USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 612 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 33 ASN : amide:sc= -0.347 K(o=-2.2,f=-3.1) USER MOD Set 1.2: A 77 ASN : amide:sc= -1.89 K(o=-2.2,f=-5.6!) USER MOD Set 2.1: A 38 SER OG : rot 119:sc= 0.721 USER MOD Set 2.2: A 67 SER OG : rot 170:sc= 0.576 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.441 (180deg=-0.459) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.0371 X(o=-0.037,f=-0.022) USER MOD Single : A 13 ASN : amide:sc= -0.0866 K(o=-0.087,f=-1.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 178:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.365 USER MOD Single : A 25 GLN : amide:sc= 0.201 X(o=0.2,f=0.24) USER MOD Single : A 31 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.4) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 141:sc= 0.572 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 70:sc= 0.196 USER MOD Single : A 45 THR OG1 : rot 39:sc= 0.173 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.645 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.25 K(o=-0.25,f=-1.2) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -81:sc= 0.642 USER MOD Single : A 66 TYR OH : rot 0:sc= -0.112 USER MOD Single : A 68 SER OG : rot 180:sc= -0.122 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.465 USER MOD Single : A 81 SER OG : rot 56:sc= 0.612 USER MOD Single : A 84 GLN : amide:sc= -0.259 K(o=-0.26,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.265 -2.831 -11.103 1.00 31.14 N ATOM 2 CA MET A 1 2.630 -1.462 -10.758 1.00 41.25 C ATOM 3 C MET A 1 3.531 -1.432 -9.528 1.00 62.41 C ATOM 4 O MET A 1 4.435 -0.604 -9.429 1.00 41.22 O ATOM 5 CB MET A 1 1.375 -0.625 -10.506 1.00 12.33 C ATOM 6 CG MET A 1 0.350 -1.317 -9.622 1.00 22.40 C ATOM 7 SD MET A 1 -1.064 -0.265 -9.242 1.00 61.20 S ATOM 8 CE MET A 1 -1.704 -1.074 -7.777 1.00 42.25 C ATOM 0 H1 MET A 1 1.625 -2.824 -11.922 1.00 31.14 H new ATOM 0 H2 MET A 1 3.123 -3.370 -11.339 1.00 31.14 H new ATOM 0 H3 MET A 1 1.787 -3.277 -10.294 1.00 31.14 H new ATOM 0 HA MET A 1 3.179 -1.037 -11.598 1.00 41.25 H new ATOM 0 HB2 MET A 1 1.664 0.318 -10.043 1.00 12.33 H new ATOM 0 HB3 MET A 1 0.912 -0.382 -11.463 1.00 12.33 H new ATOM 0 HG2 MET A 1 0.001 -2.223 -10.118 1.00 22.40 H new ATOM 0 HG3 MET A 1 0.828 -1.626 -8.692 1.00 22.40 H new ATOM 0 HE1 MET A 1 -2.584 -0.538 -7.421 1.00 42.25 H new ATOM 0 HE2 MET A 1 -1.977 -2.101 -8.019 1.00 42.25 H new ATOM 0 HE3 MET A 1 -0.940 -1.075 -6.999 1.00 42.25 H new ATOM 18 N ASN A 2 3.278 -2.342 -8.593 1.00 30.04 N ATOM 19 CA ASN A 2 4.066 -2.419 -7.368 1.00 64.01 C ATOM 20 C ASN A 2 5.384 -3.147 -7.615 1.00 23.05 C ATOM 21 O ASN A 2 5.397 -4.307 -8.024 1.00 60.32 O ATOM 22 CB ASN A 2 3.274 -3.133 -6.271 1.00 1.42 C ATOM 23 CG ASN A 2 3.666 -2.670 -4.881 1.00 23.22 C ATOM 24 OD1 ASN A 2 4.653 -3.139 -4.314 1.00 23.41 O ATOM 25 ND2 ASN A 2 2.892 -1.745 -4.325 1.00 24.43 N ATOM 0 H ASN A 2 2.534 -3.036 -8.660 1.00 30.04 H new ATOM 0 HA ASN A 2 4.288 -1.402 -7.043 1.00 64.01 H new ATOM 0 HB2 ASN A 2 2.209 -2.957 -6.423 1.00 1.42 H new ATOM 0 HB3 ASN A 2 3.435 -4.208 -6.352 1.00 1.42 H new ATOM 0 HD21 ASN A 2 3.106 -1.395 -3.391 1.00 24.43 H new ATOM 0 HD22 ASN A 2 2.084 -1.385 -4.832 1.00 24.43 H new ATOM 32 N ALA A 3 6.492 -2.457 -7.361 1.00 55.12 N ATOM 33 CA ALA A 3 7.814 -3.038 -7.553 1.00 25.13 C ATOM 34 C ALA A 3 8.267 -3.794 -6.308 1.00 64.13 C ATOM 35 O ALA A 3 9.103 -3.310 -5.546 1.00 43.32 O ATOM 36 CB ALA A 3 8.821 -1.954 -7.909 1.00 54.23 C ATOM 0 H ALA A 3 6.499 -1.495 -7.022 1.00 55.12 H new ATOM 0 HA ALA A 3 7.755 -3.749 -8.377 1.00 25.13 H new ATOM 0 HB1 ALA A 3 9.804 -2.403 -8.049 1.00 54.23 H new ATOM 0 HB2 ALA A 3 8.513 -1.459 -8.830 1.00 54.23 H new ATOM 0 HB3 ALA A 3 8.868 -1.222 -7.103 1.00 54.23 H new ATOM 42 N ALA A 4 7.709 -4.984 -6.108 1.00 44.45 N ATOM 43 CA ALA A 4 8.057 -5.807 -4.957 1.00 43.10 C ATOM 44 C ALA A 4 7.325 -7.144 -4.997 1.00 11.24 C ATOM 45 O ALA A 4 6.865 -7.640 -3.969 1.00 23.12 O ATOM 46 CB ALA A 4 7.741 -5.068 -3.665 1.00 43.11 C ATOM 0 H ALA A 4 7.014 -5.399 -6.729 1.00 44.45 H new ATOM 0 HA ALA A 4 9.128 -6.008 -4.995 1.00 43.10 H new ATOM 0 HB1 ALA A 4 8.006 -5.695 -2.813 1.00 43.11 H new ATOM 0 HB2 ALA A 4 8.314 -4.142 -3.626 1.00 43.11 H new ATOM 0 HB3 ALA A 4 6.676 -4.838 -3.629 1.00 43.11 H new ATOM 52 N GLU A 5 7.220 -7.721 -6.190 1.00 13.33 N ATOM 53 CA GLU A 5 6.541 -9.000 -6.362 1.00 1.22 C ATOM 54 C GLU A 5 7.530 -10.158 -6.266 1.00 4.25 C ATOM 55 O GLU A 5 8.578 -10.150 -6.913 1.00 15.12 O ATOM 56 CB GLU A 5 5.819 -9.042 -7.710 1.00 63.13 C ATOM 57 CG GLU A 5 4.414 -9.614 -7.631 1.00 12.14 C ATOM 58 CD GLU A 5 4.342 -11.053 -8.103 1.00 53.12 C ATOM 59 OE1 GLU A 5 4.835 -11.339 -9.214 1.00 50.41 O ATOM 60 OE2 GLU A 5 3.792 -11.894 -7.361 1.00 11.40 O ATOM 0 H GLU A 5 7.596 -7.324 -7.051 1.00 13.33 H new ATOM 0 HA GLU A 5 5.808 -9.104 -5.562 1.00 1.22 H new ATOM 0 HB2 GLU A 5 5.769 -8.032 -8.117 1.00 63.13 H new ATOM 0 HB3 GLU A 5 6.406 -9.638 -8.409 1.00 63.13 H new ATOM 0 HG2 GLU A 5 4.059 -9.555 -6.602 1.00 12.14 H new ATOM 0 HG3 GLU A 5 3.743 -9.004 -8.235 1.00 12.14 H new ATOM 67 N VAL A 6 7.191 -11.153 -5.452 1.00 55.31 N ATOM 68 CA VAL A 6 8.047 -12.318 -5.270 1.00 63.34 C ATOM 69 C VAL A 6 7.361 -13.587 -5.765 1.00 3.15 C ATOM 70 O VAL A 6 6.237 -13.893 -5.365 1.00 5.23 O ATOM 71 CB VAL A 6 8.439 -12.502 -3.792 1.00 61.12 C ATOM 72 CG1 VAL A 6 9.182 -13.815 -3.596 1.00 11.23 C ATOM 73 CG2 VAL A 6 9.280 -11.328 -3.314 1.00 54.33 C ATOM 0 H VAL A 6 6.329 -11.175 -4.908 1.00 55.31 H new ATOM 0 HA VAL A 6 8.948 -12.143 -5.857 1.00 63.34 H new ATOM 0 HB VAL A 6 7.528 -12.535 -3.194 1.00 61.12 H new ATOM 0 HG11 VAL A 6 9.451 -13.928 -2.546 1.00 11.23 H new ATOM 0 HG12 VAL A 6 8.542 -14.644 -3.898 1.00 11.23 H new ATOM 0 HG13 VAL A 6 10.087 -13.815 -4.204 1.00 11.23 H new ATOM 0 HG21 VAL A 6 9.548 -11.475 -2.268 1.00 54.33 H new ATOM 0 HG22 VAL A 6 10.187 -11.261 -3.915 1.00 54.33 H new ATOM 0 HG23 VAL A 6 8.708 -10.405 -3.416 1.00 54.33 H new ATOM 83 N ILE A 7 8.045 -14.322 -6.635 1.00 52.23 N ATOM 84 CA ILE A 7 7.502 -15.559 -7.183 1.00 13.43 C ATOM 85 C ILE A 7 8.431 -16.736 -6.909 1.00 4.10 C ATOM 86 O ILE A 7 9.523 -16.822 -7.471 1.00 24.32 O ATOM 87 CB ILE A 7 7.266 -15.447 -8.701 1.00 5.13 C ATOM 88 CG1 ILE A 7 6.862 -16.805 -9.277 1.00 70.24 C ATOM 89 CG2 ILE A 7 8.515 -14.922 -9.393 1.00 24.11 C ATOM 90 CD1 ILE A 7 6.508 -16.756 -10.747 1.00 74.22 C ATOM 0 H ILE A 7 8.976 -14.083 -6.976 1.00 52.23 H new ATOM 0 HA ILE A 7 6.547 -15.731 -6.687 1.00 13.43 H new ATOM 0 HB ILE A 7 6.453 -14.742 -8.877 1.00 5.13 H new ATOM 0 HG12 ILE A 7 7.680 -17.510 -9.132 1.00 70.24 H new ATOM 0 HG13 ILE A 7 6.008 -17.188 -8.718 1.00 70.24 H new ATOM 0 HG21 ILE A 7 8.333 -14.848 -10.465 1.00 24.11 H new ATOM 0 HG22 ILE A 7 8.763 -13.937 -8.998 1.00 24.11 H new ATOM 0 HG23 ILE A 7 9.345 -15.605 -9.212 1.00 24.11 H new ATOM 0 HD11 ILE A 7 6.232 -17.754 -11.088 1.00 74.22 H new ATOM 0 HD12 ILE A 7 5.669 -16.076 -10.897 1.00 74.22 H new ATOM 0 HD13 ILE A 7 7.368 -16.403 -11.317 1.00 74.22 H new ATOM 102 N VAL A 8 7.990 -17.643 -6.043 1.00 1.53 N ATOM 103 CA VAL A 8 8.781 -18.817 -5.696 1.00 61.31 C ATOM 104 C VAL A 8 7.996 -20.101 -5.944 1.00 4.32 C ATOM 105 O VAL A 8 6.797 -20.169 -5.675 1.00 12.10 O ATOM 106 CB VAL A 8 9.228 -18.778 -4.223 1.00 22.13 C ATOM 107 CG1 VAL A 8 10.263 -19.859 -3.949 1.00 74.35 C ATOM 108 CG2 VAL A 8 9.775 -17.404 -3.869 1.00 4.42 C ATOM 0 H VAL A 8 7.089 -17.587 -5.569 1.00 1.53 H new ATOM 0 HA VAL A 8 9.664 -18.804 -6.336 1.00 61.31 H new ATOM 0 HB VAL A 8 8.360 -18.972 -3.593 1.00 22.13 H new ATOM 0 HG11 VAL A 8 10.567 -19.815 -2.903 1.00 74.35 H new ATOM 0 HG12 VAL A 8 9.832 -20.837 -4.161 1.00 74.35 H new ATOM 0 HG13 VAL A 8 11.133 -19.700 -4.586 1.00 74.35 H new ATOM 0 HG21 VAL A 8 10.086 -17.394 -2.824 1.00 4.42 H new ATOM 0 HG22 VAL A 8 10.631 -17.178 -4.505 1.00 4.42 H new ATOM 0 HG23 VAL A 8 9.000 -16.653 -4.024 1.00 4.42 H new ATOM 118 N TYR A 9 8.681 -21.116 -6.457 1.00 63.42 N ATOM 119 CA TYR A 9 8.048 -22.398 -6.743 1.00 61.33 C ATOM 120 C TYR A 9 8.144 -23.333 -5.542 1.00 31.44 C ATOM 121 O TYR A 9 9.170 -23.389 -4.865 1.00 43.53 O ATOM 122 CB TYR A 9 8.698 -23.051 -7.964 1.00 43.24 C ATOM 123 CG TYR A 9 8.176 -22.525 -9.282 1.00 52.32 C ATOM 124 CD1 TYR A 9 8.149 -21.161 -9.547 1.00 4.24 C ATOM 125 CD2 TYR A 9 7.708 -23.391 -10.262 1.00 75.12 C ATOM 126 CE1 TYR A 9 7.672 -20.675 -10.749 1.00 23.42 C ATOM 127 CE2 TYR A 9 7.230 -22.915 -11.468 1.00 0.33 C ATOM 128 CZ TYR A 9 7.214 -21.556 -11.706 1.00 62.33 C ATOM 129 OH TYR A 9 6.738 -21.078 -12.905 1.00 50.24 O ATOM 0 H TYR A 9 9.675 -21.076 -6.684 1.00 63.42 H new ATOM 0 HA TYR A 9 6.995 -22.214 -6.955 1.00 61.33 H new ATOM 0 HB2 TYR A 9 9.775 -22.892 -7.920 1.00 43.24 H new ATOM 0 HB3 TYR A 9 8.533 -24.128 -7.921 1.00 43.24 H new ATOM 0 HD1 TYR A 9 8.507 -20.468 -8.800 1.00 4.24 H new ATOM 0 HD2 TYR A 9 7.718 -24.455 -10.078 1.00 75.12 H new ATOM 0 HE1 TYR A 9 7.658 -19.612 -10.938 1.00 23.42 H new ATOM 0 HE2 TYR A 9 6.871 -23.602 -12.220 1.00 0.33 H new ATOM 0 HH TYR A 9 6.456 -21.829 -13.468 1.00 50.24 H new ATOM 139 N GLU A 10 7.066 -24.067 -5.284 1.00 32.23 N ATOM 140 CA GLU A 10 7.028 -25.000 -4.164 1.00 32.33 C ATOM 141 C GLU A 10 7.317 -26.424 -4.631 1.00 51.25 C ATOM 142 O GLU A 10 6.751 -27.387 -4.112 1.00 44.33 O ATOM 143 CB GLU A 10 5.664 -24.946 -3.472 1.00 60.10 C ATOM 144 CG GLU A 10 5.663 -25.555 -2.080 1.00 0.22 C ATOM 145 CD GLU A 10 5.501 -24.515 -0.988 1.00 42.44 C ATOM 146 OE1 GLU A 10 6.014 -23.389 -1.162 1.00 12.10 O ATOM 147 OE2 GLU A 10 4.863 -24.826 0.039 1.00 51.34 O ATOM 0 H GLU A 10 6.208 -24.034 -5.835 1.00 32.23 H new ATOM 0 HA GLU A 10 7.800 -24.705 -3.453 1.00 32.33 H new ATOM 0 HB2 GLU A 10 5.341 -23.907 -3.405 1.00 60.10 H new ATOM 0 HB3 GLU A 10 4.932 -25.468 -4.088 1.00 60.10 H new ATOM 0 HG2 GLU A 10 4.855 -26.283 -2.006 1.00 0.22 H new ATOM 0 HG3 GLU A 10 6.595 -26.098 -1.924 1.00 0.22 H new ATOM 154 N HIS A 11 8.201 -26.549 -5.616 1.00 50.22 N ATOM 155 CA HIS A 11 8.566 -27.854 -6.155 1.00 31.21 C ATOM 156 C HIS A 11 9.543 -27.708 -7.317 1.00 62.44 C ATOM 157 O HIS A 11 10.068 -26.623 -7.568 1.00 71.44 O ATOM 158 CB HIS A 11 7.317 -28.607 -6.615 1.00 10.04 C ATOM 159 CG HIS A 11 7.079 -29.884 -5.869 1.00 13.32 C ATOM 160 ND1 HIS A 11 5.881 -30.184 -5.254 1.00 64.23 N ATOM 161 CD2 HIS A 11 7.892 -30.942 -5.642 1.00 2.51 C ATOM 162 CE1 HIS A 11 5.969 -31.371 -4.680 1.00 43.32 C ATOM 163 NE2 HIS A 11 7.179 -31.852 -4.901 1.00 44.10 N ATOM 0 H HIS A 11 8.678 -25.762 -6.057 1.00 50.22 H new ATOM 0 HA HIS A 11 9.053 -28.423 -5.363 1.00 31.21 H new ATOM 0 HB2 HIS A 11 6.448 -27.959 -6.497 1.00 10.04 H new ATOM 0 HB3 HIS A 11 7.407 -28.828 -7.678 1.00 10.04 H new ATOM 0 HD2 HIS A 11 8.912 -31.050 -5.981 1.00 2.51 H new ATOM 0 HE1 HIS A 11 5.185 -31.864 -4.125 1.00 43.32 H new ATOM 0 HE2 HIS A 11 7.527 -32.753 -4.574 1.00 44.10 H new ATOM 171 N VAL A 12 9.784 -28.809 -8.024 1.00 12.44 N ATOM 172 CA VAL A 12 10.698 -28.803 -9.160 1.00 34.24 C ATOM 173 C VAL A 12 10.182 -27.901 -10.275 1.00 43.02 C ATOM 174 O VAL A 12 8.996 -27.581 -10.330 