USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 655 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 43 ASN : amide:sc= 1.17 K(o=3.2,f=-0.67) USER MOD Set 1.2: A 58 TYR OH : rot 0:sc= 2.06 USER MOD Set 2.1: A 18 ASN : amide:sc= 0.311 K(o=-0.048,f=-2.2!) USER MOD Set 2.2: A 21 GLN : amide:sc= -0.359 X(o=-0.048,f=0.096) USER MOD Single : A 3 GLN : amide:sc= -0.0905 X(o=-0.091,f=-0.33) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -144:sc= 0.666 (180deg=0.396) USER MOD Single : A 12 ASN : amide:sc= -0.0115 K(o=-0.011,f=-1) USER MOD Single : A 13 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.005) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -122:sc= -0.0318 (180deg=-1.31) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.306 USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= -0.0429 (180deg=-0.246) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.153 F(o=-0.88,f=-0.15) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN :FLIP amide:sc= -1.2 F(o=-2.3!,f=-1.2) USER MOD Single : A 57 ASN : amide:sc= 0.969 K(o=0.97,f=-1.8!) USER MOD Single : A 59 GLN : amide:sc= 0.8 K(o=0.8,f=-1.5) USER MOD Single : A 60 SER OG : rot 81:sc= 1.18 USER MOD Single : A 65 ASN : amide:sc= 0.358 K(o=0.36,f=-1.2) USER MOD Single : A 68 SER OG : rot 110:sc= 1.37 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= -0.0348 (180deg=-0.386) USER MOD Single : A 76 MET CE :methyl -163:sc= -0.0757 (180deg=-0.534) USER MOD Single : A 78 MET CE :methyl 148:sc= -3.69! (180deg=-5.62!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 3 -4.168 11.427 10.374 1.00 34.52 N ATOM 33 CA GLN A 3 -3.672 11.861 9.069 1.00 30.42 C ATOM 34 C GLN A 3 -3.806 10.732 8.048 1.00 74.20 C ATOM 35 O GLN A 3 -3.911 10.969 6.848 1.00 15.10 O ATOM 36 CB GLN A 3 -2.215 12.317 9.156 1.00 51.33 C ATOM 37 CG GLN A 3 -1.211 11.189 9.347 1.00 62.23 C ATOM 38 CD GLN A 3 0.218 11.688 9.327 1.00 73.50 C ATOM 39 OE1 GLN A 3 0.790 12.013 10.364 1.00 20.50 O ATOM 40 NE2 GLN A 3 0.799 11.762 8.139 1.00 72.34 N ATOM 0 HA GLN A 3 -4.276 12.709 8.746 1.00 30.42 H new ATOM 0 HB2 GLN A 3 -1.963 12.861 8.246 1.00 51.33 H new ATOM 0 HB3 GLN A 3 -2.116 13.019 9.984 1.00 51.33 H new ATOM 0 HG2 GLN A 3 -1.406 10.688 10.295 1.00 62.23 H new ATOM 0 HG3 GLN A 3 -1.346 10.447 8.560 1.00 62.23 H new ATOM 0 HE21 GLN A 3 0.287 11.482 7.303 1.00 72.34 H new ATOM 0 HE22 GLN A 3 1.758 12.099 8.061 1.00 72.34 H new ATOM 49 N LEU A 4 -3.809 9.500 8.542 1.00 4.30 N ATOM 50 CA LEU A 4 -3.995 8.330 7.697 1.00 61.31 C ATOM 51 C LEU A 4 -5.412 8.299 7.137 1.00 40.32 C ATOM 52 O LEU A 4 -5.655 7.746 6.064 1.00 11.23 O ATOM 53 CB LEU A 4 -3.700 7.063 8.497 1.00 23.03 C ATOM 54 CG LEU A 4 -2.271 6.970 9.032 1.00 1.23 C ATOM 55 CD1 LEU A 4 -2.168 5.904 10.104 1.00 31.31 C ATOM 56 CD2 LEU A 4 -1.300 6.681 7.898 1.00 64.54 C ATOM 0 H LEU A 4 -3.684 9.286 9.531 1.00 4.30 H new ATOM 0 HA LEU A 4 -3.302 8.382 6.858 1.00 61.31 H new ATOM 0 HB2 LEU A 4 -4.393 7.009 9.337 1.00 23.03 H new ATOM 0 HB3 LEU A 4 -3.895 6.196 7.866 1.00 23.03 H new ATOM 0 HG LEU A 4 -2.008 7.929 9.479 1.00 1.23 H new ATOM 0 HD11 LEU A 4 -1.143 5.855 10.471 1.00 31.31 H new ATOM 0 HD12 LEU A 4 -2.837 6.151 10.928 1.00 31.31 H new ATOM 0 HD13 LEU A 4 -2.450 4.938 9.685 1.00 31.31 H new ATOM 0 HD21 LEU A 4 -0.286 6.618 8.294 1.00 64.54 H new ATOM 0 HD22 LEU A 4 -1.564 5.735 7.425 1.00 64.54 H new ATOM 0 HD23 LEU A 4 -1.352 7.483 7.161 1.00 64.54 H new ATOM 68 N LYS A 5 -6.342 8.903 7.869 1.00 14.14 N ATOM 69 CA LYS A 5 -7.708 9.065 7.391 1.00 23.44 C ATOM 70 C LYS A 5 -7.716 10.086 6.266 1.00 62.01 C ATOM 71 O LYS A 5 -8.392 9.913 5.260 1.00 30.43 O ATOM 72 CB LYS A 5 -8.620 9.535 8.522 1.00 22.53 C ATOM 73 CG LYS A 5 -10.094 9.569 8.158 1.00 50.24 C ATOM 74 CD LYS A 5 -10.874 10.423 9.139 1.00 63.24 C ATOM 75 CE LYS A 5 -10.625 11.901 8.895 1.00 74.44 C ATOM 76 NZ LYS A 5 -10.973 12.729 10.077 1.00 5.32 N ATOM 0 H LYS A 5 -6.173 9.289 8.798 1.00 14.14 H new ATOM 0 HA LYS A 5 -8.078 8.106 7.028 1.00 23.44 H new ATOM 0 HB2 LYS A 5 -8.484 8.877 9.381 1.00 22.53 H new ATOM 0 HB3 LYS A 5 -8.311 10.533 8.833 1.00 22.53 H new ATOM 0 HG2 LYS A 5 -10.215 9.964 7.149 1.00 50.24 H new ATOM 0 HG3 LYS A 5 -10.495 8.555 8.153 1.00 50.24 H new ATOM 0 HD2 LYS A 5 -11.939 10.210 9.045 1.00 63.24 H new ATOM 0 HD3 LYS A 5 -10.586 10.166 10.158 1.00 63.24 H new ATOM 0 HE2 LYS A 5 -9.576 12.054 8.642 1.00 74.44 H new ATOM 0 HE3 LYS A 5 -11.211 12.230 8.037 1.00 74.44 H new ATOM 0 HZ1 LYS A 5 -10.787 13.730 9.866 1.00 5.32 H new ATOM 0 HZ2 LYS A 5 -11.980 12.604 10.304 1.00 5.32 H new ATOM 0 HZ3 LYS A 5 -10.395 12.434 10.890 1.00 5.32 H new ATOM 90 N THR A 6 -6.937 11.148 6.455 1.00 4.43 N ATOM 91 CA THR A 6 -6.733 12.159 5.430 1.00 3.12 C ATOM 92 C THR A 6 -6.253 11.511 4.135 1.00 13.11 C ATOM 93 O THR A 6 -6.767 11.791 3.050 1.00 15.24 O ATOM 94 CB THR A 6 -5.691 13.190 5.905 1.00 65.54 C ATOM 95 OG1 THR A 6 -6.120 13.772 7.141 1.00 42.31 O ATOM 96 CG2 THR A 6 -5.468 14.281 4.870 1.00 14.42 C ATOM 0 H THR A 6 -6.432 11.329 7.322 1.00 4.43 H new ATOM 0 HA THR A 6 -7.682 12.662 5.247 1.00 3.12 H new ATOM 0 HB THR A 6 -4.744 12.670 6.049 1.00 65.54 H new ATOM 0 HG1 THR A 6 -5.456 14.426 7.443 1.00 42.31 H new ATOM 0 HG21 THR A 6 -4.727 14.989 5.241 1.00 14.42 H new ATOM 0 HG22 THR A 6 -5.111 13.835 3.942 1.00 14.42 H new ATOM 0 HG23 THR A 6 -6.407 14.803 4.684 1.00 14.42 H new ATOM 104 N ILE A 7 -5.269 10.633 4.275 1.00 14.04 N ATOM 105 CA ILE A 7 -4.733 9.874 3.157 1.00 11.33 C ATOM 106 C ILE A 7 -5.825 9.036 2.500 1.00 51.11 C ATOM 107 O ILE A 7 -5.930 8.992 1.275 1.00 42.14 O ATOM 108 CB ILE A 7 -3.574 8.976 3.638 1.00 31.13 C ATOM 109 CG1 ILE A 7 -2.469 9.862 4.223 1.00 15.24 C ATOM 110 CG2 ILE A 7 -3.039 8.112 2.498 1.00 3.10 C ATOM 111 CD1 ILE A 7 -1.452 9.115 5.056 1.00 1.13 C ATOM 0 H ILE A 7 -4.821 10.428 5.168 1.00 14.04 H new ATOM 0 HA ILE A 7 -4.351 10.572 2.412 1.00 11.33 H new ATOM 0 HB ILE A 7 -3.939 8.298 4.409 1.00 31.13 H new ATOM 0 HG12 ILE A 7 -1.953 10.367 3.406 1.00 15.24 H new ATOM 0 HG13 ILE A 7 -2.927 10.637 4.838 1.00 15.24 H new ATOM 0 HG21 ILE A 7 -2.223 7.489 2.865 1.00 3.10 H new ATOM 0 HG22 ILE A 7 -3.838 7.476 2.118 1.00 3.10 H new ATOM 0 HG23 ILE A 7 -2.673 8.753 1.696 1.00 3.10 H new ATOM 0 HD11 ILE A 7 -0.705 9.814 5.432 1.00 1.13 H new ATOM 0 HD12 ILE A 7 -1.953 8.633 5.895 1.00 1.13 H new ATOM 0 HD13 ILE A 7 -0.963 8.359 4.442 1.00 1.13 H new ATOM 123 N LYS A 8 -6.657 8.401 3.318 1.00 20.52 N ATOM 124 CA LYS A 8 -7.784 7.628 2.808 1.00 74.03 C ATOM 125 C LYS A 8 -8.740 8.530 2.028 1.00 21.10 C ATOM 126 O LYS A 8 -9.152 8.190 0.918 1.00 0.24 O ATOM 127 CB LYS A 8 -8.526 6.924 3.949 1.00 45.35 C ATOM 128 CG LYS A 8 -7.704 5.848 4.644 1.00 45.25 C ATOM 129 CD LYS A 8 -8.493 5.168 5.753 1.00 71.21 C ATOM 130 CE LYS A 8 -7.695 4.048 6.409 1.00 11.30 C ATOM 131 NZ LYS A 8 -6.475 4.549 7.095 1.00 52.35 N ATOM 0 H LYS A 8 -6.573 8.406 4.335 1.00 20.52 H new ATOM 0 HA LYS A 8 -7.395 6.865 2.134 1.00 74.03 H new ATOM 0 HB2 LYS A 8 -8.831 7.668 4.685 1.00 45.35 H new ATOM 0 HB3 LYS A 8 -9.437 6.474 3.555 1.00 45.35 H new ATOM 0 HG2 LYS A 8 -7.387 5.104 3.914 1.00 45.25 H new ATOM 0 HG3 LYS A 8 -6.800 6.292 5.060 1.00 45.25 H new ATOM 0 HD2 LYS A 8 -8.771 5.905 6.506 1.00 71.21 H new ATOM 0 HD3 LYS A 8 -9.419 4.764 5.345 1.00 71.21 H new ATOM 0 HE2 LYS A 8 -8.327 3.529 7.130 1.00 11.30 H new ATOM 0 HE3 LYS A 8 -7.409 3.318 5.652 1.00 11.30 H new ATOM 0 HZ1 LYS A 8 -5.707 3.856 6.988 1.00 52.35 H new ATOM 0 HZ2 LYS A 8 -6.186 5.454 6.672 1.00 52.35 H new ATOM 0 HZ3 LYS A 8 -6.677 4.688 8.106 1.00 52.35 H new ATOM 145 N GLU A 9 -9.064 9.691 2.603 1.00 22.11 N ATOM 146 CA GLU A 9 -9.932 10.669 1.945 1.00 33.33 C ATOM 147 C GLU A 9 -9.356 11.070 0.588 1.00 30.15 C ATOM 148 O GLU A 9 -10.090 11.262 -0.383 1.00 63.24 O ATOM 149 CB GLU A 9 -10.108 11.930 2.807 1.00 55.13 C ATOM 150 CG GLU A 9 -10.758 11.683 4.161 1.00 32.22 C ATOM 151 CD GLU A 9 -11.100 12.975 4.884 1.00 23.44 C ATOM 152 OE1 GLU A 9 -12.179 13.540 4.611 1.00 54.04 O ATOM 153 OE2 GLU A 9 -10.293 13.444 5.720 1.00 12.20 O ATOM 0 H GLU A 9 -8.737 9.977 3.526 1.00 22.11 H new ATOM 0 HA GLU A 9 -10.905 10.198 1.806 1.00 33.33 H new ATOM 0 HB2 GLU A 9 -9.131 12.386 2.965 1.00 55.13 H new ATOM 0 HB3 GLU A 9 -10.711 12.651 2.255 1.00 55.13 H new ATOM 0 HG2 GLU A 9 -11.666 11.096 4.023 1.00 32.22 H new ATOM 0 HG3 GLU A 9 -10.086 11.090 4.781 1.00 32.22 H new ATOM 160 N LEU A 10 -8.037 11.201 0.533 1.00 43.35 N ATOM 161 CA LEU A 10 -7.350 11.599 -0.690 1.00 42.21 C ATOM 162 C LEU A 10 -7.411 10.488 -1.736 1.00 52.21 C ATOM 163 O LEU A 10 -7.771 10.733 -2.885 1.00 3.40 O ATOM 164 CB LEU A 10 -5.898 11.968 -0.378 1.00 60.02 C ATOM 165 CG LEU A 10 -5.724 13.184 0.537 1.00 24.24 C ATOM 166 CD1 LEU A 10 -4.275 13.326 0.968 1.00 52.20 C ATOM 167 CD2 LEU A 10 -6.198 14.447 -0.165 1.00 10.24 C ATOM 0 H LEU A 10 -7.418 11.036 1.326 1.00 43.35 H new ATOM 0 HA LEU A 10 -7.854 12.473 -1.102 1.00 42.21 H new ATOM 0 HB2 LEU A 10 -5.412 11.110 0.086 1.00 60.02 H new ATOM 0 HB3 LEU A 10 -5.378 12.160 -1.316 1.00 60.02 H new ATOM 0 HG LEU A 10 -6.333 13.034 1.429 1.00 24.24 H new ATOM 0 HD11 LEU A 10 -4.172 14.195 1.617 1.00 52.20 H new ATOM 0 HD12 LEU A 10 -3.967 12.431 1.508 1.00 52.20 H new ATOM 0 HD13 LEU A 10 -3.645 13.454 0.088 1.00 52.20 H new ATOM 0 HD21 LEU