.00 C ATOM 656 O THR A 42 4.010 2.329 12.176 1.00 0.00 O ATOM 657 CB THR A 42 2.451 3.413 14.878 1.00 0.00 C ATOM 658 OG1 THR A 42 2.338 2.887 16.212 1.00 0.00 O ATOM 659 CG2 THR A 42 1.344 4.447 14.691 1.00 0.00 C ATOM 0 H THR A 42 4.059 1.249 14.279 1.00 0.00 H new ATOM 0 HA THR A 42 1.242 2.012 13.799 1.00 0.00 H new ATOM 0 HB THR A 42 3.420 3.885 14.714 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.435 3.616 16.860 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.474 5.254 15.412 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.392 4.853 13.680 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.374 3.974 14.846 1.00 0.00 H new ATOM 667 N VAL A 43 2.117 3.477 11.784 1.00 0.00 N ATOM 668 CA VAL A 43 2.469 3.849 10.412 1.00 0.00 C ATOM 669 C VAL A 43 3.730 4.739 10.361 1.00 0.00 C ATOM 670 O VAL A 43 4.477 4.716 9.393 1.00 0.00 O ATOM 671 CB VAL A 43 1.274 4.533 9.679 1.00 0.00 C ATOM 672 CG1 VAL A 43 1.607 4.823 8.221 1.00 0.00 C ATOM 673 CG2 VAL A 43 0.019 3.669 9.772 1.00 0.00 C ATOM 0 H VAL A 43 1.242 3.886 12.113 1.00 0.00 H new ATOM 0 HA VAL A 43 2.700 2.924 9.884 1.00 0.00 H new ATOM 0 HB VAL A 43 1.084 5.484 10.177 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.753 5.299 7.740 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.469 5.488 8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.838 3.889 7.708 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.803 4.164 9.255 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.209 2.701 9.309 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.246 3.524 10.819 1.00 0.00 H new ATOM 683 N ASP A 44 3.973 5.492 11.428 1.00 0.00 N ATOM 684 CA ASP A 44 5.154 6.375 11.516 1.00 0.00 C ATOM 685 C ASP A 44 6.452 5.586 11.424 1.00 0.00 C ATOM 686 O ASP A 44 7.432 6.043 10.848 1.00 0.00 O ATOM 687 CB ASP A 44 5.144 7.180 12.816 1.00 0.00 C ATOM 688 CG ASP A 44 6.341 8.106 12.941 1.00 0.00 C ATOM 689 OD1 ASP A 44 6.301 9.210 12.370 1.00 0.00 O ATOM 690 OD2 ASP A 44 7.329 7.751 13.631 1.00 0.00 O ATOM 0 H ASP A 44 3.372 5.516 12.252 1.00 0.00 H new ATOM 0 HA ASP A 44 5.100 7.059 10.669 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.228 7.768 12.867 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.130 6.494 13.663 1.00 0.00 H new ATOM 695 N SER A 45 6.448 4.400 11.981 1.00 0.00 N ATOM 696 CA SER A 45 7.589 3.560 12.000 1.00 0.00 C ATOM 697 C SER A 45 7.547 2.554 10.854 1.00 0.00 C ATOM 698 O SER A 45 8.425 1.698 10.724 1.00 0.00 O ATOM 699 CB SER A 45 7.561 2.818 13.294 1.00 0.00 C ATOM 700 OG SER A 45 7.588 3.707 14.399 1.00 0.00 O ATOM 0 H SER A 45 5.630 3.997 12.438 1.00 0.00 H new ATOM 0 HA SER A 45 8.493 4.159 11.891 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.664 2.201 13.343 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.415 2.143 13.347 1.00 0.00 H new ATOM 0 HG SER A 45 7.567 3.193 15.233 1.00 0.00 H new ATOM 706 N MET A 46 6.551 2.673 10.042 1.00 0.00 N ATOM 707 CA MET A 46 6.297 1.723 8.994 1.00 0.00 C ATOM 708 C MET A 46 6.571 2.328 7.615 1.00 0.00 C ATOM 709 O MET A 46 6.236 3.473 7.356 1.00 0.00 O ATOM 710 CB MET A 46 4.834 1.294 9.084 1.00 0.00 C ATOM 711 CG MET A 46 4.414 0.213 8.113 1.00 0.00 C ATOM 712 SD MET A 46 5.192 -1.374 8.409 1.00 0.00 S ATOM 713 CE MET A 46 4.565 -1.781 10.041 1.00 0.00 C ATOM 0 H MET A 46 5.879 3.439 10.082 1.00 0.00 H new ATOM 0 HA MET A 46 6.961 0.868 9.118 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.637 0.945 10.098 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.206 2.170 8.921 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.332 0.091 8.166 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.649 0.538 7.099 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.894 -2.783 10.318 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.944 -1.061 10.766 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.476 -1.747 10.031 1.00 0.00 H new ATOM 723 N ARG A 47 7.227 1.570 6.784 1.00 0.00 N ATOM 724 CA ARG A 47 7.429 1.898 5.375 1.00 0.00 C ATOM 725 C ARG A 47 6.595 0.961 4.552 1.00 0.00 C ATOM 726 O ARG A 47 6.432 -0.210 4.917 1.00 0.00 O ATOM 727 CB ARG A 47 8.910 1.862 4.930 1.00 0.00 C ATOM 728 CG ARG A 47 9.746 3.077 5.331 1.00 0.00 C ATOM 729 CD ARG A 47 9.736 3.301 6.808 1.00 0.00 C ATOM 730 NE ARG A 47 10.535 4.452 7.216 1.00 0.00 N ATOM 731 CZ ARG A 47 10.193 5.277 8.202 1.00 0.00 C ATOM 732 NH1 ARG A 47 8.989 5.168 8.769 1.00 0.00 N ATOM 733 NH2 ARG A 47 11.018 6.236 8.589 1.00 0.00 N ATOM 0 H ARG A 47 7.651 0.684 7.059 1.00 0.00 H new ATOM 0 HA ARG A 47 7.117 2.931 5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.375 0.969 5.347 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.943 1.762 3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.773 2.938 4.992 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.361 3.964 4.827 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.708 3.443 7.141 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.113 2.409 7.308 1.00 0.00 H new ATOM 0 HE ARG A 47 11.405 