USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 686 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 Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 9 ASN : amide:sc=-0.00963 K(o=-0.0096,f=-0.98) USER MOD Single : A 12 SER OG : rot 75:sc= 1.23 USER MOD Single : A 13 TYR OH : rot 25:sc= 0.886 USER MOD Single : A 15 ASN : amide:sc= -0.0445 X(o=-0.044,f=-0.28!) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 2.38 (180deg=2.2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 82:sc= 0.842 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.232 USER MOD Single : A 30 SER OG : rot -48:sc= 0.958 USER MOD Single : A 36 HIS : no HD1:sc= -0.0108 X(o=-0.011,f=-0.017) USER MOD Single : A 37 THR OG1 : rot 83:sc= 1.03 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.78 X(o=-0.78,f=-1) USER MOD Single : A 40 LYS NZ :NH3+ -123:sc= 1.04 (180deg=-0.0655) USER MOD Single : A 42 GLN : amide:sc= -0.0455 K(o=-0.045,f=-0.78) USER MOD Single : A 44 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -146:sc= -5.52! (180deg=-11.5!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 73:sc= 0.426 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 175:sc= 1.18 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 16.119 -16.754 0.838 1.00 41.32 N ATOM 2 CA GLU A 1 17.101 -15.691 0.821 1.00 51.32 C ATOM 3 C GLU A 1 17.420 -15.251 2.253 1.00 21.14 C ATOM 4 O GLU A 1 16.516 -14.986 3.053 1.00 53.35 O ATOM 5 CB GLU A 1 16.594 -14.514 -0.032 1.00 21.44 C ATOM 6 CG GLU A 1 17.539 -13.319 -0.107 1.00 22.31 C ATOM 7 CD GLU A 1 18.914 -13.678 -0.600 1.00 23.13 C ATOM 8 OE1 GLU A 1 19.782 -14.033 0.227 1.00 24.45 O ATOM 9 OE2 GLU A 1 19.156 -13.612 -1.816 1.00 21.34 O ATOM 0 H1 GLU A 1 15.908 -17.047 -0.137 1.00 41.32 H new ATOM 0 H2 GLU A 1 16.495 -17.565 1.370 1.00 41.32 H new ATOM 0 H3 GLU A 1 15.248 -16.415 1.294 1.00 41.32 H new ATOM 0 HA GLU A 1 18.023 -16.057 0.368 1.00 51.32 H new ATOM 0 HB2 GLU A 1 16.405 -14.873 -1.044 1.00 21.44 H new ATOM 0 HB3 GLU A 1 15.638 -14.178 0.371 1.00 21.44 H new ATOM 0 HG2 GLU A 1 17.109 -12.566 -0.767 1.00 22.31 H new ATOM 0 HG3 GLU A 1 17.621 -12.867 0.882 1.00 22.31 H new ATOM 16 N SER A 2 18.687 -15.179 2.558 1.00 3.04 N ATOM 17 CA SER A 2 19.153 -14.817 3.872 1.00 64.43 C ATOM 18 C SER A 2 19.280 -13.293 4.014 1.00 12.55 C ATOM 19 O SER A 2 19.372 -12.764 5.124 1.00 15.15 O ATOM 20 CB SER A 2 20.485 -15.504 4.129 1.00 13.41 C ATOM 21 OG SER A 2 20.362 -16.907 3.924 1.00 31.24 O ATOM 0 H SER A 2 19.436 -15.372 1.893 1.00 3.04 H new ATOM 0 HA SER A 2 18.427 -15.147 4.615 1.00 64.43 H new ATOM 0 HB2 SER A 2 21.247 -15.097 3.464 1.00 13.41 H new ATOM 0 HB3 SER A 2 20.814 -15.306 5.149 1.00 13.41 H new ATOM 0 HG SER A 2 21.226 -17.339 4.091 1.00 31.24 H new ATOM 27 N ASP A 3 19.302 -12.594 2.897 1.00 14.12 N ATOM 28 CA ASP A 3 19.341 -11.137 2.918 1.00 70.31 C ATOM 29 C ASP A 3 17.963 -10.583 2.789 1.00 2.32 C ATOM 30 O ASP A 3 17.171 -11.063 1.984 1.00 30.55 O ATOM 31 CB ASP A 3 20.246 -10.552 1.835 1.00 13.15 C ATOM 32 CG ASP A 3 21.679 -10.423 2.273 1.00 30.12 C ATOM 33 OD1 ASP A 3 22.476 -11.375 2.090 1.00 53.04 O ATOM 34 OD2 ASP A 3 22.047 -9.362 2.801 1.00 52.42 O ATOM 0 H ASP A 3 19.294 -13.005 1.964 1.00 14.12 H new ATOM 0 HA ASP A 3 19.767 -10.846 3.879 1.00 70.31 H new ATOM 0 HB2 ASP A 3 20.198 -11.185 0.949 1.00 13.15 H new ATOM 0 HB3 ASP A 3 19.870 -9.570 1.546 1.00 13.15 H new ATOM 39 N SER A 4 17.669 -9.567 3.543 1.00 21.50 N ATOM 40 CA SER A 4 16.344 -8.987 3.552 1.00 11.13 C ATOM 41 C SER A 4 16.174 -7.964 2.418 1.00 51.12 C ATOM 42 O SER A 4 15.766 -6.835 2.641 1.00 61.41 O ATOM 43 CB SER A 4 16.075 -8.365 4.919 1.00 75.34 C ATOM 44 OG SER A 4 16.328 -9.312 5.950 1.00 52.44 O ATOM 0 H SER A 4 18.333 -9.112 4.170 1.00 21.50 H new ATOM 0 HA SER A 4 15.609 -9.772 3.375 1.00 11.13 H new ATOM 0 HB2 SER A 4 16.707 -7.488 5.058 1.00 75.34 H new ATOM 0 HB3 SER A 4 15.041 -8.024 4.974 1.00 75.34 H new ATOM 0 HG SER A 4 16.154 -8.901 6.822 1.00 52.44 H new ATOM 50 N VAL A 5 16.425 -8.416 1.213 1.00 12.14 N ATOM 51 CA VAL A 5 16.366 -7.616 0.009 1.00 2.24 C ATOM 52 C VAL A 5 14.956 -7.084 -0.204 1.00 34.24 C ATOM 53 O VAL A 5 14.751 -5.888 -0.409 1.00 71.42 O ATOM 54 CB VAL A 5 16.766 -8.480 -1.199 1.00 11.13 C ATOM 55 CG1 VAL A 5 16.838 -7.647 -2.455 1.00 42.35 C ATOM 56 CG2 VAL A 5 18.079 -9.198 -0.928 1.00 24.25 C ATOM 0 H VAL A 5 16.686 -9.386 1.035 1.00 12.14 H new ATOM 0 HA VAL A 5 17.053 -6.776 0.111 1.00 2.24 H new ATOM 0 HB VAL A 5 15.998 -9.237 -1.354 1.00 11.13 H new ATOM 0 HG11 VAL A 5 17.123 -8.280 -3.296 1.00 42.35 H new ATOM 0 HG12 VAL A 5 15.864 -7.200 -2.651 1.00 42.35 H new ATOM 0 HG13 VAL A 5 17.580 -6.859 -2.327 1.00 42.35 H new ATOM 0 HG21 VAL A 5 18.347 -9.805 -1.793 1.00 24.25 H new ATOM 0 HG22 VAL A 5 18.863 -8.464 -0.742 1.00 24.25 H new ATOM 0 HG23 VAL A 5 17.969 -9.840 -0.054 1.00 24.25 H new ATOM 66 N GLU A 6 13.995 -7.983 -0.108 1.00 23.02 N ATOM 67 CA GLU A 6 12.574 -7.670 -0.255 1.00 52.10 C ATOM 68 C GLU A 6 12.138 -6.611 0.737 1.00 54.54 C ATOM 69 O GLU A 6 11.349 -5.722 0.418 1.00 32.32 O ATOM 70 CB GLU A 6 11.763 -8.926 -0.020 1.00 52.21 C ATOM 71 CG GLU A 6 11.930 -9.968 -1.091 1.00 20.31 C ATOM 72 CD GLU A 6 11.338 -9.523 -2.396 1.00 14.42 C ATOM 73 OE1 GLU A 6 10.112 -9.600 -2.547 1.00 13.01 O ATOM 74 OE2 GLU A 6 12.082 -9.085 -3.293 1.00 31.22 O ATOM 0 H GLU A 6 14.176 -8.970 0.077 1.00 23.02 H new ATOM 0 HA GLU A 6 12.410 -7.288 -1.263 1.00 52.10 H new ATOM 0 HB2 GLU A 6 12.048 -9.357 0.940 1.00 52.21 H new ATOM 0 HB3 GLU A 6 10.709 -8.658 0.051 1.00 52.21 H new ATOM 0 HG2 GLU A 6 12.990 -10.183 -1.227 1.00 20.31 H new ATOM 0 HG3 GLU A 6 11.454 -10.896 -0.773 1.00 20.31 H new ATOM 81 N PHE A 7 12.682 -6.706 1.917 1.00 21.12 N ATOM 82 CA PHE A 7 12.369 -5.814 2.986 1.00 24.01 C ATOM 83 C PHE A 7 13.050 -4.495 2.743 1.00 2.24 C ATOM 84 O PHE A 7 12.414 -3.491 2.775 1.00 22.10 O ATOM 85 CB PHE A 7 12.816 -6.442 4.288 1.00 52.41 C ATOM 86 CG PHE A 7 12.378 -5.754 5.532 1.00 21.21 C ATOM 87 CD1 PHE A 7 11.064 -5.819 5.932 1.00 13.43 C ATOM 88 CD2 PHE A 7 13.284 -5.070 6.309 1.00 31.00 C ATOM 89 CE1 PHE A 7 10.647 -5.203 7.098 1.00 1.32 C ATOM 90 CE2 PHE A 7 12.887 -4.453 7.481 1.00 62.20 C ATOM 91 CZ PHE A 7 11.561 -4.519 7.877 1.00 11.41 C ATOM 0 H PHE A 7 13.367 -7.420 2.163 1.00 21.12 H new ATOM 0 HA PHE A 7 11.296 -5.633 3.042 1.00 24.01 H new ATOM 0 HB2 PHE A 7 12.450 -7.468 4.317 1.00 52.41 H new ATOM 0 HB3 PHE A 7 13.905 -6.491 4.289 1.00 52.41 H new ATOM 0 HD1 PHE A 7 10.349 -6.358 5.328 1.00 13.43 H new ATOM 0 HD2 PHE A 7 14.317 -5.014 6.000 1.00 31.00 H new ATOM 0 HE1 PHE A 7 9.611 -5.256 7.399 1.00 1.32 H new ATOM 0 HE2 PHE A 7 13.608 -3.922 8.085 1.00 62.20 H new ATOM 0 HZ PHE A 7 11.243 -4.038 8.790 1.00 11.41 H new ATOM 101 N ASN A 8 14.335 -4.519 2.431 1.00 23.45 N ATOM 102 CA ASN A 8 15.108 -3.285 2.163 1.00 74.44 C ATOM 103 C ASN A 8 14.488 -2.490 1.021 1.00 15.12 C ATOM 104 O ASN A 8 14.380 -1.259 1.098 1.00 21.22 O ATOM 105 CB ASN A 8 16.569 -3.580 1.806 1.00 21.14 C ATOM 106 CG ASN A 8 17.404 -4.160 2.925 1.00 10.51 C ATOM 107 OD1 ASN A 8 17.172 -3.895 4.112 1.00 31.20 O ATOM 108 ND2 ASN A 8 18.402 -4.933 2.566 1.00 51.53 N ATOM 0 H ASN A 8 14.881 -5.377 2.353 1.00 23.45 H new ATOM 0 HA ASN A 8 15.080 -2.705 3.085 1.00 74.44 H new ATOM 0 HB2 ASN A 8 16.587 -4.273 0.965 1.00 21.14 H new ATOM 0 HB3 ASN A 8 17.037 -2.655 1.468 1.00 21.14 H new ATOM 0 HD21 ASN A 8 19.015 -5.336 3.274 1.00 51.53 H new ATOM 0 HD22 ASN A 8 18.564 -5.131 1.579 1.00 51.53 H new ATOM 115 N ASN A 9 14.079 -3.184 -0.036 1.00 22.24 N ATOM 116 CA ASN A 9 13.407 -2.529 -1.160 1.00 40.43 C ATOM 117 C ASN A 9 12.107 -1.924 -0.700 1.00 23.11 C ATOM 118 O ASN A 9 11.785 -0.785 -1.051 1.00 14.33 O ATOM 119 CB ASN A 9 13.149 -3.479 -2.335 1.00 74.01 C ATOM 120 CG ASN A 9 14.414 -3.926 -3.039 1.00 50.15 C ATOM 121 OD1 ASN A 9 15.426 -3.223 -3.046 1.00 53.31 O ATOM 122 ND2 ASN A 9 14.364 -5.071 -3.659 1.00 33.24 N ATOM 0 H ASN A 9 14.198 -4.192 -0.141 1.00 22.24 H new ATOM 0 HA ASN A 9 14.078 -1.749 -1.519 1.00 40.43 H new ATOM 0 HB2 ASN A 9 12.615 -4.357 -1.972 1.00 74.01 H new ATOM 0 HB3 ASN A 9 12.497 -2.985 -3.055 1.00 74.01 H new ATOM 0 HD21 ASN A 9 15.179 -5.410 -4.170 1.00 33.24 H new ATOM 0 HD22 ASN A 9 13.510 -5.628 -3.633 1.00 33.24 H new ATOM 129 N ALA A 10 11.387 -2.675 0.125 1.00 35.13 N ATOM 130 CA ALA A 10 10.146 -2.221 0.724 1.00 3.03 C ATOM 131 C ALA A 10 10.401 -0.962 1.550 1.00 45.11 C ATOM 132 O ALA A 10 9.676 0.017 1.435 1.00 32.01 O ATOM 133 CB ALA A 10 9.553 -3.326 1.600 1.00 45.10 C ATOM 0 H ALA A 10 11.653 -3.622 0.396 1.00 35.13 H new ATOM 0 HA ALA A 10 9.432 -1.984 -0.064 1.00 3.03 H new ATOM 0 HB1 ALA A 10 8.622 -2.977 2.046 1.00 45.10 H new ATOM 0 HB2 ALA A 10 9.355 -4.207 0.990 1.00 45.10 H new ATOM 0 HB3 ALA A 10 10.259 -3.583 2.390 1.00 45.10 H new ATOM 139 N ILE A 11 11.475 -0.987 2.340 1.00 73.14 N ATOM 140 CA ILE A 11 11.853 0.135 3.192 1.00 32.23 C ATOM 141 C ILE A 11 12.149 1.348 2.358 1.00 4.44 C ATOM 142 O ILE A 11 11.727 2.428 2.678 1.00 4.30 O ATOM 143 CB ILE A 11 13.111 -0.139 4.037 1.00 51.10 C ATOM 144 CG1 ILE A 11 13.006 -1.456 4.773 1.00 14.44 C ATOM 145 CG2 ILE A 11 13.340 0.993 5.029 1.00 24.43 C ATOM 146 CD1 ILE A 11 11.708 -1.703 5.494 1.00 45.30 C ATOM 0 H ILE A 11 12.105 -1.786 2.405 1.00 73.14 H new ATOM 0 HA ILE A 11 11.004 0.292 3.857 1.00 32.23 H new ATOM 0 HB ILE A 11 13.960 -0.197 3.356 1.00 51.10 H new ATOM 0 HG12 ILE A 11 13.162 -2.264 4.058 1.00 14.44 H new ATOM 0 HG13 ILE A 11 13.818 -1.511 5.498 1.00 14.44 H new ATOM 0 HG21 ILE A 11 14.233 0.785 5.619 1.00 24.43 H new ATOM 0 HG22 ILE A 11 13.473 1.930 4.488 1.00 24.43 H new ATOM 0 HG23 ILE A 11 12.478 1.076 5.692 1.00 24.43 H new ATOM 0 HD11 ILE A 11 11.744 -2.675 5.985 1.00 45.30 H new ATOM 0 HD12 ILE A 11 11.553 -0.924 6.241 1.00 45.30 H new ATOM 0 HD13 ILE A 11 10.886 -1.688 