A 10 -6.068 15.302 0.498 1.00 10.24 H new ATOM 0 HD22 LEU A 10 -5.614 14.600 -1.073 1.00 10.24 H new ATOM 0 HD23 LEU A 10 -7.252 14.346 -0.424 1.00 10.24 H new ATOM 179 N ILE A 11 -7.083 9.269 -1.325 1.00 53.24 N ATOM 180 CA ILE A 11 -7.129 8.114 -2.216 1.00 75.32 C ATOM 181 C ILE A 11 -8.534 7.932 -2.788 1.00 63.32 C ATOM 182 O ILE A 11 -8.702 7.622 -3.970 1.00 24.42 O ATOM 183 CB ILE A 11 -6.693 6.824 -1.481 1.00 4.32 C ATOM 184 CG1 ILE A 11 -5.258 6.968 -0.969 1.00 12.34 C ATOM 185 CG2 ILE A 11 -6.813 5.611 -2.395 1.00 35.14 C ATOM 186 CD1 ILE A 11 -4.794 5.808 -0.116 1.00 10.24 C ATOM 0 H ILE A 11 -6.781 9.053 -0.375 1.00 53.24 H new ATOM 0 HA ILE A 11 -6.432 8.300 -3.033 1.00 75.32 H new ATOM 0 HB ILE A 11 -7.357 6.673 -0.630 1.00 4.32 H new ATOM 0 HG12 ILE A 11 -4.587 7.071 -1.822 1.00 12.34 H new ATOM 0 HG13 ILE A 11 -5.180 7.887 -0.389 1.00 12.34 H new ATOM 0 HG21 ILE A 11 -6.501 4.717 -1.856 1.00 35.14 H new ATOM 0 HG22 ILE A 11 -7.849 5.498 -2.716 1.00 35.14 H new ATOM 0 HG23 ILE A 11 -6.176 5.749 -3.268 1.00 35.14 H new ATOM 0 HD11 ILE A 11 -3.768 5.983 0.209 1.00 10.24 H new ATOM 0 HD12 ILE A 11 -5.441 5.717 0.757 1.00 10.24 H new ATOM 0 HD13 ILE A 11 -4.838 4.888 -0.698 1.00 10.24 H new ATOM 198 N ASN A 12 -9.537 8.155 -1.947 1.00 22.44 N ATOM 199 CA ASN A 12 -10.933 8.033 -2.358 1.00 32.12 C ATOM 200 C ASN A 12 -11.296 9.077 -3.409 1.00 20.23 C ATOM 201 O ASN A 12 -11.884 8.750 -4.441 1.00 13.43 O ATOM 202 CB ASN A 12 -11.864 8.166 -1.149 1.00 5.45 C ATOM 203 CG ASN A 12 -11.806 6.962 -0.227 1.00 40.11 C ATOM 204 OD1 ASN A 12 -11.557 5.839 -0.666 1.00 30.15 O ATOM 205 ND2 ASN A 12 -12.044 7.183 1.056 1.00 42.23 N ATOM 0 H ASN A 12 -9.410 8.423 -0.971 1.00 22.44 H new ATOM 0 HA ASN A 12 -11.060 7.045 -2.799 1.00 32.12 H new ATOM 0 HB2 ASN A 12 -11.597 9.061 -0.587 1.00 5.45 H new ATOM 0 HB3 ASN A 12 -12.888 8.302 -1.498 1.00 5.45 H new ATOM 0 HD21 ASN A 12 -12.025 6.408 1.719 1.00 42.23 H new ATOM 0 HD22 ASN A 12 -12.247 8.128 1.382 1.00 42.23 H new ATOM 212 N GLN A 13 -10.921 10.332 -3.162 1.00 13.24 N ATOM 213 CA GLN A 13 -11.291 11.426 -4.059 1.00 54.11 C ATOM 214 C GLN A 13 -10.432 11.431 -5.323 1.00 10.20 C ATOM 215 O GLN A 13 -10.722 12.155 -6.273 1.00 13.24 O ATOM 216 CB GLN A 13 -11.190 12.775 -3.342 1.00 3.45 C ATOM 217 CG GLN A 13 -9.775 13.185 -2.978 1.00 72.44 C ATOM 218 CD GLN A 13 -9.741 14.388 -2.058 1.00 41.11 C ATOM 219 OE1 GLN A 13 -9.675 15.532 -2.504 1.00 54.11 O ATOM 220 NE2 GLN A 13 -9.801 14.131 -0.761 1.00 30.32 N ATOM 0 H GLN A 13 -10.366 10.615 -2.355 1.00 13.24 H new ATOM 0 HA GLN A 13 -12.327 11.266 -4.358 1.00 54.11 H new ATOM 0 HB2 GLN A 13 -11.626 13.545 -3.978 1.00 3.45 H new ATOM 0 HB3 GLN A 13 -11.790 12.736 -2.433 1.00 3.45 H new ATOM 0 HG2 GLN A 13 -9.270 12.348 -2.496 1.00 72.44 H new ATOM 0 HG3 GLN A 13 -9.220 13.411 -3.888 1.00 72.44 H new ATOM 0 HE21 GLN A 13 -9.855 13.166 -0.434 1.00 30.32 H new ATOM 0 HE22 GLN A 13 -9.793 14.898 -0.088 1.00 30.32 H new ATOM 229 N GLY A 14 -9.371 10.635 -5.325 1.00 64.52 N ATOM 230 CA GLY A 14 -8.551 10.499 -6.515 1.00 34.21 C ATOM 231 C GLY A 14 -7.247 11.262 -6.423 1.00 11.02 C ATOM 232 O GLY A 14 -6.488 11.324 -7.394 1.00 54.30 O ATOM 0 H GLY A 14 -9.063 10.081 -4.526 1.00 64.52 H new ATOM 0 HA2 GLY A 14 -8.337 9.444 -6.684 1.00 34.21 H new ATOM 0 HA3 GLY A 14 -9.113 10.853 -7.379 1.00 34.21 H new ATOM 236 N ASP A 15 -6.981 11.841 -5.261 1.00 5.53 N ATOM 237 CA ASP A 15 -5.741 12.576 -5.047 1.00 12.40 C ATOM 238 C ASP A 15 -4.678 11.636 -4.490 1.00 73.34 C ATOM 239 O ASP A 15 -4.354 11.654 -3.297 1.00 1.14 O ATOM 240 CB ASP A 15 -5.960 13.755 -4.097 1.00 21.21 C ATOM 241 CG ASP A 15 -4.905 14.827 -4.262 1.00 73.35 C ATOM 242 OD1 ASP A 15 -3.757 14.500 -4.633 1.00 64.24 O ATOM 243 OD2 ASP A 15 -5.220 16.015 -4.025 1.00 1.32 O ATOM 0 H ASP A 15 -7.604 11.817 -4.454 1.00 5.53 H new ATOM 0 HA ASP A 15 -5.403 12.975 -6.003 1.00 12.40 H new ATOM 0 HB2 ASP A 15 -6.945 14.186 -4.277 1.00 21.21 H new ATOM 0 HB3 ASP A 15 -5.953 13.396 -3.068 1.00 21.21 H new ATOM 248 N ILE A 16 -4.153 10.802 -5.373 1.00 22.31 N ATOM 249 CA ILE A 16 -3.234 9.744 -4.991 1.00 63.23 C ATOM 250 C ILE A 16 -1.887 10.299 -4.532 1.00 62.35 C ATOM 251 O ILE A 16 -1.347 9.864 -3.519 1.00 1.14 O ATOM 252 CB ILE A 16 -3.018 8.758 -6.161 1.00 3.04 C ATOM 253 CG1 ILE A 16 -4.354 8.143 -6.592 1.00 12.41 C ATOM 254 CG2 ILE A 16 -2.026 7.669 -5.780 1.00 14.04 C ATOM 255 CD1 ILE A 16 -5.062 7.377 -5.493 1.00 10.54 C ATOM 0 H ILE A 16 -4.352 10.840 -6.373 1.00 22.31 H new ATOM 0 HA ILE A 16 -3.687 9.215 -4.152 1.00 63.23 H new ATOM 0 HB ILE A 16 -2.602 9.313 -7.002 1.00 3.04 H new ATOM 0 HG12 ILE A 16 -5.010 8.937 -6.948 1.00 12.41 H new ATOM 0 HG13 ILE A 16 -4.179 7.473 -7.434 1.00 12.41 H new ATOM 0 HG21 ILE A 16 -1.892 6.989 -6.621 1.00 14.04 H new ATOM 0 HG22 ILE A 16 -1.068 8.122 -5.524 1.00 14.04 H new ATOM 0 HG23 ILE A 16 -2.406 7.115 -4.922 1.00 14.04 H new ATOM 0 HD11 ILE A 16 -5.999 6.973 -5.877 1.00 10.54 H new ATOM 0 HD12 ILE A 16 -4.427 6.560 -5.152 1.00 10.54 H new ATOM 0 HD13 ILE A 16 -5.271 8.047 -4.659 1.00 10.54 H new ATOM 267 N GLU A 17 -1.361 11.277 -5.259 1.00 13.52 N ATOM 268 CA GLU A 17 -0.024 11.793 -4.984 1.00 31.32 C ATOM 269 C GLU A 17 0.039 12.505 -3.636 1.00 43.43 C ATOM 270 O GLU A 17 1.043 12.406 -2.926 1.00 64.54 O ATOM 271 CB GLU A 17 0.432 12.724 -6.101 1.00 12.42 C ATOM 272 CG GLU A 17 0.691 12.008 -7.415 1.00 71.51 C ATOM 273 CD GLU A 17 1.837 11.016 -7.332 1.00 60.34 C ATOM 274 OE1 GLU A 17 2.947 11.414 -6.918 1.00 12.31 O ATOM 275 OE2 GLU A 17 1.638 9.833 -7.686 1.00 60.43 O ATOM 0 H GLU A 17 -1.837 11.728 -6.041 1.00 13.52 H new ATOM 0 HA GLU A 17 0.654 10.941 -4.939 1.00 31.32 H new ATOM 0 HB2 GLU A 17 -0.327 13.491 -6.257 1.00 12.42 H new ATOM 0 HB3 GLU A 17 1.343 13.235 -5.789 1.00 12.42 H new ATOM 0 HG2 GLU A 17 -0.214 11.484 -7.722 1.00 71.51 H new ATOM 0 HG3 GLU A 17 0.911 12.745 -8.187 1.00 71.51 H new ATOM 282 N ASN A 18 -1.024 13.213 -3.275 1.00 32.11 N ATOM 283 CA ASN A 18 -1.091 13.851 -1.963 1.00 21.33 C ATOM 284 C ASN A 18 -1.189 12.798 -0.872 1.00 51.21 C ATOM 285 O ASN A 18 -0.603 12.947 0.200 1.00 31.01 O ATOM 286 CB ASN A 18 -2.267 14.824 -1.868 1.00 13.21 C ATOM 287 CG ASN A 18 -1.902 16.218 -2.341 1.00 33.50 C ATOM 288 OD1 ASN A 18 -0.766 16.663 -2.186 1.00 34.42 O ATOM 289 ND2 ASN A 18 -2.857 16.912 -2.933 1.00 73.00 N ATOM 0 H ASN A 18 -1.844 13.360 -3.864 1.00 32.11 H new ATOM 0 HA ASN A 18 -0.175 14.425 -1.825 1.00 21.33 H new ATOM 0 HB2 ASN A 18 -3.097 14.446 -2.465 1.00 13.21 H new ATOM 0 HB3 ASN A 18 -2.613 14.872 -0.835 1.00 13.21 H new ATOM 0 HD21 ASN A 18 -2.664 17.852 -3.280 1.00 73.00 H new ATOM 0 HD22 ASN A 18 -3.787 16.508 -3.043 1.00 73.00 H new ATOM 296 N ALA A 19 -1.921 11.730 -1.156 1.00 14.03 N ATOM 297 CA ALA A 19 -2.010 10.603 -0.240 1.00 61.43 C ATOM 298 C ALA A 19 -0.638 9.966 -0.032 1.00 21.44 C ATOM 299 O ALA A 19 -0.210 9.739 1.099 1.00 51.41 O ATOM 300 CB ALA A 19 -2.995 9.578 -0.773 1.00 43.25 C ATOM 0 H ALA A 19 -2.462 11.621 -2.014 1.00 14.03 H new ATOM 0 HA ALA A 19 -2.365 10.966 0.724 1.00 61.43 H new ATOM 0 HB1 ALA A 19 -3.056 8.738 -0.081 1.00 43.25 H new ATOM 0 HB2 ALA A 19 -3.979 10.037 -0.874 1.00 43.25 H new ATOM 0 HB3 ALA A 19 -2.659 9.223 -1.747 1.00 43.25 H new ATOM 306 N LEU A 20 0.054 9.707 -1.137 1.00 3.33 N ATOM 307 CA LEU A 20 1.347 9.025 -1.114 1.00 42.14 C ATOM 308 C LEU A 20 2.399 9.808 -0.335 1.00 12.01 C ATOM 309 O LEU A 20 3.115 9.239 0.487 1.00 50.12 O ATOM 310 CB LEU A 20 1.837 8.775 -2.542 1.00 2.10 C ATOM 311 CG LEU A 20 0.925 7.889 -3.390 1.00 23.33 C ATOM 312 CD1 LEU A 20 1.459 7.770 -4.805 1.00 75.53 C ATOM 313 CD2 LEU A 20 0.781 6.515 -2.756 1.00 40.13 C ATOM 0 H LEU A 20 -0.263 9.962 -2.072 1.00 3.33 H new ATOM 0 HA LEU A 20 1.201 8.073 -0.603 1.00 42.14 H new ATOM 0 HB2 LEU A 20 1.954 9.736 -3.044 1.00 2.10 H new ATOM 0 HB3 LEU A 20 2.825 8.316 -2.496 1.00 2.10 H new ATOM 0 HG LEU A 20 -0.060 8.353 -3.435 1.00 23.33 H new ATOM 0 HD11 LEU A 20 0.795 7.135 -5.392 1.00 75.53 H new ATOM 0 HD12 LEU A 20 1.510 8.760 -5.259 1.00 75.53 H new ATOM 0 HD13 LEU A 20 2.456 7.330 -4.782 1.00 75.53 H new ATOM 0 HD21 LEU A 20 0.128 5.897 -3.372 1.00 40.13 H new ATOM 0 HD22 LEU A 20 1.761 6.045 -2.680 1.00 40.13 H new ATOM 0 HD23 LEU A 20 0.350 6.617 -1.760 1.00 40.13 H new ATOM 325 N GLN A 21 2.492 11.109 -0.580 1.00 53.44 N ATOM 326 CA GLN A 21 3.506 11.929 0.078 1.00 74.04 C ATOM 327 C GLN A 21 3.219 12.055 1.572 1.00 43.41 C ATOM 328 O GLN A 21 4.139 12.142 2.387 1.00 13.03 O ATOM 329 CB GLN A 21 3.599 13.309 -0.572 1.00 24.52 C ATOM 330 CG GLN A 21 2.307 14.099 -0.517 1.00 51.33 C ATOM 331 CD GLN A 21 2.371 15.364 -1.338 1.00 13.41 C ATOM 332 OE1 GLN A 21 2.743 16.424 -0.838 1.00 64.04 O ATOM 333 NE2 GLN A 21 2.014 15.256 -2.606 1.00 21.51 N ATOM 0 H GLN A 21 1.885 11.617 -1.223 1.00 53.44 H new ATOM 0 HA GLN A 21 4.469 11.432 -0.043 1.00 74.04 H new ATOM 0 HB2 GLN A 21 4.385 13.881 -0.078 1.00 24.52 H new ATOM 0 HB3 GLN A 21 3.897 13.190 -1.614 1.00 24.52 H new ATOM 0 HG2 GLN A 21 1.488 13.476 -0.877 1.00 51.33 H new ATOM 0 HG3 GLN A 21 2.083 14.352 0.519 1.00 51.33 H new ATOM 0 HE21 GLN A 21 1.712 14.355 -2.976 1.00 21.51 H new ATOM 0 HE22 GLN A 21 2.040 16.074 -3.215 1.00 21.51 H new ATOM 342 N ALA A 22 1.939 12.054 1.930 1.00 52.43 N ATOM 343 CA ALA A 22 1.542 