1.00 73.13 O ATOM 175 CB VAL A 12 10.907 -30.223 -9.718 1.00 70.33 C ATOM 176 CG1 VAL A 12 12.109 -30.259 -10.649 1.00 63.13 C ATOM 177 CG2 VAL A 12 11.071 -31.223 -8.583 1.00 41.14 C ATOM 0 H VAL A 12 9.359 -29.716 -7.830 1.00 12.44 H new ATOM 0 HA VAL A 12 11.652 -28.419 -8.798 1.00 34.24 H new ATOM 0 HB VAL A 12 10.024 -30.502 -10.293 1.00 70.33 H new ATOM 0 HG11 VAL A 12 12.241 -31.270 -11.034 1.00 63.13 H new ATOM 0 HG12 VAL A 12 11.946 -29.573 -11.480 1.00 63.13 H new ATOM 0 HG13 VAL A 12 13.003 -29.959 -10.101 1.00 63.13 H new ATOM 0 HG21 VAL A 12 11.218 -32.221 -8.996 1.00 41.14 H new ATOM 0 HG22 VAL A 12 11.936 -30.949 -7.979 1.00 41.14 H new ATOM 0 HG23 VAL A 12 10.177 -31.216 -7.960 1.00 41.14 H new ATOM 187 N ASN A 13 11.083 -27.494 -11.164 1.00 23.15 N ATOM 188 CA ASN A 13 10.720 -26.628 -12.279 1.00 52.21 C ATOM 189 C ASN A 13 10.225 -27.448 -13.466 1.00 64.54 C ATOM 190 O ASN A 13 10.735 -27.319 -14.580 1.00 22.14 O ATOM 191 CB ASN A 13 11.917 -25.773 -12.699 1.00 51.40 C ATOM 192 CG ASN A 13 11.498 -24.501 -13.412 1.00 33.42 C ATOM 193 OD1 ASN A 13 10.391 -24.001 -13.213 1.00 34.23 O ATOM 194 ND2 ASN A 13 12.383 -23.973 -14.248 1.00 44.32 N ATOM 0 H ASN A 13 12.070 -27.750 -11.133 1.00 23.15 H new ATOM 0 HA ASN A 13 9.913 -25.974 -11.950 1.00 52.21 H new ATOM 0 HB2 ASN A 13 12.503 -25.515 -11.817 1.00 51.40 H new ATOM 0 HB3 ASN A 13 12.565 -26.356 -13.353 1.00 51.40 H new ATOM 0 HD21 ASN A 13 12.157 -23.118 -14.757 1.00 44.32 H new ATOM 0 HD22 ASN A 13 13.289 -24.422 -14.382 1.00 44.32 H new ATOM 201 N PHE A 14 9.229 -28.293 -13.221 1.00 52.32 N ATOM 202 CA PHE A 14 8.665 -29.135 -14.269 1.00 61.25 C ATOM 203 C PHE A 14 7.495 -29.957 -13.737 1.00 13.44 C ATOM 204 O PHE A 14 7.215 -31.050 -14.227 1.00 11.41 O ATOM 205 CB PHE A 14 9.739 -30.065 -14.838 1.00 74.41 C ATOM 206 CG PHE A 14 9.894 -31.344 -14.065 1.00 43.05 C ATOM 207 CD1 PHE A 14 10.007 -31.325 -12.685 1.00 23.23 C ATOM 208 CD2 PHE A 14 9.928 -32.565 -14.720 1.00 42.32 C ATOM 209 CE1 PHE A 14 10.150 -32.500 -11.971 1.00 24.04 C ATOM 210 CE2 PHE A 14 10.071 -33.743 -14.011 1.00 55.44 C ATOM 211 CZ PHE A 14 10.183 -33.710 -12.635 1.00 60.22 C ATOM 0 H PHE A 14 8.796 -28.413 -12.305 1.00 52.32 H new ATOM 0 HA PHE A 14 8.298 -28.485 -15.063 1.00 61.25 H new ATOM 0 HB2 PHE A 14 9.492 -30.303 -15.873 1.00 74.41 H new ATOM 0 HB3 PHE A 14 10.694 -29.539 -14.851 1.00 74.41 H new ATOM 0 HD1 PHE A 14 9.983 -30.381 -12.160 1.00 23.23 H new ATOM 0 HD2 PHE A 14 9.842 -32.596 -15.796 1.00 42.32 H new ATOM 0 HE1 PHE A 14 10.236 -32.471 -10.895 1.00 24.04 H new ATOM 0 HE2 PHE A 14 10.095 -34.688 -14.533 1.00 55.44 H new ATOM 0 HZ PHE A 14 10.296 -34.629 -12.079 1.00 60.22 H new ATOM 221 N GLY A 15 6.814 -29.421 -12.728 1.00 2.14 N ATOM 222 CA GLY A 15 5.683 -30.117 -12.144 1.00 33.14 C ATOM 223 C GLY A 15 5.457 -29.742 -10.693 1.00 11.55 C ATOM 224 O GLY A 15 5.368 -30.610 -9.826 1.00 21.12 O ATOM 0 H GLY A 15 7.026 -28.517 -12.305 1.00 2.14 H new ATOM 0 HA2 GLY A 15 4.785 -29.890 -12.719 1.00 33.14 H new ATOM 0 HA3 GLY A 15 5.845 -31.192 -12.217 1.00 33.14 H new ATOM 228 N GLY A 16 5.365 -28.442 -10.426 1.00 44.03 N ATOM 229 CA GLY A 16 5.151 -27.976 -9.069 1.00 24.24 C ATOM 230 C GLY A 16 4.225 -26.778 -9.006 1.00 30.10 C ATOM 231 O GLY A 16 3.861 -26.210 -10.036 1.00 23.00 O ATOM 0 H GLY A 16 5.435 -27.704 -11.126 1.00 44.03 H new ATOM 0 HA2 GLY A 16 4.733 -28.786 -8.472 1.00 24.24 H new ATOM 0 HA3 GLY A 16 6.110 -27.714 -8.623 1.00 24.24 H new ATOM 235 N LYS A 17 3.840 -26.393 -7.794 1.00 51.31 N ATOM 236 CA LYS A 17 2.949 -25.255 -7.600 1.00 5.45 C ATOM 237 C LYS A 17 3.741 -23.996 -7.259 1.00 63.22 C ATOM 238 O LYS A 17 4.545 -23.990 -6.327 1.00 21.31 O ATOM 239 CB LYS A 17 