4.634 6.717 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.336 4.454 8.446 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.723 5.798 9.525 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.923 6.346 8.131 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.750 6.865 9.346 1.00 0.00 H new ATOM 747 N ILE A 48 6.039 1.456 3.489 1.00 0.00 N ATOM 748 CA ILE A 48 5.105 0.685 2.697 1.00 0.00 C ATOM 749 C ILE A 48 5.570 0.620 1.251 1.00 0.00 C ATOM 750 O ILE A 48 5.692 1.648 0.582 1.00 0.00 O ATOM 751 CB ILE A 48 3.627 1.253 2.736 1.00 0.00 C ATOM 752 CG1 ILE A 48 3.029 1.314 4.164 1.00 0.00 C ATOM 753 CG2 ILE A 48 2.708 0.417 1.860 1.00 0.00 C ATOM 754 CD1 ILE A 48 3.571 2.400 5.076 1.00 0.00 C ATOM 0 H ILE A 48 6.212 2.399 3.140 1.00 0.00 H new ATOM 0 HA ILE A 48 5.084 -0.310 3.142 1.00 0.00 H new ATOM 0 HB ILE A 48 3.694 2.274 2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.951 1.447 4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.194 0.350 4.645 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.698 0.824 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.067 0.439 0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.700 -0.612 2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.076 2.341 6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.644 2.263 5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.382 3.377 4.631 1.00 0.00 H new ATOM 766 N GLN A 49 5.793 -0.576 0.765 1.00 0.00 N ATOM 767 CA GLN A 49 6.260 -0.770 -0.575 1.00 0.00 C ATOM 768 C GLN A 49 5.213 -1.428 -1.438 1.00 0.00 C ATOM 769 O GLN A 49 4.471 -2.297 -0.976 1.00 0.00 O ATOM 770 CB GLN A 49 7.567 -1.577 -0.635 1.00 0.00 C ATOM 771 CG GLN A 49 8.762 -0.882 -0.005 1.00 0.00 C ATOM 772 CD GLN A 49 8.699 -0.806 1.496 1.00 0.00 C ATOM 773 OE1 GLN A 49 8.162 -1.682 2.153 1.00 0.00 O ATOM 774 NE2 GLN A 49 9.165 0.254 2.036 1.00 0.00 N ATOM 0 H GLN A 49 5.654 -1.439 1.291 1.00 0.00 H new ATOM 0 HA GLN A 49 6.465 0.226 -0.966 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.413 -2.533 -0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.797 -1.796 -1.678 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.671 -1.409 -0.295 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.837 0.128 -0.408 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.609 0.968 1.458 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.094 0.386 3.045 1.00 0.00 H new ATOM 783 N LEU A 50 5.154 -1.027 -2.685 1.00 0.00 N ATOM 784 CA LEU A 50 4.195 -1.619 -3.619 1.00 0.00 C ATOM 785 C LEU A 50 4.934 -2.530 -4.568 1.00 0.00 C ATOM 786 O LEU A 50 5.816 -2.092 -5.317 1.00 0.00 O ATOM 787 CB LEU A 50 3.437 -0.502 -4.435 1.00 0.00 C ATOM 788 CG LEU A 50 2.200 -0.898 -5.326 1.00 0.00 C ATOM 789 CD1 LEU A 50 1.534 0.356 -5.852 1.00 0.00 C ATOM 790 CD2 LEU A 50 2.586 -1.768 -6.516 1.00 0.00 C ATOM 0 H LEU A 50 5.748 -0.301 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 50 3.455 -2.185 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.099 0.250 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.167 -0.020 -5.085 1.00 0.00 H new ATOM 0 HG LEU A 50 1.525 -1.472 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.678 0.082 -6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.197 0.968 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.247 0.922 -6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.694 -2.010 -7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.292 -1.229 -7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.048 -2.689 -6.159 1.00 0.00 H new ATOM 802 N PHE A 51 4.590 -3.781 -4.516 1.00 0.00 N ATOM 803 CA PHE A 51 5.093 -4.763 -5.426 1.00 0.00 C ATOM 804 C PHE A 51 3.986 -5.108 -6.383 1.00 0.00 C ATOM 805 O PHE A 51 2.823 -5.255 -5.980 1.00 0.00 O ATOM 806 CB PHE A 51 5.599 -6.015 -4.699 1.00 0.00 C ATOM 807 CG PHE A 51 6.855 -5.803 -3.895 1.00 0.00 C ATOM 808 CD1 PHE A 51 6.801 -5.360 -2.585 1.00 0.00 C ATOM 809 CD2 PHE A 51 8.092 -6.061 -4.457 1.00 0.00 C ATOM 810 CE1 PHE A 51 7.964 -5.173 -1.859 1.00 0.00 C ATOM 811 CE2 PHE A 51 9.253 -5.878 -3.736 1.00 0.00 C ATOM 812 CZ PHE A 51 9.189 -5.436 -2.435 1.00 0.00 C ATOM 0 H PHE A 51 3.939 -4.155 -3.826 1.00 0.00 H new ATOM 0 HA PHE A 51 5.951 -4.357 -5.962 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.814 -6.377 -4.035 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.781 -6.799 -5.434 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.844 -5.159 -2.126 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.150 -6.411 -5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 51 7.912 -4.820 -0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 51 10.211 -6.081 -4.192 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.096 -5.295 -1.866 1.00 0.00 H new ATOM 822 N ASP A 52 4.317 -5.210 -7.630 1.00 0.00 N ATOM 823 CA ASP A 52 3.314 -5.445 -8.648 1.00 0.00 C ATOM 824 C ASP A 52 3.048 -6.936 -8.743 1.00 0.00 C ATOM 825 O ASP A 52 3.479 -7.716 -7.889 1.00 0.00 O ATOM 826 CB ASP A 52 3.834 -4.901 -9.986 1.00 0.00 C