12.067 3.331 1.00 71.44 C ATOM 344 C ALA A 22 1.890 10.734 3.988 1.00 2.30 C ATOM 345 O ALA A 22 2.211 10.674 5.176 1.00 41.45 O ATOM 346 CB ALA A 22 0.055 12.357 3.462 1.00 11.24 C ATOM 0 H ALA A 22 1.161 12.044 1.270 1.00 52.43 H new ATOM 0 HA ALA A 22 2.089 12.860 3.842 1.00 71.44 H new ATOM 0 HB1 ALA A 22 -0.223 12.363 4.516 1.00 11.24 H new ATOM 0 HB2 ALA A 22 -0.166 13.330 3.023 1.00 11.24 H new ATOM 0 HB3 ALA A 22 -0.513 11.586 2.941 1.00 11.24 H new ATOM 352 N LEU A 23 1.821 9.669 3.202 1.00 60.34 N ATOM 353 CA LEU A 23 2.235 8.349 3.655 1.00 65.41 C ATOM 354 C LEU A 23 3.731 8.330 3.932 1.00 0.12 C ATOM 355 O LEU A 23 4.165 7.842 4.970 1.00 4.14 O ATOM 356 CB LEU A 23 1.877 7.291 2.609 1.00 61.14 C ATOM 357 CG LEU A 23 0.382 7.022 2.448 1.00 73.43 C ATOM 358 CD1 LEU A 23 0.111 6.211 1.192 1.00 42.41 C ATOM 359 CD2 LEU A 23 -0.154 6.297 3.670 1.00 21.30 C ATOM 0 H LEU A 23 1.480 9.694 2.241 1.00 60.34 H new ATOM 0 HA LEU A 23 1.706 8.118 4.580 1.00 65.41 H new ATOM 0 HB2 LEU A 23 2.280 7.603 1.646 1.00 61.14 H new ATOM 0 HB3 LEU A 23 2.372 6.357 2.875 1.00 61.14 H new ATOM 0 HG LEU A 23 -0.131 7.979 2.352 1.00 73.43 H new ATOM 0 HD11 LEU A 23 -0.960 6.032 1.099 1.00 42.41 H new ATOM 0 HD12 LEU A 23 0.464 6.762 0.320 1.00 42.41 H new ATOM 0 HD13 LEU A 23 0.634 5.257 1.255 1.00 42.41 H new ATOM 0 HD21 LEU A 23 -1.221 6.111 3.544 1.00 21.30 H new ATOM 0 HD22 LEU A 23 0.369 5.348 3.788 1.00 21.30 H new ATOM 0 HD23 LEU A 23 0.005 6.911 4.556 1.00 21.30 H new ATOM 371 N GLU A 24 4.512 8.883 3.002 1.00 5.50 N ATOM 372 CA GLU A 24 5.963 8.977 3.164 1.00 1.12 C ATOM 373 C GLU A 24 6.311 9.754 4.429 1.00 55.22 C ATOM 374 O GLU A 24 7.250 9.413 5.146 1.00 44.21 O ATOM 375 CB GLU A 24 6.595 9.657 1.949 1.00 41.35 C ATOM 376 CG GLU A 24 6.327 8.937 0.639 1.00 23.33 C ATOM 377 CD GLU A 24 6.990 9.613 -0.541 1.00 20.32 C ATOM 378 OE1 GLU A 24 6.394 10.549 -1.110 1.00 72.05 O ATOM 379 OE2 GLU A 24 8.122 9.218 -0.899 1.00 45.25 O ATOM 0 H GLU A 24 4.162 9.273 2.127 1.00 5.50 H new ATOM 0 HA GLU A 24 6.361 7.966 3.250 1.00 1.12 H new ATOM 0 HB2 GLU A 24 6.217 10.677 1.877 1.00 41.35 H new ATOM 0 HB3 GLU A 24 7.672 9.726 2.102 1.00 41.35 H new ATOM 0 HG2 GLU A 24 6.685 7.910 0.713 1.00 23.33 H new ATOM 0 HG3 GLU A 24 5.252 8.888 0.468 1.00 23.33 H new ATOM 386 N GLU A 25 5.538 10.799 4.691 1.00 14.25 N ATOM 387 CA GLU A 25 5.686 11.592 5.899 1.00 41.13 C ATOM 388 C GLU A 25 5.467 10.724 7.136 1.00 73.41 C ATOM 389 O GLU A 25 6.243 10.768 8.093 1.00 2.53 O ATOM 390 CB GLU A 25 4.673 12.732 5.879 1.00 71.13 C ATOM 391 CG GLU A 25 4.713 13.610 7.110 1.00 55.34 C ATOM 392 CD GLU A 25 3.510 14.520 7.197 1.00 40.41 C ATOM 393 OE1 GLU A 25 3.559 15.638 6.646 1.00 63.15 O ATOM 394 OE2 GLU A 25 2.502 14.116 7.810 1.00 75.42 O ATOM 0 H GLU A 25 4.793 11.119 4.072 1.00 14.25 H new ATOM 0 HA GLU A 25 6.696 12.000 5.937 1.00 41.13 H new ATOM 0 HB2 GLU A 25 4.853 13.349 4.999 1.00 71.13 H new ATOM 0 HB3 GLU A 25 3.672 12.313 5.776 1.00 71.13 H new ATOM 0 HG2 GLU A 25 4.758 12.983 8.001 1.00 55.34 H new ATOM 0 HG3 GLU A 25 5.622 14.211 7.097 1.00 55.34 H new ATOM 401 N PHE A 26 4.416 9.914 7.094 1.00 63.22 N ATOM 402 CA PHE A 26 4.053 9.062 8.218 1.00 75.22 C ATOM 403 C PHE A 26 5.095 7.963 8.423 1.00 12.34 C ATOM 404 O PHE A 26 5.321 7.514 9.548 1.00 31.51 O ATOM 405 CB PHE A 26 2.668 8.453 7.993 1.00 42.55 C ATOM 406 CG PHE A 26 2.090 7.805 9.218 1.00 64.50 C ATOM 407 CD1 PHE A 26 1.514 8.577 10.215 1.00 60.13 C ATOM 408 CD2 PHE A 26 2.123 6.431 9.375 1.00 42.23 C ATOM 409 CE1 PHE A 26 0.982 7.989 11.344 1.00 44.42 C ATOM 410 CE2 PHE A 26 1.591 5.838 10.503 1.00 13.03 C ATOM 411 CZ PHE A 26 1.022 6.618 11.489 1.00 51.24 C ATOM 0 H PHE A 26 3.797 9.830 6.288 1.00 63.22 H new ATOM 0 HA PHE A 26 4.024 9.674 9.120 1.00 75.22 H new ATOM 0 HB2 PHE A 26 1.989 9.233 7.650 1.00 42.55 H new ATOM 0 HB3 PHE A 26 2.731 7.712 7.196 1.00 42.55 H new ATOM 0 HD1 PHE A 26 1.481 9.651 10.107 1.00 60.13 H new ATOM 0 HD2 PHE A 26 2.569 5.816 8.608 1.00 42.23 H new ATOM 0 HE1 PHE A 26 0.535 8.601 12.113 1.00 44.42 H new ATOM 0 HE2 PHE A 26 1.620 4.764 10.613 1.00 13.03 H new ATOM 0 HZ PHE A 26 0.609 6.155 12.373 1.00 51.24 H new ATOM 421 N LEU A 27 5.741 7.553 7.331 1.00 4.45 N ATOM 422 CA LEU A 27 6.794 6.538 7.385 1.00 62.13 C ATOM 423 C LEU A 27 7.949 7.008 8.263 1.00 3.55 C ATOM 424 O LEU A 27 8.741 6.206 8.758 1.00 62.51 O ATOM 425 CB LEU A 27 7.325 6.232 5.979 1.00 15.35 C ATOM 426 CG LEU A 27 6.285 5.757 4.959 1.00 10.25 C ATOM 427 CD1 LEU A 27 6.932 5.546 3.603 1.00 3.44 C ATOM 428 CD2 LEU A 27 5.614 4.479 5.429 1.00 54.35 C ATOM 0 H LEU A 27 5.552 7.910 6.394 1.00 4.45 H new ATOM 0 HA LEU A 27 6.361 5.633 7.811 1.00 62.13 H new ATOM 0 HB2 LEU A 27 7.804 7.130 5.589 1.00 15.35 H new ATOM 0 HB3 LEU A 27 8.099 5.469 6.062 1.00 15.35 H new ATOM 0 HG LEU A 27 5.522 6.529 4.865 1.00 10.25 H new ATOM 0 HD11 LEU A 27 6.180 5.209 2.890 1.00 3.44 H new ATOM 0 HD12 LEU A 27 7.366 6.484 3.257 1.00 3.44 H new ATOM 0 HD13 LEU A 27 7.716 4.793 3.687 1.00 3.44 H new ATOM 0 HD21 LEU A 27 4.880 4.160 4.689 1.00 54.35 H new ATOM 0 HD22 LEU A 27 6.365 3.699 5.554 1.00 54.35 H new ATOM 0 HD23 LEU A 27 5.115 4.659 6.381 1.00 54.35 H new ATOM 440 N GLN A 28 8.048 8.319 8.435 1.00 74.15 N ATOM 441 CA GLN A 28 9.113 8.912 9.226 1.00 55.32 C ATOM 442 C GLN A 28 8.696 9.073 10.683 1.00 61.21 C ATOM 443 O GLN A 28 9.468 8.776 11.592 1.00 33.01 O ATOM 444 CB GLN A 28 9.502 10.267 8.638 1.00 54.02 C ATOM 445 CG GLN A 28 9.922 10.189 7.182 1.00 1.13 C ATOM 446 CD GLN A 28 10.319 11.534 6.615 1.00 75.41 C ATOM 447 OE1 GLN A 28 10.810 12.402 7.336 1.00 32.53 O ATOM 448 NE2 GLN A 28 10.125 11.712 5.318 1.00 15.25 N ATOM 0 H GLN A 28 7.398 8.995 8.033 1.00 74.15 H new ATOM 0 HA GLN A 28 9.973 8.243 9.195 1.00 55.32 H new ATOM 0 HB2 GLN A 28 8.658 10.951 8.730 1.00 54.02 H new ATOM 0 HB3 GLN A 28 10.319 10.688 9.223 1.00 54.02 H new ATOM 0 HG2 GLN A 28 10.759 9.498 7.086 1.00 1.13 H new ATOM 0 HG3 GLN A 28 9.101 9.779 6.593 1.00 1.13 H new ATOM 0 HE21 GLN A 28 9.715 10.966 4.757 1.00 15.25 H new ATOM 0 HE22 GLN A 28 10.386 12.595 4.880 1.00 15.25 H new ATOM 457 N THR A 29 7.465 9.521 10.901 1.00 24.53 N ATOM 458 CA THR A 29 7.006 9.850 12.244 1.00 25.32 C ATOM 459 C THR A 29 6.606 8.601 13.036 1.00 72.33 C ATOM 460 O THR A 29 6.810 8.542 14.248 1.00 54.50 O ATOM 461 CB THR A 29 5.833 10.864 12.216 1.00 44.41 C ATOM 462 OG1 THR A 29 5.443 11.214 13.550 1.00 23.53 O ATOM 463 CG2 THR A 29 4.630 10.309 11.469 1.00 64.33 C ATOM 0 H THR A 29 6.770 9.664 10.168 1.00 24.53 H new ATOM 0 HA THR A 29 7.850 10.315 12.752 1.00 25.32 H new ATOM 0 HB THR A 29 6.185 11.752 11.691 1.00 44.41 H new ATOM 0 HG1 THR A 29 4.703 11.856 13.517 1.00 23.53 H new ATOM 0 HG21 THR A 29 3.828 11.048 11.470 1.00 64.33 H new ATOM 0 HG22 THR A 29 4.913 10.082 10.441 1.00 64.33 H new ATOM 0 HG23 THR A 29 4.285 9.399 11.959 1.00 64.33 H new ATOM 471 N GLU A 30 6.051 7.604 12.358 1.00 1.32 N ATOM 472 CA GLU A 30 5.623 6.378 13.018 1.00 35.21 C ATOM 473 C GLU A 30 6.056 5.155 12.223 1.00 52.24 C ATOM 474 O GLU A 30 5.349 4.705 11.322 1.00 20.32 O ATOM 475 CB GLU A 30 4.103 6.366 13.213 1.00 50.43 C ATOM 476 CG GLU A 30 3.625 7.214 14.383 1.00 21.41 C ATOM 477 CD GLU A 30 3.937 6.583 15.727 1.00 44.33 C ATOM 478 OE1 GLU A 30 5.118 6.292 15.997 1.00 74.14 O ATOM 479 OE2 GLU A 30 2.991 6.369 16.519 1.00 2.44 O ATOM 0 H GLU A 30 5.887 7.621 11.351 1.00 1.32 H new ATOM 0 HA GLU A 30 6.100 6.343 13.997 1.00 35.21 H new ATOM 0 HB2 GLU A 30 3.627 6.723 12.300 1.00 50.43 H new ATOM 0 HB3 GLU A 30 3.774 5.338 13.364 1.00 50.43 H new ATOM 0 HG2 GLU A 30 4.093 8.197 14.330 1.00 21.41 H new ATOM 0 HG3 GLU A 30 2.549 7.369 14.299 1.00 21.41 H new ATOM 486 N PRO A 31 7.238 4.611 12.535 1.00 2.32 N ATOM 487 CA PRO A 31 7.751 3.410 11.873 1.00 61.11 C ATOM 488 C PRO A 31 6.866 2.192 12.129 1.00 43.14 C ATOM 489 O PRO A 31 6.767 1.293 11.294 1.00 34.04 O ATOM 490 CB PRO A 31 9.144 3.216 12.480 1.00 21.24 C ATOM 491 CG PRO A 31 9.134 3.996 13.749 1.00 71.34 C ATOM 492 CD PRO A 31 8.175 5.132 13.544 1.00 74.43 C ATOM 0 HA PRO A 31 7.773 3.521 10.789 1.00 61.11 H new ATOM 0 HB2 PRO A 31 9.347 2.162 12.668 1.00 21.24 H new ATOM 0 HB3 PRO A 31 9.921 3.575 11.804 1.00 21.24 H new ATOM 0 HG2 PRO A 31 8.822 3.371 14.586 1.00 71.34 H new ATOM 0 HG3 PRO A 31 10.131 4.368 13.984 1.00 71.34 H new ATOM 0 HD2 PRO A 31 7.663 5.397 14.469 1.00 74.43 H new ATOM 0 HD3 PRO A 31 8.685 6.030 13.193 1.00 74.43 H new ATOM 500 N VAL A 32 6.206 2.184 13.275 1.00 41.02 N ATOM 501 CA VAL A 32 5.282 1.111 13.621 1.00 23.43 C ATOM 502 C VAL A 32 3.980 1.252 12.829 1.00 23.34 C ATOM 503 O VAL A 32 3.311 0.265 12.508 1.00 54.34 O ATOM 504 CB VAL A 32 4.984 1.094 15.141 1.00 61.22 C ATOM 505 CG1 VAL A 32 4.345 2.403 15.593 1.00 20.22 C ATOM 506 CG2 VAL A 32 4.105 -0.094 15.505 1.00 75.02 C ATOM 0 H VAL A 32 6.292 2.911 13.986 1.00 41.02 H new ATOM 0 HA VAL A 32 5.756 0.165 13.359 1.00 23.43 H new ATOM 0 HB VAL A 32 5.933 0.989 15.667 1.00 61.22 H new ATOM 0 HG11 VAL A 32 4.148 2.361 16.664 1.00 20.22 H new ATOM 0 HG12 VAL A 32 5.022 3.231 15.381 1.00 20.22 H new ATOM 0 HG13 VAL A 32 3.408 2.555 15.057 1.00 20.22 H new ATOM 0 HG21 VAL A 32 3.908 -0.086 16.577 1.00 75.02 H new ATOM 0 HG22 VAL A 32 3.162 -0.028 14.963 1.00 75.02 H new ATOM 0 HG23 VAL A 32 4.614 -1.019 