USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 509 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 35 LYS NZ :NH3+ -141:sc= 0.239 (180deg=0) USER MOD Set 1.2: A 37 SER OG : rot 140:sc= 0.439 USER MOD Set 2.1: A 13 ASN : amide:sc= -1.88 K(o=-1.9,f=-0.78) USER MOD Set 2.2: A 67 SER OG : rot 170:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=-0.047) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 174:sc= 0 USER MOD Single : A 38 SER OG : rot 150:sc= -0.63 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 50:sc= -1.02 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0365 K(o=-0.036,f=-1.6!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -84:sc= 1.23 USER MOD Single : A 66 TYR OH : rot 56:sc= 0.971 USER MOD Single : A 68 SER OG : rot 84:sc= 0.519 USER MOD Single : A 71 SER OG : rot 58:sc= 0.476 USER MOD Single : A 77 ASN : amide:sc= -1.56! C(o=-1.6!,f=-1.6!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0103 USER MOD Single : A 80 SER OG : rot 56:sc= 0.0863 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.157 K(o=-0.16,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 5 6.915 -8.542 -7.701 1.00 55.13 N ATOM 53 CA GLU A 5 6.444 -9.812 -8.241 1.00 63.21 C ATOM 54 C GLU A 5 7.383 -10.950 -7.851 1.00 22.13 C ATOM 55 O GLU A 5 8.480 -11.080 -8.395 1.00 54.13 O ATOM 56 CB GLU A 5 6.328 -9.732 -9.765 1.00 32.53 C ATOM 57 CG GLU A 5 5.322 -10.709 -10.350 1.00 60.42 C ATOM 58 CD GLU A 5 5.985 -11.880 -11.049 1.00 71.33 C ATOM 59 OE1 GLU A 5 6.512 -12.769 -10.349 1.00 24.13 O ATOM 60 OE2 GLU A 5 5.976 -11.907 -12.298 1.00 33.41 O ATOM 0 HA GLU A 5 5.460 -10.015 -7.819 1.00 63.21 H new ATOM 0 HB2 GLU A 5 6.044 -8.718 -10.047 1.00 32.53 H new ATOM 0 HB3 GLU A 5 7.306 -9.923 -10.206 1.00 32.53 H new ATOM 0 HG2 GLU A 5 4.679 -11.083 -9.553 1.00 60.42 H new ATOM 0 HG3 GLU A 5 4.680 -10.184 -11.058 1.00 60.42 H new ATOM 67 N VAL A 6 6.945 -11.772 -6.903 1.00 33.43 N ATOM 68 CA VAL A 6 7.744 -12.900 -6.439 1.00 4.22 C ATOM 69 C VAL A 6 7.132 -14.225 -6.877 1.00 34.33 C ATOM 70 O VAL A 6 6.025 -14.575 -6.465 1.00 22.34 O ATOM 71 CB VAL A 6 7.886 -12.894 -4.905 1.00 60.11 C ATOM 72 CG1 VAL A 6 8.689 -14.099 -4.438 1.00 55.03 C ATOM 73 CG2 VAL A 6 8.531 -11.599 -4.435 1.00 32.02 C ATOM 0 H VAL A 6 6.041 -11.678 -6.441 1.00 33.43 H new ATOM 0 HA VAL A 6 8.731 -12.794 -6.888 1.00 4.22 H new ATOM 0 HB VAL A 6 6.891 -12.958 -4.465 1.00 60.11 H new ATOM 0 HG11 VAL A 6 8.779 -14.078 -3.352 1.00 55.03 H new ATOM 0 HG12 VAL A 6 8.182 -15.014 -4.742 1.00 55.03 H new ATOM 0 HG13 VAL A 6 9.683 -14.069 -4.885 1.00 55.03 H new ATOM 0 HG21 VAL A 6 8.624 -11.612 -3.349 1.00 32.02 H new ATOM 0 HG22 VAL A 6 9.520 -11.502 -4.882 1.00 32.02 H new ATOM 0 HG23 VAL A 6 7.912 -10.754 -4.736 1.00 32.02 H new ATOM 83 N ILE A 7 7.858 -14.959 -7.713 1.00 52.34 N ATOM 84 CA ILE A 7 7.386 -16.247 -8.206 1.00 1.01 C ATOM 85 C ILE A 7 8.283 -17.382 -7.723 1.00 13.11 C ATOM 86 O ILE A 7 9.429 -17.508 -8.153 1.00 43.11 O ATOM 87 CB ILE A 7 7.327 -16.274 -9.745 1.00 12.04 C ATOM 88 CG1 ILE A 7 7.008 -17.686 -10.240 1.00 23.22 C ATOM 89 CG2 ILE A 7 8.641 -15.784 -10.334 1.00 60.00 C ATOM 90 CD1 ILE A 7 6.791 -17.768 -11.735 1.00 5.14 C ATOM 0 H ILE A 7 8.776 -14.684 -8.063 1.00 52.34 H new ATOM 0 HA ILE A 7 6.380 -16.387 -7.810 1.00 1.01 H new ATOM 0 HB ILE A 7 6.532 -15.606 -10.075 1.00 12.04 H new ATOM 0 HG12 ILE A 7 7.825 -18.353 -9.963 1.00 23.22 H new ATOM 0 HG13 ILE A 7 6.114 -18.047 -9.731 1.00 23.22 H new ATOM 0 HG21 ILE A 7 8.584 -15.809 -11.422 1.00 60.00 H new ATOM 0 HG22 ILE A 7 8.829 -14.762 -10.004 1.00 60.00 H new ATOM 0 HG23 ILE A 7 9.453 -16.429 -9.999 1.00 60.00 H new ATOM 0 HD11 ILE A 7 6.569 -18.798 -12.015 1.00 5.14 H new ATOM 0 HD12 ILE A 7 5.955 -17.128 -12.017 1.00 5.14 H new ATOM 0 HD13 ILE A 7 7.692 -17.438 -12.252 1.00 5.14 H new ATOM 102 N VAL A 8 7.752 -18.208 -6.827 1.00 13.01 N ATOM 103 CA VAL A 8 8.502 -19.335 -6.287 1.00 64.20 C ATOM 104 C VAL A 8 7.707 -20.631 -6.402 1.00 10.31 C ATOM 105 O VAL A 8 6.506 -20.660 -6.130 1.00 64.55 O ATOM 106 CB VAL A 8 8.877 -19.105 -4.811 1.00 12.21 C ATOM 107 CG1 VAL A 8 9.523 -20.350 -4.223 1.00 42.11 C ATOM 108 CG2 VAL A 8 9.798 -17.902 -4.677 1.00 4.10 C ATOM 0 H VAL A 8 6.805 -18.117 -6.460 1.00 13.01 H new ATOM 0 HA VAL A 8 9.415 -19.419 -6.877 1.00 64.20 H new ATOM 0 HB VAL A 8 7.965 -18.900 -4.250 1.00 12.21 H new ATOM 0 HG11 VAL A 8 9.781 -20.168 -3.180 1.00 42.11 H new ATOM 0 HG12 VAL A 8 8.825 -21.185 -4.284 1.00 42.11 H new ATOM 0 HG13 VAL A 8 10.426 -20.590 -4.783 1.00 42.11 H new ATOM 0 HG21 VAL A 8 10.053 -17.754 -3.628 1.00 4.10 H new ATOM 0 HG22 VAL A 8 10.708 -18.075 -5.251 1.00 4.10 H new ATOM 0 HG23 VAL A 8 9.293 -17.013 -5.057 1.00 4.10 H new ATOM 118 N TYR A 9 8.384 -21.700 -6.805 1.00 71.13 N ATOM 119 CA TYR A 9 7.740 -22.999 -6.958 1.00 60.31 C ATOM 120 C TYR A 9 7.780 -23.785 -5.651 1.00 4.53 C ATOM 121 O TYR A 9 8.793 -23.794 -4.951 1.00 52.14 O ATOM 122 CB TYR A 9 8.420 -23.801 -8.069 1.00 21.41 C ATOM 123 CG TYR A 9 8.017 -23.370 -9.461 1.00 4.11 C ATOM 124 CD1 TYR A 9 8.201 -22.059 -9.883 1.00 51.22 C ATOM 125 CD2 TYR A 9 7.453 -24.272 -10.353 1.00 75.44 C ATOM 126 CE1 TYR A 9 7.834 -21.660 -11.154 1.00 11.31 C ATOM 127 CE2 TYR A 9 7.084 -23.883 -11.626 1.00 51.54 C ATOM 128 CZ TYR A 9 7.276 -22.575 -12.022 1.00 23.22 C ATOM 129 OH TYR A 9 6.909 -22.183 -13.289 1.00 1.55 O ATOM 0 H TYR A 9 9.378 -21.693 -7.032 1.00 71.13 H new ATOM 0 HA TYR A 9 6.697 -22.829 -7.227 1.00 60.31 H new ATOM 0 HB2 TYR A 9 9.501 -23.704 -7.966 1.00 21.41 H new ATOM 0 HB3 TYR A 9 8.181 -24.857 -7.941 1.00 21.41 H new ATOM 0 HD1 TYR A 9 8.638 -21.340 -9.206 1.00 51.22 H new ATOM 0 HD2 TYR A 9 7.300 -25.296 -10.046 1.00 75.44 H new ATOM 0 HE1 TYR A 9 7.983 -20.637 -11.466 1.00 11.31 H new ATOM 0 HE2 TYR A 9 6.648 -24.598 -12.307 1.00 51.54 H new ATOM 0 HH TYR A 9 6.533 -22.948 -13.772 1.00 1.55 H new ATOM 139 N GLU A 10 6.671 -24.443 -5.329 1.00 1.54 N ATOM 140 CA GLU A 10 6.579 -25.231 -4.105 1.00 43.23 C ATOM 141 C GLU A 10 6.878 -26.701 -4.382 1.00 61.50 C ATOM 142 O GLU A 10 6.140 -27.588 -3.951 1.00 24.31 O ATOM 143 CB GLU A 10 5.188 -25.090 -3.485 1.00 12.23 C ATOM 144 CG GLU A 10 5.076 -25.698 -2.097 1.00 31.02 C ATOM 145 CD GLU A 10 4.114 -24.939 -1.203 1.00 24.10 C ATOM 146 OE1 GLU A 10 4.410 -23.772 -0.871 1.00 54.33 O ATOM 147 OE2 GLU A 10 3.068 -25.512 -0.835 1.00 53.11 O ATOM 0 H GLU A 10 5.824 -24.446 -5.898 1.00 1.54 H new ATOM 0 HA GLU A 10 7.322 -24.853 -3.402 1.00 43.23 H new ATOM 0 HB2 GLU A 10 4.929 -24.033 -3.431 1.00 12.23 H new ATOM 0 HB3 GLU A 10 4.458 -25.564 -4.140 1.00 12.23 H new ATOM 0 HG2 GLU A 10 4.746 -26.733 -2.184 1.00 31.02 H new ATOM 0 HG3 GLU A 10 6.061 -25.716 -1.632 1.00 31.02 H new ATOM 154 N HIS A 11 7.965 -26.953 -5.105 1.00 1.42 N ATOM 155 CA HIS A 11 8.362 -28.315 -5.440 1.00 25.53 C ATOM 156 C HIS A 11 9.541 -28.315 -6.408 1.00 62.24 C ATOM 157 O HIS A 11 10.144 -27.274 -6.669 1.00 11.33 O ATOM 158 CB HIS A 11 7.186 -29.077 -6.050 1.00 54.24 C ATOM 159 CG HIS A 11 6.762 -30.268 -5.248 1.00 33.21 C ATOM 160 ND1 HIS A 11 5.474 -30.446 -4.788 1.00 71.41 N ATOM 161 CD2 HIS A 11 7.463 -31.346 -4.825 1.00 0.10 C ATOM 162 CE1 HIS A 11 5.402 -31.581 -4.116 1.00 30.24 C ATOM 163 NE2 HIS A 11 6.596 -32.147 -4.124 1.00 14.34 N ATOM 0 H HIS A 11 8.586 -26.231 -5.470 1.00 1.42 H new ATOM 0 HA HIS A 11 8.670 -28.813 -4.521 1.00 25.53 H new ATOM 0 HB2 HIS A 11 6.339 -28.399 -6.153 1.00 54.24 H new ATOM 0 HB3 HIS A 11 7.457 -29.403 -7.054 1.00 54.24 H new ATOM 0 HD2 HIS A 11 8.510 -31.540 -5.005 1.00 0.10 H new ATOM 0 HE1 HIS A 11 4.517 -31.979 -3.641 1.00 30.24 H new ATOM 0 HE2 HIS A 11 6.835 -33.034 -3.681 1.00 14.34 H new ATOM 171 N VAL A 12 9.865 -29.490 -6.939 1.00 23.10 N ATOM 172 CA VAL A 12 10.972 -29.625 -7.879 1.00 75.40 C ATOM 173 C VAL A 12 10.695 -28.857 -9.167 1.00 25.52 C ATOM 174 O VAL A 12 9.551 -28.518 -9.466 1.00 25.12 O ATOM 175 CB VAL A 12 11.239 -31.103 -8.223 1.00 13.14 C ATOM 176 CG1 VAL A 12 12.594 -31.258 -8.896 1.00 31.25 C ATOM 177 CG2 VAL A 12 11.154 -31.964 -6.971 1.00 74.15 C ATOM 0 H VAL A 12 9.377 -30.362 -6.734 1.00 23.10 H new ATOM 0 HA VAL A 12 11.854 -29.208 -7.393 1.00 75.40 H new ATOM 0 HB VAL A 12 10.473 -31.440 -8.921 1.00 13.14 H new ATOM 0 HG11 VAL A 12 12.765 -32.308 -9.132 1.00 31.25 H new ATOM 0 HG12 VAL A 12 12.613 -30.672 -9.815 1.00 31.25 H new ATOM 0 HG13 VAL A 12 13.376 -30.905 -8.224 1.00 31.25 H new ATOM 0 HG21 VAL A 12 11.345 -33.005 -7.232 1.00 74.15 H new ATOM 0 HG22 VAL A 12 11.897 -31.629 -6.248 1.00 74.15 H new ATOM 0 HG23 VAL A 12 10.159 -31.876 -6.536 1.00 74.15 H new ATOM 187 N ASN A 13 11.752 -28.587 -9.926 1.00 62.22 N ATOM 188 CA ASN A 13 11.624 -27.859 -11.183 1.00 51.31 C ATOM 189 C ASN A 13 11.313 -28.811 -12.334 1.00 41.42 C ATOM 190 O ASN A 13 12.007 -28.820 -13.351 1.00 3.00 O ATOM 191 CB ASN A 13 12.909 -27.083 -11.481 1.00 33.13 C ATOM 192 CG ASN A 13 14.111 -27.994 -11.638 1.00 32.23 C ATOM 193 OD1 ASN A 13 14.494 -28.348 -12.753 1.00 30.11 O ATOM 194 ND2 ASN A 13 14.712 -28.379 -10.518 1.00 11.22 N ATOM 0 H ASN A 13 12.706 -28.861 -9.693 1.00 62.22 H new ATOM 0 HA ASN A 13 10.798 -27.155 -11.084 1.00 51.31 H new ATOM 0 HB2 ASN A 13 12.776 -26.501 -12.393 1.00 33.13 H new ATOM 0 HB3 ASN A 13 13.097 -26.374 -10.675 1.00 33.13 H new ATOM 0 HD21 ASN A 13 15.526 -28.993 -10.561 1.00 11.22 H new ATOM 0 HD22 ASN A 13 14.360 -28.061 -9.615 1.00 11.22 H new ATOM 201 N PHE A 14 10.265 -29.610 -12.167 1.00 53.01 N ATOM 202 CA PHE A 14 9.861 -30.566 -13.192 1.00 25.24 C ATOM 203 C PHE A 14 8.597 -31.311 -12.773 1.00 50.31 C ATOM 204 O PHE A 14 8.379 -32.456 -13.166 1.00 53.23 O ATOM 205 CB PHE A 14 10.990 -31.565 -13.460 1.00 15.43 C ATOM 206 CG PHE A 14 10.985 -32.740 -12.525 1.00 35.13 C ATOM 207 CD1 PHE A 14 10.885 -32.553 -11.156 1.00 11.34 C ATOM 208 CD2 PHE A 14 11.080 -34.033 -13.015 1.00 40.50 C ATOM 209 CE1 PHE A 14 10.880 -33.632 -10.292 1.00 74.23 C ATOM 210 CE2 PHE A 14 11.075 -35.116 -12.157 1.00 12.22 C ATOM 211 CZ PHE A 14 10.976 -34.915 -10.794 1.00 33.42 C ATOM 0 H PHE A 14 9.680 -29.615 -11.332 1.00 53.01 H new ATOM 0 HA PHE A 14 9.649 -30.013 -14.107 1.00 25.24 H new ATOM 0 HB2 PHE A 14 10.909 -31.926 -14.485 1.00 15.43 H new ATOM 0 HB3 PHE A 14 11.947 -31.050 -13.378 1.00 15.43 H new ATOM 0 HD1 PHE A 14 10.810 -31.552 -10.759 1.00 11.34 H new ATOM 0 HD2 PHE A 14 11.159 -34.196 -14.080 1.00 40.50 H new ATOM 0 HE1 PHE A 14 10.801 -33.472 -9.227 1.00 74.23 H new ATOM 0 HE2 PHE A 14 11.148 -36.119 -12.552 1.00 12.22 H new ATOM 0 HZ PHE A 14 10.974 -35.760 -10.122 1.00 33.42 H new ATOM 221 N GLY A 15 7.766 -30.651 -11.972 1.00 5.45 N ATOM 222 CA GLY A 15 6.535 -31.265 -11.512 1.00 15.42 C ATOM 223 C GLY A 15 6.045 -30.674 -10.204 1.00 41.04 C ATOM 224 O GLY A 15 5.734 -31.403 -9.264 1.00 22.14 O ATOM 0 H GLY A 15 7.924 -29.702 -11.634 1.00 5.45 H new ATOM 0 HA2 GLY A 15 5.765 -31.142 -12.274 1.00 15.42 H new ATOM 0 HA3 GLY A 15 6.692 -32.336 -11.387 1.00 15.42 H new ATOM 228 N GLY A 16 5.978 -29.347 -10.144 1.00 72.33 N ATOM 229 CA GLY A 16 5.524 -28.682 -8.937 1.00 51.43 C ATOM 230 C GLY A 16 4.673 -27.463 -9.233 1.00 13.43 C ATOM 231 O GLY A 16 4.557 -27.041 -10.384 1.00 11.55 O ATOM 0 H GLY A 16 6.230 -28.722 -10.909 1.00 72.33 H new ATOM 0 HA2 GLY A 16 4.950 -29.384 -8.333 1.00 51.43 H new ATOM 0 HA3 GLY A 16 6.388 -28.383 -8.343 1.00 51.43 H new ATOM 235 N LYS A 17 4.073 -26.895 -8.192 1.00 21.24 N ATOM 236 CA LYS A 17 3.227 -25.717 -8.344 1.00 21.54 C ATOM 237 C LYS A 17 4.036 -24.438 -8.155 1.00 64.34 C ATOM 238 O LYS A 17 5.141 -24.466 -7.613 1.00 11.51 O ATOM 239 CB LYS A 17 2.076 -25.758 -7.336 1.00 54.13 C ATOM 240 CG LYS A 17 2.498 -25.422 -5.916 1.00 75.04 C ATOM 241 CD LYS A 17 1.882 -24.115 -5.446 1.00 44.54 C ATOM 242 CE LYS A 17 0.506 -24.333 -4.837 1.00 71.33 C ATOM 243 NZ LYS A 17 0.542 -24.274 -3.350 1.00 12.12 N ATOM 0 H LYS A 17 4.157 -27.232 -7.233 1.00 21.24 H new ATOM 0 HA LYS A 17 2.818 -25.722 -9.355 1.00 21.54 H new ATOM 0 HB2 LYS A 17 1.303 -25.057 -7.652 1.00 54.13 H new ATOM 0 HB3 LYS A 17 1.629 -26.752 -7.348 1.00 54.13 H new ATOM 0 HG2 LYS A 17 2.199 -26.228 -5.246 1.00 75.04 H new ATOM 0 HG3 LYS A 17 3.585 -25.352 -5.865 1.00 75.04 H new ATOM 0 HD2 LYS A 17 2.536 -23.647 -4.710 1.00 44.54 H new ATOM 0 HD3 LYS A 17 1.804 -23.426 -6.287 1.00 44.54 H new ATOM 0 HE2 LYS A 17 -0.182 -23.576 -5.214 1.00 71.33 H new ATOM 0 HE3 LYS A 17 0.118 -25.302 -5.153 1.00 71.33 H new ATOM 0 HZ1 LYS A 17 -0.415 -24.427 -2.973 1.00 12.12 H new ATOM 0 HZ2 LYS A 17 1.179 -25.013 -2.989 1.00 12.12 H new ATOM 0 HZ3 LYS A 17 0.888 -23.341 -3.048 1.00 12.12 H new ATOM 257 N SER A 18 3.479 -23.319 -8.606 1.00 13.11 N ATOM 258 CA SER A 18 4.150 -22.030 -8.489 1.00 41.30 C ATOM 259 C SER A 18 3.141 -20.912 -8.243 1.00 21.10 C ATOM 260 O SER A 18 1.976 -21.015 -8.629 1.00 25.41 O ATOM 261 CB SER A 18 4.957 -21.734 -9.755 1.00 32.40 C ATOM 262 OG SER A 18 4.169 -21.050 -10.714 1.00 0.35 O ATOM 0 H SER A 18 2.564 -23.279 -9.056 1.00 13.11 H new ATOM 0 HA SER A 18 4.828 -22.078 -7.637 1.00 41.30 H new ATOM 0 HB2 SER A 18 5.830 -21.133 -9.501 1.00 32.40 H new ATOM 0 HB3 SER A 18 5.326 -22.667 -10.181 1.00 32.40 H new ATOM 0 HG SER A 18 4.733 -20.781 -11.469 1.00 0.35 H new ATOM 268 N PHE A 19 3.597 -19.844 -7.598 1.00 11.35 N ATOM 269 CA PHE A 19 2.735 -18.706 -7.298 1.00 60.11 C ATOM 270 C PHE A 19 3.497 -17.392 -7.447 1.00 21.51 C ATOM 271 O PHE A 19 4.493 -17.159 -6.762 1.00 64.43 O ATOM 272 CB PHE A 19 2.172 -18.825 -5.880 1.00 45.41 C ATOM 273 CG PHE A 19 3.102 -19.513 -4.922 1.00 41.10 C ATOM 274 CD1 PHE A 19 4.147 -18.820 -4.331 1.00 72.45 C ATOM 275 CD2 PHE A 19 2.932 -20.853 -4.612 1.00 55.44 C ATOM 276 CE1 PHE A 19 5.004 -19.451 -3.449 1.00 51.30 C ATOM 277 CE2 PHE A 19 3.785 -21.488 -3.730 1.00 61.04 C ATOM 278 CZ PHE A 19 4.823 -20.787 -3.149 1.00 43.40 C ATOM 0 H PHE A 19 4.558 -19.742 -7.273 1.00 11.35 H new ATOM 0 HA PHE A 19 1.910 -18.710 -8.010 1.00 60.11 H new ATOM 0 HB2 PHE A 19 1.947 -17.828 -5.502 1.00 45.41 H new ATOM 0 HB3 PHE A 19 1.230 -19.373 -5.916 1.00 45.41 H new ATOM 0 HD1 PHE A 19 4.293 -17.775 -4.562 1.00 72.45 H new ATOM 0 HD2 PHE A 19 2.123 -21.407 -5.065 1.00 55.44 H new ATOM 0 HE1 PHE A 19 5.814 -18.900 -2.995 1.00 51.30 H new ATOM 0 HE2 PHE A 19 3.640 -22.532 -3.495 1.00 61.04 H new ATOM 0 HZ PHE A 19 5.492 -21.282 -2.461 1.00 43.40 H new ATOM 288 N ASP A 20 3.021 -16.538 -8.346 1.00 64.43 N ATOM 289 CA ASP A 20 3.657 -15.248 -8.586 1.00 15.32 C ATOM 290 C ASP A 20 2.877 -14.125 -7.909 1.00 2.44 C ATOM 291 O ASP A 20 2.700 -13.048 -8.478 1.00 20.02 O ATOM 292 CB ASP A 20 3.762 -14.978 -10.088 1.00 25.24 C ATOM 293 CG ASP A 20 2.429 -15.113 -10.796 1.00 13.15 C ATOM 294 OD1 ASP A 20 1.637 -14.148 -10.757 1.00 31.20 O ATOM 295 OD2 ASP A 20 2.176 -16.183 -11.387 1.00 61.53 O ATOM 0 H ASP A 20 2.197 -16.716 -8.921 1.00 64.43 H new ATOM 0 HA ASP A 20 4.660 -15.280 -8.160 1.00 15.32 H new ATOM 0 HB2 ASP A 20 4.154 -13.973 -10.247 1.00 25.24 H new ATOM 0 HB3 ASP A 20 4.476 -15.673 -10.530 1.00 25.24 H new ATOM 473 N LYS A 35 12.969 -28.240 2.998 1.00 2.14 N ATOM 474 CA LYS A 35 13.084 -27.166 2.019 1.00 13.42 C ATOM 475 C LYS A 35 13.743 -27.665 0.738 1.00 65.21 C ATOM 