ATOM 827 CG ASP A 52 2.788 -4.672 -11.069 1.00 0.00 C ATOM 828 OD1 ASP A 52 2.380 -5.626 -11.746 1.00 0.00 O ATOM 829 OD2 ASP A 52 2.402 -3.526 -11.278 1.00 0.00 O ATOM 0 H ASP A 52 5.272 -5.136 -7.980 1.00 0.00 H new ATOM 0 HA ASP A 52 2.382 -4.938 -8.396 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.344 -3.957 -9.797 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.581 -5.595 -10.372 1.00 0.00 H new ATOM 834 N GLY A 53 2.385 -7.318 -9.771 1.00 0.00 N ATOM 835 CA GLY A 53 2.048 -8.694 -9.985 1.00 0.00 C ATOM 836 C GLY A 53 3.204 -9.420 -10.614 1.00 0.00 C ATOM 837 O GLY A 53 3.268 -10.658 -10.598 1.00 0.00 O ATOM 0 H GLY A 53 2.053 -6.686 -10.500 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.787 -9.164 -9.037 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.171 -8.765 -10.628 1.00 0.00 H new ATOM 841 N ASP A 54 4.121 -8.647 -11.187 1.00 0.00 N ATOM 842 CA ASP A 54 5.307 -9.188 -11.779 1.00 0.00 C ATOM 843 C ASP A 54 6.278 -9.695 -10.692 1.00 0.00 C ATOM 844 O ASP A 54 6.351 -10.911 -10.438 1.00 0.00 O ATOM 845 CB ASP A 54 5.978 -8.186 -12.788 1.00 0.00 C ATOM 846 CG ASP A 54 6.375 -6.828 -12.210 1.00 0.00 C ATOM 847 OD1 ASP A 54 7.465 -6.723 -11.616 1.00 0.00 O ATOM 848 OD2 ASP A 54 5.613 -5.854 -12.357 1.00 0.00 O ATOM 0 H ASP A 54 4.049 -7.631 -11.246 1.00 0.00 H new ATOM 0 HA ASP A 54 5.021 -10.052 -12.378 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.869 -8.658 -13.202 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.291 -8.020 -13.618 1.00 0.00 H new ATOM 853 N ASP A 55 6.969 -8.775 -10.026 1.00 0.00 N ATOM 854 CA ASP A 55 7.926 -9.092 -8.978 1.00 0.00 C ATOM 855 C ASP A 55 8.543 -7.833 -8.390 1.00 0.00 C ATOM 856 O ASP A 55 8.688 -7.715 -7.179 1.00 0.00 O ATOM 857 CB ASP A 55 9.049 -9.995 -9.509 1.00 0.00 C ATOM 858 CG ASP A 55 10.120 -10.291 -8.477 1.00 0.00 C ATOM 859 OD1 ASP A 55 9.914 -11.163 -7.618 1.00 0.00 O ATOM 860 OD2 ASP A 55 11.199 -9.665 -8.530 1.00 0.00 O ATOM 0 H ASP A 55 6.877 -7.775 -10.204 1.00 0.00 H new ATOM 0 HA ASP A 55 7.376 -9.618 -8.198 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.618 -10.935 -9.854 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.510 -9.519 -10.374 1.00 0.00 H new ATOM 865 N GLN A 56 8.877 -6.890 -9.243 1.00 0.00 N ATOM 866 CA GLN A 56 9.624 -5.726 -8.820 1.00 0.00 C ATOM 867 C GLN A 56 8.787 -4.624 -8.185 1.00 0.00 C ATOM 868 O GLN A 56 7.602 -4.396 -8.542 1.00 0.00 O ATOM 869 CB GLN A 56 10.530 -5.201 -9.932 1.00 0.00 C ATOM 870 CG GLN A 56 9.825 -4.834 -11.215 1.00 0.00 C ATOM 871 CD GLN A 56 10.787 -4.484 -12.333 1.00 0.00 C ATOM 872 OE1 GLN A 56 11.910 -4.995 -12.389 1.00 0.00 O ATOM 873 NE2 GLN A 56 10.365 -3.646 -13.227 1.00 0.00 N ATOM 0 H GLN A 56 8.643 -6.906 -10.236 1.00 0.00 H new ATOM 0 HA GLN A 56 10.260 -6.079 -8.008 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.060 -4.323 -9.563 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.283 -5.958 -10.153 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.196 -5.667 -11.530 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.164 -3.987 -11.032 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.431 -3.244 -13.148 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.967 -3.389 -14.009 1.00 0.00 H new ATOM 882 N LEU A 57 9.428 -3.954 -7.249 1.00 0.00 N ATOM 883 CA LEU A 57 8.879 -2.878 -6.467 1.00 0.00 C ATOM 884 C LEU A 57 8.650 -1.675 -7.352 1.00 0.00 C ATOM 885 O LEU A 57 9.562 -1.189 -8.025 1.00 0.00 O ATOM 886 CB LEU A 57 9.861 -2.591 -5.285 1.00 0.00 C ATOM 887 CG LEU A 57 9.494 -1.542 -4.203 1.00 0.00 C ATOM 888 CD1 LEU A 57 10.406 -1.730 -3.015 1.00 0.00 C ATOM 889 CD2 LEU A 57 9.694 -0.124 -4.699 1.00 0.00 C ATOM 0 H LEU A 57 10.397 -4.161 -7.005 1.00 0.00 H new ATOM 0 HA LEU A 57 7.909 -3.140 -6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.035 -3.537 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.812 -2.286 -5.722 1.00 0.00 H new ATOM 0 HG LEU A 57 8.445 -1.687 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.158 -0.998 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.278 -2.735 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.442 -1.593 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.425 0.579 -3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.739 0.021 -4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.062 0.049 -5.570 1.00 0.00 H new ATOM 901 N LYS A 58 7.432 -1.223 -7.364 1.00 0.00 N ATOM 902 CA LYS A 58 7.031 -0.103 -8.169 1.00 0.00 C ATOM 903 C LYS A 58 7.331 1.192 -7.467 1.00 0.00 C ATOM 904 O LYS A 58 7.841 2.125 -8.075 1.00 0.00 O ATOM 905 CB LYS A 58 5.545 -0.210 -8.497 1.00 0.00 C ATOM 906 CG LYS A 58 5.206 -1.362 -9.440 1.00 0.00 C ATOM 907 CD LYS A 58 5.721 -1.088 -10.851 1.00 0.00 C ATOM 908 CE LYS A 58 5.548 -2.293 -11.770 1.00 0.00 C ATOM 909 NZ LYS A 58 6.421 -3.442 -11.384 1.00 0.00 N ATOM 0 H LYS A 58 6.677 -1.625 -6.808 1.00 0.00 H new ATOM 0 HA LYS A 58 7.598 -0.116 -9.100 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.985 -0.334 -7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.213 0.726 -8.947 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.644 -2.286 -9.063 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.126 -1.509 -9.466 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.190 -0.234 -11.271 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.776 -0.816 -10.805 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.506 -2.612 -11.752 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.774 -1.999 -12.