15.236 1.00 75.02 H new ATOM 516 N GLY A 33 3.652 2.487 12.471 1.00 2.11 N ATOM 517 CA GLY A 33 2.427 2.750 11.745 1.00 4.55 C ATOM 518 C GLY A 33 2.609 2.612 10.249 1.00 12.24 C ATOM 519 O GLY A 33 1.661 2.786 9.482 1.00 50.22 O ATOM 0 H GLY A 33 4.215 3.313 12.672 1.00 2.11 H new ATOM 0 HA2 GLY A 33 1.653 2.060 12.080 1.00 4.55 H new ATOM 0 HA3 GLY A 33 2.079 3.757 11.976 1.00 4.55 H new ATOM 523 N LYS A 34 3.828 2.289 9.826 1.00 11.12 N ATOM 524 CA LYS A 34 4.122 2.115 8.407 1.00 54.03 C ATOM 525 C LYS A 34 3.336 0.941 7.831 1.00 52.14 C ATOM 526 O LYS A 34 3.135 0.856 6.624 1.00 70.42 O ATOM 527 CB LYS A 34 5.623 1.926 8.170 1.00 60.31 C ATOM 528 CG LYS A 34 6.454 3.141 8.550 1.00 30.45 C ATOM 529 CD LYS A 34 7.911 2.994 8.136 1.00 72.02 C ATOM 530 CE LYS A 34 8.575 1.809 8.815 1.00 40.13 C ATOM 531 NZ LYS A 34 10.047 1.803 8.616 1.00 11.54 N ATOM 0 H LYS A 34 4.626 2.143 10.444 1.00 11.12 H new ATOM 0 HA LYS A 34 3.812 3.024 7.890 1.00 54.03 H new ATOM 0 HB2 LYS A 34 5.968 1.066 8.744 1.00 60.31 H new ATOM 0 HB3 LYS A 34 5.791 1.696 7.118 1.00 60.31 H new ATOM 0 HG2 LYS A 34 6.032 4.029 8.079 1.00 30.45 H new ATOM 0 HG3 LYS A 34 6.398 3.295 9.628 1.00 30.45 H new ATOM 0 HD2 LYS A 34 7.971 2.873 7.054 1.00 72.02 H new ATOM 0 HD3 LYS A 34 8.453 3.906 8.385 1.00 72.02 H new ATOM 0 HE2 LYS A 34 8.354 1.833 9.882 1.00 40.13 H new ATOM 0 HE3 LYS A 34 8.153 0.884 8.423 1.00 40.13 H new ATOM 0 HZ1 LYS A 34 10.459 0.977 9.096 1.00 11.54 H new ATOM 0 HZ2 LYS A 34 10.260 1.754 7.599 1.00 11.54 H new ATOM 0 HZ3 LYS A 34 10.455 2.673 9.013 1.00 11.54 H new ATOM 545 N ASP A 35 2.890 0.043 8.705 1.00 61.03 N ATOM 546 CA ASP A 35 1.994 -1.045 8.313 1.00 22.34 C ATOM 547 C ASP A 35 0.721 -0.483 7.675 1.00 31.32 C ATOM 548 O ASP A 35 0.309 -0.917 6.602 1.00 61.11 O ATOM 549 CB ASP A 35 1.664 -1.905 9.542 1.00 2.10 C ATOM 550 CG ASP A 35 0.254 -2.472 9.533 1.00 21.23 C ATOM 551 OD1 ASP A 35 0.009 -3.487 8.850 1.00 75.53 O ATOM 552 OD2 ASP A 35 -0.611 -1.910 10.240 1.00 4.22 O ATOM 0 H ASP A 35 3.135 0.046 9.695 1.00 61.03 H new ATOM 0 HA ASP A 35 2.488 -1.672 7.571 1.00 22.34 H new ATOM 0 HB2 ASP A 35 2.376 -2.728 9.600 1.00 2.10 H new ATOM 0 HB3 ASP A 35 1.798 -1.304 10.441 1.00 2.10 H new ATOM 557 N GLU A 36 0.129 0.507 8.335 1.00 40.21 N ATOM 558 CA GLU A 36 -1.055 1.187 7.821 1.00 71.23 C ATOM 559 C GLU A 36 -0.696 2.004 6.583 1.00 34.53 C ATOM 560 O GLU A 36 -1.413 2.000 5.582 1.00 71.11 O ATOM 561 CB GLU A 36 -1.631 2.107 8.905 1.00 23.32 C ATOM 562 CG GLU A 36 -2.858 2.899 8.476 1.00 24.04 C ATOM 563 CD GLU A 36 -4.094 2.043 8.314 1.00 31.53 C ATOM 564 OE1 GLU A 36 -4.200 1.008 9.006 1.00 45.20 O ATOM 565 OE2 GLU A 36 -4.979 2.420 7.517 1.00 42.23 O ATOM 0 H GLU A 36 0.454 0.859 9.236 1.00 40.21 H new ATOM 0 HA GLU A 36 -1.802 0.443 7.545 1.00 71.23 H new ATOM 0 HB2 GLU A 36 -1.890 1.504 9.775 1.00 23.32 H new ATOM 0 HB3 GLU A 36 -0.856 2.805 9.220 1.00 23.32 H new ATOM 0 HG2 GLU A 36 -3.057 3.676 9.214 1.00 24.04 H new ATOM 0 HG3 GLU A 36 -2.646 3.402 7.532 1.00 24.04 H new ATOM 572 N ALA A 37 0.433 2.693 6.663 1.00 3.11 N ATOM 573 CA ALA A 37 0.874 3.585 5.598 1.00 31.33 C ATOM 574 C ALA A 37 1.172 2.828 4.301 1.00 11.11 C ATOM 575 O ALA A 37 0.729 3.231 3.225 1.00 62.35 O ATOM 576 CB ALA A 37 2.091 4.375 6.055 1.00 15.22 C ATOM 0 H ALA A 37 1.066 2.651 7.462 1.00 3.11 H new ATOM 0 HA ALA A 37 0.059 4.276 5.381 1.00 31.33 H new ATOM 0 HB1 ALA A 37 2.415 5.040 5.254 1.00 15.22 H new ATOM 0 HB2 ALA A 37 1.832 4.965 6.934 1.00 15.22 H new ATOM 0 HB3 ALA A 37 2.899 3.687 6.305 1.00 15.22 H new ATOM 582 N TYR A 38 1.908 1.729 4.403 1.00 32.15 N ATOM 583 CA TYR A 38 2.253 0.938 3.225 1.00 33.42 C ATOM 584 C TYR A 38 1.030 0.221 2.671 1.00 64.21 C ATOM 585 O TYR A 38 0.937 -0.024 1.468 1.00 3.34 O ATOM 586 CB TYR A 38 3.360 -0.067 3.542 1.00 42.42 C ATOM 587 CG TYR A 38 4.748 0.533 3.539 1.00 43.24 C ATOM 588 CD1 TYR A 38 5.274 1.098 2.383 1.00 14.14 C ATOM 589 CD2 TYR A 38 5.536 0.525 4.683 1.00 4.14 C ATOM 590 CE1 TYR A 38 6.545 1.639 2.370 1.00 1.10 C ATOM 591 CE2 TYR A 38 6.809 1.064 4.675 1.00 13.24 C ATOM 592 CZ TYR A 38 7.306 1.619 3.516 1.00 32.11 C ATOM 593 OH TYR A 38 8.576 2.148 3.498 1.00 23.34 O ATOM 0 H TYR A 38 2.276 1.365 5.282 1.00 32.15 H new ATOM 0 HA TYR A 38 2.622 1.625 2.464 1.00 33.42 H new ATOM 0 HB2 TYR A 38 3.168 -0.509 4.520 1.00 42.42 H new ATOM 0 HB3 TYR A 38 3.323 -0.877 2.813 1.00 42.42 H new ATOM 0 HD1 TYR A 38 4.680 1.114 1.481 1.00 14.14 H new ATOM 0 HD2 TYR A 38 5.148 0.091 5.593 1.00 4.14 H new ATOM 0 HE1 TYR A 38 6.939 2.076 1.464 1.00 1.10 H new ATOM 0 HE2 TYR A 38 7.410 1.050 5.572 1.00 13.24 H new ATOM 0 HH TYR A 38 8.981 2.057 4.386 1.00 23.34 H new ATOM 603 N TYR A 39 0.091 -0.106 3.546 1.00 73.33 N ATOM 604 CA TYR A 39 -1.169 -0.688 3.118 1.00 32.53 C ATOM 605 C TYR A 39 -1.925 0.299 2.230 1.00 53.22 C ATOM 606 O TYR A 39 -2.444 -0.066 1.173 1.00 50.53 O ATOM 607 CB TYR A 39 -2.011 -1.077 4.335 1.00 43.43 C ATOM 608 CG TYR A 39 -3.355 -1.675 3.990 1.00 32.35 C ATOM 609 CD1 TYR A 39 -3.453 -2.951 3.450 1.00 73.11 C ATOM 610 CD2 TYR A 39 -4.526 -0.963 4.213 1.00 52.32 C ATOM 611 CE1 TYR A 39 -4.681 -3.499 3.138 1.00 52.45 C ATOM 612 CE2 TYR A 39 -5.756 -1.504 3.905 1.00 13.44 C ATOM 613 CZ TYR A 39 -5.830 -2.771 3.368 1.00 45.22 C ATOM 614 OH TYR A 39 -7.060 -3.307 3.060 1.00 72.32 O ATOM 0 H TYR A 39 0.179 0.022 4.554 1.00 73.33 H new ATOM 0 HA TYR A 39 -0.967 -1.589 2.539 1.00 32.53 H new ATOM 0 HB2 TYR A 39 -1.451 -1.792 4.937 1.00 43.43 H new ATOM 0 HB3 TYR A 39 -2.167 -0.193 4.953 1.00 43.43 H new ATOM 0 HD1 TYR A 39 -2.555 -3.523 3.271 1.00 73.11 H new ATOM 0 HD2 TYR A 39 -4.472 0.030 4.634 1.00 52.32 H new ATOM 0 HE1 TYR A 39 -4.742 -4.491 2.716 1.00 52.45 H new ATOM 0 HE2 TYR A 39 -6.658 -0.937 4.084 1.00 13.44 H new ATOM 0 HH TYR A 39 -7.763 -2.663 3.286 1.00 72.32 H new ATOM 624 N LEU A 40 -1.958 1.556 2.658 1.00 44.14 N ATOM 625 CA LEU A 40 -2.605 2.610 1.890 1.00 62.13 C ATOM 626 C LEU A 40 -1.848 2.870 0.590 1.00 42.44 C ATOM 627 O LEU A 40 -2.457 3.127 -0.449 1.00 11.50 O ATOM 628 CB LEU A 40 -2.699 3.894 2.718 1.00 43.14 C ATOM 629 CG LEU A 40 -3.523 3.780 4.006 1.00 54.13 C ATOM 630 CD1 LEU A 40 -3.522 5.099 4.764 1.00 35.31 C ATOM 631 CD2 LEU A 40 -4.947 3.345 3.692 1.00 44.11 C ATOM 0 H LEU A 40 -1.543 1.869 3.535 1.00 44.14 H new ATOM 0 HA LEU A 40 -3.614 2.283 1.641 1.00 62.13 H new ATOM 0 HB2 LEU A 40 -1.690 4.215 2.978 1.00 43.14 H new ATOM 0 HB3 LEU A 40 -3.132 4.678 2.096 1.00 43.14 H new ATOM 0 HG LEU A 40 -3.063 3.022 4.640 1.00 54.13 H new ATOM 0 HD11 LEU A 40 -4.112 4.996 5.674 1.00 35.31 H new ATOM 0 HD12 LEU A 40 -2.498 5.369 5.024 1.00 35.31 H new ATOM 0 HD13 LEU A 40 -3.955 5.879 4.137 1.00 35.31 H new ATOM 0 HD21 LEU A 40 -5.517 3.269 4.618 1.00 44.11 H new ATOM 0 HD22 LEU A 40 -5.416 4.079 3.036 1.00 44.11 H new ATOM 0 HD23 LEU A 40 -4.930 2.374 3.196 1.00 44.11 H new ATOM 643 N MET A 41 -0.520 2.792 0.658 1.00 34.03 N ATOM 644 CA MET A 41 0.332 2.907 -0.525 1.00 41.21 C ATOM 645 C MET A 41 -0.094 1.914 -1.595 1.00 11.40 C ATOM 646 O MET A 41 -0.336 2.286 -2.747 1.00 34.45 O ATOM 647 CB MET A 41 1.784 2.625 -0.156 1.00 54.32 C ATOM 648 CG MET A 41 2.513 3.776 0.500 1.00 63.24 C ATOM 649 SD MET A 41 3.166 4.961 -0.691 1.00 34.13 S ATOM 650 CE MET A 41 4.322 5.855 0.341 1.00 34.41 C ATOM 0 H MET A 41 -0.007 2.648 1.528 1.00 34.03 H new ATOM 0 HA MET A 41 0.233 3.922 -0.910 1.00 41.21 H new ATOM 0 HB2 MET A 41 1.812 1.767 0.516 1.00 54.32 H new ATOM 0 HB3 MET A 41 2.324 2.341 -1.059 1.00 54.32 H new ATOM 0 HG2 MET A 41 1.834 4.289 1.181 1.00 63.24 H new ATOM 0 HG3 MET A 41 3.333 3.385 1.102 1.00 63.24 H new ATOM 0 HE1 MET A 41 4.064 6.914 0.343 1.00 34.41 H new ATOM 0 HE2 MET A 41 4.276 5.468 1.359 1.00 34.41 H new ATOM 0 HE3 MET A 41 5.332 5.728 -0.050 1.00 34.41 H new ATOM 660 N GLY A 42 -0.186 0.646 -1.199 1.00 74.02 N ATOM 661 CA GLY A 42 -0.581 -0.400 -2.119 1.00 0.13 C ATOM 662 C GLY A 42 -1.945 -0.148 -2.726 1.00 71.12 C ATOM 663 O GLY A 42 -2.164 -0.418 -3.905 1.00 14.35 O ATOM 0 H GLY A 42 0.008 0.326 -0.250 1.00 74.02 H new ATOM 0 HA2 GLY A 42 0.159 -0.479 -2.915 1.00 0.13 H new ATOM 0 HA3 GLY A 42 -0.590 -1.356 -1.596 1.00 0.13 H new ATOM 667 N ASN A 43 -2.860 0.374 -1.917 1.00 30.04 N ATOM 668 CA ASN A 43 -4.208 0.689 -2.383 1.00 12.42 C ATOM 669 C ASN A 43 -4.175 1.795 -3.427 1.00 52.12 C ATOM 670 O ASN A 43 -4.865 1.719 -4.442 1.00 23.21 O ATOM 671 CB ASN A 43 -5.108 1.109 -1.219 1.00 11.11 C ATOM 672 CG ASN A 43 -5.434 -0.038 -0.281 1.00 54.45 C ATOM 673 OD1 ASN A 43 -5.479 -1.196 -0.692 1.00 21.04 O ATOM 674 ND2 ASN A 43 -5.671 0.277 0.982 1.00 22.10 N ATOM 0 H ASN A 43 -2.694 0.589 -0.934 1.00 30.04 H new ATOM 0 HA ASN A 43 -4.618 -0.214 -2.835 1.00 12.42 H new ATOM 0 HB2 ASN A 43 -4.618 1.904 -0.656 1.00 11.11 H new ATOM 0 HB3 ASN A 43 -6.035 1.523 -1.615 1.00 11.11 H new ATOM 0 HD21 ASN A 43 -5.901 -0.454 1.655 1.00 22.10 H new ATOM 0 HD22 ASN A 43 -5.623 1.251 1.282 1.00 22.10 H new ATOM 681 N ALA A 44 -3.366 2.817 -3.173 1.00 41.25 N ATOM 682 CA ALA A 44 -3.255 3.950 -4.082 1.00 35.45 C ATOM 683 C ALA A 44 -2.665 3.520 -5.419 1.00 35.13 C ATOM 684 O ALA A 44 -3.211 3.837 -6.477 1.00 74.24 O ATOM 685 CB ALA A 44 -2.412 5.051 -3.457 1.00 13.21 C ATOM 0 H ALA A 44 -2.777 2.884 -2.343 1.00 41.25 H new ATOM 0 HA ALA A 44 -4.257 4.339 -4.264 