4.778 1.00 45.30 H new ATOM 158 N SER A 12 12.859 1.139 1.268 1.00 21.32 N ATOM 159 CA SER A 12 13.244 2.213 0.374 1.00 65.11 C ATOM 160 C SER A 12 12.004 2.912 -0.205 1.00 15.24 C ATOM 161 O SER A 12 11.978 4.145 -0.358 1.00 62.23 O ATOM 162 CB SER A 12 14.152 1.657 -0.720 1.00 72.32 C ATOM 163 OG SER A 12 15.292 1.001 -0.135 1.00 12.00 O ATOM 0 H SER A 12 13.186 0.218 0.976 1.00 21.32 H new ATOM 0 HA SER A 12 13.800 2.969 0.928 1.00 65.11 H new ATOM 0 HB2 SER A 12 13.597 0.953 -1.340 1.00 72.32 H new ATOM 0 HB3 SER A 12 14.483 2.465 -1.373 1.00 72.32 H new ATOM 0 HG SER A 12 15.017 0.137 0.236 1.00 12.00 H new ATOM 169 N TYR A 13 10.971 2.127 -0.468 1.00 3.22 N ATOM 170 CA TYR A 13 9.705 2.643 -0.940 1.00 75.00 C ATOM 171 C TYR A 13 9.013 3.402 0.191 1.00 11.01 C ATOM 172 O TYR A 13 8.581 4.544 0.020 1.00 13.04 O ATOM 173 CB TYR A 13 8.823 1.483 -1.454 1.00 61.14 C ATOM 174 CG TYR A 13 7.419 1.881 -1.872 1.00 11.21 C ATOM 175 CD1 TYR A 13 7.213 2.754 -2.925 1.00 22.12 C ATOM 176 CD2 TYR A 13 6.302 1.371 -1.218 1.00 0.15 C ATOM 177 CE1 TYR A 13 5.939 3.113 -3.315 1.00 70.10 C ATOM 178 CE2 TYR A 13 5.021 1.728 -1.606 1.00 2.44 C ATOM 179 CZ TYR A 13 4.849 2.601 -2.656 1.00 3.12 C ATOM 180 OH TYR A 13 3.579 2.966 -3.052 1.00 3.42 O ATOM 0 H TYR A 13 10.991 1.113 -0.359 1.00 3.22 H new ATOM 0 HA TYR A 13 9.872 3.332 -1.768 1.00 75.00 H new ATOM 0 HB2 TYR A 13 9.321 1.017 -2.305 1.00 61.14 H new ATOM 0 HB3 TYR A 13 8.752 0.726 -0.673 1.00 61.14 H new ATOM 0 HD1 TYR A 13 8.064 3.162 -3.451 1.00 22.12 H new ATOM 0 HD2 TYR A 13 6.436 0.685 -0.394 1.00 0.15 H new ATOM 0 HE1 TYR A 13 5.799 3.797 -4.139 1.00 70.10 H new ATOM 0 HE2 TYR A 13 4.163 1.324 -1.088 1.00 2.44 H new ATOM 0 HH TYR A 13 3.595 3.238 -3.993 1.00 3.42 H new ATOM 190 N VAL A 14 8.963 2.781 1.354 1.00 3.34 N ATOM 191 CA VAL A 14 8.325 3.368 2.514 1.00 74.13 C ATOM 192 C VAL A 14 9.031 4.657 2.973 1.00 10.12 C ATOM 193 O VAL A 14 8.375 5.644 3.284 1.00 63.54 O ATOM 194 CB VAL A 14 8.200 2.361 3.693 1.00 32.13 C ATOM 195 CG1 VAL A 14 7.591 3.051 4.894 1.00 52.21 C ATOM 196 CG2 VAL A 14 7.329 1.180 3.285 1.00 71.21 C ATOM 0 H VAL A 14 9.363 1.857 1.520 1.00 3.34 H new ATOM 0 HA VAL A 14 7.316 3.634 2.200 1.00 74.13 H new ATOM 0 HB VAL A 14 9.194 1.996 3.951 1.00 32.13 H new ATOM 0 HG11 VAL A 14 7.506 2.341 5.717 1.00 52.21 H new ATOM 0 HG12 VAL A 14 8.227 3.883 5.197 1.00 52.21 H new ATOM 0 HG13 VAL A 14 6.601 3.427 4.635 1.00 52.21 H new ATOM 0 HG21 VAL A 14 7.249 0.482 4.118 1.00 71.21 H new ATOM 0 HG22 VAL A 14 6.335 1.537 3.014 1.00 71.21 H new ATOM 0 HG23 VAL A 14 7.778 0.675 2.430 1.00 71.21 H new ATOM 206 N ASN A 15 10.357 4.644 2.996 1.00 14.15 N ATOM 207 CA ASN A 15 11.173 5.783 3.376 1.00 73.24 C ATOM 208 C ASN A 15 10.838 7.003 2.513 1.00 22.13 C ATOM 209 O ASN A 15 10.802 8.147 3.000 1.00 1.31 O ATOM 210 CB ASN A 15 12.624 5.403 3.172 1.00 24.11 C ATOM 211 CG ASN A 15 13.616 6.300 3.862 1.00 33.02 C ATOM 212 OD1 ASN A 15 13.406 7.497 4.050 1.00 52.22 O ATOM 213 ND2 ASN A 15 14.698 5.729 4.240 1.00 52.33 N ATOM 0 H ASN A 15 10.905 3.821 2.745 1.00 14.15 H new ATOM 0 HA ASN A 15 10.980 6.042 4.417 1.00 73.24 H new ATOM 0 HB2 ASN A 15 12.771 4.383 3.526 1.00 24.11 H new ATOM 0 HB3 ASN A 15 12.838 5.403 2.103 1.00 24.11 H new ATOM 0 HD21 ASN A 15 15.421 6.270 4.715 1.00 52.33 H new ATOM 0 HD22 ASN A 15 14.837 4.733 4.067 1.00 52.33 H new ATOM 220 N LYS A 16 10.563 6.754 1.242 1.00 75.13 N ATOM 221 CA LYS A 16 10.214 7.789 0.327 1.00 12.44 C ATOM 222 C LYS A 16 8.877 8.408 0.748 1.00 52.40 C ATOM 223 O LYS A 16 8.725 9.628 0.752 1.00 3.23 O ATOM 224 CB LYS A 16 10.116 7.194 -1.047 1.00 24.12 C ATOM 225 CG LYS A 16 9.804 8.177 -2.133 1.00 10.12 C ATOM 226 CD LYS A 16 9.513 7.446 -3.409 1.00 55.23 C ATOM 227 CE LYS A 16 10.714 6.768 -4.005 1.00 23.54 C ATOM 228 NZ LYS A 16 10.388 6.165 -5.307 1.00 63.32 N ATOM 0 H LYS A 16 10.580 5.821 0.831 1.00 75.13 H new ATOM 0 HA LYS A 16 10.970 8.574 0.326 1.00 12.44 H new ATOM 0 HB2 LYS A 16 11.059 6.700 -1.282 1.00 24.12 H new ATOM 0 HB3 LYS A 16 9.345 6.423 -1.040 1.00 24.12 H new ATOM 0 HG2 LYS A 16 8.947 8.787 -1.849 1.00 10.12 H new ATOM 0 HG3 LYS A 16 10.645 8.855 -2.275 1.00 10.12 H new ATOM 0 HD2 LYS A 16 8.741 6.699 -3.222 1.00 55.23 H new ATOM 0 HD3 LYS A 16 9.106 8.149 -4.136 1.00 55.23 H new ATOM 0 HE2 LYS A 16 11.521 7.491 -4.127 1.00 23.54 H new ATOM 0 HE3 LYS A 16 11.076 5.998 -3.324 1.00 23.54 H new ATOM 0 HZ1 LYS A 16 11.203 5.618 -5.650 1.00 63.32 H new ATOM 0 HZ2 LYS A 16 9.567 5.535 -5.202 1.00 63.32 H new ATOM 0 HZ3 LYS A 16 10.163 6.916 -5.991 1.00 63.32 H new ATOM 242 N ILE A 17 7.933 7.553 1.147 1.00 70.44 N ATOM 243 CA ILE A 17 6.641 7.981 1.639 1.00 24.44 C ATOM 244 C ILE A 17 6.841 8.793 2.916 1.00 74.43 C ATOM 245 O ILE A 17 6.268 9.870 3.065 1.00 41.41 O ATOM 246 CB ILE A 17 5.741 6.771 1.982 1.00 50.54 C ATOM 247 CG1 ILE A 17 5.607 5.814 0.794 1.00 54.42 C ATOM 248 CG2 ILE A 17 4.374 7.252 2.432 1.00 23.21 C ATOM 249 CD1 ILE A 17 4.843 4.549 1.131 1.00 21.21 C ATOM 0 H ILE A 17 8.053 6.540 1.134 1.00 70.44 H new ATOM 0 HA ILE A 17 6.162 8.573 0.860 1.00 24.44 H new ATOM 0 HB ILE A 17 6.213 6.220 2.796 1.00 50.54 H new ATOM 0 HG12 ILE A 17 5.103 6.329 -0.024 1.00 54.42 H new ATOM 0 HG13 ILE A 17 6.602 5.546 0.437 1.00 54.42 H new ATOM 0 HG21 ILE A 17 3.747 6.393 2.671 1.00 23.21 H new ATOM 0 HG22 ILE A 17 4.482 7.880 3.316 1.00 23.21 H new ATOM 0 HG23 ILE A 17 3.910 7.829 1.632 1.00 23.21 H new ATOM 0 HD11 ILE A 17 4.783 3.914 0.247 1.00 21.21 H new ATOM 0 HD12 ILE A 17 5.359 4.014 1.928 1.00 21.21 H new ATOM 0 HD13 ILE A 17 3.837 4.808 1.460 1.00 21.21 H new ATOM 261 N LYS A 18 7.696 8.265 3.813 1.00 44.25 N ATOM 262 CA LYS A 18 8.019 8.909 5.095 1.00 3.44 C ATOM 263 C LYS A 18 8.460 10.337 4.866 1.00 71.00 C ATOM 264 O LYS A 18 8.076 11.199 5.569 1.00 32.21 O ATOM 265 CB LYS A 18 9.159 8.177 5.851 1.00 24.02 C ATOM 266 CG LYS A 18 8.901 6.755 6.222 1.00 63.32 C ATOM 267 CD LYS A 18 10.070 6.180 7.002 1.00 31.43 C ATOM 268 CE LYS A 18 9.910 4.696 7.149 1.00 20.14 C ATOM 269 NZ LYS A 18 10.953 4.082 7.991 1.00 62.31 N ATOM 0 H LYS A 18 8.181 7.380 3.666 1.00 44.25 H new ATOM 0 HA LYS A 18 7.112 8.870 5.698 1.00 3.44 H new ATOM 0 HB2 LYS A 18 10.056 8.212 5.233 1.00 24.02 H new ATOM 0 HB3 LYS A 18 9.378 8.734 6.762 1.00 24.02 H new ATOM 0 HG2 LYS A 18 7.992 6.690 6.820 1.00 63.32 H new ATOM 0 HG3 LYS A 18 8.733 6.164 5.321 1.00 63.32 H new ATOM 0 HD2 LYS A 18 11.005 6.404 6.489 1.00 31.43 H new ATOM 0 HD3 LYS A 18 10.126 6.647 7.985 1.00 31.43 H new ATOM 0 HE2 LYS A 18 8.932 4.483 7.580 1.00 20.14 H new ATOM 0 HE3 LYS A 18 9.931 4.235 6.162 1.00 20.14 H new ATOM 0 HZ1 LYS A 18 10.789 3.057 8.055 1.00 62.31 H new ATOM 0 HZ2 LYS A 18 11.887 4.257 7.569 1.00 62.31 H new ATOM 0 HZ3 LYS A 18 10.919 4.498 8.944 1.00 62.31 H new ATOM 283 N THR A 19 9.286 10.521 3.861 1.00 63.54 N ATOM 284 CA THR A 19 9.854 11.774 3.464 1.00 73.45 C ATOM 285 C THR A 19 8.828 12.696 2.745 1.00 25.50 C ATOM 286 O THR A 19 8.742 13.892 3.014 1.00 32.22 O ATOM 287 CB THR A 19 10.996 11.410 2.512 1.00 23.23 C ATOM 288 OG1 THR A 19 12.043 10.688 3.188 1.00 24.02 O ATOM 289 CG2 THR A 19 11.519 12.579 1.738 1.00 64.12 C ATOM 0 H THR A 19 9.593 9.749 3.269 1.00 63.54 H new ATOM 0 HA THR A 19 10.189 12.336 4.336 1.00 73.45 H new ATOM 0 HB THR A 19 10.568 10.739 1.768 1.00 23.23 H new ATOM 0 HG1 THR A 19 11.799 9.741 3.252 1.00 24.02 H new ATOM 0 HG21 THR A 19 12.326 12.250 1.083 1.00 64.12 H new ATOM 0 HG22 THR A 19 10.716 13.006 1.138 1.00 64.12 H new ATOM 0 HG23 THR A 19 11.896 13.333 2.429 1.00 64.12 H new ATOM 297 N ARG A 20 8.079 12.143 1.838 1.00 73.32 N ATOM 298 CA ARG A 20 7.165 12.925 1.032 1.00 50.13 C ATOM 299 C ARG A 20 5.945 13.356 1.782 1.00 1.55 C ATOM 300 O ARG A 20 5.264 14.308 1.406 1.00 11.42 O ATOM 301 CB ARG A 20 6.826 12.177 -0.237 1.00 32.13 C ATOM 302 CG ARG A 20 7.946 12.230 -1.278 1.00 74.21 C ATOM 303 CD ARG A 20 8.080 13.612 -1.953 1.00 51.14 C ATOM 304 NE ARG A 20 8.413 14.703 -1.011 1.00 32.23 N ATOM 305 CZ ARG A 20 9.647 15.178 -0.769 1.00 4.14 C ATOM 306 NH1 ARG A 20 10.704 14.719 -1.449 1.00 74.50 N ATOM 307 NH2 ARG A 20 9.811 16.134 0.133 1.00 44.32 N ATOM 0 H ARG A 20 8.077 11.144 1.630 1.00 73.32 H new ATOM 0 HA ARG A 20 7.672 13.851 0.761 1.00 50.13 H new ATOM 0 HB2 ARG A 20 6.613 11.136 0.007 1.00 32.13 H new ATOM 0 HB3 ARG A 20 5.917 12.596 -0.668 1.00 32.13 H new ATOM 0 HG2 ARG A 20 8.891 11.973 -0.800 1.00 74.21 H new ATOM 0 HG3 ARG A 20 7.760 11.475 -2.042 1.00 74.21 H new ATOM 0 HD2 ARG A 20 8.852 13.558 -2.721 1.00 51.14 H new ATOM 0 HD3 ARG A 20 7.144 13.852 -2.458 1.00 51.14 H new ATOM 0 HE ARG A 20 7.640 15.131 -0.502 1.00 32.23 H new ATOM 0 HH11 ARG A 20 10.579 14.000 -2.161 1.00 74.50 H new ATOM 0 HH12 ARG A 20 11.635 15.088 -1.255 1.00 74.50 H new ATOM 0 HH21 ARG A 20 9.005 16.503 0.637 1.00 44.32 H new ATOM 0 HH22 ARG A 20 10.743 16.501 0.324 1.00 44.32 H new ATOM 321 N PHE A 21 5.685 12.674 2.833 1.00 10.33 N ATOM 322 CA PHE A 21 4.578 12.945 3.677 1.00 3.31 C ATOM 323 C PHE A 21 5.129 13.051 5.084 1.00 14.44 C ATOM 324 O PHE A 21 4.480 12.717 6.067 1.00 54.34 O ATOM 325 CB PHE A 21 3.550 11.819 3.514 1.00 51.51 C ATOM 326 CG PHE A 21 3.090 11.661 2.073 1.00 21.44 C ATOM 327 CD1 PHE A 21 2.054 12.422 1.577 1.00 55.35 C ATOM 328 CD2 PHE A 21 3.711 10.760 1.216 1.00 40.43 C ATOM 329 CE1 PHE A 21 1.640 12.292 0.267 1.00 51.34 C ATOM 330 CE2 PHE A 21 3.305 10.625 -0.087 1.00 44.42 C ATOM 331 CZ PHE A 21 2.267 11.392 -0.568 1.00 63.23 C ATOM 0 H PHE A 21 6.253 11.886 3.142 1.00 10.33 H new ATOM 0 HA PHE A 21 4.064 13.874 3.430 1.00 3.31 H new ATOM 0 HB2 PHE A 21 3.984 10.881 3.859 1.00 51.51 H new ATOM 0 HB3 PHE A 21 2.687 12.023 4.148 1.00 51.51 H new ATOM 0 HD1 PHE A 21 1.558 13.131 2.223 1.00 55.35 H new ATOM 0 HD2 PHE A 21 4.528 10.156 1.583 1.00 40.43 H new ATOM 0 HE1 PHE A 21 0.825 12.895 -0.104 1.00 