476 O LYS A 35 14.962 -27.834 0.681 1.00 31.05 O ATOM 477 CB LYS A 35 13.890 -26.002 2.600 1.00 10.23 C ATOM 478 CG LYS A 35 14.261 -24.946 1.573 1.00 32.03 C ATOM 479 CD LYS A 35 13.033 -24.412 0.854 1.00 63.50 C ATOM 480 CE LYS A 35 13.036 -24.801 -0.617 1.00 3.24 C ATOM 481 NZ LYS A 35 13.412 -23.656 -1.492 1.00 31.02 N ATOM 0 HA LYS A 35 12.079 -26.819 1.778 1.00 13.42 H new ATOM 0 HB2 LYS A 35 13.313 -25.534 3.398 1.00 10.23 H new ATOM 0 HB3 LYS A 35 14.801 -26.392 3.053 1.00 10.23 H new ATOM 0 HG2 LYS A 35 14.781 -24.125 2.066 1.00 32.03 H new ATOM 0 HG3 LYS A 35 14.953 -25.371 0.846 1.00 32.03 H new ATOM 0 HD2 LYS A 35 12.133 -24.799 1.332 1.00 63.50 H new ATOM 0 HD3 LYS A 35 13.000 -23.326 0.944 1.00 63.50 H new ATOM 0 HE2 LYS A 35 13.735 -25.623 -0.774 1.00 3.24 H new ATOM 0 HE3 LYS A 35 12.048 -25.164 -0.899 1.00 3.24 H new ATOM 0 HZ1 LYS A 35 12.830 -23.672 -2.354 1.00 31.02 H new ATOM 0 HZ2 LYS A 35 13.252 -22.763 -0.983 1.00 31.02 H new ATOM 0 HZ3 LYS A 35 14.416 -23.732 -1.751 1.00 31.02 H new ATOM 495 N ILE A 36 12.932 -27.898 -0.288 1.00 30.40 N ATOM 496 CA ILE A 36 13.438 -28.376 -1.569 1.00 3.13 C ATOM 497 C ILE A 36 12.520 -27.959 -2.713 1.00 21.33 C ATOM 498 O ILE A 36 11.452 -28.540 -2.908 1.00 44.22 O ATOM 499 CB ILE A 36 13.589 -29.909 -1.578 1.00 51.44 C ATOM 500 CG1 ILE A 36 12.323 -30.571 -1.030 1.00 40.24 C ATOM 501 CG2 ILE A 36 14.806 -30.326 -0.766 1.00 73.44 C ATOM 502 CD1 ILE A 36 11.792 -31.680 -1.911 1.00 30.32 C ATOM 0 H ILE A 36 11.921 -27.764 -0.257 1.00 30.40 H new ATOM 0 HA ILE A 36 14.419 -27.922 -1.710 1.00 3.13 H new ATOM 0 HB ILE A 36 13.733 -30.239 -2.607 1.00 51.44 H new ATOM 0 HG12 ILE A 36 12.533 -30.974 -0.039 1.00 40.24 H new ATOM 0 HG13 ILE A 36 11.550 -29.813 -0.908 1.00 40.24 H new ATOM 0 HG21 ILE A 36 14.899 -31.412 -0.782 1.00 73.44 H new ATOM 0 HG22 ILE A 36 15.702 -29.879 -1.197 1.00 73.44 H new ATOM 0 HG23 ILE A 36 14.690 -29.987 0.263 1.00 73.44 H new ATOM 0 HD11 ILE A 36 10.894 -32.104 -1.461 1.00 30.32 H new ATOM 0 HD12 ILE A 36 11.550 -31.279 -2.895 1.00 30.32 H new ATOM 0 HD13 ILE A 36 12.549 -32.458 -2.013 1.00 30.32 H new ATOM 514 N SER A 37 12.944 -26.950 -3.467 1.00 61.52 N ATOM 515 CA SER A 37 12.159 -26.454 -4.591 1.00 62.35 C ATOM 516 C SER A 37 12.989 -25.515 -5.461 1.00 65.33 C ATOM 517 O SER A 37 14.211 -25.448 -5.330 1.00 5.42 O ATOM 518 CB SER A 37 10.909 -25.730 -4.088 1.00 4.31 C ATOM 519 OG SER A 37 11.247 -24.502 -3.465 1.00 64.53 O ATOM 0 H SER A 37 13.827 -26.460 -3.320 1.00 61.52 H new ATOM 0 HA SER A 37 11.856 -27.309 -5.196 1.00 62.35 H new ATOM 0 HB2 SER A 37 10.232 -25.544 -4.922 1.00 4.31 H new ATOM 0 HB3 SER A 37 10.376 -26.366 -3.381 1.00 4.31 H new ATOM 0 HG SER A 37 10.589 -23.819 -3.710 1.00 64.53 H new ATOM 525 N SER A 38 12.316 -24.792 -6.350 1.00 61.24 N ATOM 526 CA SER A 38 12.991 -23.859 -7.245 1.00 73.44 C ATOM 527 C SER A 38 12.633 -22.418 -6.898 1.00 13.33 C ATOM 528 O SER A 38 11.528 -22.136 -6.431 1.00 64.22 O ATOM 529 CB SER A 38 12.616 -24.153 -8.699 1.00 61.34 C ATOM 530 OG SER A 38 12.065 -25.452 -8.831 1.00 53.04 O ATOM 0 H SER A 38 11.304 -24.834 -6.470 1.00 61.24 H new ATOM 0 HA SER A 38 14.066 -23.988 -7.121 1.00 73.44 H new ATOM 0 HB2 SER A 38 11.897 -23.412 -9.049 1.00 61.34 H new ATOM 0 HB3 SER A 38 13.500 -24.063 -9.331 1.00 61.34 H new ATOM 0 HG SER A 38 11.424 -25.462 -9.572 1.00 53.04 H new ATOM 536 N ILE A 39 13.574 -21.509 -7.128 1.00 43.11 N ATOM 537 CA ILE A 39 13.359 -20.096 -6.841 1.00 34.45 C ATOM 538 C ILE A 39 13.517 -19.249 -8.098 1.00 52.14 C ATOM 539 O ILE A 39 14.525 -19.339 -8.799 1.00 22.41 O ATOM 540 CB ILE A 39 14.335 -19.585 -5.765 1.00 21.43 C ATOM 541 CG1 ILE A 39 13.782 -19.870 -4.367 1.00 25.13 C ATOM 542 CG2 ILE A 39 14.591 -18.097 -5.946 1.00 1.31 C ATOM 543 CD1 ILE A 39 13.474 -21.331 -4.125 1.00 30.11 C ATOM 0 H ILE A 39 14.493 -21.726 -7.513 1.00 43.11 H new ATOM 0 HA ILE A 39 12.339 -20.002 -6.469 1.00 34.45 H new ATOM 0 HB ILE A 39 15.282 -20.113 -5.875 1.00 21.43 H new ATOM 0 HG12 ILE A 39 14.504 -19.531 -3.624 1.00 25.13 H new ATOM 0 HG13 ILE A 39 12.874 -19.286 -4.218 1.00 25.13 H new ATOM 0 HG21 ILE A 39 15.283 -17.751 -5.178 1.00 1.31 H new ATOM 0 HG22 ILE A 39 15.023 -17.919 -6.931 1.00 1.31 H new ATOM 0 HG23 ILE A 39 13.651 -17.553 -5.859 1.00 1.31 H new ATOM 0 HD11 ILE A 39 13.086 -21.459 -3.114 1.00 30.11 H new ATOM 0 HD12 ILE A 39 12.729 -21.670 -4.845 1.00 30.11 H new ATOM 0 HD13 ILE A 39 14.385 -21.919 -4.241 1.00 30.11 H new ATOM 555 N LYS A 40 12.514 -18.423 -8.379 1.00 22.33 N ATOM 556 CA LYS A 40 12.542 -17.556 -9.550 1.00 54.24 C ATOM 557 C LYS A 40 12.286 -16.104 -9.159 1.00 2.05 C ATOM 558 O LYS A 40 11.362 -15.808 -8.401 1.00 71.30 O ATOM 559 CB LYS A 40 11.497 -18.011 -10.572 1.00 12.22 C ATOM 560 CG LYS A 40 11.875 -17.697 -12.009 1.00 75.02 C ATOM 561 CD LYS A 40 10.649 -17.395 -12.855 1.00 34.04 C ATOM 562 CE LYS A 40 10.952 -17.519 -14.340 1.00 13.20 C ATOM 563 NZ LYS A 40 11.118 -16.187 -14.985 1.00 42.00 N ATOM 0 H LYS A 40 11.671 -18.336 -7.811 1.00 22.33 H new ATOM 0 HA LYS A 40 13.534 -17.624 -9.997 1.00 54.24 H new ATOM 0 HB2 LYS A 40 11.346 -19.086 -10.471 1.00 12.22 H new ATOM 0 HB3 LYS A 40 10.545 -17.533 -10.343 1.00 12.22 H new ATOM 0 HG2 LYS A 40 12.552 -16.843 -12.030 1.00 75.02 H new ATOM 0 HG3 LYS A 40 12.415 -18.542 -12.437 1.00 75.02 H new ATOM 0 HD2 LYS A 40 9.844 -18.080 -12.588 1.00 34.04 H new ATOM 0 HD3 LYS A 40 10.295 -16.387 -12.638 1.00 34.04 H new ATOM 0 HE2 LYS A 40 11.861 -18.105 -14.478 1.00 13.20 H new ATOM 0 HE3 LYS A 40 10.145 -18.062 -14.831 1.00 13.20 H new ATOM 0 HZ1 LYS A 40 11.323 -16.314 -15.997 1.00 42.00 H new ATOM 0 HZ2 LYS A 40 10.242 -15.637 -14.876 1.00 42.00 H new ATOM 0 HZ3 LYS A 40 11.905 -15.678 -14.533 1.00 42.00 H new ATOM 577 N VAL A 41 13.110 -15.201 -9.680 1.00 65.04 N ATOM 578 CA VAL A 41 12.972 -13.780 -9.387 1.00 50.40 C ATOM 579 C VAL A 41 13.305 -12.931 -10.609 1.00 61.21 C ATOM 580 O VAL A 41 14.256 -13.218 -11.338 1.00 15.35 O ATOM 581 CB VAL A 41 13.882 -13.356 -8.218 1.00 72.45 C ATOM 582 CG1 VAL A 41 15.341 -13.630 -8.551 1.00 74.11 C ATOM 583 CG2 VAL A 41 13.669 -11.888 -7.883 1.00 43.11 C ATOM 0 H VAL A 41 13.881 -15.429 -10.308 1.00 65.04 H new ATOM 0 HA VAL A 41 11.932 -13.615 -9.106 1.00 50.40 H new ATOM 0 HB VAL A 41 13.618 -13.947 -7.341 1.00 72.45 H new ATOM 0 HG11 VAL A 41 15.969 -13.324 -7.714 1.00 74.11 H new ATOM 0 HG12 VAL A 41 15.478 -14.695 -8.737 1.00 74.11 H new ATOM 0 HG13 VAL A 41 15.623 -13.067 -9.441 1.00 74.11 H new ATOM 0 HG21 VAL A 41 14.320 -11.606 -7.055 1.00 43.11 H new ATOM 0 HG22 VAL A 41 13.905 -11.278 -8.755 1.00 43.11 H new ATOM 0 HG23 VAL A 41 12.629 -11.727 -7.598 1.00 43.11 H new ATOM 593 N LYS A 42 12.517 -11.884 -10.829 1.00 32.45 N ATOM 594 CA LYS A 42 12.728 -10.991 -11.962 1.00 33.34 C ATOM 595 C LYS A 42 12.432 -9.545 -11.577 1.00 32.21 C ATOM 596 O LYS A 42 11.844 -8.794 -12.355 1.00 14.03 O ATOM 597 CB LYS A 42 11.842 -11.409 -13.138 1.00 3.40 C ATOM 598 CG LYS A 42 12.387 -12.592 -13.919 1.00 74.01 C ATOM 599 CD LYS A 42 13.469 -12.165 -14.896 1.00 5.12 C ATOM 600 CE LYS A 42 14.818 -12.766 -14.531 1.00 30.41 C ATOM 601 NZ LYS A 42 14.905 -14.204 -14.909 1.00 34.22 N ATOM 0 H LYS A 42 11.725 -11.633 -10.237 1.00 32.45 H new ATOM 0 HA LYS A 42 13.774 -11.062 -12.260 1.00 33.34 H new ATOM 0 HB2 LYS A 42 10.849 -11.658 -12.764 1.00 3.40 H new ATOM 0 HB3 LYS A 42 11.725 -10.561 -13.813 1.00 3.40 H new ATOM 0 HG2 LYS A 42 12.791 -13.331 -13.227 1.00 74.01 H new ATOM 0 HG3 LYS A 42 11.575 -13.075 -14.462 1.00 74.01 H new ATOM 0 HD2 LYS A 42 13.193 -12.474 -15.904 1.00 5.12 