1.00 35.45 H new ATOM 0 HB1 ALA A 44 -2.339 5.890 -4.149 1.00 13.21 H new ATOM 0 HB2 ALA A 44 -2.878 5.384 -2.530 1.00 13.21 H new ATOM 0 HB3 ALA A 44 -1.414 4.668 -3.244 1.00 13.21 H new ATOM 691 N TYR A 45 -1.559 2.786 -5.371 1.00 20.40 N ATOM 692 CA TYR A 45 -0.904 2.325 -6.592 1.00 31.21 C ATOM 693 C TYR A 45 -1.755 1.304 -7.346 1.00 34.10 C ATOM 694 O TYR A 45 -1.758 1.281 -8.578 1.00 61.41 O ATOM 695 CB TYR A 45 0.483 1.760 -6.289 1.00 70.45 C ATOM 696 CG TYR A 45 1.494 2.830 -5.962 1.00 61.33 C ATOM 697 CD1 TYR A 45 1.973 3.677 -6.954 1.00 33.43 C ATOM 698 CD2 TYR A 45 1.966 3.002 -4.668 1.00 21.05 C ATOM 699 CE1 TYR A 45 2.892 4.664 -6.666 1.00 25.44 C ATOM 700 CE2 TYR A 45 2.886 3.989 -4.372 1.00 72.14 C ATOM 701 CZ TYR A 45 3.347 4.816 -5.377 1.00 40.34 C ATOM 702 OH TYR A 45 4.264 5.804 -5.091 1.00 54.22 O ATOM 0 H TYR A 45 -1.099 2.498 -4.507 1.00 20.40 H new ATOM 0 HA TYR A 45 -0.787 3.192 -7.242 1.00 31.21 H new ATOM 0 HB2 TYR A 45 0.412 1.066 -5.451 1.00 70.45 H new ATOM 0 HB3 TYR A 45 0.832 1.188 -7.148 1.00 70.45 H new ATOM 0 HD1 TYR A 45 1.620 3.560 -7.968 1.00 33.43 H new ATOM 0 HD2 TYR A 45 1.609 2.355 -3.881 1.00 21.05 H new ATOM 0 HE1 TYR A 45 3.253 5.315 -7.449 1.00 25.44 H new ATOM 0 HE2 TYR A 45 3.243 4.113 -3.360 1.00 72.14 H new ATOM 0 HH TYR A 45 4.483 5.780 -4.136 1.00 54.22 H new ATOM 712 N ARG A 46 -2.488 0.473 -6.612 1.00 70.21 N ATOM 713 CA ARG A 46 -3.415 -0.470 -7.232 1.00 73.33 C ATOM 714 C ARG A 46 -4.557 0.277 -7.917 1.00 11.14 C ATOM 715 O ARG A 46 -5.023 -0.127 -8.985 1.00 20.12 O ATOM 716 CB ARG A 46 -3.958 -1.453 -6.187 1.00 15.14 C ATOM 717 CG ARG A 46 -5.115 -2.298 -6.689 1.00 53.12 C ATOM 718 CD ARG A 46 -5.284 -3.579 -5.883 1.00 12.34 C ATOM 719 NE ARG A 46 -5.459 -3.343 -4.448 1.00 40.31 N ATOM 720 CZ ARG A 46 -6.566 -3.662 -3.773 1.00 12.14 C ATOM 721 NH1 ARG A 46 -7.656 -4.053 -4.421 1.00 32.22 N ATOM 722 NH2 ARG A 46 -6.593 -3.558 -2.452 1.00 73.45 N ATOM 0 H ARG A 46 -2.460 0.432 -5.593 1.00 70.21 H new ATOM 0 HA ARG A 46 -2.876 -1.040 -7.989 1.00 73.33 H new ATOM 0 HB2 ARG A 46 -3.151 -2.112 -5.866 1.00 15.14 H new ATOM 0 HB3 ARG A 46 -4.282 -0.894 -5.309 1.00 15.14 H new ATOM 0 HG2 ARG A 46 -6.035 -1.716 -6.641 1.00 53.12 H new ATOM 0 HG3 ARG A 46 -4.951 -2.549 -7.737 1.00 53.12 H new ATOM 0 HD2 ARG A 46 -6.147 -4.127 -6.262 1.00 12.34 H new ATOM 0 HD3 ARG A 46 -4.411 -4.214 -6.036 1.00 12.34 H new ATOM 0 HE ARG A 46 -4.691 -2.910 -3.935 1.00 40.31 H new ATOM 0 HH11 ARG A 46 -7.651 -4.111 -5.439 1.00 32.22 H new ATOM 0 HH12 ARG A 46 -8.499 -4.296 -3.901 1.00 32.22 H new ATOM 0 HH21 ARG A 46 -5.767 -3.234 -1.949 1.00 73.45 H new ATOM 0 HH22 ARG A 46 -7.440 -3.802 -1.938 1.00 73.45 H new ATOM 736 N LYS A 47 -4.987 1.373 -7.306 1.00 64.21 N ATOM 737 CA LYS A 47 -6.027 2.211 -7.869 1.00 62.45 C ATOM 738 C LYS A 47 -5.527 2.886 -9.145 1.00 34.33 C ATOM 739 O LYS A 47 -6.271 3.024 -10.118 1.00 23.22 O ATOM 740 CB LYS A 47 -6.457 3.247 -6.833 1.00 54.14 C ATOM 741 CG LYS A 47 -7.621 4.110 -7.269 1.00 34.21 C ATOM 742 CD LYS A 47 -8.177 4.909 -6.103 1.00 21.13 C ATOM 743 CE LYS A 47 -8.765 4.002 -5.028 1.00 3.44 C ATOM 744 NZ LYS A 47 -9.867 3.146 -5.548 1.00 53.33 N ATOM 0 H LYS A 47 -4.624 1.701 -6.411 1.00 64.21 H new ATOM 0 HA LYS A 47 -6.890 1.598 -8.131 1.00 62.45 H new ATOM 0 HB2 LYS A 47 -6.725 2.733 -5.910 1.00 54.14 H new ATOM 0 HB3 LYS A 47 -5.607 3.890 -6.604 1.00 54.14 H new ATOM 0 HG2 LYS A 47 -7.298 4.789 -8.058 1.00 34.21 H new ATOM 0 HG3 LYS A 47 -8.406 3.482 -7.690 1.00 34.21 H new ATOM 0 HD2 LYS A 47 -7.385 5.520 -5.670 1.00 21.13 H new ATOM 0 HD3 LYS A 47 -8.946 5.592 -6.464 1.00 21.13 H new ATOM 0 HE2 LYS A 47 -7.977 3.368 -4.621 1.00 3.44 H new ATOM 0 HE3 LYS A 47 -9.140 4.613 -4.206 1.00 3.44 H new ATOM 0 HZ1 LYS A 47 -10.388 2.728 -4.751 1.00 53.33 H new ATOM 0 HZ2 LYS A 47 -10.515 3.724 -6.120 1.00 53.33 H new ATOM 0 HZ3 LYS A 47 -9.469 2.387 -6.137 1.00 53.33 H new ATOM 758 N LEU A 48 -4.257 3.293 -9.134 1.00 41.34 N ATOM 759 CA LEU A 48 -3.614 3.847 -10.324 1.00 75.40 C ATOM 760 C LEU A 48 -3.502 2.787 -11.415 1.00 42.31 C ATOM 761 O LEU A 48 -3.661 3.079 -12.601 1.00 1.12 O ATOM 762 CB LEU A 48 -2.219 4.385 -9.990 1.00 4.40 C ATOM 763 CG LEU A 48 -2.188 5.612 -9.079 1.00 14.53 C ATOM 764 CD1 LEU A 48 -0.751 5.994 -8.760 1.00 33.14 C ATOM 765 CD2 LEU A 48 -2.920 6.780 -9.725 1.00 33.30 C ATOM 0 H LEU A 48 -3.654 3.249 -8.313 1.00 41.34 H new ATOM 0 HA LEU A 48 -4.233 4.669 -10.684 1.00 75.40 H new ATOM 0 HB2 LEU A 48 -1.645 3.588 -9.517 1.00 4.40 H new ATOM 0 HB3 LEU A 48 -1.712 4.633 -10.922 1.00 4.40 H new ATOM 0 HG LEU A 48 -2.698 5.364 -8.148 1.00 14.53 H new ATOM 0 HD11 LEU A 48 -0.743 6.869 -8.110 1.00 33.14 H new ATOM 0 HD12 LEU A 48 -0.257 5.163 -8.256 1.00 33.14 H new ATOM 0 HD13 LEU A 48 -0.222 6.224 -9.685 1.00 33.14 H new ATOM 0 HD21 LEU A 48 -2.886 7.643 -9.060 1.00 33.30 H new ATOM 0 HD22 LEU A 48 -2.440 7.032 -10.671 1.00 33.30 H new ATOM 0 HD23 LEU A 48 -3.958 6.503 -9.907 1.00 33.30 H new ATOM 777 N GLY A 49 -3.221 1.560 -11.004 1.00 72.31 N ATOM 778 CA GLY A 49 -3.156 0.462 -11.943 1.00 44.31 C ATOM 779 C GLY A 49 -1.766 -0.120 -12.082 1.00 30.14 C ATOM 780 O GLY A 49 -1.445 -0.727 -13.101 1.00 54.21 O ATOM 0 H GLY A 49 -3.036 1.305 -10.034 1.00 72.31 H new ATOM 0 HA2 GLY A 49 -3.841 -0.323 -11.623 1.00 44.31 H new ATOM 0 HA3 GLY A 49 -3.499 0.806 -12.919 1.00 44.31 H new ATOM 784 N ASP A 50 -0.931 0.057 -11.069 1.00 54.42 N ATOM 785 CA ASP A 50 0.407 -0.513 -11.098 1.00 35.15 C ATOM 786 C ASP A 50 0.518 -1.627 -10.073 1.00 44.23 C ATOM 787 O ASP A 50 0.346 -1.403 -8.873 1.00 64.54 O ATOM 788 CB ASP A 50 1.472 0.546 -10.831 1.00 13.11 C ATOM 789 CG ASP A 50 2.861 0.039 -11.163 1.00 74.24 C ATOM 790 OD1 ASP A 50 3.460 -0.671 -10.331 1.00 44.15 O ATOM 791 OD2 ASP A 50 3.348 0.330 -12.273 1.00 50.21 O ATOM 0 H ASP A 50 -1.153 0.585 -10.225 1.00 54.42 H new ATOM 0 HA ASP A 50 0.577 -0.917 -12.096 1.00 35.15 H new ATOM 0 HB2 ASP A 50 1.258 1.435 -11.424 1.00 13.11 H new ATOM 0 HB3 ASP A 50 1.434 0.844 -9.783 1.00 13.11 H new ATOM 796 N TRP A 51 0.805 -2.827 -10.547 1.00 63.21 N ATOM 797 CA TRP A 51 0.804 -4.001 -9.692 1.00 70.21 C ATOM 798 C TRP A 51 2.125 -4.165 -8.956 1.00 74.11 C ATOM 799 O TRP A 51 2.143 -4.577 -7.800 1.00 4.21 O ATOM 800 CB TRP A 51 0.495 -5.253 -10.510 1.00 33.45 C ATOM 801 CG TRP A 51 -0.837 -5.186 -11.186 1.00 51.24 C ATOM 802 CD1 TRP A 51 -1.076 -5.179 -12.528 1.00 5.34 C ATOM 803 CD2 TRP A 51 -2.114 -5.101 -10.547 1.00 21.30 C ATOM 804 NE1 TRP A 51 -2.426 -5.093 -12.764 1.00 72.34 N ATOM 805 CE2 TRP A 51 -3.085 -5.043 -11.560 1.00 3.21 C ATOM 806 CE3 TRP A 51 -2.527 -5.071 -9.214 1.00 74.02 C ATOM 807 CZ2 TRP A 51 -4.446 -4.949 -11.279 1.00 24.41 C ATOM 808 CZ3 TRP A 51 -3.875 -4.982 -8.936 1.00 52.21 C ATOM 809 CH2 TRP A 51 -4.822 -4.923 -9.965 1.00 3.34 C ATOM 0 H TRP A 51 1.042 -3.014 -11.521 1.00 63.21 H new ATOM 0 HA TRP A 51 0.024 -3.861 -8.943 1.00 70.21 H new ATOM 0 HB2 TRP A 51 1.273 -5.392 -11.261 1.00 33.45 H new ATOM 0 HB3 TRP A 51 0.523 -6.125 -9.857 1.00 33.45 H new ATOM 0 HD1 TRP A 51 -0.316 -5.233 -13.293 1.00 5.34 H new ATOM 0 HE1 TRP A 51 -2.867 -5.070 -13.683 1.00 72.34 H new ATOM 0 HE3 TRP A 51 -1.803 -5.117 -8.414 1.00 74.02 H new ATOM 0 HZ2 TRP A 51 -5.178 -4.898 -12.071 1.00 24.41 H new ATOM 0 HZ3 TRP A 51 -4.205 -4.957 -7.908 1.00 52.21 H new ATOM 0 HH2 TRP A 51 -5.871 -4.856 -9.716 1.00 3.34 H new ATOM 820 N GLN A 52 3.227 -3.824 -9.613 1.00 43.50 N ATOM 821 CA GLN A 52 4.540 -3.998 -9.008 1.00 61.25 C ATOM 822 C GLN A 52 4.714 -3.031 -7.841 1.00 30.00 C ATOM 823 O GLN A 52 5.254 -3.399 -6.794 1.00 14.00 O ATOM 824 CB GLN A 52 5.651 -3.810 -10.046 1.00 14.20 C ATOM 825 CG GLN A 52 7.044 -4.100 -9.505 1.00 0.43 C ATOM 826 CD GLN A 52 7.193 -5.509 -8.947 1.00 42.13 C ATOM 827 OE1 GLN A 52 6.499 -6.470 -9.539 1.00 72.43 O flip ATOM 828 NE2 GLN A 52 7.946 -5.735 -8.000 1.00 62.32 N flip ATOM 0 H GLN A 52 3.238 -3.430 -10.554 1.00 43.50 H new ATOM 0 HA GLN A 52 4.613 -5.017 -8.627 1.00 61.25 H new ATOM 0 HB2 GLN A 52 5.457 -4.464 -10.896 1.00 14.20 H new ATOM 0 HB3 GLN A 52 5.620 -2.786 -10.418 1.00 14.20 H new ATOM 0 HG2 GLN A 52 7.773 -3.953 -10.302 1.00 0.43 H new ATOM 0 HG3 GLN A 52 7.279 -3.380 -8.721 1.00 0.43 H new ATOM 0 HE21 GLN A 52 8.465 -4.971 -7.568 1.00 62.32 H new ATOM 0 HE22 GLN A 52 8.051 -6.686 -7.647 1.00 62.32 H new ATOM 837 N LYS A 53 4.237 -1.801 -8.017 1.00 40.25 N ATOM 838 CA LYS A 53 4.238 -0.823 -6.939 1.00 35.51 C ATOM 839 C LYS A 53 3.356 -1.291 -5.792 1.00 32.03 C ATOM 840 O LYS A 53 3.735 -1.184 -4.627 1.00 3.51 O ATOM 841 CB LYS A 53 3.765 0.544 -7.439 1.00 11.44 C ATOM 842 CG LYS A 53 4.891 1.439 -7.929 1.00 53.25 C ATOM 843 CD LYS A 53 5.848 1.792 -6.799 1.00 71.00 C ATOM 844 CE LYS A 53 6.929 2.761 -7.252 1.00 23.31 C ATOM 845 NZ LYS A 53 7.874 3.087 -6.153 1.00 62.02 N ATOM 0 H LYS A 53 3.846 -1.461 -8.896 1.00 40.25 H new ATOM 0 HA LYS A 53 5.262 -0.723 -6.579 1.00 35.51 H new ATOM 0 HB2 LYS A 53 3.051 0.397 -8.249 1.00 11.44 H new ATOM 0 HB3 LYS A 53 3.234 1.051 -6.634 1.00 11.44 H new ATOM 0 HG2 LYS A 53 5.437 0.936 -8.727 1.00 53.25 H new ATOM 0 HG3 LYS A 53 4.474 2.352 -8.354 1.00 53.25 H new ATOM 0 HD2 LYS A 53 5.288 2.233 -5.974 1.00 71.00 H new ATOM 0 HD3 LYS A 53 6.312 0.882 -6.419 1.00 71.00 H new ATOM 0 HE2 LYS A 53 7.479 2.327 -8.087 1.00 