51.34 H new ATOM 0 HE2 PHE A 21 3.799 9.917 -0.736 1.00 44.42 H new ATOM 0 HZ PHE A 21 1.946 11.289 -1.594 1.00 63.23 H new ATOM 341 N LEU A 22 6.331 13.604 5.142 1.00 45.23 N ATOM 342 CA LEU A 22 7.122 13.741 6.353 1.00 4.04 C ATOM 343 C LEU A 22 6.417 14.635 7.352 1.00 63.23 C ATOM 344 O LEU A 22 6.381 14.346 8.553 1.00 70.11 O ATOM 345 CB LEU A 22 8.522 14.302 5.981 1.00 53.25 C ATOM 346 CG LEU A 22 9.746 13.617 6.552 1.00 11.11 C ATOM 347 CD1 LEU A 22 11.012 14.356 6.163 1.00 43.22 C ATOM 348 CD2 LEU A 22 9.639 13.491 8.014 1.00 13.12 C ATOM 0 H LEU A 22 6.798 13.983 4.318 1.00 45.23 H new ATOM 0 HA LEU A 22 7.246 12.766 6.824 1.00 4.04 H new ATOM 0 HB2 LEU A 22 8.609 14.286 4.895 1.00 53.25 H new ATOM 0 HB3 LEU A 22 8.553 15.348 6.287 1.00 53.25 H new ATOM 0 HG LEU A 22 9.800 12.614 6.129 1.00 11.11 H new ATOM 0 HD11 LEU A 22 11.877 13.844 6.585 1.00 43.22 H new ATOM 0 HD12 LEU A 22 11.100 14.381 5.077 1.00 43.22 H new ATOM 0 HD13 LEU A 22 10.971 15.375 6.547 1.00 43.22 H new ATOM 0 HD21 LEU A 22 10.529 12.996 8.403 1.00 13.12 H new ATOM 0 HD22 LEU A 22 9.551 14.482 8.459 1.00 13.12 H new ATOM 0 HD23 LEU A 22 8.757 12.901 8.265 1.00 13.12 H new ATOM 360 N ASP A 23 5.818 15.684 6.859 1.00 21.11 N ATOM 361 CA ASP A 23 5.106 16.616 7.711 1.00 52.52 C ATOM 362 C ASP A 23 3.621 16.259 7.729 1.00 20.04 C ATOM 363 O ASP A 23 2.797 16.933 8.338 1.00 12.11 O ATOM 364 CB ASP A 23 5.330 18.062 7.222 1.00 30.24 C ATOM 365 CG ASP A 23 4.717 19.109 8.128 1.00 61.12 C ATOM 366 OD1 ASP A 23 5.140 19.223 9.296 1.00 33.25 O ATOM 367 OD2 ASP A 23 3.818 19.860 7.690 1.00 25.43 O ATOM 0 H ASP A 23 5.805 15.922 5.867 1.00 21.11 H new ATOM 0 HA ASP A 23 5.489 16.547 8.729 1.00 52.52 H new ATOM 0 HB2 ASP A 23 6.401 18.247 7.139 1.00 30.24 H new ATOM 0 HB3 ASP A 23 4.910 18.168 6.222 1.00 30.24 H new ATOM 372 N HIS A 24 3.286 15.158 7.097 1.00 72.25 N ATOM 373 CA HIS A 24 1.913 14.742 6.986 1.00 20.35 C ATOM 374 C HIS A 24 1.754 13.306 7.496 1.00 10.44 C ATOM 375 O HIS A 24 1.556 12.375 6.697 1.00 3.31 O ATOM 376 CB HIS A 24 1.472 14.807 5.526 1.00 50.44 C ATOM 377 CG HIS A 24 1.678 16.132 4.859 1.00 71.23 C ATOM 378 ND1 HIS A 24 2.742 16.418 4.023 1.00 1.55 N ATOM 379 CD2 HIS A 24 0.935 17.254 4.912 1.00 14.15 C ATOM 380 CE1 HIS A 24 2.614 17.670 3.609 1.00 12.31 C ATOM 381 NE2 HIS A 24 1.531 18.229 4.119 1.00 5.34 N ATOM 0 H HIS A 24 3.955 14.531 6.649 1.00 72.25 H new ATOM 0 HA HIS A 24 1.295 15.409 7.587 1.00 20.35 H new ATOM 0 HB2 HIS A 24 2.015 14.047 4.964 1.00 50.44 H new ATOM 0 HB3 HIS A 24 0.414 14.550 5.470 1.00 50.44 H new ATOM 0 HD2 HIS A 24 0.024 17.377 5.479 1.00 14.15 H new ATOM 0 HE1 HIS A 24 3.303 18.168 2.943 1.00 12.31 H new ATOM 0 HE2 HIS A 24 1.200 19.181 3.963 1.00 5.34 H new ATOM 389 N PRO A 25 1.830 13.086 8.831 1.00 12.54 N ATOM 390 CA PRO A 25 1.761 11.740 9.404 1.00 24.12 C ATOM 391 C PRO A 25 0.411 11.081 9.142 1.00 3.12 C ATOM 392 O PRO A 25 0.322 9.871 9.007 1.00 55.11 O ATOM 393 CB PRO A 25 1.979 11.962 10.911 1.00 14.22 C ATOM 394 CG PRO A 25 2.556 13.334 11.022 1.00 75.41 C ATOM 395 CD PRO A 25 1.980 14.112 9.881 1.00 44.11 C ATOM 0 HA PRO A 25 2.499 11.071 8.963 1.00 24.12 H new ATOM 0 HB2 PRO A 25 1.041 11.883 11.461 1.00 14.22 H new ATOM 0 HB3 PRO A 25 2.656 11.215 11.326 1.00 14.22 H new ATOM 0 HG2 PRO A 25 2.297 13.791 11.977 1.00 75.41 H new ATOM 0 HG3 PRO A 25 3.644 13.306 10.967 1.00 75.41 H new ATOM 0 HD2 PRO A 25 1.024 14.566 10.142 1.00 44.11 H new ATOM 0 HD3 PRO A 25 2.641 14.919 9.567 1.00 44.11 H new ATOM 403 N GLU A 26 -0.618 11.901 9.013 1.00 1.32 N ATOM 404 CA GLU A 26 -1.971 11.446 8.761 1.00 11.44 C ATOM 405 C GLU A 26 -2.077 10.686 7.428 1.00 51.21 C ATOM 406 O GLU A 26 -2.747 9.676 7.348 1.00 51.11 O ATOM 407 CB GLU A 26 -2.912 12.643 8.794 1.00 23.34 C ATOM 408 CG GLU A 26 -2.595 13.685 7.745 1.00 31.21 C ATOM 409 CD GLU A 26 -3.365 14.957 7.925 1.00 10.12 C ATOM 410 OE1 GLU A 26 -2.931 15.807 8.724 1.00 23.35 O ATOM 411 OE2 GLU A 26 -4.402 15.141 7.281 1.00 23.45 O ATOM 0 H GLU A 26 -0.534 12.915 9.082 1.00 1.32 H new ATOM 0 HA GLU A 26 -2.258 10.741 9.542 1.00 11.44 H new ATOM 0 HB2 GLU A 26 -3.935 12.295 8.653 1.00 23.34 H new ATOM 0 HB3 GLU A 26 -2.866 13.105 9.780 1.00 23.34 H new ATOM 0 HG2 GLU A 26 -1.528 13.907 7.773 1.00 31.21 H new ATOM 0 HG3 GLU A 26 -2.809 13.275 6.758 1.00 31.21 H new ATOM 418 N ILE A 27 -1.345 11.145 6.419 1.00 1.21 N ATOM 419 CA ILE A 27 -1.372 10.531 5.100 1.00 75.21 C ATOM 420 C ILE A 27 -0.658 9.204 5.160 1.00 73.43 C ATOM 421 O ILE A 27 -1.153 8.188 4.678 1.00 72.14 O ATOM 422 CB ILE A 27 -0.702 11.449 4.073 1.00 73.22 C ATOM 423 CG1 ILE A 27 -1.390 12.813 4.119 1.00 44.30 C ATOM 424 CG2 ILE A 27 -0.785 10.838 2.663 1.00 53.52 C ATOM 425 CD1 ILE A 27 -0.807 13.813 3.182 1.00 1.41 C ATOM 0 H ILE A 27 -0.720 11.948 6.493 1.00 1.21 H new ATOM 0 HA ILE A 27 -2.406 10.374 4.793 1.00 75.21 H new ATOM 0 HB ILE A 27 0.354 11.566 4.315 1.00 73.22 H new ATOM 0 HG12 ILE A 27 -2.447 12.684 3.886 1.00 44.30 H new ATOM 0 HG13 ILE A 27 -1.333 13.204 5.135 1.00 44.30 H new ATOM 0 HG21 ILE A 27 -0.303 11.505 1.948 1.00 53.52 H new ATOM 0 HG22 ILE A 27 -0.280 9.872 2.655 1.00 53.52 H new ATOM 0 HG23 ILE A 27 -1.831 10.703 2.386 1.00 53.52 H new ATOM 0 HD11 ILE A 27 -1.348 14.755 3.272 1.00 1.41 H new ATOM 0 HD12 ILE A 27 0.243 13.973 3.427 1.00 1.41 H new ATOM 0 HD13 ILE A 27 -0.889 13.444 2.159 1.00 1.41 H new ATOM 437 N TYR A 28 0.478 9.218 5.830 1.00 52.12 N ATOM 438 CA TYR A 28 1.295 8.033 6.049 1.00 54.41 C ATOM 439 C TYR A 28 0.445 6.961 6.737 1.00 33.30 C ATOM 440 O TYR A 28 0.366 5.810 6.294 1.00 41.04 O ATOM 441 CB TYR A 28 2.446 8.415 6.975 1.00 33.13 C ATOM 442 CG TYR A 28 3.529 7.380 7.116 1.00 1.01 C ATOM 443 CD1 TYR A 28 4.546 7.279 6.178 1.00 11.33 C ATOM 444 CD2 TYR A 28 3.542 6.508 8.189 1.00 21.44 C ATOM 445 CE1 TYR A 28 5.537 6.343 6.311 1.00 61.54 C ATOM 446 CE2 TYR A 28 4.532 5.569 8.326 1.00 22.22 C ATOM 447 CZ TYR A 28 5.527 5.491 7.391 1.00 42.41 C ATOM 448 OH TYR A 28 6.524 4.565 7.541 1.00 21.24 O ATOM 0 H TYR A 28 0.868 10.064 6.245 1.00 52.12 H new ATOM 0 HA TYR A 28 1.674 7.652 5.101 1.00 54.41 H new ATOM 0 HB2 TYR A 28 2.894 9.338 6.608 1.00 33.13 H new ATOM 0 HB3 TYR A 28 2.040 8.629 7.964 1.00 33.13 H new ATOM 0 HD1 TYR A 28 4.556 7.948 5.330 1.00 11.33 H new ATOM 0 HD2 TYR A 28 2.760 6.567 8.931 1.00 21.44 H new ATOM 0 HE1 TYR A 28 6.322 6.274 5.572 1.00 61.54 H new ATOM 0 HE2 TYR A 28 4.526 4.894 9.169 1.00 22.22 H new ATOM 0 HH TYR A 28 6.367 4.044 8.356 1.00 21.24 H new ATOM 458 N ARG A 29 -0.224 7.381 7.791 1.00 61.54 N ATOM 459 CA ARG A 29 -1.053 6.516 8.590 1.00 2.24 C ATOM 460 C ARG A 29 -2.296 6.055 7.851 1.00 13.42 C ATOM 461 O ARG A 29 -2.744 4.925 8.040 1.00 2.40 O ATOM 462 CB ARG A 29 -1.421 7.204 9.878 1.00 33.14 C ATOM 463 CG ARG A 29 -0.263 7.323 10.822 1.00 61.21 C ATOM 464 CD ARG A 29 -0.509 8.393 11.832 1.00 30.22 C ATOM 465 NE ARG A 29 0.570 8.455 12.822 1.00 32.00 N ATOM 466 CZ ARG A 29 0.859 9.504 13.599 1.00 51.24 C ATOM 467 NH1 ARG A 29 0.115 10.605 13.555 1.00 72.35 N ATOM 468 NH2 ARG A 29 1.885 9.441 14.435 1.00 74.41 N ATOM 0 H ARG A 29 -0.204 8.347 8.117 1.00 61.54 H new ATOM 0 HA ARG A 29 -0.473 5.620 8.812 1.00 2.24 H new ATOM 0 HB2 ARG A 29 -1.807 8.199 9.656 1.00 33.14 H new ATOM 0 HB3 ARG A 29 -2.225 6.651 10.364 1.00 33.14 H new ATOM 0 HG2 ARG A 29 -0.101 6.371 11.327 1.00 61.21 H new ATOM 0 HG3 ARG A 29 0.646 7.546 10.263 1.00 61.21 H new ATOM 0 HD2 ARG A 29 -0.599 9.356 11.329 1.00 30.22 H new ATOM 0 HD3 ARG A 29 -1.457 8.207 12.337 1.00 30.22 H new ATOM 0 HE ARG A 29 1.152 7.624 12.928 1.00 32.00 H new ATOM 0 HH11 ARG A 29 -0.685 10.655 12.924 1.00 72.35 H new ATOM 0 HH12 ARG A 29 0.344 11.400 14.152 1.00 72.35 H new ATOM 0 HH21 ARG A 29 2.451 8.594 14.484 1.00 74.41 H new ATOM 0 HH22 ARG A 29 2.108 10.239 15.029 1.00 74.41 H new ATOM 482 N SER A 30 -2.866 6.913 7.025 1.00 52.21 N ATOM 483 CA SER A 30 -4.013 6.531 6.247 1.00 40.23 C ATOM 484 C SER A 30 -3.663 5.531 5.189 1.00 52.33 C ATOM 485 O SER A 30 -4.474 4.714 4.817 1.00 12.42 O ATOM 486 CB SER A 30 -4.781 7.724 5.706 1.00 4.03 C ATOM 487 OG SER A 30 -5.478 8.355 6.772 1.00 54.31 O ATOM 0 H SER A 30 -2.550 7.872 6.881 1.00 52.21 H new ATOM 0 HA SER A 30 -4.700 6.030 6.929 1.00 40.23 H new ATOM 0 HB2 SER A 30 -4.096 8.430 5.236 1.00 4.03 H new ATOM 0 HB3 SER A 30 -5.483 7.401 4.937 1.00 4.03 H new ATOM 0 HG SER A 30 -5.964 7.680 7.290 1.00 54.31 H new ATOM 493 N PHE A 31 -2.463 5.579 4.709 1.00 24.51 N ATOM 494 CA PHE A 31 -2.037 4.582 3.791 1.00 41.13 C ATOM 495 C PHE A 31 -1.906 3.246 4.495 1.00 50.04 C ATOM 496 O PHE A 31 -2.419 2.221 4.025 1.00 2.30 O ATOM 497 CB PHE A 31 -0.731 4.942 3.141 1.00 1.40 C ATOM 498 CG PHE A 31 -0.211 3.797 2.372 1.00 20.34 C ATOM 499 CD1 PHE A 31 -0.911 3.345 1.272 1.00 15.14 C ATOM 500 CD2 PHE A 31 0.907 3.119 2.790 1.00 63.43 C ATOM 501 CE1 PHE A 31 -0.506 2.244 0.586 1.00 43.32 C ATOM 502 CE2 PHE A 31 1.337 2.000 2.117 1.00 21.21 C ATOM 503 CZ PHE A 31 0.628 1.554 1.004 1.00 54.20 C ATOM 0 H PHE A 31 -1.769 6.291 4.936 1.00 24.51 H new ATOM 0 HA PHE A 31 -2.793 4.513 3.009 1.00 41.13 H new ATOM 0 HB2 PHE A 31 -0.869 5.799 2.482 1.00 1.40 H new ATOM 0 HB3 PHE A 31 -0.008 5.237 3.901 1.00 1.40 H new ATOM 0 HD1 PHE A 31 -1.795 3.875 0.951 1.00 15.14 H new ATOM 0 HD2 PHE A 31 1.453 3.467 3.654 1.00 63.43 H new ATOM 0 HE1 PHE A 31 -1.060 1.907 -0.277 1.00 43.32 H new ATOM 0 HE2 PHE A 31 2.218 1.471 2.449 1.00 21.21 H new ATOM 0 HZ PHE A 31 0.957 0.676 0.468 1.00 54.20 H new ATOM 513 N LEU A 32 -1.211 3.268 5.608 1.00 51.22 N ATOM 514 CA LEU A 32 -1.000 2.106 6.420 1.00 11.12 C ATOM 515 C LEU A 32 -2.316 1.466 6.807 1.00 14.42 C ATOM 516 O LEU A 32 -2.439 0.245 6.802 1.00 55.13 O ATOM 517 CB LEU A 32 -0.199 2.491 7.652 1.00 72.24 C ATOM 518 CG LEU A 32 1.236 2.945 7.396 1.00 12.33 C ATOM 519 CD1 LEU A 32 1.903 3.273 8.703 1.00 2.34 C ATOM 520 CD2 