H new ATOM 0 HD3 LYS A 42 13.544 -11.078 -14.905 1.00 5.12 H new ATOM 0 HE2 LYS A 42 15.611 -12.210 -15.032 1.00 30.41 H new ATOM 0 HE3 LYS A 42 14.984 -12.662 -13.459 1.00 30.41 H new ATOM 0 HZ1 LYS A 42 15.839 -14.577 -14.644 1.00 34.22 H new ATOM 0 HZ2 LYS A 42 14.165 -14.739 -14.412 1.00 34.22 H new ATOM 0 HZ3 LYS A 42 14.772 -14.302 -15.936 1.00 34.22 H new ATOM 615 N SER A 43 12.845 -9.161 -10.373 1.00 73.51 N ATOM 616 CA SER A 43 12.622 -7.806 -9.885 1.00 14.32 C ATOM 617 C SER A 43 13.204 -7.629 -8.486 1.00 23.42 C ATOM 618 O SER A 43 13.028 -8.481 -7.616 1.00 33.03 O ATOM 619 CB SER A 43 11.126 -7.486 -9.870 1.00 54.24 C ATOM 620 OG SER A 43 10.785 -6.692 -8.747 1.00 35.30 O ATOM 0 H SER A 43 13.336 -9.770 -9.718 1.00 73.51 H new ATOM 0 HA SER A 43 13.128 -7.116 -10.561 1.00 14.32 H new ATOM 0 HB2 SER A 43 10.854 -6.962 -10.786 1.00 54.24 H new ATOM 0 HB3 SER A 43 10.553 -8.413 -9.851 1.00 54.24 H new ATOM 0 HG SER A 43 9.824 -6.500 -8.762 1.00 35.30 H new ATOM 626 N GLY A 44 13.901 -6.516 -8.277 1.00 71.15 N ATOM 627 CA GLY A 44 14.500 -6.247 -6.983 1.00 72.03 C ATOM 628 C GLY A 44 15.349 -7.400 -6.487 1.00 5.24 C ATOM 629 O GLY A 44 15.787 -8.242 -7.271 1.00 64.11 O ATOM 0 H GLY A 44 14.061 -5.796 -8.981 1.00 71.15 H new ATOM 0 HA2 GLY A 44 15.115 -5.350 -7.050 1.00 72.03 H new ATOM 0 HA3 GLY A 44 13.713 -6.041 -6.258 1.00 72.03 H new ATOM 633 N THR A 45 15.586 -7.439 -5.179 1.00 12.51 N ATOM 634 CA THR A 45 16.391 -8.495 -4.579 1.00 2.53 C ATOM 635 C THR A 45 15.877 -8.856 -3.190 1.00 5.54 C ATOM 636 O THR A 45 15.303 -8.019 -2.493 1.00 54.35 O ATOM 637 CB THR A 45 17.872 -8.082 -4.475 1.00 14.11 C ATOM 638 OG1 THR A 45 18.038 -7.113 -3.434 1.00 24.34 O ATOM 639 CG2 THR A 45 18.367 -7.507 -5.793 1.00 52.14 C ATOM 0 H THR A 45 15.231 -6.751 -4.515 1.00 12.51 H new ATOM 0 HA THR A 45 16.309 -9.365 -5.231 1.00 2.53 H new ATOM 0 HB THR A 45 18.459 -8.970 -4.241 1.00 14.11 H new ATOM 0 HG1 THR A 45 18.982 -6.857 -3.373 1.00 24.34 H new ATOM 0 HG21 THR A 45 19.415 -7.223 -5.695 1.00 52.14 H new ATOM 0 HG22 THR A 45 18.266 -8.257 -6.578 1.00 52.14 H new ATOM 0 HG23 THR A 45 17.775 -6.629 -6.052 1.00 52.14 H new ATOM 647 N TRP A 46 16.089 -10.105 -2.792 1.00 51.03 N ATOM 648 CA TRP A 46 15.647 -10.576 -1.484 1.00 62.05 C ATOM 649 C TRP A 46 16.814 -11.153 -0.691 1.00 62.21 C ATOM 650 O TRP A 46 17.931 -11.258 -1.199 1.00 54.22 O ATOM 651 CB TRP A 46 14.551 -11.631 -1.643 1.00 51.21 C ATOM 652 CG TRP A 46 13.583 -11.321 -2.745 1.00 45.01 C ATOM 653 CD1 TRP A 46 13.050 -10.101 -3.048 1.00 40.14 C ATOM 654 CD2 TRP A 46 13.033 -12.247 -3.688 1.00 64.22 C ATOM 655 NE1 TRP A 46 12.201 -10.213 -4.123 1.00 44.13 N ATOM 656 CE2 TRP A 46 12.175 -11.519 -4.535 1.00 35.23 C ATOM 657 CE3 TRP A 46 13.184 -13.620 -3.901 1.00 43.03 C ATOM 658 CZ2 TRP A 46 11.470 -12.120 -5.575 1.00 2.22 C ATOM 659 CZ3 TRP A 46 12.484 -14.215 -4.934 1.00 4.42 C ATOM 660 CH2 TRP A 46 11.637 -13.465 -5.761 1.00 32.35 C ATOM 0 H TRP A 46 16.564 -10.810 -3.356 1.00 51.03 H new ATOM 0 HA TRP A 46 15.245 -9.724 -0.935 1.00 62.05 H new ATOM 0 HB2 TRP A 46 15.014 -12.599 -1.837 1.00 51.21 H new ATOM 0 HB3 TRP A 46 14.005 -11.721 -0.704 1.00 51.21 H new ATOM 0 HD1 TRP A 46 13.264 -9.183 -2.521 1.00 40.14 H new ATOM 0 HE1 TRP A 46 11.675 -9.448 -4.545 1.00 44.13 H new ATOM 0 HE3 TRP A 46 13.836 -14.206 -3.270 1.00 43.03 H new ATOM 0 HZ2 TRP A 46 10.815 -11.545 -6.212 1.00 2.22 H new ATOM 0 HZ3 TRP A 46 12.592 -15.276 -5.107 1.00 4.42 H new ATOM 0 HH2 TRP A 46 11.105 -13.959 -6.561 1.00 32.35 H new ATOM 671 N ARG A 47 16.549 -11.527 0.556 1.00 11.45 N ATOM 672 CA ARG A 47 17.578 -12.093 1.420 1.00 44.51 C ATOM 673 C ARG A 47 17.182 -13.487 1.897 1.00 12.41 C ATOM 674 O ARG A 47 16.149 -13.662 2.544 1.00 22.32 O ATOM 675 CB ARG A 47 17.823 -11.180 2.623 1.00 32.24 C ATOM 676 CG ARG A 47 18.339 -9.801 2.247 1.00 12.02 C ATOM 677 CD ARG A 47 17.227 -8.764 2.274 1.00 40.20 C ATOM 678 NE ARG A 47 17.728 -7.433 2.609 1.00 35.44 N ATOM 679 CZ ARG A 47 18.318 -6.628 1.733 1.00 12.14 C ATOM 680 NH1 ARG A 47 18.480 -7.016 0.476 1.00 41.40 N ATOM 681 NH2 ARG A 47 18.747 -5.431 2.115 1.00 74.53 N ATOM 0 H ARG A 47 15.630 -11.448 0.991 1.00 11.45 H new ATOM 0 HA ARG A 47 18.498 -12.174 0.841 1.00 44.51 H new ATOM 0 HB2 ARG A 47 16.893 -11.071 3.181 1.00 32.24 H new ATOM 0 HB3 ARG A 47 18.541 -11.657 3.290 1.00 32.24 H new ATOM 0 HG2 ARG A 47 19.130 -9.506 2.937 1.00 12.02 H new ATOM 0 HG3 ARG A 47 18.782 -9.836 1.251 1.00 12.02 H new ATOM 0 HD2 ARG A 47 16.737 -8.733 1.301 1.00 40.20 H new ATOM 0 HD3 ARG A 47 16.472 -9.061 3.002 1.00 40.20 H new ATOM 0 HE ARG A 47 17.619 -7.104 3.568 1.00 35.44 H new ATOM 0 HH11 ARG A 47 18.151 -7.935 0.179 1.00 41.40 H new ATOM 0 HH12 ARG A 47 18.933 -6.396 -0.195 1.00 41.40 H new ATOM 0 HH21 ARG A 47 18.623 -5.130 3.082 1.00 74.53 H new ATOM 0 HH22 ARG A 47 19.200 -4.813 1.442 1.00 74.53 H new ATOM 695 N PHE A 48 18.009 -14.475 1.573 1.00 51.13 N ATOM 696 CA PHE A 48 17.744 -15.854 1.967 1.00 41.34 C ATOM 697 C PHE A 48 18.692 -16.293 3.079 1.00 62.35 C ATOM 698 O PHE A 48 19.912 -16.186 2.948 1.00 13.31 O ATOM 699 CB PHE A 48 17.885 -16.787 0.762 1.00 3.41 C ATOM 700 CG PHE A 48 16.575 -17.135 0.117 1.00 75.02 C ATOM 701 CD1 PHE A 48 15.814 -18.193 0.589 1.00 2.32 C ATOM 702 CD2 PHE A 48 16.102 -16.405 -0.962 1.00 4.32 C ATOM 703 CE1 PHE A 48 14.608 -18.516 -0.003 1.00 41.33 C ATOM 704 CE2 PHE A 48 14.897 -16.723 -1.558 1.00 52.22 C ATOM 705 CZ PHE A 48 14.148 -17.779 -1.078 1.00 22.25 C ATOM 0 H PHE A 48 18.868 -14.347 1.039 1.00 51.13 H new ATOM 0 HA PHE A 48 16.722 -15.909 2.342 1.00 41.34 H new ATOM 0 HB2 PHE A 48 18.532 -16.316 0.022 1.00 3.41 H new ATOM 0 HB3 PHE A 48 18.380 -17.705 1.079 1.00 3.41 H new ATOM 0 HD1 PHE A 48 16.168 -18.772 1.429 1.00 2.32 H new ATOM 0 HD2 PHE A 48 16.683 -15.577 -1.342 1.00 4.32 H new ATOM 0 HE1 PHE A 48 14.025 -19.344 0.374 1.00 41.33 H new ATOM 0 HE2 PHE A 48 14.541 -16.146 -2.399 1.00 52.22 H new ATOM 0 HZ PHE A 48 13.205 -18.029 -1.541 1.00 22.25 H new ATOM 715 N TYR A 49 18.123 -16.788 4.172 1.00 73.12 N ATOM 716 CA TYR A 49 18.916 -17.241 5.308 1.00 33.33 C ATOM 717 C TYR A 49 18.337 -18.523 5.900 1.00 15.43 C ATOM 718 O TYR A 49 17.120 -18.697 5.959 1.00 51.02 O ATOM 719 CB TYR A 49 18.977 -16.153 6.381 1.00 15.31 C ATOM 720 CG TYR A 49 17.845 -15.153 6.294 1.00 25.12 C ATOM 721 CD1 TYR A 49 16.640 -15.380 6.948 1.00 5.41 C ATOM 722 CD2 TYR A 49 17.981 -13.983 5.558 1.00 41.22 C ATOM 723 CE1 TYR A 49 15.604 -14.469 6.871 1.00 30.51 C ATOM 724 CE2 TYR A 49 16.951 -13.067 5.476 1.00 14.55 C ATOM 725 CZ TYR A 49 15.764 -13.314 6.135 1.00 60.44 C ATOM 726 OH TYR A 49 14.735 -12.405 6.055 1.00 54.32 O ATOM 0 H TYR A 49 17.115 -16.886 4.295 1.00 73.12 H new ATOM 0 HA TYR A 49 19.926 -17.449 4.954 1.00 33.33 H new ATOM 0 HB2 TYR A 49 18.961 -16.623 7.364 1.00 15.31 H new ATOM 0 HB3 TYR A 49 19.926 -15.623 6.296 1.00 15.31 H new ATOM 0 HD1 TYR A 49 16.511 -16.283 7.526 1.00 5.41 H new ATOM 0 HD2 TYR A 49 18.908 -13.786 5.041 1.00 41.22 H new ATOM 0 HE1 TYR A 49 14.674 -14.661 7.385 1.00 30.51 H new ATOM 0 HE2 TYR A 49 17.074 -12.162 4.899 1.00 14.55 H new ATOM 0 HH TYR A 49 14.403 -12.206 6.955 1.00 54.32 H new ATOM 736 N GLU A 50 19.218 -19.416 6.339 1.00 44.34 N ATOM 737 CA GLU A 50 18.795 -20.681 6.926 1.00 23.32 C ATOM 738 C GLU A 50 19.079 -20.707 8.425 1.00 12.04 C ATOM 739 O GLU A 50 20.141 -21.153 8.860 1.00 43.53 O ATOM 740 CB GLU A 50 19.507 -21.850 6.241 1.00 33.24 C ATOM 741 CG GLU A 50 20.972 -21.580 5.943 1.00 31.41 C ATOM 742 CD GLU A 50 21.820 -22.836 6.004 1.00 5.41 C ATOM 743 OE1 GLU A 50 21.777 -23.532 7.039 1.00 34.43 O ATOM 744 OE2 GLU A 50 22.528 -23.121 5.016 1.00 44.05 O ATOM 0 H GLU A 50 20.229 -19.287 6.299 1.00 44.34 H new ATOM 0 HA GLU A 50 17.720 -20.781 6.775 1.00 23.32 H new ATOM 0 HB2 GLU A 50 19.431 -22.733 6.876 1.00 33.24 H new ATOM 0 HB3 GLU A 50 18.992 -22.082 5.309 1.00 33.24 H new ATOM 0 HG2 GLU A 50 21.061 -21.133 4.953 1.00 31.41 H new ATOM 0 HG3 GLU A 50 21.356 -20.852 6.657 1.00 31.41 H new ATOM 751 N TYR A 51 18.122 -20.226 9.211 1.00 53.44 N ATOM 752 CA TYR A 51 18.269 -20.190 10.661 1.00 73.12 C ATOM 753 C TYR A 51 17.122 -19.417 11.306 1.00 63.12 C ATOM 754 O TYR A 51 16.139 -19.079 10.646 1.00 11.24 O ATOM 755 CB TYR A 51 19.606 -19.554 11.043 1.00 22.14 C ATOM 756 CG TYR A 51 20.552 -20.506 11.739 1.00 24.42 C ATOM 757 CD1 TYR A 51 20.215 -21.089 12.955 1.00 53.54 C ATOM 758 CD2 TYR A 51 21.784 -20.825 11.180 1.00 0.21 C ATOM 759 CE1 TYR A 51 21.077 -21.958 13.594 1.00 75.40 C ATOM 760 CE2 TYR A 51 22.652 -21.695 11.812 1.00 54.13 C ATOM 761 CZ TYR A 51 22.294 -22.259 13.019 1.00 54.45 C ATOM 762 OH TYR A 51 23.154 -23.126 13.652 1.00 43.24 O ATOM 0 H TYR A 51 17.236 -19.855 8.868 1.00 53.44 H new ATOM 0 HA TYR A 51 18.244 -21.216 11.029 1.00 73.12 H new ATOM 0 HB2 TYR A 51 20.087 -19.170 10.143 1.00 22.14 H new ATOM 0 HB3 TYR A 51 19.420 -18.700 11.694 1.00 22.14 H new ATOM 0 HD1 TYR A 51 19.262 -20.858 13.408 1.00 53.54 H new ATOM 0 HD2 TYR A 51 22.068 -20.385 10.235 1.00 0.21 H new ATOM 0 HE1 TYR A 51 20.800 -22.400 14.540 1.00 75.40 H new ATOM 0 HE2 TYR A 51 23.605 -21.932 11.363 1.00 54.13 H new ATOM 0 HH TYR A 51 23.966 -23.232 13.114 1.00 43.24 H new ATOM 772 N ILE A 52 17.257 -19.141 12.598 1.00 2.14 N ATOM 773 CA ILE A 52 16.235 -18.407 13.333 1.00 54.40 C ATOM 774 C ILE A 52 16.183 -16.947 12.893 1.00 22.35 C ATOM 775 O ILE A 52 17.028 -16.490 12.126 1.00 44.25 O ATOM 776 CB ILE A 52 16.481 -18.465 14.852 1.00 22.21 C ATOM 777 CG1 ILE A 52 17.855 -17.882 15.191 1.00 54.24 C ATOM 778 CG2 ILE A 52 16.370 -19.898 15.352 1.00 44.22 C ATOM 779 CD1 ILE A 52 18.164 -17.884 16.671 1.00 32.13 C ATOM 0 H ILE A 52 18.064 -19.415 13.158 1.00 2.14 H new ATOM 0 HA ILE A 52 15.282 -18.886 13.110 1.00 54.40 H new ATOM 0 HB ILE A 52 15.720 -17.866 15.352 1.00 22.21 H new ATOM 0 HG12 ILE A 52 18.622 -18.453 14.667 1.00 54.24 H new ATOM 0 HG13 ILE A 52 17.909 -16.859 14.818 1.00 54.24 H new ATOM 0 HG21 ILE A 52 16.546 -19.923 16.427 1.00 44.22 H new ATOM 0 HG22 ILE A 52 15.372 -20.281 15.139 1.00 44.22 H new ATOM 0 HG23 ILE A 52 17.112 -20.518 14.848 1.00 44.22 H new ATOM 0 HD11 ILE A 52 19.153 -17.457 16.837 1.00 32.13 H new ATOM 0 HD12 ILE A 52 17.419 -17.289 17.199 1.00 32.13 H new ATOM 0 HD13 ILE A 52 18.143 -18.907 17.046 1.00 32.13 H new ATOM 791 N ASN A 53 15.186 -16.221 13.388 1.00 40.11 N ATOM 792 CA ASN A 53 15.025 -14.812 13.047 1.00 12.02 C ATOM 793 C ASN A 53 16.003 -13.946 13.836 1.00 72.32 C ATOM 794 O ASN A 53 15.600 -13.022 14.542 1.00 13.20 O ATOM 795 CB ASN A 53 13.589 -14.360 13.323 1.00 23.11 C ATOM 796 CG ASN A 53 13.186 -13.168 12.477 1.00 12.24 C ATOM 797 OD1 ASN A 53 13.977 -12.661 11.682 1.00 52.22 O ATOM 798 ND2 ASN A 53 11.949 -12.714 12.646 1.00 23.14 N ATOM 0 H ASN A 53 14.478 -16.584 14.026 1.00 40.11 H new ATOM 0 HA ASN A 53 15.238 -14.694 11.985 1.00 12.02 H new ATOM 0 HB2 ASN A 53 12.907 -15.188 13.129 1.00 23.11 H new ATOM 0 HB3 ASN A 53 13.488 -14.104 14.378 1.00 23.11 H new ATOM 0 HD21 ASN A 53 11.621 -11.914 12.105 1.00 23.14 H new ATOM 0 HD22 ASN A 53 11.327 -13.166 13.317 1.00 23.14 H new ATOM 805 N TYR A 54 17.289 -14.252 13.710 1.00 62.13 N ATOM 806 CA TYR A 54 18.325 -13.504 14.412 1.00 41.44 C ATOM 807 C TYR A 54 19.635 -13.521 13.629 1.00 54.41 C ATOM 808 O TYR A 54 20.334 -12.512 13.545 1.00 22.11 O ATOM 809 CB TYR A 54 18.546 -14.085 15.809 1.00 33.20 C ATOM 810 CG TYR A 54 17.346 -13.946 16.719 1.00 4.21 C ATOM 811 CD1 TYR A 54 17.176 -12.816 17.509 1.00 43.40 C ATOM 812 CD2 TYR A 54 16.383 -14.944 16.788 1.00 35.33 C ATOM 813 CE1 TYR A 54 16.082 -12.685 18.342 1.00 5.44 C ATOM 814 CE2 TYR A 54 15.285 -14.821 17.618 1.00 73.22 C ATOM 815 CZ TYR A 54 15.139 -13.690 18.393 1.00 4.22 C ATOM 816 OH TYR A 54 14.048 -13.562 19.221 1.00 34.41 O ATOM 0 H TYR A 54 17.639 -15.013 13.128 1.00 62.13 H new ATOM 0 HA TYR A 54 17.991 -12.471 14.504 1.00 41.44 H new ATOM 0 HB2 TYR A 54 18.802 -15.141 15.718 1.00 33.20 H new ATOM 0 HB3 TYR A 54 19.400 -13.588 16.269 1.00 33.20 H new ATOM 0 HD1 TYR A 54 17.912 -12.026 17.471 1.00 43.40 H new ATOM 0 HD2 TYR A 54 16.494 -15.831 16.183 1.00 35.33 H new ATOM 0 HE1 TYR A 54 15.966 -11.800 18.950 1.00 5.44 H new ATOM 0 HE2 TYR A 54 14.545 -15.607 17.659 1.00 73.22 H new ATOM 0 HH TYR A 54 13.479 -14.356 19.138 1.00 34.41 H new ATOM 826 N GLY A 55 19.959 -14.676 13.056 1.00 42.20 N ATOM 827 CA GLY A 55 21.183 -14.804 12.287 1.00 61.22 C ATOM 828 C GLY A 55 21.052 -15.799 11.150 1.00 12.52 C ATOM 829 O GLY A 55 19.997 -15.902 10.525 1.00 44.31 O ATOM 0 H GLY A 55 19.396 -15.525 13.111 1.00 42.20 H new ATOM 0 HA2 GLY A 55 21.458 -13.830 11.883 1.00 61.22 H new ATOM 0 HA3 GLY A 55 21.992 -15.116 12.947 1.00 61.22 H new ATOM 833 N GLY A 56 22.127 -16.532 10.880 1.00 25.23 N ATOM 834 CA GLY A 56 22.108 -17.512 9.810 1.00 35.21 C ATOM 835 C GLY A 56 22.931 -17.080 8.613 1.00 23.42 C ATOM 836 O GLY A 56 23.470 -15.974 8.589 1.00 52.45 O ATOM 0 H GLY A 56 23.012 -16.465 11.383 1.00 25.23 H new ATOM 0 HA2 GLY A 56 22.489 -18.462 10.185 1.00 35.21 H new ATOM 0 HA3 GLY A 56 21.078 -17.683 9.496 1.00 35.21 H new ATOM 840 N ARG A 57 23.031 -17.956 7.619 1.00 64.33 N ATOM 841 CA ARG A 57 23.798 -17.661 6.414 1.00 1.35 C ATOM 842 C ARG A 57 23.090 -16.610 5.564 1.00 64.35 C ATOM 843 O ARG A 57 22.100 -16.904 4.894 1.00 53.21 O ATOM 844 CB ARG A 57 24.014 -18.935 5.596 1.00 52.12 C ATOM 845 CG ARG A 57 24.776 -18.705 4.301 1.00 71.20 C ATOM 846 CD ARG A 57 23.931 -19.059 3.087 1.00 23.51 C ATOM 847 NE ARG A 57 24.752 -19.463 1.948 1.00 33.03 N ATOM 848 CZ ARG A 57 24.249 -19.868 0.787 1.00 2.03 C ATOM 849 NH1 ARG A 57 22.936 -19.923 0.612 1.00 1.54 N ATOM 850 NH2 ARG A 57 25.061 -20.219 -0.202 1.00 52.01 N ATOM 0 H ARG A 57 22.591 -18.876 7.624 1.00 64.33 H new ATOM 0 HA ARG A 57 24.767 -17.265 6.718 1.00 1.35 H new ATOM 0 HB2 ARG A 57 24.557 -19.659 6.203 1.00 52.12 H new ATOM 0 HB3 ARG A 57 23.045 -19.376 5.364 1.00 52.12 H new ATOM 0 HG2 ARG A 57 25.084 -17.661 4.239 1.00 71.20 H new ATOM 0 HG3 ARG A 57 25.685 -19.306 4.301 1.00 71.20 H new ATOM 0 HD2 ARG A 57 23.246 -19.867 3.345 1.00 23.51 H new ATOM 0 HD3 ARG A 57 23.320 -18.200 2.807 1.00 23.51 H new ATOM 0 HE ARG A 57 25.766 -19.432 2.050 1.00 33.03 H new ATOM 0 HH11 ARG A 57 22.309 -19.654 1.370 1.00 1.54 H new ATOM 0 HH12 ARG A 57 22.553 -20.234 -0.281 1.00 1.54 H new ATOM 0 HH21 ARG A 57 26.072 -20.178 -0.071 1.00 52.01 H new ATOM 0 HH22 ARG A 57 24.674 -20.530 -1.093 1.00 52.01 H new ATOM 864 N TYR A 58 23.605 -15.386 5.595 1.00 21.23 N ATOM 865 CA TYR A 58 23.021 -14.291 4.830 1.00 71.44 C ATOM 866 C TYR A 58 23.386 -14.404 3.353 1.00 42.14 C ATOM 867 O TYR A 58 24.529 -14.160 2.964 1.00 34.41 O ATOM 868 CB TYR A 58 23.494 -12.946 5.382 1.00 14.32 C ATOM 869 CG TYR A 58 23.222 -11.782 4.456 1.00 15.33 C ATOM 870 CD1 TYR A 58 22.012 -11.673 3.781 1.00 21.13 C ATOM 871 CD2 TYR A 58 24.174 -10.790 4.257 1.00 1.34 C ATOM 872 CE1 TYR A 58 21.760 -10.612 2.934 1.00 52.21 C ATOM 873 CE2 TYR A 58 23.930 -9.724 3.413 1.00 12.10 C ATOM 874 CZ TYR A 58 22.722 -9.640 2.753 1.00 14.32 C ATOM 875 OH TYR A 58 22.474 -8.580 1.911 1.00 75.10 O ATOM 0 H TYR A 58 24.426 -15.127 6.142 1.00 21.23 H new ATOM 