23.31 H new ATOM 0 HE3 LYS A 53 6.466 3.678 -7.617 1.00 23.31 H new ATOM 0 HZ1 LYS A 53 8.596 3.750 -6.501 1.00 62.02 H new ATOM 0 HZ2 LYS A 53 7.353 3.524 -5.366 1.00 62.02 H new ATOM 0 HZ3 LYS A 53 8.335 2.216 -5.822 1.00 62.02 H new ATOM 859 N ALA A 54 2.188 -1.823 -6.123 1.00 71.55 N ATOM 860 CA ALA A 54 1.278 -2.337 -5.112 1.00 33.13 C ATOM 861 C ALA A 54 1.912 -3.499 -4.353 1.00 61.33 C ATOM 862 O ALA A 54 1.872 -3.539 -3.125 1.00 73.23 O ATOM 863 CB ALA A 54 -0.035 -2.765 -5.748 1.00 20.11 C ATOM 0 H ALA A 54 1.850 -1.909 -7.081 1.00 71.55 H new ATOM 0 HA ALA A 54 1.072 -1.539 -4.399 1.00 33.13 H new ATOM 0 HB1 ALA A 54 -0.705 -3.147 -4.978 1.00 20.11 H new ATOM 0 HB2 ALA A 54 -0.498 -1.909 -6.239 1.00 20.11 H new ATOM 0 HB3 ALA A 54 0.155 -3.546 -6.484 1.00 20.11 H new ATOM 869 N LEU A 55 2.519 -4.422 -5.095 1.00 63.45 N ATOM 870 CA LEU A 55 3.140 -5.606 -4.511 1.00 55.25 C ATOM 871 C LEU A 55 4.203 -5.249 -3.485 1.00 60.00 C ATOM 872 O LEU A 55 4.155 -5.726 -2.352 1.00 15.12 O ATOM 873 CB LEU A 55 3.780 -6.473 -5.598 1.00 51.10 C ATOM 874 CG LEU A 55 2.807 -7.251 -6.478 1.00 11.02 C ATOM 875 CD1 LEU A 55 3.561 -7.961 -7.590 1.00 41.32 C ATOM 876 CD2 LEU A 55 2.017 -8.251 -5.646 1.00 21.04 C ATOM 0 H LEU A 55 2.594 -4.371 -6.111 1.00 63.45 H new ATOM 0 HA LEU A 55 2.344 -6.158 -4.010 1.00 55.25 H new ATOM 0 HB2 LEU A 55 4.388 -5.833 -6.237 1.00 51.10 H new ATOM 0 HB3 LEU A 55 4.457 -7.182 -5.121 1.00 51.10 H new ATOM 0 HG LEU A 55 2.104 -6.549 -6.926 1.00 11.02 H new ATOM 0 HD11 LEU A 55 2.857 -8.513 -8.212 1.00 41.32 H new ATOM 0 HD12 LEU A 55 4.086 -7.226 -8.201 1.00 41.32 H new ATOM 0 HD13 LEU A 55 4.282 -8.654 -7.156 1.00 41.32 H new ATOM 0 HD21 LEU A 55 1.328 -8.797 -6.291 1.00 21.04 H new ATOM 0 HD22 LEU A 55 2.703 -8.953 -5.172 1.00 21.04 H new ATOM 0 HD23 LEU A 55 1.453 -7.721 -4.879 1.00 21.04 H new ATOM 888 N ASN A 56 5.153 -4.404 -3.865 1.00 53.32 N ATOM 889 CA ASN A 56 6.283 -4.122 -2.990 1.00 10.54 C ATOM 890 C ASN A 56 5.858 -3.276 -1.793 1.00 62.05 C ATOM 891 O ASN A 56 6.448 -3.378 -0.721 1.00 14.22 O ATOM 892 CB ASN A 56 7.445 -3.457 -3.748 1.00 33.52 C ATOM 893 CG ASN A 56 7.234 -1.983 -4.042 1.00 43.21 C ATOM 894 OD1 ASN A 56 6.758 -1.676 -5.233 1.00 44.54 O flip ATOM 895 ND2 ASN A 56 7.530 -1.122 -3.211 1.00 42.24 N flip ATOM 0 H ASN A 56 5.165 -3.910 -4.757 1.00 53.32 H new ATOM 0 HA ASN A 56 6.644 -5.080 -2.617 1.00 10.54 H new ATOM 0 HB2 ASN A 56 8.358 -3.572 -3.164 1.00 33.52 H new ATOM 0 HB3 ASN A 56 7.600 -3.985 -4.689 1.00 33.52 H new ATOM 0 HD21 ASN A 56 7.896 -1.397 -2.299 1.00 42.24 H new ATOM 0 HD22 ASN A 56 7.409 -0.134 -3.435 1.00 42.24 H new ATOM 902 N ASN A 57 4.820 -2.462 -1.961 1.00 13.05 N ATOM 903 CA ASN A 57 4.317 -1.656 -0.851 1.00 71.31 C ATOM 904 C ASN A 57 3.486 -2.503 0.103 1.00 44.24 C ATOM 905 O ASN A 57 3.599 -2.358 1.320 1.00 42.12 O ATOM 906 CB ASN A 57 3.522 -0.443 -1.344 1.00 14.25 C ATOM 907 CG ASN A 57 4.434 0.686 -1.782 1.00 21.40 C ATOM 908 OD1 ASN A 57 4.886 1.488 -0.967 1.00 13.24 O ATOM 909 ND2 ASN A 57 4.703 0.763 -3.072 1.00 71.04 N ATOM 0 H ASN A 57 4.317 -2.343 -2.840 1.00 13.05 H new ATOM 0 HA ASN A 57 5.181 -1.277 -0.305 1.00 71.31 H new ATOM 0 HB2 ASN A 57 2.885 -0.740 -2.177 1.00 14.25 H new ATOM 0 HB3 ASN A 57 2.864 -0.092 -0.549 1.00 14.25 H new ATOM 0 HD21 ASN A 57 5.305 1.507 -3.424 1.00 71.04 H new ATOM 0 HD22 ASN A 57 4.309 0.078 -3.717 1.00 71.04 H new ATOM 916 N TYR A 58 2.665 -3.399 -0.442 1.00 41.23 N ATOM 917 CA TYR A 58 1.958 -4.371 0.386 1.00 53.54 C ATOM 918 C TYR A 58 2.970 -5.228 1.131 1.00 11.03 C ATOM 919 O TYR A 58 2.818 -5.498 2.319 1.00 52.03 O ATOM 920 CB TYR A 58 1.040 -5.271 -0.454 1.00 4.42 C ATOM 921 CG TYR A 58 -0.261 -4.624 -0.879 1.00 12.42 C ATOM 922 CD1 TYR A 58 -0.946 -3.763 -0.031 1.00 30.20 C ATOM 923 CD2 TYR A 58 -0.813 -4.894 -2.125 1.00 14.52 C ATOM 924 CE1 TYR A 58 -2.144 -3.190 -0.414 1.00 25.20 C ATOM 925 CE2 TYR A 58 -2.007 -4.324 -2.515 1.00 62.13 C ATOM 926 CZ TYR A 58 -2.670 -3.475 -1.659 1.00 42.01 C ATOM 927 OH TYR A 58 -3.861 -2.906 -2.048 1.00 50.12 O ATOM 0 H TYR A 58 2.475 -3.471 -1.442 1.00 41.23 H new ATOM 0 HA TYR A 58 1.334 -3.824 1.092 1.00 53.54 H new ATOM 0 HB2 TYR A 58 1.581 -5.588 -1.346 1.00 4.42 H new ATOM 0 HB3 TYR A 58 0.813 -6.171 0.118 1.00 4.42 H new ATOM 0 HD1 TYR A 58 -0.536 -3.538 0.943 1.00 30.20 H new ATOM 0 HD2 TYR A 58 -0.298 -5.562 -2.800 1.00 14.52 H new ATOM 0 HE1 TYR A 58 -2.666 -2.523 0.256 1.00 25.20 H new ATOM 0 HE2 TYR A 58 -2.420 -4.543 -3.489 1.00 62.13 H new ATOM 0 HH TYR A 58 -4.198 -2.330 -1.330 1.00 50.12 H new ATOM 937 N GLN A 59 4.016 -5.633 0.421 1.00 63.33 N ATOM 938 CA GLN A 59 5.085 -6.419 1.010 1.00 43.23 C ATOM 939 C GLN A 59 5.777 -5.639 2.122 1.00 24.50 C ATOM 940 O GLN A 59 6.101 -6.197 3.164 1.00 74.53 O ATOM 941 CB GLN A 59 6.106 -6.823 -0.055 1.00 12.51 C ATOM 942 CG GLN A 59 7.201 -7.732 0.478 1.00 22.34 C ATOM 943 CD GLN A 59 6.650 -9.021 1.057 1.00 13.44 C ATOM 944 OE1 GLN A 59 5.636 -9.541 0.592 1.00 55.32 O ATOM 945 NE2 GLN A 59 7.303 -9.534 2.086 1.00 63.31 N ATOM 0 H GLN A 59 4.144 -5.427 -0.570 1.00 63.33 H new ATOM 0 HA GLN A 59 4.645 -7.321 1.436 1.00 43.23 H new ATOM 0 HB2 GLN A 59 5.589 -7.328 -0.871 1.00 12.51 H new ATOM 0 HB3 GLN A 59 6.560 -5.924 -0.473 1.00 12.51 H new ATOM 0 HG2 GLN A 59 7.898 -7.967 -0.326 1.00 22.34 H new ATOM 0 HG3 GLN A 59 7.766 -7.204 1.246 1.00 22.34 H new ATOM 0 HE21 GLN A 59 8.140 -9.071 2.441 1.00 63.31 H new ATOM 0 HE22 GLN A 59 6.970 -10.392 2.525 1.00 63.31 H new ATOM 954 N SER A 60 5.988 -4.346 1.898 1.00 64.35 N ATOM 955 CA SER A 60 6.632 -3.492 2.889 1.00 2.50 C ATOM 956 C SER A 60 5.857 -3.501 4.203 1.00 65.41 C ATOM 957 O SER A 60 6.449 -3.470 5.283 1.00 4.34 O ATOM 958 CB SER A 60 6.755 -2.063 2.357 1.00 55.34 C ATOM 959 OG SER A 60 7.577 -2.013 1.202 1.00 74.21 O ATOM 0 H SER A 60 5.722 -3.866 1.038 1.00 64.35 H new ATOM 0 HA SER A 60 7.630 -3.885 3.080 1.00 2.50 H new ATOM 0 HB2 SER A 60 5.765 -1.675 2.119 1.00 55.34 H new ATOM 0 HB3 SER A 60 7.172 -1.419 3.131 1.00 55.34 H new ATOM 0 HG SER A 60 7.055 -2.280 0.417 1.00 74.21 H new ATOM 965 N ALA A 61 4.533 -3.558 4.110 1.00 40.14 N ATOM 966 CA ALA A 61 3.694 -3.632 5.296 1.00 11.40 C ATOM 967 C ALA A 61 3.836 -4.993 5.970 1.00 41.22 C ATOM 968 O ALA A 61 3.941 -5.078 7.192 1.00 63.02 O ATOM 969 CB ALA A 61 2.241 -3.359 4.941 1.00 72.02 C ATOM 0 H ALA A 61 4.021 -3.554 3.228 1.00 40.14 H new ATOM 0 HA ALA A 61 4.025 -2.866 5.998 1.00 11.40 H new ATOM 0 HB1 ALA A 61 1.629 -3.419 5.841 1.00 72.02 H new ATOM 0 HB2 ALA A 61 2.153 -2.362 4.508 1.00 72.02 H new ATOM 0 HB3 ALA A 61 1.898 -4.100 4.219 1.00 72.02 H new ATOM 975 N ILE A 62 3.866 -6.047 5.159 1.00 73.41 N ATOM 976 CA ILE A 62 4.002 -7.415 5.659 1.00 3.42 C ATOM 977 C ILE A 62 5.357 -7.622 6.338 1.00 33.12 C ATOM 978 O ILE A 62 5.452 -8.296 7.365 1.00 64.33 O ATOM 979 CB ILE A 62 3.851 -8.442 4.518 1.00 33.12 C ATOM 980 CG1 ILE A 62 2.512 -8.256 3.801 1.00 32.22 C ATOM 981 CG2 ILE A 62 3.968 -9.857 5.062 1.00 42.45 C ATOM 982 CD1 ILE A 62 2.344 -9.161 2.603 1.00 32.01 C ATOM 0 H ILE A 62 3.797 -5.980 4.144 1.00 73.41 H new ATOM 0 HA ILE A 62 3.207 -7.568 6.389 1.00 3.42 H new ATOM 0 HB ILE A 62 4.653 -8.278 3.798 1.00 33.12 H new ATOM 0 HG12 ILE A 62 1.702 -8.443 4.505 1.00 32.22 H new ATOM 0 HG13 ILE A 62 2.421 -7.219 3.479 1.00 32.22 H new ATOM 0 HG21 ILE A 62 3.859 -10.571 4.245 1.00 42.45 H new ATOM 0 HG22 ILE A 62 4.944 -9.987 5.531 1.00 42.45 H new ATOM 0 HG23 ILE A 62 3.185 -10.029 5.801 1.00 42.45 H new ATOM 0 HD11 ILE A 62 1.374 -8.977 2.142 1.00 32.01 H new ATOM 0 HD12 ILE A 62 3.134 -8.958 1.880 1.00 32.01 H new ATOM 0 HD13 ILE A 62 2.403 -10.202 2.922 1.00 32.01 H new ATOM 994 N GLU A 63 6.398 -7.042 5.747 1.00 65.35 N ATOM 995 CA GLU A 63 7.752 -7.108 6.295 1.00 32.32 C ATOM 996 C GLU A 63 7.783 -6.603 7.737 1.00 42.05 C ATOM 997 O GLU A 63 8.531 -7.111 8.575 1.00 51.41 O ATOM 998 CB GLU A 63 8.705 -6.271 5.436 1.00 61.11 C ATOM 999 CG GLU A 63 8.976 -6.849 4.055 1.00 24.12 C ATOM 1000 CD GLU A 63 9.879 -8.062 4.101 1.00 35.32 C ATOM 1001 OE1 GLU A 63 11.060 -7.909 4.470 1.00 53.32 O ATOM 1002 OE2 GLU A 63 9.414 -9.171 3.762 1.00 44.32 O ATOM 0 H GLU A 63 6.329 -6.514 4.877 1.00 65.35 H new ATOM 0 HA GLU A 63 8.072 -8.150 6.286 1.00 32.32 H new ATOM 0 HB2 GLU A 63 8.289 -5.270 5.323 1.00 61.11 H new ATOM 0 HB3 GLU A 63 9.652 -6.164 5.964 1.00 61.11 H new ATOM 0 HG2 GLU A 63 8.030 -7.122 3.587 1.00 24.12 H new ATOM 0 HG3 GLU A 63 9.433 -6.084 3.428 1.00 24.12 H new ATOM 1009 N LEU A 64 6.959 -5.606 8.021 1.00 4.51 N ATOM 1010 CA LEU A 64 6.867 -5.046 9.360 1.00 12.45 C ATOM 1011 C LEU A 64 5.864 -5.834 10.191 1.00 15.20 C ATOM 1012 O LEU A 64 6.188 -6.344 11.262 1.00 3.51 O ATOM 1013 CB LEU A 64 6.443 -3.578 9.288 1.00 54.12 C ATOM 1014 CG LEU A 64 7.354 -2.679 8.447 1.00 31.41 C ATOM 1015 CD1 LEU A 64 6.721 -1.311 8.265 1.00 35.53 C ATOM 1016 CD2 LEU A 64 8.728 -2.544 9.092 1.00 31.31 C ATOM 0 H LEU A 64 6.342 -5.167 7.338 1.00 4.51 H new ATOM 0 HA LEU A 64 7.847 -5.110 9.834 1.00 12.45 H new ATOM 0 HB2 LEU A 64 5.433 -3.527 8.881 1.00 54.12 H new ATOM 0 HB3 LEU A 64 6.399 -3.178 10.301 1.00 54.12 H new ATOM 0 HG LEU A 64 7.480 -3.141 7.468 1.00 31.41 H new ATOM 0 HD11 LEU A 64 7.379 -0.682 7.665 1.00 35.53 H new ATOM 0 HD12 LEU A 64 5.762 -1.418 7.759 1.00 35.53 H new