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.903 -4.333 -11.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.276 -3.442 -11.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.692 -3.352 -10.384 1.00 0.00 H new ATOM 923 N GLY A 59 7.042 1.252 -6.196 1.00 0.00 N ATOM 924 CA GLY A 59 7.312 2.461 -5.481 1.00 0.00 C ATOM 925 C GLY A 59 7.120 2.352 -3.996 1.00 0.00 C ATOM 926 O GLY A 59 6.606 1.338 -3.487 1.00 0.00 O ATOM 0 H GLY A 59 6.630 0.497 -5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.338 2.768 -5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.663 3.249 -5.863 1.00 0.00 H new ATOM 930 N GLU A 60 7.545 3.389 -3.324 1.00 0.00 N ATOM 931 CA GLU A 60 7.420 3.556 -1.891 1.00 0.00 C ATOM 932 C GLU A 60 6.244 4.470 -1.680 1.00 0.00 C ATOM 933 O GLU A 60 6.197 5.577 -2.231 1.00 0.00 O ATOM 934 CB GLU A 60 8.705 4.223 -1.367 1.00 0.00 C ATOM 935 CG GLU A 60 8.785 4.496 0.135 1.00 0.00 C ATOM 936 CD GLU A 60 8.914 3.255 0.981 1.00 0.00 C ATOM 937 OE1 GLU A 60 10.002 2.591 0.920 1.00 0.00 O ATOM 938 OE2 GLU A 60 7.993 2.956 1.748 1.00 0.00 O ATOM 0 H GLU A 60 8.009 4.177 -3.776 1.00 0.00 H new ATOM 0 HA GLU A 60 7.278 2.609 -1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.550 3.592 -1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.832 5.171 -1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.638 5.146 0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.892 5.041 0.442 1.00 0.00 H new ATOM 945 N LEU A 61 5.289 4.003 -0.948 1.00 0.00 N ATOM 946 CA LEU A 61 4.088 4.758 -0.726 1.00 0.00 C ATOM 947 C LEU A 61 4.233 5.754 0.414 1.00 0.00 C ATOM 948 O LEU A 61 4.702 6.854 0.224 1.00 0.00 O ATOM 949 CB LEU A 61 2.869 3.838 -0.507 1.00 0.00 C ATOM 950 CG LEU A 61 2.529 2.803 -1.589 1.00 0.00 C ATOM 951 CD1 LEU A 61 2.362 3.432 -2.955 1.00 0.00 C ATOM 952 CD2 LEU A 61 3.530 1.687 -1.630 1.00 0.00 C ATOM 0 H LEU A 61 5.312 3.094 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 61 3.913 5.334 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.023 3.301 0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.994 4.474 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 61 1.566 2.375 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.122 2.659 -3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.554 4.163 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.289 3.928 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.252 0.977 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.519 2.093 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.548 1.179 -0.666 1.00 0.00 H new ATOM 964 N THR A 62 3.771 5.328 1.551 1.00 0.00 N ATOM 965 CA THR A 62 3.809 6.002 2.873 1.00 0.00 C ATOM 966 C THR A 62 2.701 7.071 3.037 1.00 0.00 C ATOM 967 O THR A 62 2.539 7.648 4.116 1.00 0.00 O ATOM 968 CB THR A 62 5.239 6.523 3.362 1.00 0.00 C ATOM 969 OG1 THR A 62 5.217 6.693 4.792 1.00 0.00 O ATOM 970 CG2 THR A 62 5.610 7.882 2.764 1.00 0.00 C ATOM 0 H THR A 62 3.310 4.420 1.614 1.00 0.00 H new ATOM 0 HA THR A 62 3.587 5.189 3.565 1.00 0.00 H new ATOM 0 HB THR A 62 5.968 5.780 3.038 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.368 7.104 5.060 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.590 8.186 3.131 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.637 7.806 1.677 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.867 8.624 3.057 1.00 0.00 H new ATOM 978 N ASP A 63 1.918 7.295 1.986 1.00 0.00 N ATOM 979 CA ASP A 63 0.828 8.273 2.041 1.00 0.00 C ATOM 980 C ASP A 63 -0.461 7.579 2.303 1.00 0.00 C ATOM 981 O ASP A 63 -0.851 6.686 1.555 1.00 0.00 O ATOM 982 CB ASP A 63 0.663 9.052 0.737 1.00 0.00 C ATOM 983 CG ASP A 63 1.875 9.836 0.329 1.00 0.00 C ATOM 984 OD1 ASP A 63 2.034 10.982 0.793 1.00 0.00 O ATOM 985 OD2 ASP A 63 2.678 9.339 -0.481 1.00 0.00 O ATOM 0 H ASP A 63 2.014 6.818 1.090 1.00 0.00 H new ATOM 0 HA ASP A 63 1.086 8.970 2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.411 8.353 -0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.180 9.735 0.840 1.00 0.00 H new ATOM 990 N GLY A 64 -1.131 7.979 3.330 1.00 0.00 N ATOM 991 CA GLY A 64 -2.389 7.391 3.631 1.00 0.00 C ATOM 992 C GLY A 64 -3.440 8.407 3.889 1.00 0.00 C ATOM 993 O GLY A 64 -4.431 8.114 4.524 1.00 0.00 O ATOM 0 H GLY A 64 -0.828 8.710 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.698 6.755 2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.287 6.748 4.505 1.00 0.00 H new ATOM 997 N ALA A 65 -3.219 9.617 3.440 1.00 0.00 N ATOM 998 CA ALA A 65 -4.269 10.607 3.500 