0 HA TYR A 58 21.937 -14.353 4.924 1.00 71.44 H new ATOM 0 HB2 TYR A 58 23.003 -12.762 6.337 1.00 14.32 H new ATOM 0 HB3 TYR A 58 24.565 -13.000 5.579 1.00 14.32 H new ATOM 0 HD1 TYR A 58 21.256 -12.431 3.921 1.00 21.13 H new ATOM 0 HD2 TYR A 58 25.122 -10.853 4.771 1.00 1.34 H new ATOM 0 HE1 TYR A 58 20.815 -10.543 2.416 1.00 52.21 H new ATOM 0 HE2 TYR A 58 24.681 -8.961 3.271 1.00 12.10 H new ATOM 0 HH TYR A 58 22.674 -8.842 0.988 1.00 75.10 H new ATOM 885 N TRP A 59 22.407 -14.774 2.535 1.00 44.11 N ATOM 886 CA TRP A 59 22.624 -14.918 1.100 1.00 63.42 C ATOM 887 C TRP A 59 21.453 -14.343 0.311 1.00 31.15 C ATOM 888 O TRP A 59 20.375 -14.936 0.262 1.00 63.44 O ATOM 889 CB TRP A 59 22.823 -16.391 0.739 1.00 24.51 C ATOM 890 CG TRP A 59 22.402 -16.723 -0.661 1.00 10.54 C ATOM 891 CD1 TRP A 59 22.956 -16.251 -1.816 1.00 70.24 C ATOM 892 CD2 TRP A 59 21.336 -17.595 -1.051 1.00 22.31 C ATOM 893 NE1 TRP A 59 22.299 -16.778 -2.902 1.00 33.31 N ATOM 894 CE2 TRP A 59 21.302 -17.607 -2.459 1.00 54.51 C ATOM 895 CE3 TRP A 59 20.409 -18.370 -0.348 1.00 43.22 C ATOM 896 CZ2 TRP A 59 20.376 -18.361 -3.175 1.00 34.15 C ATOM 897 CZ3 TRP A 59 19.491 -19.118 -1.060 1.00 12.22 C ATOM 898 CH2 TRP A 59 19.480 -19.110 -2.461 1.00 13.11 C ATOM 0 H TRP A 59 21.456 -14.980 2.841 1.00 44.11 H new ATOM 0 HA TRP A 59 23.523 -14.361 0.837 1.00 63.42 H new ATOM 0 HB2 TRP A 59 23.874 -16.650 0.865 1.00 24.51 H new ATOM 0 HB3 TRP A 59 22.257 -17.008 1.437 1.00 24.51 H new ATOM 0 HD1 TRP A 59 23.788 -15.565 -1.869 1.00 70.24 H new ATOM 0 HE1 TRP A 59 22.518 -16.584 -3.879 1.00 33.31 H new ATOM 0 HE3 TRP A 59 20.410 -18.384 0.732 1.00 43.22 H new ATOM 0 HZ2 TRP A 59 20.365 -18.355 -4.255 1.00 34.15 H new ATOM 0 HZ3 TRP A 59 18.769 -19.719 -0.527 1.00 12.22 H new ATOM 0 HH2 TRP A 59 18.750 -19.707 -2.988 1.00 13.11 H new ATOM 909 N ASP A 60 21.670 -13.186 -0.303 1.00 5.30 N ATOM 910 CA ASP A 60 20.632 -12.531 -1.090 1.00 42.05 C ATOM 911 C ASP A 60 20.667 -13.008 -2.539 1.00 43.42 C ATOM 912 O ASP A 60 21.739 -13.200 -3.115 1.00 41.41 O ATOM 913 CB ASP A 60 20.803 -11.012 -1.036 1.00 35.00 C ATOM 914 CG ASP A 60 22.239 -10.582 -1.259 1.00 61.12 C ATOM 915 OD1 ASP A 60 22.801 -10.920 -2.322 1.00 54.41 O ATOM 916 OD2 ASP A 60 22.802 -9.909 -0.371 1.00 2.25 O ATOM 0 H ASP A 60 22.556 -12.682 -0.271 1.00 5.30 H new ATOM 0 HA ASP A 60 19.665 -12.795 -0.662 1.00 42.05 H new ATOM 0 HB2 ASP A 60 20.167 -10.551 -1.792 1.00 35.00 H new ATOM 0 HB3 ASP A 60 20.463 -10.645 -0.067 1.00 35.00 H new ATOM 921 N LEU A 61 19.489 -13.198 -3.123 1.00 1.24 N ATOM 922 CA LEU A 61 19.384 -13.653 -4.504 1.00 62.35 C ATOM 923 C LEU A 61 19.118 -12.482 -5.445 1.00 64.31 C ATOM 924 O LEU A 61 18.608 -11.443 -5.030 1.00 10.21 O ATOM 925 CB LEU A 61 18.269 -14.692 -4.637 1.00 11.24 C ATOM 926 CG LEU A 61 16.894 -14.153 -5.034 1.00 31.24 C ATOM 927 CD1 LEU A 61 15.919 -15.297 -5.266 1.00 22.33 C ATOM 928 CD2 LEU A 61 16.364 -13.206 -3.967 1.00 33.53 C ATOM 0 H LEU A 61 18.593 -13.044 -2.661 1.00 1.24 H new ATOM 0 HA LEU A 61 20.333 -14.111 -4.782 1.00 62.35 H new ATOM 0 HB2 LEU A 61 18.575 -15.431 -5.377 1.00 11.24 H new ATOM 0 HB3 LEU A 61 18.171 -15.215 -3.686 1.00 11.24 H new ATOM 0 HG LEU A 61 16.998 -13.597 -5.966 1.00 31.24 H new ATOM 0 HD11 LEU A 61 14.946 -14.894 -5.548 1.00 22.33 H new ATOM 0 HD12 LEU A 61 16.292 -15.937 -6.066 1.00 22.33 H new ATOM 0 HD13 LEU A 61 15.819 -15.881 -4.351 1.00 22.33 H new ATOM 0 HD21 LEU A 61 15.385 -12.832 -4.266 1.00 33.53 H new ATOM 0 HD22 LEU A 61 16.275 -13.738 -3.020 1.00 33.53 H new ATOM 0 HD23 LEU A 61 17.052 -12.369 -3.850 1.00 33.53 H new ATOM 940 N GLY A 62 19.467 -12.660 -6.716 1.00 54.31 N ATOM 941 CA GLY A 62 19.256 -11.611 -7.696 1.00 41.53 C ATOM 942 C GLY A 62 18.583 -12.120 -8.955 1.00 41.04 C ATOM 943 O GLY A 62 18.158 -13.273 -9.035 1.00 11.33 O ATOM 0 H GLY A 62 19.892 -13.511 -7.084 1.00 54.31 H new ATOM 0 HA2 GLY A 62 18.645 -10.823 -7.255 1.00 41.53 H new ATOM 0 HA3 GLY A 62 20.215 -11.163 -7.956 1.00 41.53 H new ATOM 947 N PRO A 63 18.478 -11.248 -9.969 1.00 14.21 N ATOM 948 CA PRO A 63 17.851 -11.593 -11.248 1.00 60.24 C ATOM 949 C PRO A 63 18.328 -12.940 -11.782 1.00 55.45 C ATOM 950 O PRO A 63 19.420 -13.047 -12.338 1.00 53.45 O ATOM 951 CB PRO A 63 18.296 -10.461 -12.178 1.00 71.41 C ATOM 952 CG PRO A 63 18.548 -9.305 -11.273 1.00 61.04 C ATOM 953 CD PRO A 63 18.962 -9.858 -9.944 1.00 43.51 C ATOM 0 HA PRO A 63 16.769 -11.689 -11.159 1.00 60.24 H new ATOM 0 HB2 PRO A 63 19.194 -10.734 -12.732 1.00 71.41 H new ATOM 0 HB3 PRO A 63 17.527 -10.227 -12.914 1.00 71.41 H new ATOM 0 HG2 PRO A 63 19.328 -8.661 -11.681 1.00 61.04 H new ATOM 0 HG3 PRO A 63 17.651 -8.694 -11.172 1.00 61.04 H new ATOM 0 HD2 PRO A 63 20.043 -9.814 -9.813 1.00 43.51 H new ATOM 0 HD3 PRO A 63 18.518 -9.296 -9.122 1.00 43.51 H new ATOM 961 N GLY A 64 17.500 -13.966 -11.610 1.00 60.11 N ATOM 962 CA GLY A 64 17.855 -15.292 -12.081 1.00 31.22 C ATOM 963 C GLY A 64 17.079 -16.385 -11.373 1.00 62.42 C ATOM 964 O GLY A 64 16.583 -16.185 -10.265 1.00 53.34 O ATOM 0 H GLY A 64 16.590 -13.903 -11.153 1.00 60.11 H new ATOM 0 HA2 GLY A 64 17.670 -15.355 -13.153 1.00 31.22 H new ATOM 0 HA3 GLY A 64 18.923 -15.454 -11.932 1.00 31.22 H new ATOM 968 N GLU A 65 16.973 -17.545 -12.015 1.00 45.44 N ATOM 969 CA GLU A 65 16.250 -18.672 -11.440 1.00 71.54 C ATOM 970 C GLU A 65 17.183 -19.858 -11.211 1.00 42.21 C ATOM 971 O GLU A 65 18.144 -20.058 -11.955 1.00 33.52 O ATOM 972 CB GLU A 65 15.096 -19.087 -12.356 1.00 64.32 C ATOM 973 CG GLU A 65 14.388 -20.355 -11.907 1.00 45.44 C ATOM 974 CD GLU A 65 15.023 -21.609 -12.475 1.00 71.51 C ATOM 975 OE1 GLU A 65 15.296 -21.638 -13.693 1.00 61.01 O ATOM 976 OE2 GLU A 65 15.246 -22.563 -11.700 1.00 62.22 O ATOM 0 H GLU A 65 17.379 -17.728 -12.933 1.00 45.44 H new ATOM 0 HA GLU A 65 15.846 -18.358 -10.477 1.00 71.54 H new ATOM 0 HB2 GLU A 65 14.371 -18.274 -12.405 1.00 64.32 H new ATOM 0 HB3 GLU A 65 15.479 -19.233 -13.366 1.00 64.32 H new ATOM 0 HG2 GLU A 65 14.400 -20.407 -10.818 1.00 45.44 H new ATOM 0 HG3 GLU A 65 13.343 -20.311 -12.213 1.00 45.44 H new ATOM 983 N TYR A 66 16.894 -20.639 -10.177 1.00 30.24 N ATOM 984 CA TYR A 66 17.708 -21.803 -9.847 1.00 2.25 C ATOM 985 C TYR A 66 16.932 -22.779 -8.967 1.00 45.21 C ATOM 986 O TYR A 66 15.946 -22.409 -8.330 1.00 4.21 O ATOM 987 CB TYR A 66 18.992 -21.369 -9.137 1.00 14.44 C ATOM 988 CG TYR A 66 18.760 -20.372 -8.024 1.00 4.53 C ATOM 989 CD1 TYR A 66 18.082 -20.736 -6.867 1.00 41.03 C ATOM 990 CD2 TYR A 66 19.221 -19.065 -8.129 1.00 3.25 C ATOM 991 CE1 TYR A 66 17.868 -19.828 -5.849 1.00 10.04 C ATOM 992 CE2 TYR A 66 19.013 -18.150 -7.114 1.00 61.41 C ATOM 993 CZ TYR A 66 18.335 -18.537 -5.976 1.00 45.44 C ATOM 994 OH TYR A 66 18.125 -17.630 -4.963 1.00 45.52 O ATOM 0 H TYR A 66 16.102 -20.488 -9.552 1.00 30.24 H new ATOM 0 HA TYR A 66 17.968 -22.308 -10.777 1.00 2.25 H new ATOM 0 HB2 TYR A 66 19.486 -22.250 -8.727 1.00 14.44 H new ATOM 0 HB3 TYR A 66 19.672 -20.933 -9.868 1.00 14.44 H new ATOM 0 HD1 TYR A 66 17.716 -21.747 -6.762 1.00 41.03 H new ATOM 0 HD2 TYR A 66 19.751 -18.759 -9.019 1.00 3.25 H new ATOM 0 HE1 TYR A 66 17.337 -20.128 -4.957 1.00 10.04 H new ATOM 0 HE2 TYR A 66 19.379 -17.138 -7.211 1.00 61.41 H new ATOM 0 HH TYR A 66 18.488 -17.985 -4.125 1.00 45.52 H new ATOM 1004 N SER A 67 17.386 -24.028 -8.938 1.00 3.34 N ATOM 1005 CA SER A 67 16.734 -25.059 -8.139 1.00 63.34 C ATOM 1006 C SER A 67 17.657 -25.551 -7.029 1.00 24.13 C ATOM 1007 O SER A 67 18.290 -26.600 -7.151 1.00 42.22 O ATOM 1008 CB SER A 67 16.316 -26.233 -9.027 1.00 40.24 C ATOM 1009 OG SER A 67 17.214 -26.398 -10.111 1.00 41.31 O ATOM 0 H SER A 67 18.202 -24.350 -9.458 1.00 3.34 H new ATOM 0 HA SER A 67 15.846 -24.623 -7.682 1.00 63.34 H new ATOM 0 HB2 SER A 67 16.284 -27.148 -8.435 1.00 40.24 H new ATOM 0 HB3 SER A 67 15.309 -26.064 -9.408 1.00 40.24 H new ATOM 0 HG SER A 67 17.023 -27.243 -10.568 1.00 41.31 H new ATOM 1015 N SER A 68 17.729 -24.785 -5.945 1.00 34.34 N ATOM 1016 CA SER A 68 18.577 -25.140 -4.813 1.00 12.14 C ATOM 1017 C SER A 68 17.842 -26.071 -3.854 1.00 34.43 C ATOM 1018 O SER A 68 17.254 -25.628 -2.867 1.00 3.21 O ATOM 1019 CB SER A 68 19.028 -23.880 -4.072 1.00 10.41 C ATOM 1020 OG SER A 68 19.580 -22.931 -4.968 1.00 73.05 O ATOM 0 H SER A 68 17.210 -23.915 -5.827 1.00 34.34 H new ATOM 0 HA SER A 68 19.454 -25.661 -5.197 1.00 12.14 H new ATOM 0 HB2 SER A 68 18.180 -23.439 -3.548 1.00 10.41 H new ATOM 0 HB3 SER A 68 19.768 -24.144 -3.316 1.00 10.41 H new ATOM 0 HG SER A 68 18.858 -22.409 -5.377 1.00 73.05 H new ATOM 1026 N VAL A 69 17.879 -27.366 -4.152 1.00 33.33 N ATOM 1027 CA VAL A 69 17.218 -28.362 -3.317 1.00 34.13 C ATOM 1028 C VAL A 69 18.155 -28.879 -2.231 1.00 50.12 C ATOM 1029 O VAL A 69 17.746 -29.640 -1.355 1.00 55.22 O ATOM 1030 CB VAL A 69 16.715 -29.553 -4.155 1.00 14.43 C ATOM 1031 CG1 VAL A 69 15.859 -29.066 -5.314 1.00 54.11 C ATOM 1032 CG2 VAL A 69 17.886 -30.382 -4.658 1.00 22.32 C ATOM 0 H VAL A 69 18.360 -27.750 -4.966 1.00 33.33 H new ATOM 0 HA VAL A 69 16.365 -27.868 -2.852 1.00 34.13 H new ATOM 0 HB VAL A 69 16.097 -30.187 -3.520 1.00 14.43 H new ATOM 0 HG11 VAL A 69 15.513 -29.921 -5.895 1.00 54.11 H new ATOM 0 HG12 VAL A 69 15.000 -28.518 -4.927 1.00 54.11 H new ATOM 0 HG13 VAL A 69 16.450 -28.409 -5.952 1.00 54.11 H new ATOM 0 HG21 VAL A 69 17.512 -31.219 -5.248 1.00 22.32 H new ATOM 0 HG22 VAL A 69 18.532 -29.761 -5.278 1.00 22.32 H new ATOM 0 HG23 VAL A 69 18.454 -30.762 -3.809 1.00 22.32 H new ATOM 1042 N GLU A 70 19.415 -28.459 -2.296 1.00 32.51 N ATOM 1043 CA GLU A 70 20.411 -28.881 -1.318 1.00 13.14 C ATOM 1044 C GLU A 70 21.626 -27.959 -1.346 1.00 40.55 C ATOM 1045 O GLU A 70 22.738 -28.389 -1.652 1.00 41.21 O ATOM 1046 CB GLU A 70 20.845 -30.323 -1.588 1.00 32.13 C ATOM 1047 CG GLU A 70 21.349 -30.552 -3.003 1.00 20.24 C ATOM 1048 CD GLU A 70 21.304 -32.012 -3.409 1.00 24.54 C ATOM 1049 OE1 GLU A 70 22.291 -32.732 -3.144 1.00 15.44 O ATOM 1050 OE2 GLU A 70 20.284 -32.436 -3.991 1.00 64.11 O ATOM 0 H GLU A 70 19.770 -27.828 -3.015 1.00 32.51 H new ATOM 0 HA GLU A 70 19.957 -28.825 -0.329 1.00 13.14 H new ATOM 0 HB2 GLU A 70 21.631 -30.595 -0.883 1.00 32.13 H new ATOM 0 HB3 GLU A 70 20.003 -30.988 -1.399 1.00 32.13 H new ATOM 0 HG2 GLU A 70 20.747 -29.967 -3.698 1.00 20.24 H new ATOM 0 HG3 GLU A 70 22.373 -30.188 -3.083 1.00 20.24 H new ATOM 1057 N SER A 71 21.405 -26.688 -1.027 1.00 14.54 N ATOM 1058 CA SER A 71 22.480 -25.703 -1.020 1.00 12.52 C ATOM 1059 C SER A 71 21.956 -24.329 -0.612 1.00 13.01 C ATOM 1060 O SER A 71 22.654 -23.555 0.042 1.00 21.22 O ATOM 1061 CB SER A 71 23.135 -25.622 -2.400 1.00 53.31 C ATOM 1062 OG SER A 71 24.401 -26.258 -2.402 1.00 0.32 O ATOM 0 H SER A 71 20.491 -26.316 -0.770 1.00 14.54 H new ATOM 0 HA SER A 71 23.225 -26.020 -0.290 1.00 12.52 H new ATOM 0 HB2 SER A 71 22.488 -26.091 -3.141 1.00 53.31 H new ATOM 0 HB3 SER A 71 23.249 -24.578 -2.691 1.00 53.31 H new ATOM 0 HG SER A 71 24.297 -27.195 -2.134 1.00 0.32 H new ATOM 1068 N ALA A 72 20.721 -24.034 -1.004 1.00 14.34 N ATOM 1069 CA ALA A 72 20.101 -22.755 -0.678 1.00 31.22 C ATOM 1070 C ALA A 72 20.214 -22.454 0.813 1.00 62.32 C ATOM 1071 O ALA A 72 20.600 -21.354 1.206 1.00 21.54 O ATOM 1072 CB ALA A 72 18.642 -22.751 -1.110 1.00 0.51 C ATOM 0 H ALA A 72 20.130 -24.663 -1.548 1.00 14.34 H new ATOM 0 HA ALA A 72 20.632 -21.973 -1.221 1.00 31.22 H new ATOM 0 HB1 ALA A 72 18.191 -21.790 -0.861 1.00 0.51 H new ATOM 0 HB2 ALA A 72 18.581 -22.912 -2.186 1.00 0.51 H new ATOM 0 HB3 ALA A 72 18.107 -23.548 -0.593 1.00 0.51 H new ATOM 1078 N GLY A 73 19.874 -23.440 1.638 1.00 2.45 N ATOM 1079 CA GLY A 73 19.944 -23.259 3.077 1.00 71.52 C ATOM 1080 C GLY A 73 19.556 -24.512 3.837 1.00 14.24 C ATOM 1081 O GLY A 73 18.866 -24.439 4.855 1.00 51.01 O ATOM 0 H GLY A 73 19.552 -24.360 1.336 1.00 2.45 H new ATOM 0 HA2 GLY A 73 20.957 -22.968 3.355 1.00 71.52 H new ATOM 0 HA3 GLY A 73 19.286 -22.441 3.370 1.00 71.52 H new ATOM 1085 N ILE A 74 19.997 -25.663 3.343 1.00 24.20 N ATOM 1086 CA ILE A 74 19.691 -26.936 3.983 1.00 20.50 C ATOM 1087 C ILE A 74 20.939 -27.805 4.105 1.00 12.42 C ATOM 1088 O ILE A 74 21.063 -28.850 3.466 1.00 3.51 O ATOM 1089 CB ILE A 74 18.613 -27.713 3.204 1.00 22.20 C ATOM 1090 CG1 ILE A 74 18.888 -27.641 1.701 1.00 63.54 C ATOM 1091 CG2 ILE A 74 17.231 -27.164 3.522 1.00 54.42 C ATOM 1092 CD1 ILE A 74 18.240 -26.454 1.024 1.00 72.33 C ATOM 0 H ILE A 74 20.568 -25.741 2.501 1.00 24.20 H new ATOM 0 HA ILE A 74 19.313 -26.705 4.979 1.00 20.50 H new ATOM 0 HB ILE A 74 18.646 -28.758 3.511 1.00 22.20 H new ATOM 0 HG12 ILE A 74 19.965 -27.598 1.539 1.00 63.54 H new ATOM 0 HG13 ILE A 74 18.531 -28.557 1.230 1.00 63.54 H new ATOM 0 HG21 ILE A 74 16.480 -27.723 2.964 1.00 54.42 H new ATOM 0 HG22 ILE A 74 17.037 -27.262 4.590 1.00 54.42 H new ATOM 0 HG23 ILE A 74 17.184 -26.112 3.240 1.00 54.42 H new ATOM 0 HD11 ILE A 74 18.478 -26.467 -0.040 1.00 72.33 H new ATOM 0 HD12 ILE A 74 17.159 -26.506 1.155 1.00 72.33 H new ATOM 0 HD13 ILE A 74 18.616 -25.532 1.468 1.00 72.33 H new ATOM 1104 N PRO A 75 21.886 -27.365 4.947 1.00 14.52 N ATOM 1105 CA PRO A 75 23.140 -28.088 5.175 1.00 1.34 C ATOM 1106 C PRO A 75 22.979 -29.225 6.178 1.00 5.04 C ATOM 1107 O PRO A 75 23.031 -30.399 5.813 1.00 71.50 O ATOM 1108 CB PRO A 75 24.074 -27.011 5.733 1.00 11.33 C ATOM 1109 CG PRO A 75 23.164 -25.951 6.251 1.00 74.11 C ATOM 1110 CD PRO A 75 21.804 -26.127 5.742 1.00 61.43 C ATOM 0 HA PRO A 75 23.509 -28.562 4.265 1.00 1.34 H new ATOM 0 HB2 PRO A 75 24.709 -27.409 6.525 1.00 11.33 H new ATOM 0 HB3 PRO A 75 24.736 -26.621 4.959 1.00 11.33 H new ATOM 0 HG2 PRO A 75 23.154 -25.977 7.341 1.00 74.11 H new ATOM 0 HG3 PRO A 75 23.540 -24.970 5.959 1.00 74.11 H new ATOM 0 HD2 PRO A 75 21.082 -26.219 6.553 1.00 61.43 H new ATOM 0 HD3 PRO A 75 21.492 -25.279 5.132 1.00 61.43 H new ATOM 1118 N ASP A 76 22.784 -28.869 7.443 1.00 4.22 N ATOM 1119 CA ASP A 76 22.614 -29.860 8.499 1.00 25.22 C ATOM 1120 C ASP A 76 21.136 -30.146 8.744 1.00 40.33 C ATOM 1121 O ASP A 76 20.784 -30.962 9.594 1.00 71.44 O ATOM 1122 CB ASP A 76 23.274 -29.378 9.792 1.00 0.40 C ATOM 1123 CG ASP A 76 23.997 -30.491 10.524 1.00 63.24 C ATOM 1124 OD1 ASP A 76 23.482 -31.628 10.531 1.00 73.41 O ATOM 1125 OD2 ASP A 76 25.079 -30.225 11.090 1.00 74.44 O ATOM 0 H ASP A 76 22.740 -27.901 7.762 1.00 4.22 H new ATOM 0 HA ASP A 76 23.095 -30.783 8.177 1.00 25.22 H new ATOM 0 HB2 ASP A 76 23.980 -28.581 9.560 1.00 0.40 H new ATOM 0 HB3 ASP A 76 22.514 -28.950 10.446 1.00 0.40 H new ATOM 1130 N ASN A 77 20.275 -29.466 7.993 1.00 62.00 N ATOM 1131 CA ASN A 77 18.834 -29.646 8.129 1.00 3.54 C ATOM 1132 C ASN A 77 18.295 -28.840 9.307 1.00 30.05 C ATOM 1133 O ASN A 77 18.226 -29.336 10.432 1.00 12.10 O ATOM 1134 CB ASN A 77 18.499 -31.127 8.314 1.00 42.10 C ATOM 1135 CG ASN A 77 19.351 -32.026 7.439 1.00 4.11 C ATOM 1136 OD1 ASN A 77 19.579 -31.733 6.265 1.00 22.22 O ATOM 1137 ND2 ASN A 77 19.827 -33.127 8.009 1.00 73.34 N ATOM 0 H ASN A 77 20.550 -28.786 7.284 1.00 62.00 H new ATOM 0 HA ASN A 77 18.360 -29.285 7.216 1.00 3.54 H new ATOM 0 HB2 ASN A 77 18.641 -31.401 9.359 1.00 42.10 H new ATOM 0 HB3 ASN A 77 17.447 -31.290 8.082 1.00 42.10 H new ATOM 0 HD21 ASN A 77 20.407 -33.770 7.470 1.00 73.34 H new ATOM 0 HD22 ASN A 77 19.612 -33.330 8.985 1.00 73.34 H new ATOM 1144 N SER A 78 17.913 -27.595 9.041 1.00 44.02 N ATOM 1145 CA SER A 78 17.383 -26.719 10.079 1.00 30.10 C ATOM 1146 C SER A 78 16.315 -25.789 9.512 1.00 71.13 C ATOM 1147 O SER A 78 15.870 -25.957 8.376 1.00 72.30 O ATOM 1148 CB SER A 78 18.510 -25.897 10.707 1.00 10.20 C ATOM 1149 OG SER A 78 19.575 -26.731 11.130 1.00 12.42 O ATOM 0 H SER A 78 17.961 -27.170 8.115 1.00 44.02 H new ATOM 0 HA SER A 78 16.926 -27.343 10.848 1.00 30.10 H new ATOM 0 HB2 SER A 78 18.879 -25.169 9.985 1.00 10.20 H new ATOM 0 HB3 SER A 78 18.124 -25.335 11.558 1.00 10.20 H new ATOM 0 HG SER A 78 20.283 -26.182 11.526 1.00 12.42 H new ATOM 1155 N ILE A 79 15.908 -24.808 10.311 1.00 65.33 N ATOM 1156 CA ILE A 79 14.894 -23.851 9.889 1.00 52.23 C ATOM 1157 C ILE A 79 15.475 -22.823 8.923 1.00 21.34 C ATOM 1158 O ILE A 79 16.672 -22.536 8.953 1.00 14.45 O ATOM 1159 CB ILE A 79 14.278 -23.116 11.094 1.00 52.53 C ATOM 1160 CG1 ILE A 79 13.934 -24.110 12.204 1.00 35.22 C ATOM 1161 CG2 ILE A 79 13.040 -22.342 10.666 1.00 52.24 C ATOM 1162 CD1 ILE A 79 13.378 -23.456 13.450 1.00 22.41 C ATOM 0 H ILE A 79 16.265 -24.656 11.254 1.00 65.33 H new ATOM 0 HA ILE A 79 14.114 -24.420 9.383 1.00 52.23 H new ATOM 0 HB ILE A 79 15.010 -22.407 11.481 1.00 52.53 H new ATOM 0 HG12 ILE A 79 13.207 -24.828 11.825 1.00 35.22 H new ATOM 0 HG13 ILE A 79 14.830 -24.672 12.467 1.00 35.22 H new ATOM 0 HG21 ILE A 79 12.616 -21.828 11.529 1.00 52.24 H new ATOM 0 HG22 ILE A 79 13.313 -21.610 9.906 1.00 52.24 H new ATOM 0 HG23 ILE A 79 12.303 -23.033 10.257 1.00 52.24 H new ATOM 0 HD11 ILE A 79 13.157 -24.221 14.194 1.00 22.41 H new ATOM 0 HD12 ILE A 79 14.112 -22.759 13.853 1.00 22.41 H new ATOM 0 HD13 ILE A 79 12.464 -22.917 13.201 1.00 22.41 H new ATOM 1174 N SER A 80 14.619 -22.272 8.069 1.00 44.12 N ATOM 1175 CA SER A 80 15.048 -21.277 7.093 1.00 61.14 C ATOM 1176 C SER A 80 13.924 -20.290 6.793 1.00 31.03 C ATOM 1177 O SER A 80 12.748 -20.592 6.995 1.00 73.13 O ATOM 1178 CB SER A 80 15.499 -21.961 5.801 1.00 41.15 C ATOM 1179 OG SER A 80 15.505 -21.049 4.716 1.00 40.20 O ATOM 0 H SER A 80 13.625 -22.497 8.033 1.00 44.12 H new ATOM 0 HA SER A 80 15.888 -20.727 7.517 1.00 61.14 H new ATOM 0 HB2 SER A 80 16.497 -22.377 5.936 1.00 41.15 H new ATOM 0 HB3 SER A 80 14.834 -22.795 5.576 1.00 41.15 H new ATOM 0 HG SER A 80 16.071 -20.281 4.938 1.00 40.20 H new ATOM 1185 N SER A 81 14.295 -19.108 6.311 1.00 23.40 N ATOM 1186 CA SER A 81 13.320 -18.074 5.987 1.00 33.10 C ATOM 1187 C SER A 81 13.931 -17.018 5.072 1.00 43.04 C ATOM 1188 O SER A 81 15.152 -16.877 4.996 1.00 1.34 O ATOM 1189 CB SER A 81 12.798 -17.417 7.266 1.00 3.52 C ATOM 1190 OG SER A 81 11.401 -17.607 7.404 1.00 12.23 O ATOM 0 H SER A 81 15.264 -18.843 6.136 1.00 23.40 H new ATOM 0 HA SER A 81 12.488 -18.545 5.463 1.00 33.10 H new ATOM 0 HB2 SER A 81 13.312 -17.837 8.130 1.00 3.52 H new ATOM 0 HB3 SER A 81 13.023 -16.351 7.249 1.00 3.52 H new ATOM 0 HG SER A 81 11.093 -17.179 8.230 1.00 12.23 H new ATOM 1196 N PHE A 82 13.074 -16.278 4.377 1.00 53.03 N ATOM 1197 CA PHE A 82 13.528 -15.235 3.465 1.00 41.32 C ATOM 1198 C PHE A 82 12.494 -14.118 3.358 1.00 51.25 C ATOM 1199 O PHE A 82 11.295 -14.376 3.244 1.00 5.15 O ATOM 1200 CB PHE A 82 13.805 -15.823 2.080 1.00 60.41 C ATOM 1201 CG PHE A 82 12.560 -16.185 1.322 1.00 15.32 C ATOM 1202 CD1 PHE A 82 11.701 -17.161 1.800 1.00 33.32 C ATOM 1203 CD2 PHE A 82 12.247 -15.547 0.132 1.00 23.42 C ATOM 1204 CE1 PHE A 82 10.554 -17.496 1.104 1.00 25.13 C ATOM 1205 CE2 PHE A 82 11.102 -15.878 -0.568 1.00 1.31 C ATOM 1206 CZ PHE A 82 10.254 -16.853 -0.080 1.00 41.34 C ATOM 0 H PHE A 82 12.061 -16.381 4.428 1.00 53.03 H new ATOM 0 HA PHE A 82 14.451 -14.815 3.865 1.00 41.32 H new ATOM 0 HB2 PHE A 82 14.379 -15.103 1.497 1.00 60.41 H new ATOM 0 HB3 PHE A 82 14.426 -16.712 2.189 1.00 60.41 H new ATOM 0 HD1 PHE A 82 11.930 -17.666 2.727 1.00 33.32 H new ATOM 0 HD2 PHE A 82 12.905 -14.782 -0.253 1.00 23.42 H new ATOM 0 HE1 PHE A 82 9.893 -18.260 1.486 1.00 25.13 H new ATOM 0 HE2 PHE A 82 10.871 -15.375 -1.495 1.00 1.31 H new ATOM 0 HZ PHE A 82 9.358 -17.112 -0.624 1.00 41.34 H new ATOM 1216 N ARG A 83 12.967 -12.876 3.395 1.00 73.35 N ATOM 1217 CA ARG A 83 12.084 -11.720 3.303 1.00 11.44 C ATOM 1218 C ARG A 83 11.839 -11.336 1.847 1.00 4.40 C ATOM 1219 O ARG A 83 12.779 -11.048 1.106 1.00 54.23 O ATOM 1220 CB ARG A 83 12.683 -10.533 4.061 1.00 32.31 C ATOM 1221 CG ARG A 83 12.503 -10.620 5.568 1.00 42.40 C ATOM 1222 CD ARG A 83 11.551 -9.549 6.078 1.00 41.03 C ATOM 1223 NE ARG A 83 11.292 -9.683 7.509 1.00 61.13 N ATOM 1224 CZ ARG A 83 10.550 -8.829 8.204 1.00 31.05 C ATOM 1225 NH1 ARG A 83 9.996 -7.785 7.604 1.00 72.03 N ATOM 1226 NH2 ARG A 83 10.360 -9.019 9.504 1.00 42.20 N ATOM 0 H ARG A 83 13.956 -12.645 3.488 1.00 73.35 H new ATOM 0 HA ARG A 83 11.129 -11.987 3.755 1.00 11.44 H new ATOM 0 HB2 ARG A 83 13.747 -10.467 3.834 1.00 32.31 H new ATOM 0 HB3 ARG A 83 12.223 -9.613 3.701 1.00 32.31 H new ATOM 0 HG2 ARG A 83 12.120 -11.605 5.834 1.00 42.40 H new ATOM 0 HG3 ARG A 83 13.471 -10.512 6.058 1.00 42.40 H new ATOM 0 HD2 ARG A 83 11.972 -8.564 5.877 1.00 41.03 H new ATOM 0 HD3 ARG A 83 10.610 -9.611 5.532 1.00 41.03 H new ATOM 0 HE ARG A 83 11.704 -10.476 8.001 1.00 61.13 H new ATOM 0 HH11 ARG A 83 10.139 -7.636 6.605 1.00 72.03 H new ATOM 0 HH12 ARG A 83 9.427 -7.131 8.141 1.00 72.03 H new ATOM 0 HH21 ARG A 83 10.784 -9.821 9.969 1.00 42.20 H new ATOM 0 HH22 ARG A 83 9.790 -8.363 10.037 1.00 42.20 H new ATOM 1240 N GLN A 84 10.572 -11.335 1.445 1.00 5.44 N ATOM 1241 CA GLN A 84 10.206 -10.987 0.078 1.00 75.44 C ATOM 1242 C GLN A 84 10.197 -9.475 -0.116 1.00 55.43 C ATOM 1243 O GLN A 84 9.192 -8.812 0.144 1.00 53.04 O ATOM 1244 CB GLN A 84 8.832 -11.566 -0.267 1.00 11.31 C ATOM 1245 CG GLN A 84 8.883 -13.004 -0.757 1.00 12.13 C ATOM 1246 CD GLN A 84 7.532 -13.689 -0.697 1.00 31.15 C ATOM 1247 OE1 GLN A 84 6.950 -14.031 -1.726 1.00 71.14 O ATOM 1248 NE2 GLN A 84 7.025 -13.894 0.514 1.00 51.44 N ATOM 0 H GLN A 84 9.783 -11.571 2.046 1.00 5.44 H new ATOM 0 HA GLN A 84 10.952 -11.415 -0.591 1.00 75.44 H new ATOM 0 HB2 GLN A 84 8.193 -11.514 0.615 1.00 11.31 H new ATOM 0 HB3 GLN A 84 8.368 -10.946 -1.034 1.00 11.31 H new ATOM 0 HG2 GLN A 84 9.250 -13.021 -1.783 1.00 12.13 H new ATOM 0 HG3 GLN A 84 9.597 -13.564 -0.154 1.00 12.13 H new ATOM 0 HE21 GLN A 84 7.542 -13.594 1.341 1.00 51.44 H new ATOM 0 HE22 GLN A 84 6.119 -14.351 0.617 1.00 51.44 H new ATOM 1257 N ILE A 85 11.321 -8.935 -0.574 1.00 24.15 N ATOM 1258 CA ILE A 85 11.442 -7.501 -0.803 1.00 10.34 C ATOM 1259 C ILE A 85 11.782 -7.203 -2.259 1.00 75.21 C ATOM 1260 O ILE A 85 12.425 -6.199 -2.565 1.00 60.33 O ATOM 1261 CB ILE A 85 12.520 -6.875 0.102 1.00 13.32 C ATOM 1262 CG1 ILE A 85 13.775 -7.750 0.117 1.00 11.53 C ATOM 1263 CG2 ILE A 85 11.982 -6.686 1.513 1.00 44.51 C ATOM 1264 CD1 ILE A 85 15.062 -6.958 0.193 1.00 70.34 C ATOM 0 H ILE A 85 12.161 -9.469 -0.794 1.00 24.15 H new ATOM 0 HA ILE A 85 10.475 -7.061 -0.561 1.00 10.34 H new ATOM 0 HB ILE A 85 12.787 -5.897 -0.298 1.00 13.32 H new ATOM 0 HG12 ILE A 85 13.725 -8.429 0.968 1.00 11.53 H new ATOM 0 HG13 ILE A 85 13.789 -8.366 -0.782 1.00 11.53 H new ATOM 0 HG21 ILE A 85 12.755 -6.243 2.141 1.00 44.51 H new ATOM 0 HG22 ILE A 85 11.114 -6.027 1.486 1.00 44.51 H new ATOM 0 HG23 ILE A 85 11.691 -7.653 1.924 1.00 44.51 H new ATOM 0 HD11 ILE A 85 15.910 -7.642 0.200 1.00 70.34 H new ATOM 0 HD12 ILE A 85 15.135 -6.298 -0.672 1.00 70.34 H new ATOM 0 HD13 ILE A 85 15.069 -6.362 1.106 1.00 70.34 H new