ATOM 0 HD13 LEU A 64 6.567 -0.849 9.240 1.00 35.53 H new ATOM 0 HD21 LEU A 64 9.357 -1.901 8.477 1.00 31.31 H new ATOM 0 HD22 LEU A 64 8.623 -2.106 10.085 1.00 31.31 H new ATOM 0 HD23 LEU A 64 9.188 -3.528 9.177 1.00 31.31 H new ATOM 1028 N ASN A 65 4.651 -5.939 9.675 1.00 74.43 N ATOM 1029 CA ASN A 65 3.569 -6.620 10.367 1.00 24.03 C ATOM 1030 C ASN A 65 3.147 -7.866 9.592 1.00 23.45 C ATOM 1031 O ASN A 65 2.557 -7.767 8.519 1.00 5.42 O ATOM 1032 CB ASN A 65 2.383 -5.664 10.540 1.00 31.33 C ATOM 1033 CG ASN A 65 1.156 -6.329 11.137 1.00 53.10 C ATOM 1034 OD1 ASN A 65 1.255 -7.297 11.895 1.00 3.24 O ATOM 1035 ND2 ASN A 65 -0.014 -5.804 10.807 1.00 54.11 N ATOM 0 H ASN A 65 4.389 -5.556 8.767 1.00 74.43 H new ATOM 0 HA ASN A 65 3.915 -6.932 11.352 1.00 24.03 H new ATOM 0 HB2 ASN A 65 2.685 -4.834 11.179 1.00 31.33 H new ATOM 0 HB3 ASN A 65 2.122 -5.241 9.570 1.00 31.33 H new ATOM 0 HD21 ASN A 65 -0.875 -6.201 11.183 1.00 54.11 H new ATOM 0 HD22 ASN A 65 -0.054 -5.003 10.177 1.00 54.11 H new ATOM 1042 N PRO A 66 3.467 -9.058 10.125 1.00 74.34 N ATOM 1043 CA PRO A 66 3.130 -10.329 9.474 1.00 44.33 C ATOM 1044 C PRO A 66 1.622 -10.538 9.380 1.00 3.30 C ATOM 1045 O PRO A 66 1.107 -11.003 8.363 1.00 24.01 O ATOM 1046 CB PRO A 66 3.770 -11.385 10.383 1.00 43.45 C ATOM 1047 CG PRO A 66 3.941 -10.711 11.701 1.00 41.52 C ATOM 1048 CD PRO A 66 4.179 -9.259 11.396 1.00 41.43 C ATOM 0 HA PRO A 66 3.490 -10.372 8.446 1.00 44.33 H new ATOM 0 HB2 PRO A 66 3.135 -12.267 10.471 1.00 43.45 H new ATOM 0 HB3 PRO A 66 4.728 -11.720 9.984 1.00 43.45 H new ATOM 0 HG2 PRO A 66 3.055 -10.839 12.323 1.00 41.52 H new ATOM 0 HG3 PRO A 66 4.780 -11.137 12.251 1.00 41.52 H new ATOM 0 HD2 PRO A 66 3.788 -8.614 12.182 1.00 41.43 H new ATOM 0 HD3 PRO A 66 5.242 -9.037 11.301 1.00 41.43 H new ATOM 1056 N ASP A 67 0.918 -10.164 10.436 1.00 63.21 N ATOM 1057 CA ASP A 67 -0.526 -10.313 10.477 1.00 11.21 C ATOM 1058 C ASP A 67 -1.174 -9.017 10.017 1.00 21.21 C ATOM 1059 O ASP A 67 -1.961 -8.394 10.735 1.00 62.14 O ATOM 1060 CB ASP A 67 -0.989 -10.685 11.888 1.00 22.32 C ATOM 1061 CG ASP A 67 -2.449 -11.092 11.933 1.00 74.23 C ATOM 1062 OD1 ASP A 67 -2.796 -12.138 11.348 1.00 63.01 O ATOM 1063 OD2 ASP A 67 -3.256 -10.374 12.562 1.00 43.44 O ATOM 0 H ASP A 67 1.325 -9.754 11.277 1.00 63.21 H new ATOM 0 HA ASP A 67 -0.827 -11.119 9.808 1.00 11.21 H new ATOM 0 HB2 ASP A 67 -0.375 -11.504 12.264 1.00 22.32 H new ATOM 0 HB3 ASP A 67 -0.831 -9.837 12.554 1.00 22.32 H new ATOM 1068 N SER A 68 -0.811 -8.603 8.816 1.00 2.43 N ATOM 1069 CA SER A 68 -1.306 -7.366 8.245 1.00 43.50 C ATOM 1070 C SER A 68 -2.387 -7.661 7.215 1.00 54.34 C ATOM 1071 O SER A 68 -2.319 -8.669 6.514 1.00 75.10 O ATOM 1072 CB SER A 68 -0.152 -6.597 7.586 1.00 1.13 C ATOM 1073 OG SER A 68 -0.588 -5.360 7.052 1.00 4.23 O ATOM 0 H SER A 68 -0.167 -9.114 8.212 1.00 2.43 H new ATOM 0 HA SER A 68 -1.734 -6.756 9.040 1.00 43.50 H new ATOM 0 HB2 SER A 68 0.634 -6.420 8.320 1.00 1.13 H new ATOM 0 HB3 SER A 68 0.284 -7.203 6.792 1.00 1.13 H new ATOM 0 HG SER A 68 -0.222 -4.625 7.588 1.00 4.23 H new ATOM 1079 N PRO A 69 -3.406 -6.792 7.113 1.00 62.53 N ATOM 1080 CA PRO A 69 -4.415 -6.882 6.056 1.00 0.12 C ATOM 1081 C PRO A 69 -3.770 -6.823 4.672 1.00 43.05 C ATOM 1082 O PRO A 69 -4.363 -7.237 3.675 1.00 70.14 O ATOM 1083 CB PRO A 69 -5.301 -5.653 6.288 1.00 42.33 C ATOM 1084 CG PRO A 69 -5.083 -5.287 7.714 1.00 10.30 C ATOM 1085 CD PRO A 69 -3.665 -5.671 8.030 1.00 50.04 C ATOM 0 HA PRO A 69 -4.969 -7.820 6.090 1.00 0.12 H new ATOM 0 HB2 PRO A 69 -5.024 -4.835 5.623 1.00 42.33 H new ATOM 0 HB3 PRO A 69 -6.349 -5.880 6.094 1.00 42.33 H new ATOM 0 HG2 PRO A 69 -5.242 -4.220 7.871 1.00 10.30 H new ATOM 0 HG3 PRO A 69 -5.783 -5.813 8.363 1.00 10.30 H new ATOM 0 HD2 PRO A 69 -2.976 -4.844 7.859 1.00 50.04 H new ATOM 0 HD3 PRO A 69 -3.552 -5.969 9.072 1.00 50.04 H new ATOM 1093 N ALA A 70 -2.534 -6.329 4.628 1.00 71.53 N ATOM 1094 CA ALA A 70 -1.778 -6.245 3.389 1.00 12.55 C ATOM 1095 C ALA A 70 -1.340 -7.630 2.933 1.00 2.13 C ATOM 1096 O ALA A 70 -0.980 -7.821 1.777 1.00 4.14 O ATOM 1097 CB ALA A 70 -0.574 -5.335 3.561 1.00 11.31 C ATOM 0 H ALA A 70 -2.035 -5.979 5.446 1.00 71.53 H new ATOM 0 HA ALA A 70 -2.424 -5.820 2.621 1.00 12.55 H new ATOM 0 HB1 ALA A 70 -0.020 -5.284 2.624 1.00 11.31 H new ATOM 0 HB2 ALA A 70 -0.910 -4.336 3.839 1.00 11.31 H new ATOM 0 HB3 ALA A 70 0.073 -5.731 4.344 1.00 11.31 H new ATOM 1103 N LEU A 71 -1.389 -8.595 3.847 1.00 11.01 N ATOM 1104 CA LEU A 71 -1.061 -9.982 3.533 1.00 73.34 C ATOM 1105 C LEU A 71 -1.993 -10.486 2.450 1.00 0.33 C ATOM 1106 O LEU A 71 -1.575 -11.027 1.425 1.00 60.13 O ATOM 1107 CB LEU A 71 -1.249 -10.858 4.773 1.00 64.52 C ATOM 1108 CG LEU A 71 -0.400 -12.126 4.811 1.00 15.31 C ATOM 1109 CD1 LEU A 71 1.070 -11.775 4.945 1.00 42.21 C ATOM 1110 CD2 LEU A 71 -0.841 -13.032 5.952 1.00 22.24 C ATOM 0 H LEU A 71 -1.655 -8.439 4.819 1.00 11.01 H new ATOM 0 HA LEU A 71 -0.025 -10.031 3.198 1.00 73.34 H new ATOM 0 HB2 LEU A 71 -1.022 -10.262 5.657 1.00 64.52 H new ATOM 0 HB3 LEU A 71 -2.299 -11.142 4.841 1.00 64.52 H new ATOM 0 HG LEU A 71 -0.542 -12.664 3.874 1.00 15.31 H new ATOM 0 HD11 LEU A 71 1.662 -12.690 4.971 1.00 42.21 H new ATOM 0 HD12 LEU A 71 1.378 -11.167 4.094 1.00 42.21 H new ATOM 0 HD13 LEU A 71 1.228 -11.215 5.867 1.00 42.21 H new ATOM 0 HD21 LEU A 71 -0.224 -13.930 5.962 1.00 22.24 H new ATOM 0 HD22 LEU A 71 -0.730 -12.504 6.899 1.00 22.24 H new ATOM 0 HD23 LEU A 71 -1.885 -13.311 5.812 1.00 22.24 H new ATOM 1122 N GLN A 72 -3.270 -10.280 2.707 1.00 54.24 N ATOM 1123 CA GLN A 72 -4.333 -10.759 1.848 1.00 43.44 C ATOM 1124 C GLN A 72 -4.426 -9.904 0.593 1.00 11.14 C ATOM 1125 O GLN A 72 -4.787 -10.388 -0.475 1.00 20.42 O ATOM 1126 CB GLN A 72 -5.635 -10.731 2.638 1.00 53.20 C ATOM 1127 CG GLN A 72 -5.484 -11.360 4.018 1.00 71.50 C ATOM 1128 CD GLN A 72 -5.367 -12.870 3.967 1.00 53.01 C ATOM 1129 OE1 GLN A 72 -6.365 -13.585 4.024 1.00 2.43 O ATOM 1130 NE2 GLN A 72 -4.144 -13.366 3.865 1.00 31.23 N ATOM 0 H GLN A 72 -3.601 -9.770 3.526 1.00 54.24 H new ATOM 0 HA GLN A 72 -4.129 -11.780 1.526 1.00 43.44 H new ATOM 0 HB2 GLN A 72 -5.971 -9.700 2.745 1.00 53.20 H new ATOM 0 HB3 GLN A 72 -6.407 -11.261 2.081 1.00 53.20 H new ATOM 0 HG2 GLN A 72 -4.600 -10.948 4.505 1.00 71.50 H new ATOM 0 HG3 GLN A 72 -6.342 -11.087 4.632 1.00 71.50 H new ATOM 0 HE21 GLN A 72 -3.341 -12.738 3.820 1.00 31.23 H new ATOM 0 HE22 GLN A 72 -4.004 -14.376 3.831 1.00 31.23 H new ATOM 1139 N ALA A 73 -4.076 -8.631 0.731 1.00 52.40 N ATOM 1140 CA ALA A 73 -4.052 -7.721 -0.402 1.00 3.33 C ATOM 1141 C ALA A 73 -2.891 -8.062 -1.334 1.00 15.23 C ATOM 1142 O ALA A 73 -3.017 -7.994 -2.556 1.00 63.51 O ATOM 1143 CB ALA A 73 -3.955 -6.284 0.080 1.00 42.43 C ATOM 0 H ALA A 73 -3.805 -8.207 1.618 1.00 52.40 H new ATOM 0 HA ALA A 73 -4.981 -7.832 -0.962 1.00 3.33 H new ATOM 0 HB1 ALA A 73 -3.938 -5.613 -0.779 1.00 42.43 H new ATOM 0 HB2 ALA A 73 -4.817 -6.051 0.706 1.00 42.43 H new ATOM 0 HB3 ALA A 73 -3.041 -6.155 0.659 1.00 42.43 H new ATOM 1149 N ARG A 74 -1.761 -8.435 -0.741 1.00 70.11 N ATOM 1150 CA ARG A 74 -0.604 -8.904 -1.497 1.00 4.40 C ATOM 1151 C ARG A 74 -0.993 -10.156 -2.271 1.00 1.51 C ATOM 1152 O ARG A 74 -0.664 -10.307 -3.447 1.00 61.50 O ATOM 1153 CB ARG A 74 0.548 -9.210 -0.530 1.00 72.21 C ATOM 1154 CG ARG A 74 1.947 -8.962 -1.086 1.00 70.25 C ATOM 1155 CD ARG A 74 2.324 -9.931 -2.196 1.00 11.01 C ATOM 1156 NE ARG A 74 2.153 -11.332 -1.802 1.00 11.13 N ATOM 1157 CZ ARG A 74 3.125 -12.098 -1.299 1.00 13.15 C ATOM 1158 NH1 ARG A 74 4.313 -11.580 -1.002 1.00 61.22 N ATOM 1159 NH2 ARG A 74 2.892 -13.383 -1.071 1.00 11.25 N ATOM 0 H ARG A 74 -1.621 -8.421 0.269 1.00 70.11 H new ATOM 0 HA ARG A 74 -0.278 -8.136 -2.198 1.00 4.40 H new ATOM 0 HB2 ARG A 74 0.418 -8.605 0.367 1.00 72.21 H new ATOM 0 HB3 ARG A 74 0.476 -10.254 -0.223 1.00 72.21 H new ATOM 0 HG2 ARG A 74 2.006 -7.942 -1.466 1.00 70.25 H new ATOM 0 HG3 ARG A 74 2.673 -9.043 -0.277 1.00 70.25 H new ATOM 0 HD2 ARG A 74 1.712 -9.727 -3.075 1.00 11.01 H new ATOM 0 HD3 ARG A 74 3.362 -9.762 -2.484 1.00 11.01 H new ATOM 0 HE ARG A 74 1.230 -11.750 -1.920 1.00 11.13 H new ATOM 0 HH11 ARG A 74 4.490 -10.588 -1.158 1.00 61.22 H new ATOM 0 HH12 ARG A 74 5.047 -12.175 -0.618 1.00 61.22 H new ATOM 0 HH21 ARG A 74 1.976 -13.780 -1.280 1.00 11.25 H new ATOM 0 HH22 ARG A 74 3.629 -13.975 -0.687 1.00 11.25 H new ATOM 1173 N LYS A 75 -1.711 -11.043 -1.591 1.00 65.40 N ATOM 1174 CA LYS A 75 -2.228 -12.258 -2.204 1.00 43.35 C ATOM 1175 C LYS A 75 -3.209 -11.925 -3.325 1.00 45.43 C ATOM 1176 O LYS A 75 -3.185 -12.551 -4.382 1.00 12.21 O ATOM 1177 CB LYS A 75 -2.901 -13.135 -1.140 1.00 14.43 C ATOM 1178 CG LYS A 75 -3.722 -14.283 -1.708 1.00 24.34 C ATOM 1179 CD LYS A 75 -4.193 -15.226 -0.612 1.00 65.30 C ATOM 1180 CE LYS A 75 -3.043 -16.060 -0.068 1.00 74.54 C ATOM 1181 NZ LYS A 75 -2.501 -16.986 -1.099 1.00 2.30 N ATOM 0 H LYS A 75 -1.949 -10.940 -0.605 1.00 65.40 H new ATOM 0 HA LYS A 75 -1.395 -12.810 -2.640 1.00 43.35 H new ATOM 0 HB2 LYS A 75 -2.133 -13.542 -0.482 1.00 14.43 H new ATOM 0 HB3 LYS A 75 -3.548 -12.509 -0.525 1.00 14.43 H new ATOM 0 HG2 LYS A 75 -4.584 -13.885 -2.243 1.00 24.34 H new ATOM 0 HG3 LYS A 75 -3.124 -14.836 -2.433 1.00 24.34 H new ATOM 0 HD2 LYS A 75 -4.642 -14.651 0.197 1.00 65.30 H new ATOM 0 HD3 LYS A 