LEU A 32 2.033 1.889 6.624 1.00 74.02 C ATOM 0 H LEU A 32 -0.771 4.112 5.976 1.00 51.22 H new ATOM 0 HA LEU A 32 -0.438 1.369 5.846 1.00 11.12 H new ATOM 0 HB2 LEU A 32 -0.727 3.292 8.170 1.00 72.24 H new ATOM 0 HB3 LEU A 32 -0.175 1.636 8.328 1.00 72.24 H new ATOM 0 HG LEU A 32 1.208 3.840 6.775 1.00 12.33 H new ATOM 0 HD11 LEU A 32 2.927 3.597 8.518 1.00 2.34 H new ATOM 0 HD12 LEU A 32 1.354 4.072 9.201 1.00 2.34 H new ATOM 0 HD13 LEU A 32 1.912 2.388 9.339 1.00 2.34 H new ATOM 0 HD21 LEU A 32 3.049 2.248 6.461 1.00 74.02 H new ATOM 0 HD22 LEU A 32 2.063 0.963 7.199 1.00 74.02 H new ATOM 0 HD23 LEU A 32 1.555 1.703 5.662 1.00 74.02 H new ATOM 532 N GLU A 33 -3.313 2.293 7.066 1.00 74.25 N ATOM 533 CA GLU A 33 -4.608 1.812 7.457 1.00 20.01 C ATOM 534 C GLU A 33 -5.283 1.057 6.291 1.00 73.23 C ATOM 535 O GLU A 33 -5.978 0.066 6.505 1.00 24.11 O ATOM 536 CB GLU A 33 -5.472 2.962 8.009 1.00 51.12 C ATOM 537 CG GLU A 33 -6.258 3.800 6.994 1.00 33.43 C ATOM 538 CD GLU A 33 -7.059 4.894 7.673 1.00 12.34 C ATOM 539 OE1 GLU A 33 -8.230 4.639 8.040 1.00 51.22 O ATOM 540 OE2 GLU A 33 -6.532 6.016 7.892 1.00 70.50 O ATOM 0 H GLU A 33 -3.240 3.309 7.009 1.00 74.25 H new ATOM 0 HA GLU A 33 -4.492 1.093 8.268 1.00 20.01 H new ATOM 0 HB2 GLU A 33 -6.182 2.539 8.720 1.00 51.12 H new ATOM 0 HB3 GLU A 33 -4.822 3.634 8.570 1.00 51.12 H new ATOM 0 HG2 GLU A 33 -5.568 4.245 6.277 1.00 33.43 H new ATOM 0 HG3 GLU A 33 -6.930 3.153 6.430 1.00 33.43 H new ATOM 547 N ILE A 34 -5.013 1.497 5.062 1.00 13.53 N ATOM 548 CA ILE A 34 -5.521 0.873 3.865 1.00 4.24 C ATOM 549 C ILE A 34 -4.833 -0.462 3.660 1.00 3.40 C ATOM 550 O ILE A 34 -5.469 -1.447 3.315 1.00 71.35 O ATOM 551 CB ILE A 34 -5.260 1.790 2.639 1.00 72.15 C ATOM 552 CG1 ILE A 34 -6.038 3.088 2.796 1.00 62.40 C ATOM 553 CG2 ILE A 34 -5.610 1.090 1.328 1.00 13.44 C ATOM 554 CD1 ILE A 34 -5.643 4.158 1.821 1.00 75.22 C ATOM 0 H ILE A 34 -4.425 2.310 4.880 1.00 13.53 H new ATOM 0 HA ILE A 34 -6.595 0.716 3.969 1.00 4.24 H new ATOM 0 HB ILE A 34 -4.195 2.019 2.599 1.00 72.15 H new ATOM 0 HG12 ILE A 34 -7.101 2.879 2.679 1.00 62.40 H new ATOM 0 HG13 ILE A 34 -5.897 3.464 3.809 1.00 62.40 H new ATOM 0 HG21 ILE A 34 -5.414 1.763 0.493 1.00 13.44 H new ATOM 0 HG22 ILE A 34 -5.001 0.192 1.221 1.00 13.44 H new ATOM 0 HG23 ILE A 34 -6.665 0.815 1.333 1.00 13.44 H new ATOM 0 HD11 ILE A 34 -6.243 5.051 1.998 1.00 75.22 H new ATOM 0 HD12 ILE A 34 -4.588 4.398 1.952 1.00 75.22 H new ATOM 0 HD13 ILE A 34 -5.811 3.804 0.804 1.00 75.22 H new ATOM 566 N LEU A 35 -3.542 -0.491 3.907 1.00 25.24 N ATOM 567 CA LEU A 35 -2.764 -1.681 3.742 1.00 63.24 C ATOM 568 C LEU A 35 -3.196 -2.727 4.787 1.00 42.14 C ATOM 569 O LEU A 35 -3.362 -3.902 4.463 1.00 12.12 O ATOM 570 CB LEU A 35 -1.295 -1.319 3.884 1.00 33.32 C ATOM 571 CG LEU A 35 -0.276 -2.126 3.060 1.00 61.43 C ATOM 572 CD1 LEU A 35 -0.228 -3.595 3.462 1.00 61.15 C ATOM 573 CD2 LEU A 35 -0.550 -1.987 1.561 1.00 2.35 C ATOM 0 H LEU A 35 -3.008 0.317 4.228 1.00 25.24 H new ATOM 0 HA LEU A 35 -2.923 -2.116 2.755 1.00 63.24 H new ATOM 0 HB2 LEU A 35 -1.182 -0.267 3.620 1.00 33.32 H new ATOM 0 HB3 LEU A 35 -1.026 -1.415 4.936 1.00 33.32 H new ATOM 0 HG LEU A 35 0.705 -1.703 3.279 1.00 61.43 H new ATOM 0 HD11 LEU A 35 0.507 -4.116 2.849 1.00 61.15 H new ATOM 0 HD12 LEU A 35 0.053 -3.676 4.512 1.00 61.15 H new ATOM 0 HD13 LEU A 35 -1.209 -4.045 3.313 1.00 61.15 H new ATOM 0 HD21 LEU A 35 0.184 -2.567 1.002 1.00 2.35 H new ATOM 0 HD22 LEU A 35 -1.551 -2.357 1.338 1.00 2.35 H new ATOM 0 HD23 LEU A 35 -0.479 -0.938 1.274 1.00 2.35 H new ATOM 585 N HIS A 36 -3.405 -2.279 6.029 1.00 52.11 N ATOM 586 CA HIS A 36 -3.908 -3.150 7.101 1.00 60.13 C ATOM 587 C HIS A 36 -5.264 -3.721 6.701 1.00 62.44 C ATOM 588 O HIS A 36 -5.535 -4.901 6.881 1.00 64.24 O ATOM 589 CB HIS A 36 -4.029 -2.386 8.435 1.00 74.50 C ATOM 590 CG HIS A 36 -2.718 -1.956 9.034 1.00 73.32 C ATOM 591 ND1 HIS A 36 -2.524 -0.759 9.695 1.00 12.41 N ATOM 592 CD2 HIS A 36 -1.528 -2.598 9.078 1.00 41.54 C ATOM 593 CE1 HIS A 36 -1.258 -0.710 10.104 1.00 1.01 C ATOM 594 NE2 HIS A 36 -0.603 -1.807 9.756 1.00 43.34 N ATOM 0 H HIS A 36 -3.234 -1.316 6.319 1.00 52.11 H new ATOM 0 HA HIS A 36 -3.196 -3.962 7.245 1.00 60.13 H new ATOM 0 HB2 HIS A 36 -4.648 -1.503 8.277 1.00 74.50 H new ATOM 0 HB3 HIS A 36 -4.552 -3.017 9.154 1.00 74.50 H new ATOM 0 HD2 HIS A 36 -1.327 -3.571 8.654 1.00 41.54 H new ATOM 0 HE1 HIS A 36 -0.823 0.115 10.648 1.00 1.01 H new ATOM 0 HE2 HIS A 36 0.375 -2.027 9.945 1.00 43.34 H new ATOM 602 N THR A 37 -6.086 -2.860 6.147 1.00 12.11 N ATOM 603 CA THR A 37 -7.378 -3.209 5.589 1.00 74.12 C ATOM 604 C THR A 37 -7.239 -4.279 4.488 1.00 4.12 C ATOM 605 O THR A 37 -7.928 -5.304 4.502 1.00 15.33 O ATOM 606 CB THR A 37 -7.999 -1.918 5.007 1.00 14.31 C ATOM 607 OG1 THR A 37 -8.464 -1.061 6.052 1.00 53.21 O ATOM 608 CG2 THR A 37 -9.079 -2.164 3.978 1.00 24.34 C ATOM 0 H THR A 37 -5.870 -1.866 6.068 1.00 12.11 H new ATOM 0 HA THR A 37 -8.016 -3.629 6.366 1.00 74.12 H new ATOM 0 HB THR A 37 -7.195 -1.416 4.469 1.00 14.31 H new ATOM 0 HG1 THR A 37 -7.716 -0.529 6.395 1.00 53.21 H new ATOM 0 HG21 THR A 37 -9.463 -1.209 3.619 1.00 24.34 H new ATOM 0 HG22 THR A 37 -8.663 -2.726 3.141 1.00 24.34 H new ATOM 0 HG23 THR A 37 -9.890 -2.734 4.431 1.00 24.34 H new ATOM 616 N TYR A 38 -6.314 -4.040 3.592 1.00 42.42 N ATOM 617 CA TYR A 38 -6.065 -4.862 2.430 1.00 3.43 C ATOM 618 C TYR A 38 -5.677 -6.293 2.818 1.00 13.42 C ATOM 619 O TYR A 38 -6.004 -7.244 2.117 1.00 2.21 O ATOM 620 CB TYR A 38 -4.985 -4.189 1.583 1.00 21.34 C ATOM 621 CG TYR A 38 -4.765 -4.794 0.246 1.00 3.10 C ATOM 622 CD1 TYR A 38 -5.586 -4.445 -0.784 1.00 0.12 C ATOM 623 CD2 TYR A 38 -3.740 -5.700 0.007 1.00 31.13 C ATOM 624 CE1 TYR A 38 -5.412 -4.977 -2.054 1.00 71.30 C ATOM 625 CE2 TYR A 38 -3.550 -6.241 -1.250 1.00 32.41 C ATOM 626 CZ TYR A 38 -4.390 -5.874 -2.279 1.00 34.21 C ATOM 627 OH TYR A 38 -4.212 -6.412 -3.538 1.00 42.51 O ATOM 0 H TYR A 38 -5.689 -3.237 3.653 1.00 42.42 H new ATOM 0 HA TYR A 38 -6.980 -4.950 1.845 1.00 3.43 H new ATOM 0 HB2 TYR A 38 -5.250 -3.140 1.451 1.00 21.34 H new ATOM 0 HB3 TYR A 38 -4.045 -4.213 2.135 1.00 21.34 H new ATOM 0 HD1 TYR A 38 -6.387 -3.742 -0.609 1.00 0.12 H new ATOM 0 HD2 TYR A 38 -3.082 -5.986 0.815 1.00 31.13 H new ATOM 0 HE1 TYR A 38 -6.072 -4.690 -2.859 1.00 71.30 H new ATOM 0 HE2 TYR A 38 -2.750 -6.945 -1.425 1.00 32.41 H new ATOM 0 HH TYR A 38 -3.448 -7.025 -3.527 1.00 42.51 H new ATOM 637 N GLN A 39 -5.019 -6.437 3.957 1.00 53.35 N ATOM 638 CA GLN A 39 -4.604 -7.746 4.461 1.00 62.42 C ATOM 639 C GLN A 39 -5.783 -8.677 4.739 1.00 41.14 C ATOM 640 O GLN A 39 -5.636 -9.901 4.725 1.00 23.32 O ATOM 641 CB GLN A 39 -3.702 -7.620 5.680 1.00 75.14 C ATOM 642 CG GLN A 39 -2.358 -6.999 5.359 1.00 51.12 C ATOM 643 CD GLN A 39 -1.618 -7.761 4.266 1.00 22.43 C ATOM 644 OE1 GLN A 39 -1.753 -8.980 4.125 1.00 54.14 O ATOM 645 NE2 GLN A 39 -0.872 -7.047 3.474 1.00 13.52 N ATOM 0 H GLN A 39 -4.756 -5.657 4.559 1.00 53.35 H new ATOM 0 HA GLN A 39 -4.025 -8.207 3.661 1.00 62.42 H new ATOM 0 HB2 GLN A 39 -4.204 -7.016 6.436 1.00 75.14 H new ATOM 0 HB3 GLN A 39 -3.546 -8.608 6.113 1.00 75.14 H new ATOM 0 HG2 GLN A 39 -2.503 -5.965 5.045 1.00 51.12 H new ATOM 0 HG3 GLN A 39 -1.746 -6.975 6.261 1.00 51.12 H new ATOM 0 HE21 GLN A 39 -0.786 -6.042 3.623 1.00 13.52 H new ATOM 0 HE22 GLN A 39 -0.373 -7.493 2.704 1.00 13.52 H new ATOM 654 N LYS A 40 -6.948 -8.106 4.968 1.00 3.24 N ATOM 655 CA LYS A 40 -8.149 -8.891 5.170 1.00 53.44 C ATOM 656 C LYS A 40 -8.584 -9.580 3.887 1.00 11.23 C ATOM 657 O LYS A 40 -9.106 -10.683 3.910 1.00 13.53 O ATOM 658 CB LYS A 40 -9.286 -8.066 5.746 1.00 71.43 C ATOM 659 CG LYS A 40 -9.138 -7.788 7.230 1.00 5.32 C ATOM 660 CD LYS A 40 -8.042 -6.791 7.546 1.00 42.40 C ATOM 661 CE LYS A 40 -7.900 -6.571 9.040 1.00 3.31 C ATOM 662 NZ LYS A 40 -6.807 -5.641 9.348 1.00 71.40 N ATOM 0 H LYS A 40 -7.089 -7.097 5.019 1.00 3.24 H new ATOM 0 HA LYS A 40 -7.899 -9.658 5.903 1.00 53.44 H new ATOM 0 HB2 LYS A 40 -9.345 -7.118 5.211 1.00 71.43 H new ATOM 0 HB3 LYS A 40 -10.227 -8.588 5.574 1.00 71.43 H new ATOM 0 HG2 LYS A 40 -10.085 -7.412 7.618 1.00 5.32 H new ATOM 0 HG3 LYS A 40 -8.929 -8.724 7.749 1.00 5.32 H new ATOM 0 HD2 LYS A 40 -7.096 -7.148 7.139 1.00 42.40 H new ATOM 0 HD3 LYS A 40 -8.261 -5.842 7.057 1.00 42.40 H new ATOM 0 HE2 LYS A 40 -8.835 -6.180 9.441 1.00 3.31 H new ATOM 0 HE3 LYS A 40 -7.716 -7.526 9.533 1.00 3.31 H new ATOM 0 HZ1 LYS A 40 -6.127 -6.103 9.985 1.00 71.40 H new ATOM 0 HZ2 LYS A 40 -6.326 -5.367 8.468 1.00 71.40 H new ATOM 0 HZ3 LYS A 40 -7.193 -4.793 9.810 1.00 71.40 H new ATOM 676 N GLU A 41 -8.282 -8.947 2.766 1.00 61.53 N ATOM 677 CA GLU A 41 -8.624 -9.461 1.444 1.00 3.04 C ATOM 678 C GLU A 41 -7.632 -10.583 1.092 1.00 62.32 C ATOM 679 O GLU A 41 -7.899 -11.435 0.266 1.00 44.33 O ATOM 680 CB GLU A 41 -8.559 -8.275 0.435 1.00 11.25 C ATOM 681 CG GLU A 41 -9.205 -8.464 -0.956 1.00 12.42 C ATOM 682 CD GLU A 41 -8.458 -9.369 -1.913 1.00 70.04 C ATOM 683 OE1 GLU A 41 -7.306 -9.052 -2.270 1.00 72.25 O ATOM 684 OE2 GLU A 41 -9.049 -10.363 -2.393 1.00 65.23 O ATOM 0 H GLU A 41 -7.789 -8.055 2.744 1.00 61.53 H new ATOM 0 HA GLU A 41 -9.630 -9.880 1.411 1.00 3.04 H new ATOM 0 HB2 GLU A 41 -9.029 -7.411 0.906 1.00 11.25 H new ATOM 0 HB3 GLU A 41 -7.509 -8.024 0.283 1.00 11.25 H new ATOM 0 HG2 GLU A 41 -10.210 -8.863 -0.818 1.00 12.42 H new ATOM 0 HG3 GLU A 41 -9.313 -7.484 -1.422 1.00 12.42 H new ATOM 691 N GLN A 42 -6.520 -10.604 1.797 1.00 64.30 N ATOM 692 CA GLN A 42 -5.471 -11.574 1.551 1.00 4.34 C ATOM 693 C GLN A 42 -5.755 -12.921 2.241 1.00 30.42 C ATOM 694 O GLN A 42 -5.100 -13.922 1.938 1.00 25.23 O ATOM 695 CB GLN A 42 -4.122 -11.013 1.985 1.00 52.25 C ATOM 696 CG GLN A 42 -3.757 -9.685 1.316 1.00 2.22 C ATOM 697 CD GLN A 42 -3.633 -9.787 -0.194 1.00 5.25 C ATOM 698 OE1 GLN A 42 -2.560 -10.039 -0.724 1.00 