1.943 -25.553 -6.486 1.00 74.13 C ATOM 240 CG LYS A 17 0.605 -24.858 -6.674 1.00 20.33 C ATOM 241 CD LYS A 17 0.248 -24.003 -5.470 1.00 13.40 C ATOM 242 CE LYS A 17 -0.302 -24.846 -4.330 1.00 31.00 C ATOM 243 NZ LYS A 17 -1.770 -25.061 -4.457 1.00 13.42 N ATOM 0 H LYS A 17 4.131 -26.852 -6.931 1.00 51.31 H new ATOM 0 HA LYS A 17 2.411 -25.084 -8.532 1.00 5.45 H new ATOM 0 HB2 LYS A 17 1.780 -26.629 -6.433 1.00 74.13 H new ATOM 0 HB3 LYS A 17 2.370 -25.248 -5.531 1.00 74.13 H new ATOM 0 HG2 LYS A 17 0.640 -24.234 -7.567 1.00 20.33 H new ATOM 0 HG3 LYS A 17 -0.174 -25.603 -6.836 1.00 20.33 H new ATOM 0 HD2 LYS A 17 1.132 -23.463 -5.131 1.00 13.40 H new ATOM 0 HD3 LYS A 17 -0.490 -23.255 -5.760 1.00 13.40 H new ATOM 0 HE2 LYS A 17 0.206 -25.810 -4.313 1.00 31.00 H new ATOM 0 HE3 LYS A 17 -0.088 -24.356 -3.380 1.00 31.00 H new ATOM 0 HZ1 LYS A 17 -2.106 -25.640 -3.661 1.00 13.42 H new ATOM 0 HZ2 LYS A 17 -2.258 -24.142 -4.447 1.00 13.42 H new ATOM 0 HZ3 LYS A 17 -1.973 -25.551 -5.352 1.00 13.42 H new ATOM 257 N SER A 18 3.508 -22.932 -8.020 1.00 53.40 N ATOM 258 CA SER A 18 4.201 -21.668 -7.800 1.00 42.21 C ATOM 259 C SER A 18 3.214 -20.561 -7.443 1.00 75.20 C ATOM 260 O SER A 18 2.050 -20.599 -7.843 1.00 51.24 O ATOM 261 CB SER A 18 4.996 -21.275 -9.046 1.00 45.54 C ATOM 262 OG SER A 18 4.132 -20.912 -10.109 1.00 44.33 O ATOM 0 H SER A 18 2.845 -22.920 -8.795 1.00 53.40 H new ATOM 0 HA SER A 18 4.889 -21.800 -6.965 1.00 42.21 H new ATOM 0 HB2 SER A 18 5.658 -20.442 -8.811 1.00 45.54 H new ATOM 0 HB3 SER A 18 5.628 -22.107 -9.355 1.00 45.54 H new ATOM 0 HG SER A 18 4.665 -20.640 -10.885 1.00 44.33 H new ATOM 268 N PHE A 19 3.686 -19.576 -6.687 1.00 24.24 N ATOM 269 CA PHE A 19 2.846 -18.458 -6.274 1.00 31.34 C ATOM 270 C PHE A 19 3.251 -17.177 -6.996 1.00 64.03 C ATOM 271 O PHE A 19 4.435 -16.850 -7.086 1.00 70.33 O ATOM 272 CB PHE A 19 2.939 -18.255 -4.760 1.00 52.20 C ATOM 273 CG PHE A 19 3.030 -19.539 -3.987 1.00 24.31 C ATOM 274 CD1 PHE A 19 1.961 -20.420 -3.952 1.00 0.33 C ATOM 275 CD2 PHE A 19 4.186 -19.867 -3.296 1.00 12.41 C ATOM 276 CE1 PHE A 19 2.042 -21.602 -3.240 1.00 45.15 C ATOM 277 CE2 PHE A 19 4.273 -21.048 -2.583 1.00 42.32 C ATOM 278 CZ PHE A 19 3.200 -21.917 -2.556 1.00 44.14 C ATOM 0 H PHE A 19 4.647 -19.529 -6.347 1.00 24.24 H new ATOM 0 HA PHE A 19 1.815 -18.693 -6.540 1.00 31.34 H new ATOM 0 HB2 PHE A 19 3.813 -17.643 -4.537 1.00 52.20 H new ATOM 0 HB3 PHE A 19 2.065 -17.698 -4.422 1.00 52.20 H new ATOM 0 HD1 PHE A 19 1.054 -20.180 -4.487 1.00 0.33 H new ATOM 0 HD2 PHE A 19 5.029 -19.192 -3.315 1.00 12.41 H new ATOM 0 HE1 PHE A 19 1.201 -22.279 -3.219 1.00 45.15 H new ATOM 0 HE2 PHE A 19 5.179 -21.291 -2.048 1.00 42.32 H new ATOM 0 HZ PHE A 19 3.266 -22.841 -2.001 1.00 44.14 H new ATOM 288 N ASP A 20 2.261 -16.456 -7.510 1.00 31.11 N ATOM 289 CA ASP A 20 2.513 -15.210 -8.225 1.00 31.14 C ATOM 290 C ASP A 20 1.615 -14.093 -7.703 1.00 12.05 C ATOM 291 O ASP A 20 1.086 -13.296 -8.476 1.00 53.24 O ATOM 292 CB ASP A 20 2.288 -15.403 -9.725 1.00 33.30 C ATOM 293 CG ASP A 20 1.035 -16.204 -10.024 1.00 43.51 C ATOM 294 OD1 ASP A 20 -0.043 -15.830 -9.517 1.00 53.31 O ATOM 295 OD2 ASP A 20 1.133 -17.203 -10.766 1.00 24.01 O ATOM 0 H ASP A 20 1.276 -16.713 -7.445 1.00 31.11 H new ATOM 0 HA ASP A 20 3.552 -14.926 -8.055 1.00 31.14 H new ATOM 0 HB2 ASP A 20 2.216 -14.428 -10.207 1.00 33.30 H new ATOM 0 HB3 ASP A 20 3.151 -15.909 -10.157 1.00 33.30 H new ATOM 300 N ALA A 21 1.447 -14.043 -6.385 1.00 54.32 N ATOM 301 CA ALA A 21 0.613 -13.023 -5.760 1.00 25.22 C ATOM 302 C ALA A 21 0.992 -12.827 -4.296 1.00 21.03 C ATOM 303 O ALA A 21 1.479 -13.749 -3.640 1.00 50.20 O ATOM 304 CB ALA A 21 -0.857 -13.396 -5.881 1.00 42.54 C ATOM 0 H