1.00 0.00 C ATOM 999 C ALA A 65 -5.080 10.497 2.228 1.00 0.00 C ATOM 1000 O ALA A 65 -6.187 11.032 2.111 1.00 0.00 O ATOM 1001 CB ALA A 65 -3.713 12.007 3.679 1.00 0.00 C ATOM 0 H ALA A 65 -2.339 9.938 3.036 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.902 10.420 4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.534 12.722 3.719 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.143 12.056 4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.061 12.250 2.840 1.00 0.00 H new ATOM 1007 N LYS A 66 -4.523 9.758 1.283 1.00 0.00 N ATOM 1008 CA LYS A 66 -5.151 9.504 0.016 1.00 0.00 C ATOM 1009 C LYS A 66 -5.585 8.044 -0.023 1.00 0.00 C ATOM 1010 O LYS A 66 -5.283 7.281 0.910 1.00 0.00 O ATOM 1011 CB LYS A 66 -4.175 9.829 -1.122 1.00 0.00 C ATOM 1012 CG LYS A 66 -2.858 9.061 -1.049 1.00 0.00 C ATOM 1013 CD LYS A 66 -1.911 9.428 -2.187 1.00 0.00 C ATOM 1014 CE LYS A 66 -1.491 10.887 -2.157 1.00 0.00 C ATOM 1015 NZ LYS A 66 -0.559 11.206 -3.257 1.00 0.00 N ATOM 0 H LYS A 66 -3.609 9.316 1.385 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.029 10.138 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.658 9.611 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.962 10.898 -1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.373 9.266 -0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.062 7.991 -1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.023 8.798 -2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.395 9.214 -3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.374 11.522 -2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.017 11.110 -1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.293 12.210 -3.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.294 10.617 -3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.021 11.016 -4.169 1.00 0.00 H new ATOM 1029 N SER A 67 -6.269 7.647 -1.069 1.00 0.00 N ATOM 1030 CA SER A 67 -6.758 6.324 -1.177 1.00 0.00 C ATOM 1031 C SER A 67 -5.663 5.467 -1.756 1.00 0.00 C ATOM 1032 O SER A 67 -4.703 5.992 -2.349 1.00 0.00 O ATOM 1033 CB SER A 67 -7.902 6.325 -2.163 1.00 0.00 C ATOM 1034 OG SER A 67 -8.768 7.428 -1.949 1.00 0.00 O ATOM 0 H SER A 67 -6.494 8.246 -1.863 1.00 0.00 H new ATOM 0 HA SER A 67 -7.077 5.952 -0.203 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.509 6.361 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.464 5.396 -2.071 1.00 0.00 H new ATOM 0 HG SER A 67 -9.497 7.403 -2.603 1.00 0.00 H new ATOM 1040 N LEU A 68 -5.791 4.178 -1.630 1.00 0.00 N ATOM 1041 CA LEU A 68 -4.844 3.310 -2.274 1.00 0.00 C ATOM 1042 C LEU A 68 -5.054 3.335 -3.765 1.00 0.00 C ATOM 1043 O LEU A 68 -4.134 3.096 -4.540 1.00 0.00 O ATOM 1044 CB LEU A 68 -4.867 1.891 -1.749 1.00 0.00 C ATOM 1045 CG LEU A 68 -4.352 1.666 -0.332 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -4.221 0.197 -0.058 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -3.031 2.341 -0.119 1.00 0.00 C ATOM 0 H LEU A 68 -6.525 3.710 -1.099 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.853 3.696 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.894 1.529 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.279 1.271 -2.425 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.073 2.102 0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.852 0.048 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.195 -0.281 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.521 -0.244 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.691 2.162 0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.300 1.940 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.140 3.413 -0.282 1.00 0.00 H new ATOM 1059 N LYS A 69 -6.269 3.660 -4.156 1.00 0.00 N ATOM 1060 CA LYS A 69 -6.631 3.767 -5.561 1.00 0.00 C ATOM 1061 C LYS A 69 -5.806 4.879 -6.188 1.00 0.00 C ATOM 1062 O LYS A 69 -5.270 4.730 -7.286 1.00 0.00 O ATOM 1063 CB LYS A 69 -8.116 4.096 -5.697 1.00 0.00 C ATOM 1064 CG LYS A 69 -8.638 4.103 -7.126 1.00 0.00 C ATOM 1065 CD LYS A 69 -10.108 4.487 -7.177 1.00 0.00 C ATOM 1066 CE LYS A 69 -10.651 4.409 -8.591 1.00 0.00 C ATOM 1067 NZ LYS A 69 -12.062 4.839 -8.666 1.00 0.00 N ATOM 0 H LYS A 69 -7.035 3.858 -3.512 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.435 2.820 -6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.689 3.371 -5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.299 5.074 -5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.056 4.804 -7.724 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.502 3.117 -7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.681 3.825 -6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.235 5.499 -6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.046 5.035 -9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.564 3.386 -8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.324 4.999 -9.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.672 4.100 -8.