45.13 O ATOM 699 NE2 GLN A 42 -4.715 -9.587 -0.891 1.00 21.44 N ATOM 0 H GLN A 42 -6.317 -9.952 2.555 1.00 64.30 H new ATOM 0 HA GLN A 42 -5.444 -11.767 0.479 1.00 4.34 H new ATOM 0 HB2 GLN A 42 -4.128 -10.874 3.066 1.00 52.25 H new ATOM 0 HB3 GLN A 42 -3.346 -11.746 1.762 1.00 52.25 H new ATOM 0 HG2 GLN A 42 -4.515 -8.942 1.562 1.00 2.22 H new ATOM 0 HG3 GLN A 42 -2.814 -9.326 1.728 1.00 2.22 H new ATOM 0 HE21 GLN A 42 -5.595 -9.379 -0.419 1.00 21.44 H new ATOM 0 HE22 GLN A 42 -4.683 -9.639 -1.909 1.00 21.44 H new ATOM 708 N LEU A 43 -6.731 -12.934 3.169 1.00 43.51 N ATOM 709 CA LEU A 43 -7.165 -14.165 3.882 1.00 65.50 C ATOM 710 C LEU A 43 -6.029 -14.844 4.670 1.00 22.22 C ATOM 711 O LEU A 43 -4.984 -14.237 4.932 1.00 63.41 O ATOM 712 CB LEU A 43 -7.814 -15.186 2.897 1.00 12.21 C ATOM 713 CG LEU A 43 -9.281 -15.008 2.505 1.00 31.44 C ATOM 714 CD1 LEU A 43 -10.143 -15.217 3.699 1.00 24.44 C ATOM 715 CD2 LEU A 43 -9.541 -13.650 1.900 1.00 61.23 C ATOM 0 H LEU A 43 -7.243 -12.098 3.449 1.00 43.51 H new ATOM 0 HA LEU A 43 -7.909 -13.840 4.609 1.00 65.50 H new ATOM 0 HB2 LEU A 43 -7.225 -15.178 1.980 1.00 12.21 H new ATOM 0 HB3 LEU A 43 -7.709 -16.178 3.335 1.00 12.21 H new ATOM 0 HG LEU A 43 -9.521 -15.751 1.744 1.00 31.44 H new ATOM 0 HD11 LEU A 43 -11.189 -15.090 3.419 1.00 24.44 H new ATOM 0 HD12 LEU A 43 -9.991 -16.225 4.086 1.00 24.44 H new ATOM 0 HD13 LEU A 43 -9.882 -14.490 4.468 1.00 24.44 H new ATOM 0 HD21 LEU A 43 -10.595 -13.565 1.636 1.00 61.23 H new ATOM 0 HD22 LEU A 43 -9.284 -12.875 2.622 1.00 61.23 H new ATOM 0 HD23 LEU A 43 -8.932 -13.528 1.005 1.00 61.23 H new ATOM 727 N HIS A 44 -6.307 -16.086 5.110 1.00 1.31 N ATOM 728 CA HIS A 44 -5.365 -16.977 5.808 1.00 72.53 C ATOM 729 C HIS A 44 -5.126 -16.544 7.268 1.00 52.35 C ATOM 730 O HIS A 44 -4.338 -17.146 7.993 1.00 2.34 O ATOM 731 CB HIS A 44 -4.035 -17.140 5.009 1.00 23.23 C ATOM 732 CG HIS A 44 -3.137 -18.247 5.497 1.00 74.41 C ATOM 733 ND1 HIS A 44 -1.838 -18.065 5.910 1.00 54.11 N ATOM 734 CD2 HIS A 44 -3.381 -19.569 5.622 1.00 45.45 C ATOM 735 CE1 HIS A 44 -1.342 -19.244 6.272 1.00 32.44 C ATOM 736 NE2 HIS A 44 -2.240 -20.201 6.118 1.00 61.51 N ATOM 0 H HIS A 44 -7.226 -16.510 4.984 1.00 1.31 H new ATOM 0 HA HIS A 44 -5.829 -17.962 5.857 1.00 72.53 H new ATOM 0 HB2 HIS A 44 -4.277 -17.322 3.962 1.00 23.23 H new ATOM 0 HB3 HIS A 44 -3.485 -16.200 5.051 1.00 23.23 H new ATOM 0 HD2 HIS A 44 -4.311 -20.059 5.377 1.00 45.45 H new ATOM 0 HE1 HIS A 44 -0.339 -19.399 6.642 1.00 32.44 H new ATOM 0 HE2 HIS A 44 -2.124 -21.194 6.320 1.00 61.51 H new ATOM 744 N THR A 45 -5.825 -15.534 7.706 1.00 64.14 N ATOM 745 CA THR A 45 -5.669 -15.049 9.051 1.00 75.13 C ATOM 746 C THR A 45 -6.998 -14.933 9.793 1.00 43.11 C ATOM 747 O THR A 45 -7.753 -13.986 9.581 1.00 73.20 O ATOM 748 CB THR A 45 -4.918 -13.699 9.069 1.00 1.43 C ATOM 749 OG1 THR A 45 -5.472 -12.812 8.069 1.00 61.22 O ATOM 750 CG2 THR A 45 -3.428 -13.889 8.822 1.00 44.22 C ATOM 0 H THR A 45 -6.512 -15.027 7.148 1.00 64.14 H new ATOM 0 HA THR A 45 -5.072 -15.791 9.581 1.00 75.13 H new ATOM 0 HB THR A 45 -5.044 -13.258 10.058 1.00 1.43 H new ATOM 0 HG1 THR A 45 -4.992 -11.958 8.088 1.00 61.22 H new ATOM 0 HG21 THR A 45 -2.930 -12.920 8.841 1.00 44.22 H new ATOM 0 HG22 THR A 45 -3.009 -14.528 9.599 1.00 44.22 H new ATOM 0 HG23 THR A 45 -3.277 -14.355 7.848 1.00 44.22 H new ATOM 758 N LYS A 46 -7.294 -15.938 10.632 1.00 2.52 N ATOM 759 CA LYS A 46 -8.474 -15.929 11.514 1.00 21.33 C ATOM 760 C LYS A 46 -9.780 -15.843 10.695 1.00 10.21 C ATOM 761 O LYS A 46 -9.848 -16.335 9.553 1.00 32.33 O ATOM 762 CB LYS A 46 -8.369 -14.730 12.482 1.00 72.21 C ATOM 763 CG LYS A 46 -7.178 -14.773 13.431 1.00 34.04 C ATOM 764 CD LYS A 46 -7.149 -13.558 14.355 1.00 11.54 C ATOM 765 CE LYS A 46 -6.895 -12.260 13.593 1.00 14.22 C ATOM 766 NZ LYS A 46 -6.957 -11.079 14.479 1.00 3.11 N ATOM 0 H LYS A 46 -6.724 -16.779 10.719 1.00 2.52 H new ATOM 0 HA LYS A 46 -8.500 -16.860 12.080 1.00 21.33 H new ATOM 0 HB2 LYS A 46 -8.315 -13.813 11.896 1.00 72.21 H new ATOM 0 HB3 LYS A 46 -9.284 -14.678 13.073 1.00 72.21 H new ATOM 0 HG2 LYS A 46 -7.221 -15.684 14.028 1.00 34.04 H new ATOM 0 HG3 LYS A 46 -6.254 -14.814 12.854 1.00 34.04 H new ATOM 0 HD2 LYS A 46 -8.098 -13.485 14.887 1.00 11.54 H new ATOM 0 HD3 LYS A 46 -6.372 -13.694 15.107 1.00 11.54 H new ATOM 0 HE2 LYS A 46 -5.916 -12.305 13.116 1.00 14.22 H new ATOM 0 HE3 LYS A 46 -7.633 -12.156 12.797 1.00 14.22 H new ATOM 0 HZ1 LYS A 46 -6.779 -10.218 13.923 1.00 3.11 H new ATOM 0 HZ2 LYS A 46 -7.899 -11.021 14.915 1.00 3.11 H new ATOM 0 HZ3 LYS A 46 -6.236 -11.165 15.224 1.00 3.11 H new ATOM 780 N GLY A 47 -10.826 -15.306 11.308 1.00 22.12 N ATOM 781 CA GLY A 47 -12.048 -15.040 10.599 1.00 71.32 C ATOM 782 C GLY A 47 -11.866 -13.800 9.768 1.00 14.32 C ATOM 783 O GLY A 47 -11.856 -12.680 10.295 1.00 61.13 O ATOM 0 H GLY A 47 -10.843 -15.050 12.295 1.00 22.12 H new ATOM 0 HA2 GLY A 47 -12.307 -15.886 9.963 1.00 71.32 H new ATOM 0 HA3 GLY A 47 -12.871 -14.906 11.302 1.00 71.32 H new ATOM 787 N ARG A 48 -11.667 -13.980 8.509 1.00 65.01 N ATOM 788 CA ARG A 48 -11.386 -12.891 7.633 1.00 5.15 C ATOM 789 C ARG A 48 -12.366 -12.962 6.476 1.00 53.33 C ATOM 790 O ARG A 48 -12.642 -14.060 5.985 1.00 61.42 O ATOM 791 CB ARG A 48 -9.950 -13.033 7.128 1.00 14.12 C ATOM 792 CG ARG A 48 -9.139 -11.746 7.053 1.00 31.23 C ATOM 793 CD ARG A 48 -8.625 -11.268 8.427 1.00 52.11 C ATOM 794 NE ARG A 48 -9.678 -10.848 9.390 1.00 52.33 N ATOM 795 CZ ARG A 48 -9.478 -9.986 10.407 1.00 70.11 C ATOM 796 NH1 ARG A 48 -8.247 -9.557 10.691 1.00 24.14 N ATOM 797 NH2 ARG A 48 -10.502 -9.592 11.163 1.00 73.54 N ATOM 0 H ARG A 48 -11.694 -14.892 8.053 1.00 65.01 H new ATOM 0 HA ARG A 48 -11.488 -11.932 8.140 1.00 5.15 H new ATOM 0 HB2 ARG A 48 -9.425 -13.733 7.778 1.00 14.12 H new ATOM 0 HB3 ARG A 48 -9.978 -13.480 6.134 1.00 14.12 H new ATOM 0 HG2 ARG A 48 -8.289 -11.898 6.388 1.00 31.23 H new ATOM 0 HG3 ARG A 48 -9.754 -10.962 6.610 1.00 31.23 H new ATOM 0 HD2 ARG A 48 -8.043 -12.072 8.878 1.00 52.11 H new ATOM 0 HD3 ARG A 48 -7.945 -10.431 8.271 1.00 52.11 H new ATOM 0 HE ARG A 48 -10.613 -11.238 9.273 1.00 52.33 H new ATOM 0 HH11 ARG A 48 -7.454 -9.881 10.138 1.00 24.14 H new ATOM 0 HH12 ARG A 48 -8.099 -8.905 11.461 1.00 24.14 H new ATOM 0 HH21 ARG A 48 -11.441 -9.943 10.973 1.00 73.54 H new ATOM 0 HH22 ARG A 48 -10.347 -8.940 11.932 1.00 73.54 H new ATOM 811 N PRO A 49 -12.937 -11.826 6.057 1.00 3.14 N ATOM 812 CA PRO A 49 -13.910 -11.792 4.962 1.00 31.32 C ATOM 813 C PRO A 49 -13.296 -12.196 3.639 1.00 3.20 C ATOM 814 O PRO A 49 -12.201 -11.739 3.273 1.00 41.41 O ATOM 815 CB PRO A 49 -14.366 -10.326 4.916 1.00 30.32 C ATOM 816 CG PRO A 49 -13.271 -9.567 5.569 1.00 25.03 C ATOM 817 CD PRO A 49 -12.693 -10.481 6.609 1.00 34.33 C ATOM 0 HA PRO A 49 -14.727 -12.494 5.128 1.00 31.32 H new ATOM 0 HB2 PRO A 49 -14.521 -9.992 3.890 1.00 30.32 H new ATOM 0 HB3 PRO A 49 -15.311 -10.189 5.442 1.00 30.32 H new ATOM 0 HG2 PRO A 49 -12.513 -9.274 4.843 1.00 25.03 H new ATOM 0 HG3 PRO A 49 -13.649 -8.650 6.022 1.00 25.03 H new ATOM 0 HD2 PRO A 49 -11.630 -10.296 6.760 1.00 34.33 H new ATOM 0 HD3 PRO A 49 -13.180 -10.349 7.575 1.00 34.33 H new ATOM 825 N PHE A 50 -13.975 -13.068 2.940 1.00 62.50 N ATOM 826 CA PHE A 50 -13.519 -13.499 1.662 1.00 3.51 C ATOM 827 C PHE A 50 -13.757 -12.383 0.673 1.00 52.23 C ATOM 828 O PHE A 50 -14.912 -12.023 0.399 1.00 60.25 O ATOM 829 CB PHE A 50 -14.225 -14.782 1.234 1.00 20.41 C ATOM 830 CG PHE A 50 -13.682 -15.370 -0.045 1.00 62.03 C ATOM 831 CD1 PHE A 50 -12.517 -16.119 -0.031 1.00 44.03 C ATOM 832 CD2 PHE A 50 -14.325 -15.162 -1.256 1.00 73.34 C ATOM 833 CE1 PHE A 50 -12.004 -16.652 -1.196 1.00 72.30 C ATOM 834 CE2 PHE A 50 -13.816 -15.691 -2.425 1.00 41.31 C ATOM 835 CZ PHE A 50 -12.655 -16.437 -2.395 1.00 43.41 C ATOM 0 H PHE A 50 -14.851 -13.491 3.245 1.00 62.50 H new ATOM 0 HA PHE A 50 -12.454 -13.726 1.705 1.00 3.51 H new ATOM 0 HB2 PHE A 50 -14.135 -15.520 2.031 1.00 20.41 H new ATOM 0 HB3 PHE A 50 -15.288 -14.578 1.108 1.00 20.41 H new ATOM 0 HD1 PHE A 50 -12.003 -16.288 0.904 1.00 44.03 H new ATOM 0 HD2 PHE A 50 -15.234 -14.580 -1.285 1.00 73.34 H new ATOM 0 HE1 PHE A 50 -11.096 -17.236 -1.170 1.00 72.30 H new ATOM 0 HE2 PHE A 50 -14.326 -15.521 -3.362 1.00 41.31 H new ATOM 0 HZ PHE A 50 -12.256 -16.852 -3.309 1.00 43.41 H new ATOM 845 N ARG A 51 -12.662 -11.831 0.175 1.00 3.43 N ATOM 846 CA ARG A 51 -12.649 -10.695 -0.728 1.00 11.32 C ATOM 847 C ARG A 51 -13.129 -9.448 0.003 1.00 64.45 C ATOM 848 O ARG A 51 -14.312 -9.115 0.014 1.00 54.13 O ATOM 849 CB ARG A 51 -13.470 -10.936 -1.994 1.00 11.40 C ATOM 850 CG ARG A 51 -13.263 -9.919 -3.111 1.00 13.34 C ATOM 851 CD ARG A 51 -11.837 -9.952 -3.615 1.00 32.31 C ATOM 852 NE ARG A 51 -11.625 -9.101 -4.790 1.00 34.01 N ATOM 853 CZ ARG A 51 -10.478 -9.042 -5.482 1.00 12.11 C ATOM 854 NH1 ARG A 51 -9.374 -9.606 -4.995 1.00 34.33 N ATOM 855 NH2 ARG A 51 -10.424 -8.367 -6.629 1.00 54.15 N ATOM 0 H ARG A 51 -11.727 -12.174 0.397 1.00 3.43 H new ATOM 0 HA ARG A 51 -11.619 -10.549 -1.055 1.00 11.32 H new ATOM 0 HB2 ARG A 51 -13.230 -11.927 -2.379 1.00 11.40 H new ATOM 0 HB3 ARG A 51 -14.526 -10.945 -1.725 1.00 11.40 H new ATOM 0 HG2 ARG A 51 -13.948 -10.131 -3.932 1.00 13.34 H new ATOM 0 HG3 ARG A 51 -13.501 -8.920 -2.747 1.00 13.34 H new ATOM 0 HD2 ARG A 51 -11.168 -9.632 -2.816 1.00 32.31 H new ATOM 0 HD3 ARG A 51 -11.569 -10.979 -3.864 1.00 32.31 H new ATOM 0 HE ARG A 51 -12.400 -8.516 -5.101 1.00 34.01 H new ATOM 0 HH11 ARG A 51 -9.400 -10.084 -4.094 1.00 34.33 H new ATOM 0 HH12 ARG A 51 -8.502 -9.560 -5.523 1.00 34.33 H new ATOM 0 HH21 ARG A 51 -11.256 -7.894 -6.982 1.00 54.15 H new ATOM 0 HH22 ARG A 51 -9.551 -8.323 -7.154 1.00 54.15 H new ATOM 869 N GLY A 52 -12.212 -8.837 0.674 1.00 64.14 N ATOM 870 CA GLY A 52 -12.458 -7.599 1.381 1.00 5.15 C ATOM 871 C GLY A 52 -12.470 -6.446 