ALA A 21 1.877 -14.696 -5.730 1.00 54.32 H new ATOM 0 HA ALA A 21 0.781 -12.081 -6.282 1.00 25.22 H new ATOM 0 HB1 ALA A 21 -1.468 -12.626 -5.410 1.00 42.54 H new ATOM 0 HB2 ALA A 21 -1.126 -13.479 -6.934 1.00 42.54 H new ATOM 0 HB3 ALA A 21 -1.032 -14.351 -5.386 1.00 42.54 H new ATOM 310 N THR A 22 0.766 -11.619 -3.787 1.00 61.54 N ATOM 311 CA THR A 22 1.085 -11.302 -2.401 1.00 43.23 C ATOM 312 C THR A 22 0.003 -11.813 -1.457 1.00 2.31 C ATOM 313 O THR A 22 -0.659 -11.031 -0.775 1.00 41.50 O ATOM 314 CB THR A 22 1.254 -9.784 -2.197 1.00 60.33 C ATOM 315 OG1 THR A 22 2.038 -9.231 -3.260 1.00 64.40 O ATOM 316 CG2 THR A 22 1.920 -9.489 -0.862 1.00 11.41 C ATOM 0 H THR A 22 0.363 -10.845 -4.315 1.00 61.54 H new ATOM 0 HA THR A 22 2.027 -11.799 -2.172 1.00 43.23 H new ATOM 0 HB THR A 22 0.265 -9.327 -2.200 1.00 60.33 H new ATOM 0 HG1 THR A 22 2.139 -8.266 -3.124 1.00 64.40 H new ATOM 0 HG21 THR A 22 2.029 -8.411 -0.740 1.00 11.41 H new ATOM 0 HG22 THR A 22 1.306 -9.886 -0.054 1.00 11.41 H new ATOM 0 HG23 THR A 22 2.903 -9.958 -0.834 1.00 11.41 H new ATOM 324 N SER A 23 -0.171 -13.130 -1.421 1.00 61.03 N ATOM 325 CA SER A 23 -1.176 -13.745 -0.562 1.00 64.30 C ATOM 326 C SER A 23 -0.722 -15.127 -0.099 1.00 52.42 C ATOM 327 O SER A 23 -0.198 -15.283 1.004 1.00 44.34 O ATOM 328 CB SER A 23 -2.511 -13.855 -1.301 1.00 22.24 C ATOM 329 OG SER A 23 -2.333 -14.394 -2.599 1.00 45.12 O ATOM 0 H SER A 23 0.371 -13.792 -1.977 1.00 61.03 H new ATOM 0 HA SER A 23 -1.306 -13.111 0.315 1.00 64.30 H new ATOM 0 HB2 SER A 23 -3.194 -14.486 -0.732 1.00 22.24 H new ATOM 0 HB3 SER A 23 -2.972 -12.870 -1.373 1.00 22.24 H new ATOM 0 HG SER A 23 -3.201 -14.456 -3.050 1.00 45.12 H new ATOM 335 N ASP A 24 -0.929 -16.126 -0.950 1.00 44.30 N ATOM 336 CA ASP A 24 -0.541 -17.495 -0.630 1.00 42.34 C ATOM 337 C ASP A 24 0.962 -17.688 -0.804 1.00 24.21 C ATOM 338 O ASP A 24 1.403 -18.514 -1.603 1.00 54.01 O ATOM 339 CB ASP A 24 -1.300 -18.483 -1.517 1.00 15.22 C ATOM 340 CG ASP A 24 -2.737 -18.674 -1.071 1.00 61.14 C ATOM 341 OD1 ASP A 24 -3.097 -18.159 0.008 1.00 64.43 O ATOM 342 OD2 ASP A 24 -3.501 -19.339 -1.802 1.00 33.43 O ATOM 0 H ASP A 24 -1.363 -16.014 -1.866 1.00 44.30 H new ATOM 0 HA ASP A 24 -0.796 -17.685 0.413 1.00 42.34 H new ATOM 0 HB2 ASP A 24 -1.286 -18.127 -2.547 1.00 15.22 H new ATOM 0 HB3 ASP A 24 -0.788 -19.445 -1.505 1.00 15.22 H new ATOM 347 N GLN A 25 1.744 -16.921 -0.051 1.00 15.42 N ATOM 348 CA GLN A 25 3.197 -17.007 -0.123 1.00 63.04 C ATOM 349 C GLN A 25 3.840 -16.452 1.144 1.00 55.34 C ATOM 350 O GLN A 25 4.495 -15.410 1.131 1.00 12.51 O ATOM 351 CB GLN A 25 3.714 -16.247 -1.346 1.00 60.44 C ATOM 352 CG GLN A 25 5.192 -16.473 -1.623 1.00 73.12 C ATOM 353 CD GLN A 25 5.711 -15.611 -2.757 1.00 4.14 C ATOM 354 OE1 GLN A 25 6.344 -16.107 -3.690 1.00 13.14 O ATOM 355 NE2 GLN A 25 5.447 -14.312 -2.682 1.00 1.23 N ATOM 0 H GLN A 25 1.395 -16.233 0.616 1.00 15.42 H new ATOM 0 HA GLN A 25 3.469 -18.059 -0.215 1.00 63.04 H new ATOM 0 HB2 GLN A 25 3.139 -16.549 -2.221 1.00 60.44 H new ATOM 0 HB3 GLN A 25 3.539 -15.181 -1.202 1.00 60.44 H new ATOM 0 HG2 GLN A 25 5.764 -16.261 -0.719 1.00 73.12 H new ATOM 0 HG3 GLN A 25 5.356 -17.523 -1.865 1.00 73.12 H new ATOM 0 HE21 GLN A 25 4.919 -13.944 -1.891 1.00 1.23 H new ATOM 0 HE22 GLN A 25 5.772 -13.682 -3.416 1.00 1.23 H new ATOM 364 N PRO A 26 3.648 -17.162 2.265 1.00 62.40 N ATOM 365 CA PRO A 26 4.201 -16.759 3.561 1.00 21.55 C ATOM 366 C PRO A 26 5.717 -16.911 3.618 1.00 63.54 C ATOM 367 O PRO A 26 6.359 -17.212 2.611 1.00 15.54 O ATOM 368 CB PRO A 26 3.531 -17.720 4.547 1.00 54.11 C ATOM 369 CG PRO A 26 3.176 -18.914 3.730 1.00 73.10 C ATOM 370 CD PRO A 26 2.878 -18.414 2.353 1.00 31.34 C ATOM 0 HA PRO A 26 