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.185 5.721 -8.130 1.00 0.00 H new ATOM 1081 N ASP A 70 -5.681 5.977 -5.442 1.00 0.00 N ATOM 1082 CA ASP A 70 -4.904 7.153 -5.857 1.00 0.00 C ATOM 1083 C ASP A 70 -3.427 6.807 -5.936 1.00 0.00 C ATOM 1084 O ASP A 70 -2.695 7.333 -6.759 1.00 0.00 O ATOM 1085 CB ASP A 70 -5.109 8.276 -4.854 1.00 0.00 C ATOM 1086 CG ASP A 70 -4.510 9.592 -5.311 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -5.102 10.248 -6.193 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -3.477 10.009 -4.772 1.00 0.00 O ATOM 0 H ASP A 70 -6.118 6.079 -4.526 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.245 7.473 -6.842 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.177 8.410 -4.679 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.663 7.991 -3.901 1.00 0.00 H new ATOM 1093 N LEU A 71 -3.011 5.903 -5.071 1.00 0.00 N ATOM 1094 CA LEU A 71 -1.625 5.405 -5.056 1.00 0.00 C ATOM 1095 C LEU A 71 -1.348 4.449 -6.220 1.00 0.00 C ATOM 1096 O LEU A 71 -0.197 4.064 -6.466 1.00 0.00 O ATOM 1097 CB LEU A 71 -1.284 4.697 -3.733 1.00 0.00 C ATOM 1098 CG LEU A 71 -1.168 5.564 -2.466 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -0.824 4.701 -1.283 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -0.096 6.611 -2.651 1.00 0.00 C ATOM 0 H LEU A 71 -3.610 5.487 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.990 6.285 -5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.046 3.939 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.338 4.172 -3.868 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.125 6.055 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.744 5.322 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.606 3.955 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.127 4.199 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.022 7.219 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.860 6.123 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.352 7.248 -3.498 1.00 0.00 H new ATOM 1112 N GLY A 72 -2.390 4.060 -6.917 1.00 0.00 N ATOM 1113 CA GLY A 72 -2.239 3.178 -8.049 1.00 0.00 C ATOM 1114 C GLY A 72 -2.428 1.730 -7.673 1.00 0.00 C ATOM 1115 O GLY A 72 -2.083 0.829 -8.436 1.00 0.00 O ATOM 0 H GLY A 72 -3.351 4.341 -6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.963 3.449 -8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.248 3.313 -8.482 1.00 0.00 H new ATOM 1119 N VAL A 73 -2.978 1.503 -6.509 1.00 0.00 N ATOM 1120 CA VAL A 73 -3.194 0.168 -6.020 1.00 0.00 C ATOM 1121 C VAL A 73 -4.601 -0.298 -6.374 1.00 0.00 C ATOM 1122 O VAL A 73 -5.601 0.314 -5.978 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.016 0.092 -4.486 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -3.190 -1.334 -3.975 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -1.675 0.664 -4.052 1.00 0.00 C ATOM 0 H VAL A 73 -3.288 2.238 -5.874 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.453 -0.477 -6.492 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.799 0.705 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.058 -1.351 -2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.189 -1.691 -4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.447 -1.981 -4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.583 0.595 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.869 0.099 -4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.610 1.709 -4.355 1.00 0.00 H new ATOM 1135 N ARG A 74 -4.664 -1.346 -7.135 1.00 0.00 N ATOM 1136 CA ARG A 74 -5.911 -1.973 -7.499 1.00 0.00 C ATOM 1137 C ARG A 74 -5.882 -3.384 -6.941 1.00 0.00 C ATOM 1138 O ARG A 74 -5.054 -3.696 -6.073 1.00 0.00 O ATOM 1139 CB ARG A 74 -6.052 -2.064 -9.015 1.00 0.00 C ATOM 1140 CG ARG A 74 -5.917 -0.763 -9.772 1.00 0.00 C ATOM 1141 CD ARG A 74 -6.101 -1.005 -11.264 1.00 0.00 C ATOM 1142 NE ARG A 74 -5.159 -2.024 -11.779 1.00 0.00 N ATOM 1143 CZ ARG A 74 -4.681 -2.082 -13.027 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -5.040 -1.182 -13.930 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -3.854 -3.061 -13.368 1.00 0.00 N ATOM 0 H ARG A 74 -3.842 -1.802 -7.530 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.743 -1.389 -7.106 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.300 -2.759 -9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.026 -2.495 -9.244 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.659 -0.048 -9.417 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.937 -0.324 -9.585 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.124 -1.327 -11.456 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.955 -0.070 -11.804 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.848 -2.744 -11.126 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.687 -0.435 -13.677 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.669 -1.236 -14.879 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.586 -3.765 -12.680 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.486 -3.110 -14.318 1.00 0.00 H new ATOM 1159 N ASP A 75 -6.755 -4.232 -7.432 1.00 0.00 N ATOM 1160 CA ASP A 75 -6.787 -5.622 -7.002 1.00 