0.454 1.00 61.02 C ATOM 872 O GLY A 52 -13.207 -6.426 -0.553 1.00 31.31 O ATOM 0 H GLY A 52 -11.254 -9.177 0.756 1.00 64.14 H new ATOM 0 HA2 GLY A 52 -13.413 -7.659 1.903 1.00 5.15 H new ATOM 0 HA3 GLY A 52 -11.689 -7.451 2.139 1.00 5.15 H new ATOM 876 N MET A 53 -11.681 -5.492 0.770 1.00 2.52 N ATOM 877 CA MET A 53 -11.526 -4.353 -0.014 1.00 40.33 C ATOM 878 C MET A 53 -10.812 -4.778 -1.270 1.00 31.10 C ATOM 879 O MET A 53 -9.666 -5.213 -1.233 1.00 64.24 O ATOM 880 CB MET A 53 -10.760 -3.335 0.790 1.00 40.11 C ATOM 881 CG MET A 53 -10.646 -1.997 0.100 1.00 64.41 C ATOM 882 SD MET A 53 -9.863 -0.690 1.069 1.00 71.22 S ATOM 883 CE MET A 53 -8.151 -1.202 1.033 1.00 53.45 C ATOM 0 H MET A 53 -11.109 -5.493 1.615 1.00 2.52 H new ATOM 0 HA MET A 53 -12.471 -3.892 -0.300 1.00 40.33 H new ATOM 0 HB2 MET A 53 -11.250 -3.199 1.754 1.00 40.11 H new ATOM 0 HB3 MET A 53 -9.760 -3.719 0.992 1.00 40.11 H new ATOM 0 HG2 MET A 53 -10.081 -2.130 -0.823 1.00 64.41 H new ATOM 0 HG3 MET A 53 -11.646 -1.667 -0.183 1.00 64.41 H new ATOM 0 HE1 MET A 53 -7.671 -0.935 1.975 1.00 53.45 H new ATOM 0 HE2 MET A 53 -8.097 -2.281 0.892 1.00 53.45 H new ATOM 0 HE3 MET A 53 -7.639 -0.703 0.210 1.00 53.45 H new ATOM 893 N SER A 54 -11.523 -4.719 -2.353 1.00 75.33 N ATOM 894 CA SER A 54 -11.058 -5.236 -3.588 1.00 32.12 C ATOM 895 C SER A 54 -10.111 -4.256 -4.259 1.00 54.21 C ATOM 896 O SER A 54 -10.256 -3.056 -4.103 1.00 43.34 O ATOM 897 CB SER A 54 -12.264 -5.579 -4.428 1.00 74.03 C ATOM 898 OG SER A 54 -13.128 -6.432 -3.669 1.00 14.13 O ATOM 0 H SER A 54 -12.454 -4.304 -2.397 1.00 75.33 H new ATOM 0 HA SER A 54 -10.473 -6.144 -3.441 1.00 32.12 H new ATOM 0 HB2 SER A 54 -12.791 -4.671 -4.719 1.00 74.03 H new ATOM 0 HB3 SER A 54 -11.955 -6.077 -5.347 1.00 74.03 H new ATOM 0 HG SER A 54 -13.916 -6.660 -4.205 1.00 14.13 H new ATOM 904 N GLU A 55 -9.187 -4.793 -5.024 1.00 11.11 N ATOM 905 CA GLU A 55 -8.053 -4.107 -5.623 1.00 51.04 C ATOM 906 C GLU A 55 -8.389 -2.740 -6.241 1.00 31.14 C ATOM 907 O GLU A 55 -7.703 -1.763 -5.974 1.00 14.45 O ATOM 908 CB GLU A 55 -7.549 -5.010 -6.690 1.00 1.52 C ATOM 909 CG GLU A 55 -6.236 -4.643 -7.267 1.00 43.13 C ATOM 910 CD GLU A 55 -5.950 -5.494 -8.448 1.00 14.45 C ATOM 911 OE1 GLU A 55 -5.910 -6.724 -8.306 1.00 51.23 O ATOM 912 OE2 GLU A 55 -5.860 -4.956 -9.569 1.00 32.11 O ATOM 0 H GLU A 55 -9.205 -5.785 -5.263 1.00 11.11 H new ATOM 0 HA GLU A 55 -7.324 -3.897 -4.840 1.00 51.04 H new ATOM 0 HB2 GLU A 55 -7.479 -6.019 -6.285 1.00 1.52 H new ATOM 0 HB3 GLU A 55 -8.284 -5.040 -7.494 1.00 1.52 H new ATOM 0 HG2 GLU A 55 -6.237 -3.592 -7.556 1.00 43.13 H new ATOM 0 HG3 GLU A 55 -5.453 -4.767 -6.519 1.00 43.13 H new ATOM 919 N GLU A 56 -9.432 -2.672 -7.029 1.00 35.14 N ATOM 920 CA GLU A 56 -9.801 -1.440 -7.690 1.00 13.03 C ATOM 921 C GLU A 56 -10.248 -0.387 -6.678 1.00 42.04 C ATOM 922 O GLU A 56 -9.874 0.786 -6.784 1.00 13.11 O ATOM 923 CB GLU A 56 -10.885 -1.706 -8.711 1.00 63.41 C ATOM 924 CG GLU A 56 -11.370 -0.483 -9.448 1.00 20.44 C ATOM 925 CD GLU A 56 -12.416 -0.824 -10.456 1.00 14.21 C ATOM 926 OE1 GLU A 56 -13.493 -1.319 -10.056 1.00 13.44 O ATOM 927 OE2 GLU A 56 -12.167 -0.645 -11.673 1.00 71.43 O ATOM 0 H GLU A 56 -10.047 -3.460 -7.231 1.00 35.14 H new ATOM 0 HA GLU A 56 -8.925 -1.047 -8.207 1.00 13.03 H new ATOM 0 HB2 GLU A 56 -10.512 -2.427 -9.438 1.00 63.41 H new ATOM 0 HB3 GLU A 56 -11.733 -2.170 -8.208 1.00 63.41 H new ATOM 0 HG2 GLU A 56 -11.773 0.236 -8.734 1.00 20.44 H new ATOM 0 HG3 GLU A 56 -10.529 -0.001 -9.946 1.00 20.44 H new ATOM 934 N GLU A 57 -10.990 -0.813 -5.670 1.00 45.52 N ATOM 935 CA GLU A 57 -11.478 0.106 -4.664 1.00 62.32 C ATOM 936 C GLU A 57 -10.333 0.450 -3.706 1.00 74.31 C ATOM 937 O GLU A 57 -10.315 1.518 -3.086 1.00 74.32 O ATOM 938 CB GLU A 57 -12.708 -0.473 -3.934 1.00 33.35 C ATOM 939 CG GLU A 57 -12.397 -1.248 -2.700 1.00 52.33 C ATOM 940 CD GLU A 57 -13.607 -1.884 -2.064 1.00 5.42 C ATOM 941 OE1 GLU A 57 -14.447 -1.164 -1.487 1.00 62.04 O ATOM 942 OE2 GLU A 57 -13.743 -3.129 -2.128 1.00 63.44 O ATOM 0 H GLU A 57 -11.265 -1.785 -5.529 1.00 45.52 H new ATOM 0 HA GLU A 57 -11.815 1.028 -5.137 1.00 62.32 H new ATOM 0 HB2 GLU A 57 -13.376 0.347 -3.672 1.00 33.35 H new ATOM 0 HB3 GLU A 57 -13.251 -1.119 -4.624 1.00 33.35 H new ATOM 0 HG2 GLU A 57 -11.674 -2.026 -2.943 1.00 52.33 H new ATOM 0 HG3 GLU A 57 -11.922 -0.586 -1.976 1.00 52.33 H new ATOM 949 N VAL A 58 -9.369 -0.462 -3.619 1.00 71.31 N ATOM 950 CA VAL A 58 -8.176 -0.285 -2.856 1.00 10.20 C ATOM 951 C VAL A 58 -7.330 0.802 -3.485 1.00 51.23 C ATOM 952 O VAL A 58 -6.973 1.797 -2.835 1.00 50.41 O ATOM 953 CB VAL A 58 -7.353 -1.603 -2.838 1.00 73.12 C ATOM 954 CG1 VAL A 58 -5.964 -1.392 -2.316 1.00 61.21 C ATOM 955 CG2 VAL A 58 -8.038 -2.647 -2.017 1.00 31.40 C ATOM 0 H VAL A 58 -9.414 -1.362 -4.096 1.00 71.31 H new ATOM 0 HA VAL A 58 -8.450 -0.009 -1.838 1.00 10.20 H new ATOM 0 HB VAL A 58 -7.282 -1.942 -3.872 1.00 73.12 H new ATOM 0 HG11 VAL A 58 -5.425 -2.340 -2.321 1.00 61.21 H new ATOM 0 HG12 VAL A 58 -5.442 -0.675 -2.949 1.00 61.21 H new ATOM 0 HG13 VAL A 58 -6.013 -1.008 -1.297 1.00 61.21 H new ATOM 0 HG21 VAL A 58 -7.443 -3.560 -2.020 1.00 31.40 H new ATOM 0 HG22 VAL A 58 -8.150 -2.290 -0.993 1.00 31.40 H new ATOM 0 HG23 VAL A 58 -9.022 -2.854 -2.438 1.00 31.40 H new ATOM 965 N PHE A 59 -7.060 0.615 -4.773 1.00 14.31 N ATOM 966 CA PHE A 59 -6.175 1.461 -5.530 1.00 15.51 C ATOM 967 C PHE A 59 -6.643 2.902 -5.526 1.00 72.31 C ATOM 968 O PHE A 59 -5.815 3.801 -5.530 1.00 33.21 O ATOM 969 CB PHE A 59 -5.981 0.922 -6.958 1.00 13.31 C ATOM 970 CG PHE A 59 -4.866 1.590 -7.723 1.00 52.50 C ATOM 971 CD1 PHE A 59 -3.543 1.264 -7.458 1.00 10.13 C ATOM 972 CD2 PHE A 59 -5.133 2.532 -8.701 1.00 31.33 C ATOM 973 CE1 PHE A 59 -2.512 1.866 -8.151 1.00 3.40 C ATOM 974 CE2 PHE A 59 -4.105 3.137 -9.397 1.00 55.23 C ATOM 975 CZ PHE A 59 -2.793 2.803 -9.122 1.00 34.23 C ATOM 0 H PHE A 59 -7.463 -0.146 -5.320 1.00 14.31 H new ATOM 0 HA PHE A 59 -5.201 1.445 -5.042 1.00 15.51 H new ATOM 0 HB2 PHE A 59 -5.781 -0.148 -6.907 1.00 13.31 H new ATOM 0 HB3 PHE A 59 -6.912 1.046 -7.511 1.00 13.31 H new ATOM 0 HD1 PHE A 59 -3.317 0.529 -6.699 1.00 10.13 H new ATOM 0 HD2 PHE A 59 -6.156 2.797 -8.922 1.00 31.33 H new ATOM 0 HE1 PHE A 59 -1.487 1.603 -7.933 1.00 3.40 H new ATOM 0 HE2 PHE A 59 -4.327 3.872 -10.157 1.00 55.23 H new ATOM 0 HZ PHE A 59 -1.989 3.275 -9.667 1.00 34.23 H new ATOM 985 N THR A 60 -7.961 3.123 -5.467 1.00 10.43 N ATOM 986 CA THR A 60 -8.505 4.409 -5.373 1.00 15.23 C ATOM 987 C THR A 60 -7.944 5.164 -4.162 1.00 42.31 C ATOM 988 O THR A 60 -7.458 6.277 -4.303 1.00 40.22 O ATOM 989 CB THR A 60 -10.012 4.300 -5.222 1.00 42.23 C ATOM 990 OG1 THR A 60 -10.589 3.680 -6.386 1.00 51.01 O ATOM 991 CG2 THR A 60 -10.591 5.649 -5.017 1.00 50.13 C ATOM 0 H THR A 60 -8.658 2.378 -5.486 1.00 10.43 H new ATOM 0 HA THR A 60 -8.243 4.957 -6.278 1.00 15.23 H new ATOM 0 HB THR A 60 -10.238 3.679 -4.355 1.00 42.23 H new ATOM 0 HG1 THR A 60 -10.381 2.722 -6.384 1.00 51.01 H new ATOM 0 HG21 THR A 60 -11.673 5.568 -4.909 1.00 50.13 H new ATOM 0 HG22 THR A 60 -10.168 6.093 -4.116 1.00 50.13 H new ATOM 0 HG23 THR A 60 -10.358 6.279 -5.875 1.00 50.13 H new ATOM 999 N GLU A 61 -7.949 4.533 -2.992 1.00 4.51 N ATOM 1000 CA GLU A 61 -7.546 5.224 -1.800 1.00 74.22 C ATOM 1001 C GLU A 61 -6.051 5.379 -1.754 1.00 44.23 C ATOM 1002 O GLU A 61 -5.548 6.327 -1.195 1.00 64.40 O ATOM 1003 CB GLU A 61 -8.064 4.535 -0.555 1.00 13.24 C ATOM 1004 CG GLU A 61 -9.559 4.507 -0.479 1.00 20.23 C ATOM 1005 CD GLU A 61 -10.070 4.039 0.846 1.00 4.33 C ATOM 1006 OE1 GLU A 61 -10.188 4.873 1.765 1.00 65.30 O ATOM 1007 OE2 GLU A 61 -10.381 2.849 0.995 1.00 53.40 O ATOM 0 H GLU A 61 -8.225 3.560 -2.857 1.00 4.51 H new ATOM 0 HA GLU A 61 -7.990 6.219 -1.827 1.00 74.22 H new ATOM 0 HB2 GLU A 61 -7.685 3.513 -0.528 1.00 13.24 H new ATOM 0 HB3 GLU A 61 -7.671 5.044 0.325 1.00 13.24 H new ATOM 0 HG2 GLU A 61 -9.946 5.506 -0.679 1.00 20.23 H new ATOM 0 HG3 GLU A 61 -9.945 3.854 -1.262 1.00 20.23 H new ATOM 1014 N VAL A 62 -5.352 4.454 -2.365 1.00 61.45 N ATOM 1015 CA VAL A 62 -3.908 4.517 -2.435 1.00 22.21 C ATOM 1016 C VAL A 62 -3.467 5.629 -3.410 1.00 14.11 C ATOM 1017 O VAL A 62 -2.544 6.387 -3.129 1.00 13.23 O ATOM 1018 CB VAL A 62 -3.309 3.164 -2.851 1.00 13.14 C ATOM 1019 CG1 VAL A 62 -1.807 3.205 -2.760 1.00 71.32 C ATOM 1020 CG2 VAL A 62 -3.857 2.053 -1.974 1.00 42.34 C ATOM 0 H VAL A 62 -5.762 3.641 -2.825 1.00 61.45 H new ATOM 0 HA VAL A 62 -3.532 4.754 -1.440 1.00 22.21 H new ATOM 0 HB VAL A 62 -3.590 2.964 -3.885 1.00 13.14 H new ATOM 0 HG11 VAL A 62 -1.398 2.240 -3.058 1.00 71.32 H new ATOM 0 HG12 VAL A 62 -1.423 3.981 -3.422 1.00 71.32 H new ATOM 0 HG13 VAL A 62 -1.510 3.424 -1.734 1.00 71.32 H new ATOM 0 HG21 VAL A 62 -3.424 1.101 -2.280 1.00 42.34 H new ATOM 0 HG22 VAL A 62 -3.600 2.251 -0.933 1.00 42.34 H new ATOM 0 HG23 VAL A 62 -4.941 2.009 -2.078 1.00 42.34 H new ATOM 1030 N ALA A 63 -4.164 5.746 -4.530 1.00 2.45 N ATOM 1031 CA ALA A 63 -3.897 6.811 -5.495 1.00 52.31 C ATOM 1032 C ALA A 63 -4.267 8.153 -4.887 1.00 42.51 C ATOM 1033 O ALA A 63 -3.634 9.146 -5.128 1.00 12.20 O ATOM 1034 CB ALA A 63 -4.662 6.576 -6.789 1.00 43.35 C ATOM 0 H ALA A 63 -4.921 5.117 -4.797 1.00 2.45 H new ATOM 0 HA ALA A 63 -2.834 6.811 -5.735 1.00 52.31 H new ATOM 0 HB1 ALA A 63 -4.447 7.382 -7.491 1.00 43.35 H new ATOM 0 HB2 ALA A 63 -4.357 5.625 -7.224 1.00 43.35 H new ATOM 0 HB3 ALA A 63 -5.732 6.553 -6.580 1.00 43.35 H new ATOM 1040 N ASN A 64 -5.301 8.125 -4.084 1.00 65.20 N ATOM 1041 CA ASN A 64 -5.793 9.265 -3.312 1.00 45.34 C ATOM 1042 C ASN A 64 -4.801 9.652 -2.198 1.00 75.43 C ATOM 1043 O ASN A 64 -4.694 10.813 -1.805 1.00 12.33 O ATOM 1044 CB ASN A 64 -7.130 8.864 -2.736 1.00 60.13 C ATOM 1045 CG ASN A 64 -7.739 9.787 -1.711 1.00 14.31 C ATOM 1046 OD1 ASN A 64 -7.655 11.012 -1.798 1.00 4.33 O ATOM 1047 ND2 ASN A 64 -8.337 9.188 -0.713 1.00 12.40 N ATOM 0 H ASN A 64 -5.852 7.280 -3.936 1.00 65.20 H new ATOM 0 HA ASN A 64 -5.898 10.143 -3.949 1.00 45.34 H new ATOM 0 HB2 ASN A 64 -7.836 8.760 -3.560 1.00 60.13 H new ATOM 0 HB3 ASN A 64 -7.022 7.879 -2.283 1.00 60.13 H new ATOM 0 HD21 ASN A 64 -8.758 9.740 0.035 1.00 12.40 H new ATOM 0 HD22 ASN A 64 -8.382 8.169 -0.683 1.00 12.40 H new ATOM 1054 N LEU A 65 -4.084 8.685 -1.722 1.00 60.15 N ATOM 1055 CA LEU A 65 -3.115 8.851 -0.690 1.00 1.10 C ATOM 1056 C LEU A 65 -1.890 9.543 -1.308 1.00 35.04 C ATOM 1057 O LEU A 65 -1.396 10.542 -0.794 1.00 54.45 O ATOM 1058 CB LEU A 65 -2.740 7.450 -0.245 1.00 33.02 C ATOM 1059 CG LEU A 65 -2.201 7.202 1.123 1.00 5.13 C ATOM 1060 CD1 LEU A 65 -0.901 7.880 1.332 1.00 11.14 C ATOM 1061 CD2 LEU A 65 -3.172 7.547 2.199 1.00 22.23 C ATOM 0 H LEU A 65 -4.161 7.724 -2.054 1.00 60.15 H new ATOM 0 HA LEU A 65 -3.482 9.444 0.148 1.00 1.10 H new ATOM 0 HB2 LEU A 65 -3.630 6.830 -0.356 1.00 33.02 H new ATOM 0 HB3 LEU A 65 -2.001 7.076 -0.953 1.00 33.02 H new ATOM 0 HG LEU A 65 -2.031 6.127 1.191 1.00 5.13 H new ATOM 0 HD11 LEU A 65 -0.542 7.675 2.340 1.00 11.14 H new ATOM 0 HD12 LEU A 65 -0.177 7.510 0.606 1.00 11.14 H new ATOM 0 HD13 LEU A 65 -1.026 8.955 1.203 1.00 11.14 H new ATOM 0 HD21 LEU A 65 -2.724 7.345 3.172 1.00 22.23 H new ATOM 0 HD22 LEU A 65 -3.431 8.604 2.131 1.00 22.23 H new ATOM 0 HD23 LEU A 65 -4.073 6.945 2.083 1.00 22.23 H new ATOM 1073 N PHE A 66 -1.436 9.015 -2.430 1.00 2.01 N ATOM 1074 CA PHE A 66 -0.252 9.522 -3.102 1.00 24.21 C ATOM 1075 C PHE A 66 -0.654 10.284 -4.365 1.00 13.42 C ATOM 1076 O PHE A 66 -0.042 10.102 -5.421 1.00 51.40 O ATOM 1077 CB PHE A 66 0.668 8.360 -3.513 1.00 54.21 C ATOM 1078 CG PHE A 66 0.987 7.362 -2.432 1.00 53.22 C ATOM 1079 CD1 PHE A 66 1.659 7.741 -1.292 1.00 33.24 C ATOM 1080 CD2 PHE A 66 0.640 6.031 -2.582 1.00 34.21 C ATOM 1081 CE1 PHE A 66 1.975 6.817 -0.321 1.00 23.31 C ATOM 1082 CE2 PHE A 66 0.950 5.105 -1.612 1.00 21.41 C ATOM 1083 CZ PHE A 66 1.620 5.499 -0.480 1.00 74.52 C ATOM 0 H PHE A 66 -1.876 8.224 -2.901 1.00 2.01 H new ATOM 0 HA PHE A 66 0.272 10.184 -2.413 1.00 24.21 H new ATOM 0 HB2 PHE A 66 0.203 7.830 -4.344 1.00 54.21 H new ATOM 0 HB3 PHE A 66 1.604 8.777 -3.884 1.00 54.21 H new ATOM 0 HD1 PHE A 66 1.942 8.775 -1.158 1.00 33.24 H new ATOM 0 HD2 PHE A 66 0.118 5.714 -3.473 1.00 34.21 H new ATOM 0 HE1 PHE A 66 2.503 7.129 0.568 1.00 23.31 H new ATOM 0 HE2 PHE A 66 0.667 4.071 -1.741 1.00 21.41 H new ATOM 0 HZ PHE A 66 1.867 4.775 0.283 1.00 74.52 H new ATOM 1093 N ARG A 67 -1.644 11.160 -4.252 1.00 4.42 N ATOM 1094 CA ARG A 67 -2.154 11.898 -5.419 1.00 70.44 C ATOM 1095 C ARG A 67 -1.073 12.724 -6.085 1.00 22.15 C ATOM 1096 O ARG A 67 -0.452 13.598 -5.454 1.00 31.15 O ATOM 1097 CB ARG A 67 -3.341 12.802 -5.077 1.00 32.31 C ATOM 1098 CG ARG A 67 -4.526 12.084 -4.547 1.00 33.30 C ATOM 1099 CD ARG A 67 -5.697 13.008 -4.349 1.00 44.34 C ATOM 1100 NE ARG A 67 -6.217 13.518 -5.616 1.00 5.42 N ATOM 1101 CZ ARG A 67 -7.365 14.183 -5.756 1.00 53.42 C ATOM 1102 NH1 ARG A 67 -8.148 14.412 -4.699 1.00 10.55 N ATOM 1103 NH2 ARG A 67 -7.727 14.617 -6.945 1.00 51.54 N ATOM 0 H ARG A 67 -2.113 11.382 -3.374 1.00 4.42 H new ATOM 0 HA ARG A 67 -2.498 11.132 -6.115 1.00 70.44 H new ATOM 0 HB2 ARG A 67 -3.020 13.540 -4.342 1.00 32.31 H new ATOM 0 HB3 ARG A 67 -3.634 13.350 -5.972 1.00 32.31 H new ATOM 0 HG2 ARG A 67 -4.805 11.286 -5.235 1.00 33.30 H new ATOM 0 HG3 ARG A 67 -4.271 11.612 -3.598 1.00 33.30 H new ATOM 0 HD2 ARG A 67 -6.489 12.479 -3.819 1.00 44.34 H new ATOM 0 HD3 ARG A 67 -5.395 13.845 -3.719 1.00 44.34 H new ATOM 0 HE ARG A 67 -5.661 13.353 -6.455 1.00 5.42 H new ATOM 0 HH11 ARG A 67 -7.870 14.078 -3.776 1.00 10.55 H new ATOM 0 HH12 ARG A 67 -9.024 14.921 -4.814 1.00 10.55 H new ATOM 0 HH21 ARG A 67 -7.131 14.444 -7.754 1.00 51.54 H new ATOM 0 HH22 ARG A 67 -8.604 15.126 -7.057 1.00 51.54 H new ATOM 1117 N GLY A 68 -0.827 12.425 -7.332 1.00 12.13 N ATOM 1118 CA GLY A 68 0.155 13.137 -8.101 1.00 35.52 C ATOM 1119 C GLY A 68 1.480 12.425 -8.107 1.00 21.21 C ATOM 1120 O GLY A 68 2.301 12.614 -9.010 1.00 63.20 O ATOM 0 H GLY A 68 -1.302 11.681 -7.843 1.00 12.13 H new ATOM 0 HA2 GLY A 68 -0.200 13.254 -9.125 1.00 35.52 H new ATOM 0 HA3 GLY A 68 0.282 14.139 -7.691 1.00 35.52 H new ATOM 1124 N GLN A 69 1.690 11.583 -7.127 1.00 2.44 N ATOM 1125 CA GLN A 69 2.932 10.897 -6.981 1.00 4.25 C ATOM 1126 C GLN A 69 2.857 9.565 -7.698 1.00 31.23 C ATOM 1127 O GLN A 69 2.778 8.504 -7.072 1.00 40.01 O ATOM 1128 CB GLN A 69 3.230 10.679 -5.508 1.00 4.54 C ATOM 1129 CG GLN A 69 2.991 11.905 -4.637 1.00 55.41 C ATOM 1130 CD GLN A 69 3.825 13.109 -5.025 1.00 2.52 C ATOM 1131 OE1 GLN A 69 4.932 12.980 -5.538 1.00 41.13 O ATOM 1132 NE2 GLN A 69 3.299 14.276 -4.779 1.00 0.42 N ATOM 0 H GLN A 69 0.999 11.359 -6.411 1.00 2.44 H new ATOM 0 HA GLN A 69 3.732 11.496 -7.417 1.00 4.25 H new ATOM 0 HB2 GLN A 69 2.612 9.860 -5.141 1.00 4.54 H new ATOM 0 HB3 GLN A 69 4.269 10.367 -5.401 1.00 4.54 H new ATOM 0 HG2 GLN A 69 1.936 12.175 -4.689 1.00 55.41 H new ATOM 0 HG3 GLN A 69 3.204 11.648 -3.599 1.00 55.41 H new ATOM 0 HE21 GLN A 69 2.375 14.339 -4.351 1.00 0.42 H new ATOM 0 HE22 GLN A 69 3.811 15.126 -5.015 1.00 0.42 H new ATOM 1141 N GLU A 70 2.868 9.622 -9.015 1.00 41.45 N ATOM 1142 CA GLU A 70 2.764 8.434 -9.856 1.00 32.14 C ATOM 1143 C GLU A 70 3.961 7.532 -9.677 1.00 43.23 C ATOM 1144 O GLU A 70 3.886 6.334 -9.901 1.00 61.02 O ATOM 1145 CB GLU A 70 2.576 8.817 -11.305 1.00 51.20 C ATOM 1146 CG GLU A 70 1.297 9.583 -11.536 1.00 72.41 C ATOM 1147 CD GLU A 70 1.091 9.959 -12.966 1.00 22.03 C ATOM 1148 OE1 GLU A 70 0.548 9.132 -13.738 1.00 31.31 O ATOM 1149 OE2 GLU A 70 1.441 11.086 -13.344 1.00 75.35 O ATOM 0 H GLU A 70 2.949 10.493 -9.539 1.00 41.45 H new ATOM 0 HA GLU A 70 1.883 7.874 -9.541 1.00 32.14 H new ATOM 0 HB2 GLU A 70 3.422 9.422 -11.631 1.00 51.20 H new ATOM 0 HB3 GLU A 70 2.573 7.916 -11.919 1.00 51.20 H new ATOM 0 HG2 GLU A 70 0.453 8.980 -11.200 1.00 72.41 H new ATOM 0 HG3 GLU A 70 1.306 10.487 -10.926 1.00 72.41 H new ATOM 1156 N ASP A 71 5.044 8.124 -9.233 1.00 61.11 N ATOM 1157 CA ASP A 71 6.275 7.415 -8.889 1.00 33.01 C ATOM 1158 C ASP A 71 5.972 6.335 -7.848 1.00 33.45 C ATOM 1159 O ASP A 71 6.318 5.163 -8.024 1.00 23.03 O ATOM 1160 CB ASP A 71 7.296 8.441 -8.362 1.00 42.33 C ATOM 1161 CG ASP A 71 8.632 7.872 -7.902 1.00 73.11 C ATOM 1162 OD1 ASP A 71 9.442 7.449 -8.753 1.00 0.24 O ATOM 1163 OD2 ASP A 71 8.941 7.944 -6.691 1.00 4.12 O ATOM 0 H ASP A 71 5.106 9.133 -9.094 1.00 61.11 H new ATOM 0 HA ASP A 71 6.695 6.920 -9.764 1.00 33.01 H new ATOM 0 HB2 ASP A 71 7.485 9.173 -9.147 1.00 42.33 H new ATOM 0 HB3 ASP A 71 6.845 8.978 -7.528 1.00 42.33 H new ATOM 1168 N LEU A 72 5.225 6.729 -6.829 1.00 35.34 N ATOM 1169 CA LEU A 72 4.823 5.837 -5.752 1.00 73.15 C ATOM 1170 C LEU A 72 3.734 4.875 -6.213 1.00 32.34 C ATOM 1171 O LEU A 72 3.702 3.707 -5.811 1.00 13.41 O ATOM 1172 CB LEU A 72 4.311 6.651 -4.562 1.00 75.05 C ATOM 1173 CG LEU A 72 5.344 7.505 -3.833 1.00 14.25 C ATOM 1174 CD1 LEU A 72 4.658 8.431 -2.856 1.00 70.52 C ATOM 1175 CD2 LEU A 72 6.318 6.616 -3.090 1.00 52.02 C ATOM 0 H LEU A 72 4.878 7.683 -6.725 1.00 35.34 H new ATOM 0 HA LEU A 72 5.696 5.256 -5.453 1.00 73.15 H new ATOM 0 HB2 LEU A 72 3.513 7.305 -4.913 1.00 75.05 H new ATOM 0 HB3 LEU A 72 3.867 5.963 -3.843 1.00 75.05 H new ATOM 0 HG LEU A 72 5.887 8.100 -4.568 1.00 14.25 H new ATOM 0 HD11 LEU A 72 5.405 9.035 -2.342 1.00 70.52 H new ATOM 0 HD12 LEU A 72 3.971 9.084 -3.394 1.00 70.52 H new ATOM 0 HD13 LEU A 72 4.102 7.843 -2.126 1.00 70.52 H new ATOM 0 HD21 LEU A 72 7.052 7.233 -2.572 1.00 52.02 H new ATOM 0 HD22 LEU A 72 5.776 6.010 -2.364 1.00 52.02 H new ATOM 0 HD23 LEU A 72 6.828 5.963 -3.798 1.00 52.02 H new ATOM 1187 N LEU A 73 2.880 5.355 -7.095 1.00 43.04 N ATOM 1188 CA LEU A 73 1.731 4.578 -7.573 1.00 64.21 C ATOM 1189 C LEU A 73 2.206 3.451 -8.488 1.00 1.43 C ATOM 1190 O LEU A 73 1.606 2.370 -8.545 1.00 43.14 O ATOM 1191 CB LEU A 73 0.738 5.497 -8.309 1.00 1.12 C ATOM 1192 CG LEU A 73 0.243 6.725 -7.516 1.00 41.30 C ATOM 1193 CD1 LEU A 73 -0.696 7.585 -8.328 1.00 34.23 C ATOM 1194 CD2 LEU A 73 -0.425 6.324 -6.225 1.00 11.05 C ATOM 0 H LEU A 73 2.953 6.287 -7.504 1.00 43.04 H new ATOM 0 HA LEU A 73 1.219 4.136 -6.718 1.00 64.21 H new ATOM 0 HB2 LEU A 73 1.209 5.847 -9.227 1.00 1.12 H new ATOM 0 HB3 LEU A 73 -0.128 4.904 -8.601 1.00 1.12 H new ATOM 0 HG LEU A 73 1.131 7.312 -7.283 1.00 41.30 H new ATOM 0 HD11 LEU A 73 -1.018 8.437 -7.729 1.00 34.23 H new ATOM 0 HD12 LEU A 73 -0.182 7.942 -9.220 1.00 34.23 H new ATOM 0 HD13 LEU A 73 -1.566 6.997 -8.621 1.00 34.23 H new ATOM 0 HD21 LEU A 73 -0.759 7.216 -5.696 1.00 11.05 H new ATOM 0 HD22 LEU A 73 -1.283 5.688 -6.442 1.00 11.05 H new ATOM 0 HD23 LEU A 73 0.284 5.778 -5.603 1.00 11.05 H new ATOM 1206 N SER A 74 3.295 3.707 -9.173 1.00 12.11 N ATOM 1207 CA SER A 74 3.911 2.751 -10.047 1.00 5.31 C ATOM 1208 C SER A 74 4.578 1.646 -9.209 1.00 42.44 C ATOM 1209 O SER A 74 4.358 0.453 -9.449 1.00 14.35 O ATOM 1210 CB SER A 74 4.929 3.484 -10.959 1.00 24.55 C ATOM 1211 OG SER A 74 5.496 2.645 -11.966 1.00 33.42 O ATOM 0 H SER A 74 3.782 4.602 -9.134 1.00 12.11 H new ATOM 0 HA SER A 74 3.166 2.276 -10.685 1.00 5.31 H new ATOM 0 HB2 SER A 74 4.434 4.329 -11.437 1.00 24.55 H new ATOM 0 HB3 SER A 74 5.730 3.891 -10.342 1.00 24.55 H new ATOM 0 HG SER A 74 6.126 3.164 -12.508 1.00 33.42 H new ATOM 1217 N GLU A 75 5.320 2.043 -8.175 1.00 33.45 N ATOM 1218 CA GLU A 75 6.037 1.088 -7.331 1.00 2.41 C ATOM 1219 C GLU A 75 5.081 0.267 -6.479 1.00 24.21 C ATOM 1220 O GLU A 75 5.398 -0.856 -6.096 1.00 34.13 O ATOM 1221 CB GLU A 75 7.045 1.792 -6.443 1.00 1.33 C ATOM 1222 CG GLU A 75 8.046 2.616 -7.204 1.00 63.53 C ATOM 1223 CD GLU A 75 9.067 3.261 -6.319 1.00 34.02 C ATOM 1224 OE1 GLU A 75 8.734 4.192 -5.589 1.00 25.15 O ATOM 1225 