4.013 -15.707 3.774 1.00 21.55 H new ATOM 0 HB2 PRO A 26 4.205 -17.984 5.362 1.00 54.11 H new ATOM 0 HB3 PRO A 26 2.646 -17.271 4.998 1.00 54.11 H new ATOM 0 HG2 PRO A 26 3.997 -19.630 3.713 1.00 73.10 H new ATOM 0 HG3 PRO A 26 2.312 -19.429 4.151 1.00 73.10 H new ATOM 0 HD2 PRO A 26 3.187 -19.129 1.591 1.00 31.34 H new ATOM 0 HD3 PRO A 26 1.811 -18.239 2.212 1.00 31.34 H new ATOM 378 N GLY A 27 6.285 -16.703 4.802 1.00 42.34 N ATOM 379 CA GLY A 27 7.722 -16.822 4.966 1.00 2.44 C ATOM 380 C GLY A 27 8.152 -18.236 5.300 1.00 23.23 C ATOM 381 O GLY A 27 7.329 -19.150 5.338 1.00 51.11 O ATOM 0 H GLY A 27 5.776 -16.454 5.650 1.00 42.34 H new ATOM 0 HA2 GLY A 27 8.217 -16.502 4.049 1.00 2.44 H new ATOM 0 HA3 GLY A 27 8.051 -16.149 5.758 1.00 2.44 H new ATOM 385 N ALA A 28 9.447 -18.418 5.542 1.00 75.02 N ATOM 386 CA ALA A 28 9.984 -19.731 5.874 1.00 24.33 C ATOM 387 C ALA A 28 9.983 -19.960 7.382 1.00 14.30 C ATOM 388 O ALA A 28 11.031 -19.931 8.025 1.00 32.43 O ATOM 389 CB ALA A 28 11.392 -19.881 5.318 1.00 64.34 C ATOM 0 H ALA A 28 10.142 -17.672 5.514 1.00 75.02 H new ATOM 0 HA ALA A 28 9.342 -20.484 5.418 1.00 24.33 H new ATOM 0 HB1 ALA A 28 11.781 -20.867 5.573 1.00 64.34 H new ATOM 0 HB2 ALA A 28 11.369 -19.770 4.234 1.00 64.34 H new ATOM 0 HB3 ALA A 28 12.036 -19.114 5.748 1.00 64.34 H new ATOM 395 N GLY A 29 8.797 -20.185 7.940 1.00 21.55 N ATOM 396 CA GLY A 29 8.682 -20.414 9.369 1.00 74.52 C ATOM 397 C GLY A 29 9.441 -21.646 9.822 1.00 55.11 C ATOM 398 O GLY A 29 10.657 -21.601 10.004 1.00 22.35 O ATOM 0 H GLY A 29 7.915 -20.213 7.429 1.00 21.55 H new ATOM 0 HA2 GLY A 29 9.058 -19.542 9.905 1.00 74.52 H new ATOM 0 HA3 GLY A 29 7.630 -20.522 9.633 1.00 74.52 H new ATOM 402 N ASP A 30 8.721 -22.748 10.005 1.00 5.33 N ATOM 403 CA ASP A 30 9.335 -23.997 10.441 1.00 74.23 C ATOM 404 C ASP A 30 10.034 -24.693 9.278 1.00 63.44 C ATOM 405 O ASP A 30 9.637 -25.782 8.863 1.00 3.45 O ATOM 406 CB ASP A 30 8.279 -24.924 11.046 1.00 62.21 C ATOM 407 CG ASP A 30 7.110 -25.160 10.110 1.00 42.32 C ATOM 408 OD1 ASP A 30 6.349 -24.202 9.859 1.00 45.13 O ATOM 409 OD2 ASP A 30 6.956 -26.302 9.629 1.00 55.02 O ATOM 0 H ASP A 30 7.713 -22.802 9.858 1.00 5.33 H new ATOM 0 HA ASP A 30 10.080 -23.762 11.201 1.00 74.23 H new ATOM 0 HB2 ASP A 30 8.739 -25.880 11.296 1.00 62.21 H new ATOM 0 HB3 ASP A 30 7.913 -24.493 11.978 1.00 62.21 H new ATOM 414 N ASN A 31 11.077 -24.057 8.755 1.00 43.14 N ATOM 415 CA ASN A 31 11.831 -24.615 7.638 1.00 45.52 C ATOM 416 C ASN A 31 12.515 -25.918 8.040 1.00 43.22 C ATOM 417 O ASN A 31 12.405 -26.363 9.183 1.00 14.10 O ATOM 418 CB ASN A 31 12.875 -23.609 7.147 1.00 55.41 C ATOM 419 CG ASN A 31 13.120 -23.712 5.654 1.00 53.01 C ATOM 420 OD1 ASN A 31 14.243 -23.959 5.214 1.00 54.44 O ATOM 421 ND2 ASN A 31 12.067 -23.523 4.867 1.00 13.01 N ATOM 0 H ASN A 31 11.419 -23.155 9.086 1.00 43.14 H new ATOM 0 HA ASN A 31 11.131 -24.827 6.830 1.00 45.52 H new ATOM 0 HB2 ASN A 31 12.544 -22.599 7.389 1.00 55.41 H new ATOM 0 HB3 ASN A 31 13.812 -23.774 7.678 1.00 55.41 H new ATOM 0 HD21 ASN A 31 12.171 -23.580 3.854 1.00 13.01 H new ATOM 0 HD22 ASN A 31 11.155 -23.321 5.276 1.00 13.01 H new ATOM 428 N LEU A 32 13.223 -26.525 7.093 1.00 15.32 N ATOM 429 CA LEU A 32 13.926 -27.777 7.348 1.00 32.20 C ATOM 430 C LEU A 32 14.949 -28.060 6.252 1.00 14.04 C ATOM 431 O LEU A 32 15.128 -27.260 5.336 1.00 40.53 O ATOM 432 CB LEU A 32 12.930 -28.934 7.443 1.00 74.25 C ATOM 433 CG LEU A 32 12.775 -29.576 8.822 1.00 52.41 C ATOM 434 CD1 LEU A 32 11.402 -29.270 9.402 1.00 44.03 C ATOM 435 CD2 LEU A 32 12.998 -31.079 8.739 1.00 2.53 C ATOM 0 H LEU A 32 13.325 -26.170 6.142 1.00 15.32 H new ATOM 0 HA LEU A 32 14.454 -27.682 8.297 1.00 32.20 H new ATOM 0 HB2 