0.00 C ATOM 1161 C ASP A 75 -5.583 -6.342 -7.539 1.00 0.00 C ATOM 1162 O ASP A 75 -5.096 -6.041 -8.639 1.00 0.00 O ATOM 1163 CB ASP A 75 -8.016 -6.362 -7.526 1.00 0.00 C ATOM 1164 CG ASP A 75 -9.320 -5.736 -7.147 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -9.738 -4.767 -7.819 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -9.961 -6.217 -6.199 1.00 0.00 O ATOM 0 H ASP A 75 -7.457 -3.989 -8.131 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.808 -5.612 -5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.956 -6.418 -8.613 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.996 -7.386 -7.152 1.00 0.00 H new ATOM 1171 N GLY A 76 -5.115 -7.268 -6.786 1.00 0.00 N ATOM 1172 CA GLY A 76 -4.019 -8.105 -7.204 1.00 0.00 C ATOM 1173 C GLY A 76 -2.642 -7.531 -6.919 1.00 0.00 C ATOM 1174 O GLY A 76 -1.635 -8.110 -7.330 1.00 0.00 O ATOM 0 H GLY A 76 -5.474 -7.479 -5.855 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.106 -9.071 -6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.107 -8.289 -8.275 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.579 -6.406 -6.235 1.00 0.00 N ATOM 1179 CA TYR A 77 -1.286 -5.827 -5.894 1.00 0.00 C ATOM 1180 C TYR A 77 -0.785 -6.310 -4.574 1.00 0.00 C ATOM 1181 O TYR A 77 -1.566 -6.653 -3.675 1.00 0.00 O ATOM 1182 CB TYR A 77 -1.272 -4.301 -5.964 1.00 0.00 C ATOM 1183 CG TYR A 77 -1.275 -3.770 -7.371 1.00 0.00 C ATOM 1184 CD1 TYR A 77 -0.097 -3.692 -8.091 1.00 0.00 C ATOM 1185 CD2 TYR A 77 -2.431 -3.352 -7.976 1.00 0.00 C ATOM 1186 CE1 TYR A 77 -0.079 -3.215 -9.379 1.00 0.00 C ATOM 1187 CE2 TYR A 77 -2.423 -2.869 -9.265 1.00 0.00 C ATOM 1188 CZ TYR A 77 -1.249 -2.804 -9.961 1.00 0.00 C ATOM 1189 OH TYR A 77 -1.247 -2.331 -11.251 1.00 0.00 O ATOM 0 H TYR A 77 -3.389 -5.879 -5.907 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.597 -6.180 -6.662 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.142 -3.912 -5.434 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.389 -3.928 -5.444 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.827 -4.012 -7.632 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -3.363 -3.402 -7.433 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.850 -3.164 -9.928 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.343 -2.542 -9.726 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.159 -2.083 -11.510 1.00 0.00 H new ATOM 1199 N ARG A 78 0.509 -6.353 -4.449 1.00 0.00 N ATOM 1200 CA ARG A 78 1.136 -6.796 -3.287 1.00 0.00 C ATOM 1201 C ARG A 78 1.684 -5.591 -2.547 1.00 0.00 C ATOM 1202 O ARG A 78 2.500 -4.840 -3.070 1.00 0.00 O ATOM 1203 CB ARG A 78 2.254 -7.699 -3.725 1.00 0.00 C ATOM 1204 CG ARG A 78 3.043 -8.343 -2.640 1.00 0.00 C ATOM 1205 CD ARG A 78 4.147 -9.153 -3.263 1.00 0.00 C ATOM 1206 NE ARG A 78 3.631 -10.164 -4.198 1.00 0.00 N ATOM 1207 CZ ARG A 78 4.267 -10.591 -5.305 1.00 0.00 C ATOM 1208 NH1 ARG A 78 5.516 -10.202 -5.551 1.00 0.00 N ATOM 1209 NH2 ARG A 78 3.659 -11.426 -6.147 1.00 0.00 N ATOM 0 H ARG A 78 1.155 -6.068 -5.185 1.00 0.00 H new ATOM 0 HA ARG A 78 0.454 -7.328 -2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.834 -8.483 -4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.937 -7.121 -4.348 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.459 -7.586 -1.975 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.401 -8.982 -2.034 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.831 -8.488 -3.790 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.722 -9.645 -2.479 1.00 0.00 H new ATOM 0 HE ARG A 78 2.720 -10.574 -3.992 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.994 -9.579 -4.900 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.995 -10.527 -6.391 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.709 -11.743 -5.954 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.144 -11.748 -6.985 1.00 0.00 H new ATOM 1223 N ILE A 79 1.239 -5.416 -1.358 1.00 0.00 N ATOM 1224 CA ILE A 79 1.651 -4.318 -0.547 1.00 0.00 C ATOM 1225 C ILE A 79 2.521 -4.846 0.560 1.00 0.00 C ATOM 1226 O ILE A 79 2.130 -5.744 1.297 1.00 0.00 O ATOM 1227 CB ILE A 79 0.430 -3.553 0.040 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -0.457 -2.975 -1.084 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.861 -2.456 1.009 1.00 0.00 C ATOM 1230 CD1 ILE A 79 0.252 -1.990 -2.004 1.00 0.00 C ATOM 0 H ILE A 79 0.567 -6.038 -0.908 1.00 0.00 H new ATOM 0 HA ILE A 79 2.208 -3.610 -1.160 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.161 -4.275 0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.844 -3.799 -1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.316 -2.478 -0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.021 -1.946 1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.417 -2.899 1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.495 -1.739 0.488 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.445 -1.635 -2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.615 -1.144 -1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.094 -2.485 -2.488 1.00 0.00 H new ATOM 1242 N HIS A 80 3.688 -4.333 0.648 1.00 0.00 N ATOM 1243 CA HIS A 80 4.625 -4.738 1.641 1.00 0.00 C ATOM 1244 C HIS A 80 4.758 -3.661 2.683 1.00 0.00 C ATOM 1245 O HIS A 80 4.773 -2.492 2.365 1.00 0.00 O ATOM 1246 CB HIS A 80 5.985 -5.052 0.989 1.00 0.00 C ATOM 1247 CG HIS A 80 7.074 -5.343 1.968 1.00 0.00 C ATOM 1248 ND1 HIS A 80 7.183 -6.527 2.654 1.00 0.00 N ATOM 1249 CD2 HIS A 80 8.067 -4.557 2.411 1.00 0.00 C ATOM 1250 CE1 HIS A 80 8.192 -6.455 3.493 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.753 -5.267 3.365 1.00 0.00 N ATOM 0 H HIS A 80 4.033 -3.605 0.023 1.00 0.00 H new ATOM 0 HA HIS A 80 4.268 -5.645 2.128 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.869 -5.908 0.325 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.284 -4.206 0.370 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.575 -7.337 2.532 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.286 -3.553 2.079 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.508 -7.234 4.171 1.00 0.00 H new ATOM 1260 N ALA A 81 4.819 -4.056 3.909 1.00 0.00 N ATOM 1261 CA ALA A 81 5.017 -3.140 4.975 1.00 0.00 C ATOM 1262 C ALA A 81 6.195 -3.585 5.793 1.00 0.00 C ATOM 1263 O ALA A 81 6.317 -4.766 6.128 1.00 0.00 O ATOM 1264 CB ALA A 81 3.760 -3.041 5.817 1.00 0.00 C ATOM 0 H ALA A 81 4.732 -5.030 4.200 1.00 0.00 H new ATOM 0 HA ALA A 81 5.226 -2.146 4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.923 -2.336 6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.933 -2.695 5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.519 -4.021 6.228 1.00 0.00 H new ATOM 1270 N VAL A 82 7.070 -2.675 6.080 1.00 0.00 N ATOM 1271 CA VAL A 82 8.219 -2.974 6.858 1.00 0.00 C ATOM 1272 C VAL A 82 8.407 -1.905 7.913 1.00 0.00 C ATOM 1273 O VAL A 82 8.344 -0.709 7.622 1.00 0.00 O ATOM 1274 CB VAL A 82 9.486 -3.109 5.952 1.00 0.00 C ATOM 1275 CG1 VAL A 82 9.771 -1.833 5.163 1.00 0.00 C ATOM 1276 CG2 VAL A 82 10.708 -3.530 6.749 1.00 0.00 C ATOM 0 H VAL A 82 7.004 -1.703 5.779 1.00 0.00 H new ATOM 0 HA VAL A 82 8.074 -3.933 7.355 1.00 0.00 H new ATOM 0 HB VAL A 82 9.265 -3.898 5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.660 -1.976 4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.920 -1.604 4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.937 -1.007 5.855 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.566 -3.612 6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.915 -2.785 7.518 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.521 -4.495 7.220 1.00 0.00 H new ATOM 1286 N ASP A 83 8.610 -2.318 9.117 1.00 0.00 N ATOM 1287 CA ASP A 83 8.788 -1.428 10.167 1.00 0.00 C ATOM 1288 C ASP A 83 10.250 -1.305 10.494 1.00 0.00 C ATOM 1289 O ASP A 83 11.014 -2.274 10.421 1.00 0.00 O ATOM 1290 CB ASP A 83 8.005 -1.870 11.376 1.00 0.00 C ATOM 1291 CG ASP A 83 8.542 -3.097 12.048 1.00 0.00 C ATOM 1292 OD1 ASP A 83 8.289 -4.221 11.560 1.00 0.00 O ATOM 1293 OD2 ASP A 83 9.218 -2.947 13.088 1.00 0.00 O ATOM 0 H ASP A 83 8.654 -3.302 9.384 1.00 0.00 H new ATOM 0 HA ASP A 83 8.415 -0.449 9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.985 -1.054 12.099 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.973 -2.056 11.077 1.00 0.00 H new ATOM 1298 N VAL A 84 10.646 -0.117 10.791 1.00 0.00 N ATOM 1299 CA VAL A 84 12.011 0.169 11.120 1.00 0.00 C ATOM 1300 C VAL A 84 12.217 0.234 12.642 1.00 0.00 C ATOM 1301 O VAL A 84 13.316 0.500 13.119 1.00 0.00 O ATOM 1302 CB VAL A 84 12.443 1.502 10.473 1.00 0.00 C ATOM 1303 CG1 VAL A 84 12.360 1.405 8.955 1.00 0.00 C ATOM 1304 CG2 VAL A 84 11.583 2.655 10.967 1.00 0.00 C ATOM 0 H VAL A 84 10.031 0.696 10.815 1.00 0.00 H new ATOM 0 HA VAL A 84 12.628 -0.640 10.729 1.00 0.00 H new ATOM 0 HB VAL A 84 13.476 1.696 10.763 1.00 0.00 H new ATOM 0 HG11 VAL A 84 12.668 2.352 8.513 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.018 0.610 8.605 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.334 1.183 8.660 1.00 0.00 H new ATOM 0 HG21 VAL A 84 11.910 3.581 10.495 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.540 2.466 10.712 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.682 2.745 12.049 1.00 0.00 H new ATOM 1314 N THR A 85 11.161 -0.020 13.396 1.00 0.00 N ATOM 1315 CA THR A 85 11.244 0.089 14.841 1.00 0.00 C ATOM 1316 C THR A 85 11.584 -1.245 15.508 1.00 0.00 C ATOM 1317 O THR A 85 12.281 -1.284 16.531 1.00 0.00 O ATOM 1318 CB THR A 85 9.944 0.697 15.439 1.00 0.00 C ATOM 1319 OG1 THR A 85 10.067 0.893 16.853 1.00 0.00 O ATOM 1320 CG2 THR A 85 8.731 -0.180 15.159 1.00 0.00 C ATOM 0 H THR A 85 10.248 -0.299 13.037 1.00 0.00 H new ATOM 0 HA THR A 85 12.067 0.771 15.055 1.00 0.00 H new ATOM 0 HB THR A 85 9.798 1.662 14.953 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.237 1.278 17.203 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.842 0.279 15.593 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.597 -0.283 14.082 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.884 -1.164 15.601 1.00 0.00 H new