OE2 GLU A 75 10.251 2.865 -6.383 1.00 30.40 O ATOM 0 H GLU A 75 5.440 3.018 -7.902 1.00 33.45 H new ATOM 0 HA GLU A 75 6.570 0.410 -7.998 1.00 2.41 H new ATOM 0 HB2 GLU A 75 6.513 2.437 -5.744 1.00 1.33 H new ATOM 0 HB3 GLU A 75 7.576 1.048 -5.849 1.00 1.33 H new ATOM 0 HG2 GLU A 75 8.553 1.982 -7.931 1.00 63.53 H new ATOM 0 HG3 GLU A 75 7.521 3.388 -7.766 1.00 63.53 H new ATOM 1232 N PHE A 76 3.909 0.826 -6.201 1.00 30.10 N ATOM 1233 CA PHE A 76 2.881 0.149 -5.419 1.00 72.12 C ATOM 1234 C PHE A 76 2.511 -1.184 -6.056 1.00 74.25 C ATOM 1235 O PHE A 76 2.453 -2.192 -5.376 1.00 3.53 O ATOM 1236 CB PHE A 76 1.656 1.063 -5.247 1.00 25.03 C ATOM 1237 CG PHE A 76 0.604 0.517 -4.324 1.00 41.33 C ATOM 1238 CD1 PHE A 76 0.928 0.146 -3.026 1.00 52.14 C ATOM 1239 CD2 PHE A 76 -0.703 0.382 -4.748 1.00 71.15 C ATOM 1240 CE1 PHE A 76 -0.031 -0.352 -2.170 1.00 31.55 C ATOM 1241 CE2 PHE A 76 -1.675 -0.117 -3.893 1.00 51.32 C ATOM 1242 CZ PHE A 76 -1.331 -0.488 -2.599 1.00 54.13 C ATOM 0 H PHE A 76 3.645 1.761 -6.511 1.00 30.10 H new ATOM 0 HA PHE A 76 3.275 -0.067 -4.426 1.00 72.12 H new ATOM 0 HB2 PHE A 76 1.988 2.030 -4.869 1.00 25.03 H new ATOM 0 HB3 PHE A 76 1.209 1.240 -6.225 1.00 25.03 H new ATOM 0 HD1 PHE A 76 1.946 0.249 -2.682 1.00 52.14 H new ATOM 0 HD2 PHE A 76 -0.971 0.667 -5.754 1.00 71.15 H new ATOM 0 HE1 PHE A 76 0.238 -0.635 -1.163 1.00 31.55 H new ATOM 0 HE2 PHE A 76 -2.696 -0.217 -4.232 1.00 51.32 H new ATOM 0 HZ PHE A 76 -2.083 -0.882 -1.931 1.00 54.13 H new ATOM 1252 N GLY A 77 2.358 -1.192 -7.372 1.00 73.34 N ATOM 1253 CA GLY A 77 2.019 -2.422 -8.079 1.00 54.25 C ATOM 1254 C GLY A 77 3.134 -3.464 -8.013 1.00 13.43 C ATOM 1255 O GLY A 77 2.877 -4.661 -8.050 1.00 12.33 O ATOM 0 H GLY A 77 2.461 -0.371 -7.968 1.00 73.34 H new ATOM 0 HA2 GLY A 77 1.108 -2.842 -7.653 1.00 54.25 H new ATOM 0 HA3 GLY A 77 1.805 -2.190 -9.122 1.00 54.25 H new ATOM 1259 N GLN A 78 4.364 -2.997 -7.884 1.00 1.13 N ATOM 1260 CA GLN A 78 5.519 -3.866 -7.831 1.00 34.23 C ATOM 1261 C GLN A 78 5.647 -4.443 -6.410 1.00 54.21 C ATOM 1262 O GLN A 78 5.948 -5.619 -6.225 1.00 12.00 O ATOM 1263 CB GLN A 78 6.766 -3.052 -8.258 1.00 22.13 C ATOM 1264 CG GLN A 78 7.993 -3.857 -8.703 1.00 4.31 C ATOM 1265 CD GLN A 78 8.859 -4.428 -7.587 1.00 21.00 C ATOM 1266 OE1 GLN A 78 9.782 -3.772 -7.119 1.00 20.12 O ATOM 1267 NE2 GLN A 78 8.611 -5.646 -7.189 1.00 42.14 N ATOM 0 H GLN A 78 4.586 -2.004 -7.813 1.00 1.13 H new ATOM 0 HA GLN A 78 5.419 -4.708 -8.516 1.00 34.23 H new ATOM 0 HB2 GLN A 78 6.478 -2.391 -9.075 1.00 22.13 H new ATOM 0 HB3 GLN A 78 7.060 -2.417 -7.423 1.00 22.13 H new ATOM 0 HG2 GLN A 78 7.654 -4.681 -9.330 1.00 4.31 H new ATOM 0 HG3 GLN A 78 8.616 -3.217 -9.327 1.00 4.31 H new ATOM 0 HE21 GLN A 78 7.835 -6.168 -7.597 1.00 42.14 H new ATOM 0 HE22 GLN A 78 9.193 -6.076 -6.470 1.00 42.14 H new ATOM 1276 N PHE A 79 5.375 -3.602 -5.425 1.00 23.24 N ATOM 1277 CA PHE A 79 5.413 -3.985 -4.015 1.00 52.53 C ATOM 1278 C PHE A 79 4.292 -4.986 -3.689 1.00 72.31 C ATOM 1279 O PHE A 79 4.453 -5.885 -2.849 1.00 20.11 O ATOM 1280 CB PHE A 79 5.290 -2.718 -3.140 1.00 10.34 C ATOM 1281 CG PHE A 79 5.246 -2.973 -1.657 1.00 72.40 C ATOM 1282 CD1 PHE A 79 6.373 -3.402 -0.979 1.00 52.04 C ATOM 1283 CD2 PHE A 79 4.070 -2.787 -0.941 1.00 12.21 C ATOM 1284 CE1 PHE A 79 6.330 -3.639 0.374 1.00 24.24 C ATOM 1285 CE2 PHE A 79 4.026 -3.023 0.419 1.00 64.11 C ATOM 1286 CZ PHE A 79 5.161 -3.452 1.078 1.00 33.44 C ATOM 0 H PHE A 79 5.119 -2.627 -5.578 1.00 23.24 H new ATOM 0 HA PHE A 79 6.363 -4.476 -3.803 1.00 52.53 H new ATOM 0 HB2 PHE A 79 6.133 -2.062 -3.356 1.00 10.34 H new ATOM 0 HB3 PHE A 79 4.386 -2.181 -3.429 1.00 10.34 H new ATOM 0 HD1 PHE A 79 7.296 -3.552 -1.519 1.00 52.04 H new ATOM 0 HD2 PHE A 79 3.180 -2.454 -1.454 1.00 12.21 H new ATOM 0 HE1 PHE A 79 7.218 -3.974 0.889 1.00 24.24 H new ATOM 0 HE2 PHE A 79 3.107 -2.872 0.965 1.00 64.11 H new ATOM 0 HZ PHE A 79 5.132 -3.640 2.141 1.00 33.44 H new ATOM 1296 N LEU A 80 3.173 -4.807 -4.343 1.00 21.25 N ATOM 1297 CA LEU A 80 2.008 -5.658 -4.191 1.00 43.52 C ATOM 1298 C LEU A 80 2.226 -7.049 -4.783 1.00 73.41 C ATOM 1299 O LEU A 80 3.143 -7.259 -5.595 1.00 40.35 O ATOM 1300 CB LEU A 80 0.815 -5.006 -4.887 1.00 70.35 C ATOM 1301 CG LEU A 80 0.196 -3.817 -4.195 1.00 21.01 C ATOM 1302 CD1 LEU A 80 -0.748 -3.126 -5.138 1.00 61.22 C ATOM 1303 CD2 LEU A 80 -0.539 -4.262 -2.948 1.00 23.14 C ATOM 0 H LEU A 80 3.038 -4.050 -5.013 1.00 21.25 H new ATOM 0 HA LEU A 80 1.822 -5.774 -3.123 1.00 43.52 H new ATOM 0 HB2 LEU A 80 1.130 -4.694 -5.883 1.00 70.35 H new ATOM 0 HB3 LEU A 80 0.042 -5.763 -5.020 1.00 70.35 H new ATOM 0 HG LEU A 80 0.982 -3.122 -3.901 1.00 21.01 H new ATOM 0 HD11 LEU A 80 -1.196 -2.267 -4.639 1.00 61.22 H new ATOM 0 HD12 LEU A 80 -0.201 -2.790 -6.019 1.00 61.22 H new ATOM 0 HD13 LEU A 80 -1.532 -3.820 -5.441 1.00 61.22 H new ATOM 0 HD21 LEU A 80 -0.981 -3.395 -2.457 1.00 23.14 H new ATOM 0 HD22 LEU A 80 -1.326 -4.965 -3.221 1.00 23.14 H new ATOM 0 HD23 LEU A 80 0.160 -4.747 -2.267 1.00 23.14 H new ATOM 1315 N PRO A 81 1.348 -8.028 -4.408 1.00 73.51 N ATOM 1316 CA PRO A 81 1.356 -9.390 -4.970 1.00 43.24 C ATOM 1317 C PRO A 81 1.198 -9.420 -6.506 1.00 2.15 C ATOM 1318 O PRO A 81 1.307 -10.472 -7.117 1.00 3.41 O ATOM 1319 CB PRO A 81 0.144 -10.078 -4.306 1.00 42.25 C ATOM 1320 CG PRO A 81 -0.646 -8.976 -3.683 1.00 64.41 C ATOM 1321 CD PRO A 81 0.335 -7.911 -3.336 1.00 64.33 C ATOM 0 HA PRO A 81 2.310 -9.881 -4.775 1.00 43.24 H new ATOM 0 HB2 PRO A 81 -0.451 -10.621 -5.041 1.00 42.25 H new ATOM 0 HB3 PRO A 81 0.465 -10.803 -3.558 1.00 42.25 H new ATOM 0 HG2 PRO A 81 -1.402 -8.600 -4.373 1.00 64.41 H new ATOM 0 HG3 PRO A 81 -1.171 -9.327 -2.795 1.00 64.41 H new ATOM 0 HD2 PRO A 81 -0.128 -6.924 -3.324 1.00 64.33 H new ATOM 0 HD3 PRO A 81 0.771 -8.070 -2.350 1.00 64.33 H new ATOM 1329 N GLU A 82 0.958 -8.264 -7.108 1.00 22.43 N ATOM 1330 CA GLU A 82 0.824 -8.125 -8.545 1.00 22.04 C ATOM 1331 C GLU A 82 2.093 -8.552 -9.254 1.00 2.54 C ATOM 1332 O GLU A 82 2.039 -9.289 -10.231 1.00 13.23 O ATOM 1333 CB GLU A 82 0.476 -6.687 -8.914 1.00 71.12 C ATOM 1334 CG GLU A 82 -0.868 -6.242 -8.392 1.00 3.01 C ATOM 1335 CD GLU A 82 -1.973 -7.099 -8.936 1.00 14.22 C ATOM 1336 OE1 GLU A 82 -2.287 -8.137 -8.331 1.00 3.31 O ATOM 1337 OE2 GLU A 82 -2.534 -6.760 -9.987 1.00 73.11 O ATOM 0 H GLU A 82 0.850 -7.385 -6.601 1.00 22.43 H new ATOM 0 HA GLU A 82 0.014 -8.778 -8.870 1.00 22.04 H new ATOM 0 HB2 GLU A 82 1.247 -6.023 -8.523 1.00 71.12 H new ATOM 0 HB3 GLU A 82 0.488 -6.585 -9.999 1.00 71.12 H new ATOM 0 HG2 GLU A 82 -0.871 -6.288 -7.303 1.00 3.01 H new ATOM 0 HG3 GLU A 82 -1.042 -5.202 -8.668 1.00 3.01 H new ATOM 1344 N ALA A 83 3.234 -8.112 -8.740 1.00 60.13 N ATOM 1345 CA ALA A 83 4.522 -8.474 -9.329 1.00 13.34 C ATOM 1346 C ALA A 83 4.863 -9.918 -9.026 1.00 63.31 C ATOM 1347 O ALA A 83 5.607 -10.566 -9.758 1.00 32.32 O ATOM 1348 CB ALA A 83 5.614 -7.570 -8.814 1.00 63.53 C ATOM 0 H ALA A 83 3.297 -7.507 -7.921 1.00 60.13 H new ATOM 0 HA ALA A 83 4.444 -8.352 -10.409 1.00 13.34 H new ATOM 0 HB1 ALA A 83 6.565 -7.855 -9.264 1.00 63.53 H new ATOM 0 HB2 ALA A 83 5.384 -6.537 -9.075 1.00 63.53 H new ATOM 0 HB3 ALA A 83 5.683 -7.664 -7.730 1.00 63.53 H new ATOM 1354 N LYS A 84 4.320 -10.406 -7.935 1.00 0.33 N ATOM 1355 CA LYS A 84 4.544 -11.761 -7.496 1.00 32.34 C ATOM 1356 C LYS A 84 3.714 -12.724 -8.328 1.00 63.11 C ATOM 1357 O LYS A 84 4.125 -13.845 -8.602 1.00 54.23 O ATOM 1358 CB LYS A 84 4.206 -11.866 -6.016 1.00 54.45 C ATOM 1359 CG LYS A 84 5.011 -10.895 -5.163 1.00 13.50 C ATOM 1360 CD LYS A 84 6.487 -11.219 -5.244 1.00 32.33 C ATOM 1361 CE LYS A 84 7.347 -10.251 -4.459 1.00 23.21 C ATOM 1362 NZ LYS A 84 8.771 -10.630 -4.529 1.00 34.50 N ATOM 0 H LYS A 84 3.706 -9.868 -7.323 1.00 0.33 H new ATOM 0 HA LYS A 84 5.591 -12.030 -7.633 1.00 32.34 H new ATOM 0 HB2 LYS A 84 3.143 -11.673 -5.875 1.00 54.45 H new ATOM 0 HB3 LYS A 84 4.393 -12.884 -5.675 1.00 54.45 H new ATOM 0 HG2 LYS A 84 4.837 -9.874 -5.502 1.00 13.50 H new ATOM 0 HG3 LYS A 84 4.677 -10.948 -4.127 1.00 13.50 H new ATOM 0 HD2 LYS A 84 6.653 -12.230 -4.871 1.00 32.33 H new ATOM 0 HD3 LYS A 84 6.799 -11.210 -6.288 1.00 32.33 H new ATOM 0 HE2 LYS A 84 7.216 -9.243 -4.851 1.00 23.21 H new ATOM 0 HE3 LYS A 84 7.023 -10.233 -3.418 1.00 23.21 H new ATOM 0 HZ1 LYS A 84 9.347 -9.905 -4.055 1.00 34.50 H new ATOM 0 HZ2 LYS A 84 8.910 -11.546 -4.057 1.00 34.50 H new ATOM 0 HZ3 LYS A 84 9.061 -10.706 -5.525 1.00 34.50 H new ATOM 1376 N ARG A 85 2.558 -12.290 -8.711 1.00 13.24 N ATOM 1377 CA ARG A 85 1.705 -13.053 -9.580 1.00 44.14 C ATOM 1378 C ARG A 85 1.841 -12.527 -11.001 1.00 30.53 C ATOM 1379 O ARG A 85 2.894 -11.993 -11.371 1.00 54.12 O ATOM 1380 CB ARG A 85 0.245 -13.014 -9.067 1.00 75.02 C ATOM 1381 CG ARG A 85 -0.755 -13.823 -9.893 1.00 0.32 C ATOM 1382 CD ARG A 85 -1.304 -13.029 -11.069 1.00 12.44 C ATOM 1383 NE ARG A 85 -2.100 -13.850 -11.973 1.00 40.42 N ATOM 1384 CZ ARG A 85 -3.055 -13.392 -12.788 1.00 12.11 C ATOM 1385 NH1 ARG A 85 -3.416 -12.100 -12.757 1.00 61.25 N ATOM 1386 NH2 ARG A 85 -3.650 -14.230 -13.632 1.00 30.34 N ATOM 0 H ARG A 85 2.170 -11.389 -8.431 1.00 13.24 H new ATOM 0 HA ARG A 85 2.007 -14.100 -9.582 1.00 44.14 H new ATOM 0 HB2 ARG A 85 0.227 -13.382 -8.041 1.00 75.02 H new ATOM 0 HB3 ARG A 85 -0.086 -11.976 -9.039 1.00 75.02 H new ATOM 0 HG2 ARG A 85 -0.272 -14.728 -10.262 1.00 0.32 H new ATOM 0 HG3 ARG A 85 -1.579 -14.140 -9.254 1.00 0.32 H new ATOM 0 HD2 ARG A 85 -1.916 -12.208 -10.695 1.00 12.44 H new ATOM 0 HD3 ARG A 85 -0.476 -12.584 -11.621 1.00 12.44 H new ATOM 0 HE ARG A 85 -1.913 -14.853 -11.984 1.00 40.42 H new ATOM 0 HH11 ARG A 85 -2.960 -11.459 -12.108 1.00 61.25 H new ATOM 0 HH12 ARG A 85 -4.146 -11.759 -13.383 1.00 61.25 H new ATOM 0 HH21 ARG A 85 -3.376 -15.212 -13.653 1.00 30.34 H new ATOM 0 HH22 ARG A 85 -4.380 -13.890 -14.258 1.00 30.34 H new TER 1400 ARG A 85