75 -4.969 -15.884 -1.004 1.00 65.30 H new ATOM 0 HE2 LYS A 75 -2.249 -15.401 0.283 1.00 74.54 H new ATOM 0 HE3 LYS A 75 -3.385 -16.634 0.793 1.00 74.54 H new ATOM 0 HZ1 LYS A 75 -1.947 -17.735 -0.636 1.00 2.30 H new ATOM 0 HZ2 LYS A 75 -3.287 -17.414 -1.629 1.00 2.30 H new ATOM 0 HZ3 LYS A 75 -1.889 -16.457 -1.753 1.00 2.30 H new ATOM 1195 N MET A 76 -4.055 -10.927 -3.089 1.00 62.53 N ATOM 1196 CA MET A 76 -5.024 -10.479 -4.087 1.00 34.11 C ATOM 1197 C MET A 76 -4.306 -10.108 -5.381 1.00 33.45 C ATOM 1198 O MET A 76 -4.667 -10.573 -6.463 1.00 44.45 O ATOM 1199 CB MET A 76 -5.803 -9.270 -3.551 1.00 73.44 C ATOM 1200 CG MET A 76 -7.150 -9.021 -4.226 1.00 23.42 C ATOM 1201 SD MET A 76 -7.029 -8.600 -5.977 1.00 62.25 S ATOM 1202 CE MET A 76 -6.133 -7.052 -5.902 1.00 24.12 C ATOM 0 H MET A 76 -4.090 -10.410 -2.211 1.00 62.53 H new ATOM 0 HA MET A 76 -5.724 -11.289 -4.293 1.00 34.11 H new ATOM 0 HB2 MET A 76 -5.969 -9.408 -2.483 1.00 73.44 H new ATOM 0 HB3 MET A 76 -5.186 -8.379 -3.665 1.00 73.44 H new ATOM 0 HG2 MET A 76 -7.768 -9.912 -4.119 1.00 23.42 H new ATOM 0 HG3 MET A 76 -7.663 -8.213 -3.704 1.00 23.42 H new ATOM 0 HE1 MET A 76 -6.241 -6.523 -6.849 1.00 24.12 H new ATOM 0 HE2 MET A 76 -6.534 -6.438 -5.095 1.00 24.12 H new ATOM 0 HE3 MET A 76 -5.078 -7.251 -5.716 1.00 24.12 H new ATOM 1212 N VAL A 77 -3.271 -9.283 -5.257 1.00 42.12 N ATOM 1213 CA VAL A 77 -2.508 -8.834 -6.415 1.00 74.12 C ATOM 1214 C VAL A 77 -1.758 -9.998 -7.060 1.00 54.40 C ATOM 1215 O VAL A 77 -1.682 -10.096 -8.281 1.00 71.34 O ATOM 1216 CB VAL A 77 -1.512 -7.714 -6.043 1.00 51.34 C ATOM 1217 CG1 VAL A 77 -0.784 -7.209 -7.280 1.00 41.30 C ATOM 1218 CG2 VAL A 77 -2.227 -6.567 -5.343 1.00 43.13 C ATOM 0 H VAL A 77 -2.942 -8.912 -4.366 1.00 42.12 H new ATOM 0 HA VAL A 77 -3.224 -8.431 -7.131 1.00 74.12 H new ATOM 0 HB VAL A 77 -0.776 -8.131 -5.356 1.00 51.34 H new ATOM 0 HG11 VAL A 77 -0.087 -6.420 -6.996 1.00 41.30 H new ATOM 0 HG12 VAL A 77 -0.234 -8.031 -7.739 1.00 41.30 H new ATOM 0 HG13 VAL A 77 -1.508 -6.814 -7.992 1.00 41.30 H new ATOM 0 HG21 VAL A 77 -1.506 -5.789 -5.090 1.00 43.13 H new ATOM 0 HG22 VAL A 77 -2.988 -6.155 -6.005 1.00 43.13 H new ATOM 0 HG23 VAL A 77 -2.699 -6.934 -4.432 1.00 43.13 H new ATOM 1228 N MET A 78 -1.218 -10.889 -6.240 1.00 63.40 N ATOM 1229 CA MET A 78 -0.523 -12.063 -6.756 1.00 3.21 C ATOM 1230 C MET A 78 -1.478 -12.960 -7.529 1.00 63.43 C ATOM 1231 O MET A 78 -1.140 -13.459 -8.602 1.00 64.14 O ATOM 1232 CB MET A 78 0.142 -12.849 -5.625 1.00 12.51 C ATOM 1233 CG MET A 78 1.390 -12.187 -5.051 1.00 10.53 C ATOM 1234 SD MET A 78 2.879 -12.441 -6.050 1.00 33.43 S ATOM 1235 CE MET A 78 2.499 -11.525 -7.543 1.00 61.44 C ATOM 0 H MET A 78 -1.246 -10.824 -5.222 1.00 63.40 H new ATOM 0 HA MET A 78 0.255 -11.716 -7.436 1.00 3.21 H new ATOM 0 HB2 MET A 78 -0.582 -12.991 -4.822 1.00 12.51 H new ATOM 0 HB3 MET A 78 0.407 -13.840 -5.994 1.00 12.51 H new ATOM 0 HG2 MET A 78 1.209 -11.117 -4.952 1.00 10.53 H new ATOM 0 HG3 MET A 78 1.567 -12.575 -4.048 1.00 10.53 H new ATOM 0 HE1 MET A 78 3.418 -11.115 -7.962 1.00 61.44 H new ATOM 0 HE2 MET A 78 2.035 -12.191 -8.270 1.00 61.44 H new ATOM 0 HE3 MET A 78 1.813 -10.712 -7.306 1.00 61.44 H new ATOM 1245 N ASP A 79 -2.678 -13.143 -6.992 1.00 11.21 N ATOM 1246 CA ASP A 79 -3.688 -13.976 -7.634 1.00 54.44 C ATOM 1247 C ASP A 79 -4.210 -13.318 -8.904 1.00 10.01 C ATOM 1248 O ASP A 79 -4.395 -13.983 -9.924 1.00 31.01 O ATOM 1249 CB ASP A 79 -4.851 -14.250 -6.675 1.00 40.43 C ATOM 1250 CG ASP A 79 -5.914 -15.147 -7.283 1.00 13.12 C ATOM 1251 OD1 ASP A 79 -5.779 -16.386 -7.195 1.00 63.25 O ATOM 1252 OD2 ASP A 79 -6.905 -14.623 -7.835 1.00 40.23 O ATOM 0 H ASP A 79 -2.976 -12.725 -6.111 1.00 11.21 H new ATOM 0 HA ASP A 79 -3.218 -14.923 -7.901 1.00 54.44 H new ATOM 0 HB2 ASP A 79 -4.466 -14.714 -5.767 1.00 40.43 H new ATOM 0 HB3 ASP A 79 -5.305 -13.304 -6.381 1.00 40.43 H new ATOM 1257 N ILE A 80 -4.431 -12.008 -8.853 1.00 13.54 N ATOM 1258 CA ILE A 80 -4.936 -11.287 -10.014 1.00 53.04 C ATOM 1259 C ILE A 80 -3.878 -11.252 -11.120 1.00 54.04 C ATOM 1260 O ILE A 80 -4.204 -11.360 -12.300 1.00 31.30 O ATOM 1261 CB ILE A 80 -5.414 -9.851 -9.654 1.00 11.44 C ATOM 1262 CG1 ILE A 80 -6.347 -9.312 -10.741 1.00 52.33 C ATOM 1263 CG2 ILE A 80 -4.242 -8.900 -9.458 1.00 2.43 C ATOM 1264 CD1 ILE A 80 -6.975 -7.980 -10.391 1.00 44.44 C ATOM 0 H ILE A 80 -4.270 -11.430 -8.028 1.00 13.54 H new ATOM 0 HA ILE A 80 -5.810 -11.827 -10.380 1.00 53.04 H new ATOM 0 HB ILE A 80 -5.957 -9.914 -8.711 1.00 11.44 H new ATOM 0 HG12 ILE A 80 -5.787 -9.208 -11.670 1.00 52.33 H new ATOM 0 HG13 ILE A 80 -7.137 -10.040 -10.925 1.00 52.33 H new ATOM 0 HG21 ILE A 80 -4.617 -7.907 -9.208 1.00 2.43 H new ATOM 0 HG22 ILE A 80 -3.610 -9.264 -8.648 1.00 2.43 H new ATOM 0 HG23 ILE A 80 -3.659 -8.847 -10.377 1.00 2.43 H new ATOM 0 HD11 ILE A 80 -7.624 -7.658 -11.206 1.00 44.44 H new ATOM 0 HD12 ILE A 80 -7.562 -8.083 -9.479 1.00 44.44 H new ATOM 0 HD13 ILE A 80 -6.192 -7.238 -10.236 1.00 44.44 H new ATOM 1276 N LEU A 81 -2.609 -11.140 -10.730 1.00 10.43 N ATOM 1277 CA LEU A 81 -1.511 -11.197 -11.687 1.00 72.12 C ATOM 1278 C LEU A 81 -1.365 -12.598 -12.251 1.00 21.12 C ATOM 1279 O LEU A 81 -1.163 -12.768 -13.447 1.00 13.11 O ATOM 1280 CB LEU A 81 -0.197 -10.747 -11.047 1.00 23.30 C ATOM 1281 CG LEU A 81 -0.041 -9.235 -10.889 1.00 53.03 C ATOM 1282 CD1 LEU A 81 1.264 -8.898 -10.186 1.00 0.53 C ATOM 1283 CD2 LEU A 81 -0.105 -8.556 -12.249 1.00 53.31 C ATOM 0 H LEU A 81 -2.319 -11.010 -9.761 1.00 10.43 H new ATOM 0 HA LEU A 81 -1.745 -10.513 -12.503 1.00 72.12 H new ATOM 0 HB2 LEU A 81 -0.111 -11.211 -10.064 1.00 23.30 H new ATOM 0 HB3 LEU A 81 0.630 -11.122 -11.650 1.00 23.30 H new ATOM 0 HG LEU A 81 -0.862 -8.866 -10.274 1.00 53.03 H new ATOM 0 HD11 LEU A 81 1.354 -7.816 -10.084 1.00 0.53 H new ATOM 0 HD12 LEU A 81 1.274 -9.357 -9.198 1.00 0.53 H new ATOM 0 HD13 LEU A 81 2.101 -9.278 -10.771 1.00 0.53 H new ATOM 0 HD21 LEU A 81 0.007 -7.479 -12.124 1.00 53.31 H new ATOM 0 HD22 LEU A 81 0.698 -8.933 -12.882 1.00 53.31 H new ATOM 0 HD23 LEU A 81 -1.066 -8.769 -12.717 1.00 53.31 H new ATOM 1295 N ASN A 82 -1.482 -13.599 -11.384 1.00 74.30 N ATOM 1296 CA ASN A 82 -1.436 -14.995 -11.806 1.00 2.43 C ATOM 1297 C ASN A 82 -2.543 -15.269 -12.818 1.00 44.22 C ATOM 1298 O ASN A 82 -2.351 -15.990 -13.799 1.00 2.32 O ATOM 1299 CB ASN A 82 -1.593 -15.915 -10.592 1.00 43.13 C ATOM 1300 CG ASN A 82 -1.408 -17.382 -10.929 1.00 51.54 C ATOM 1301 OD1 ASN A 82 -2.358 -18.088 -11.262 1.00 22.21 O ATOM 1302 ND2 ASN A 82 -0.177 -17.851 -10.834 1.00 15.21 N ATOM 0 H ASN A 82 -1.610 -13.468 -10.381 1.00 74.30 H new ATOM 0 HA ASN A 82 -0.472 -15.193 -12.275 1.00 2.43 H new ATOM 0 HB2 ASN A 82 -0.867 -15.629 -9.831 1.00 43.13 H new ATOM 0 HB3 ASN A 82 -2.583 -15.770 -10.159 1.00 43.13 H new ATOM 0 HD21 ASN A 82 0.012 -18.832 -11.040 1.00 15.21 H new ATOM 0 HD22 ASN A 82 0.584 -17.232 -10.554 1.00 15.21 H new ATOM 1309 N PHE A 83 -3.699 -14.669 -12.567 1.00 42.33 N ATOM 1310 CA PHE A 83 -4.833 -14.751 -13.472 1.00 73.11 C ATOM 1311 C PHE A 83 -4.505 -14.081 -14.807 1.00 32.44 C ATOM 1312 O PHE A 83 -4.839 -14.604 -15.870 1.00 13.13 O ATOM 1313 CB PHE A 83 -6.057 -14.093 -12.826 1.00 12.12 C ATOM 1314 CG PHE A 83 -7.286 -14.102 -13.686 1.00 34.14 C ATOM 1315 CD1 PHE A 83 -8.014 -15.266 -13.866 1.00 22.42 C ATOM 1316 CD2 PHE A 83 -7.716 -12.941 -14.310 1.00 43.13 C ATOM 1317 CE1 PHE A 83 -9.150 -15.274 -14.651 1.00 72.43 C ATOM 1318 CE2 PHE A 83 -8.851 -12.944 -15.098 1.00 3.30 C ATOM 1319 CZ PHE A 83 -9.568 -14.111 -15.269 1.00 20.25 C ATOM 0 H PHE A 83 -3.875 -14.113 -11.730 1.00 42.33 H new ATOM 0 HA PHE A 83 -5.056 -15.800 -13.667 1.00 73.11 H new ATOM 0 HB2 PHE A 83 -6.279 -14.605 -11.890 1.00 12.12 H new ATOM 0 HB3 PHE A 83 -5.811 -13.061 -12.575 1.00 12.12 H new ATOM 0 HD1 PHE A 83 -7.690 -16.178 -13.387 1.00 22.42 H new ATOM 0 HD2 PHE A 83 -7.158 -12.025 -14.179 1.00 43.13 H new ATOM 0 HE1 PHE A 83 -9.711 -16.188 -14.782 1.00 72.43 H new ATOM 0 HE2 PHE A 83 -9.177 -12.034 -15.580 1.00 3.30 H new ATOM 0 HZ PHE A 83 -10.455 -14.115 -15.885 1.00 20.25 H new ATOM 1329 N TYR A 84 -3.851 -12.926 -14.743 1.00 21.54 N ATOM 1330 CA TYR A 84 -3.444 -12.210 -15.947 1.00 52.22 C ATOM 1331 C TYR A 84 -2.403 -13.005 -16.728 1.00 43.41 C ATOM 1332 O TYR A 84 -2.677 -13.491 -17.827 1.00 71.00 O ATOM 1333 CB TYR A 84 -2.881 -10.826 -15.605 1.00 34.55 C ATOM 1334 CG TYR A 84 -3.914 -9.839 -15.108 1.00 64.32 C ATOM 1335 CD1 TYR A 84 -5.191 -9.804 -15.654 1.00 15.13 C ATOM 1336 CD2 TYR A 84 -3.604 -8.931 -14.105 1.00 14.12 C ATOM 1337 CE1 TYR A 84 -6.131 -8.892 -15.212 1.00 24.43 C ATOM 1338 CE2 TYR A 84 -4.538 -8.019 -13.657 1.00 74.21 C ATOM 1339 CZ TYR A 84 -5.798 -8.003 -14.213 1.00 44.12 C ATOM 1340 OH TYR A 84 -6.725 -7.088 -13.772 1.00 64.33 O ATOM 0 H TYR A 84 -3.591 -12.466 -13.871 1.00 21.54 H new ATOM 0 HA TYR A 84 -4.333 -12.084 -16.565 1.00 52.22 H new ATOM 0 HB2 TYR A 84 -2.108 -10.939 -14.845 1.00 34.55 H new ATOM 0 HB3 TYR A 84 -2.399 -10.414 -16.491 1.00 34.55 H new ATOM 0 HD1 TYR A 84 -5.454 -10.501 -16.436 1.00 15.13 H new ATOM 0 HD2 TYR A 84 -2.616 -8.938 -13.668 1.00 14.12 H new ATOM 0 HE1 TYR A 84 -7.120 -8.876 -15.647 1.00 24.43 H new ATOM 0 HE2 TYR A 84 -4.282 -7.321 -12.874 1.00 74.21 H new ATOM 0 HH TYR A 84 -6.330 -6.537 -13.064 1.00 64.33 H new