LEU A 32 11.953 -28.573 7.121 1.00 74.25 H new ATOM 0 HB3 LEU A 32 13.233 -29.707 6.737 1.00 74.25 H new ATOM 0 HG LEU A 32 13.530 -29.153 9.485 1.00 52.41 H new ATOM 0 HD11 LEU A 32 11.310 -29.735 10.384 1.00 44.03 H new ATOM 0 HD12 LEU A 32 11.280 -28.191 9.499 1.00 44.03 H new ATOM 0 HD13 LEU A 32 10.631 -29.664 8.740 1.00 44.03 H new ATOM 0 HD21 LEU A 32 12.884 -31.519 9.730 1.00 2.53 H new ATOM 0 HD22 LEU A 32 12.267 -31.518 8.060 1.00 2.53 H new ATOM 0 HD23 LEU A 32 14.003 -31.278 8.368 1.00 2.53 H new ATOM 447 N ASN A 33 15.615 -29.205 6.354 1.00 61.44 N ATOM 448 CA ASN A 33 16.619 -29.595 5.370 1.00 1.01 C ATOM 449 C ASN A 33 15.996 -30.438 4.261 1.00 0.43 C ATOM 450 O ASN A 33 16.703 -31.025 3.442 1.00 20.03 O ATOM 451 CB ASN A 33 17.749 -30.375 6.045 1.00 32.33 C ATOM 452 CG ASN A 33 17.358 -31.808 6.353 1.00 2.24 C ATOM 453 OD1 ASN A 33 16.701 -32.082 7.358 1.00 5.41 O ATOM 454 ND2 ASN A 33 17.762 -32.730 5.488 1.00 60.24 N ATOM 0 H ASN A 33 15.478 -29.879 7.107 1.00 61.44 H new ATOM 0 HA ASN A 33 17.028 -28.687 4.926 1.00 1.01 H new ATOM 0 HB2 ASN A 33 18.626 -30.372 5.398 1.00 32.33 H new ATOM 0 HB3 ASN A 33 18.033 -29.872 6.969 1.00 32.33 H new ATOM 0 HD21 ASN A 33 17.530 -33.711 5.643 1.00 60.24 H new ATOM 0 HD22 ASN A 33 18.305 -32.457 4.668 1.00 60.24 H new ATOM 461 N ASP A 34 14.669 -30.491 4.241 1.00 31.25 N ATOM 462 CA ASP A 34 13.950 -31.260 3.232 1.00 33.25 C ATOM 463 C ASP A 34 13.304 -30.337 2.204 1.00 62.23 C ATOM 464 O ASP A 34 12.177 -30.569 1.766 1.00 13.35 O ATOM 465 CB ASP A 34 12.882 -32.135 3.892 1.00 3.10 C ATOM 466 CG ASP A 34 13.429 -32.934 5.059 1.00 74.44 C ATOM 467 OD1 ASP A 34 14.651 -33.186 5.084 1.00 63.22 O ATOM 468 OD2 ASP A 34 12.633 -33.309 5.946 1.00 44.11 O ATOM 0 H ASP A 34 14.069 -30.011 4.912 1.00 31.25 H new ATOM 0 HA ASP A 34 14.668 -31.900 2.719 1.00 33.25 H new ATOM 0 HB2 ASP A 34 12.063 -31.505 4.239 1.00 3.10 H new ATOM 0 HB3 ASP A 34 12.467 -32.818 3.151 1.00 3.10 H new ATOM 473 N LYS A 35 14.026 -29.289 1.822 1.00 71.15 N ATOM 474 CA LYS A 35 13.525 -28.330 0.844 1.00 21.01 C ATOM 475 C LYS A 35 13.950 -28.720 -0.568 1.00 30.10 C ATOM 476 O LYS A 35 15.098 -29.101 -0.797 1.00 62.35 O ATOM 477 CB LYS A 35 14.034 -26.924 1.171 1.00 30.33 C ATOM 478 CG LYS A 35 15.546 -26.837 1.291 1.00 73.30 C ATOM 479 CD LYS A 35 16.038 -25.411 1.115 1.00 53.54 C ATOM 480 CE LYS A 35 15.939 -24.962 -0.336 1.00 21.25 C ATOM 481 NZ LYS A 35 15.247 -23.650 -0.465 1.00 34.24 N ATOM 0 H LYS A 35 14.960 -29.082 2.175 1.00 71.15 H new ATOM 0 HA LYS A 35 12.436 -28.336 0.891 1.00 21.01 H new ATOM 0 HB2 LYS A 35 13.699 -26.236 0.395 1.00 30.33 H new ATOM 0 HB3 LYS A 35 13.584 -26.592 2.107 1.00 30.33 H new ATOM 0 HG2 LYS A 35 15.857 -27.212 2.266 1.00 73.30 H new ATOM 0 HG3 LYS A 35 16.009 -27.478 0.541 1.00 73.30 H new ATOM 0 HD2 LYS A 35 15.451 -24.742 1.745 1.00 53.54 H new ATOM 0 HD3 LYS A 35 17.073 -25.338 1.450 1.00 53.54 H new ATOM 0 HE2 LYS A 35 16.939 -24.888 -0.762 1.00 21.25 H new ATOM 0 HE3 LYS A 35 15.401 -25.714 -0.913 1.00 21.25 H new ATOM 0 HZ1 LYS A 35 15.200 -23.379 -1.468 1.00 34.24 H new ATOM 0 HZ2 LYS A 35 14.283 -23.727 -0.082 1.00 34.24 H new ATOM 0 HZ3 LYS A 35 15.774 -22.926 0.064 1.00 34.24 H new ATOM 495 N ILE A 36 13.018 -28.621 -1.510 1.00 2.20 N ATOM 496 CA ILE A 36 13.298 -28.961 -2.899 1.00 40.24 C ATOM 497 C ILE A 36 12.402 -28.174 -3.849 1.00 52.43 C ATOM 498 O ILE A 36 11.230 -28.503 -4.029 1.00 75.25 O ATOM 499 CB ILE A 36 13.106 -30.467 -3.160 1.00 41.52 C ATOM 500 CG1 ILE A 36 13.203 -30.763 -4.658 1.00 61.40 C ATOM 501 CG2 ILE A 36 11.768 -30.933 -2.608 1.00 34.33 C ATOM 502 CD1 ILE A 36 13.183 -32.240 -4.984 1.00 34.41 C ATOM 0 H ILE A 36 12.063 -28.308 -1.336 1.00 2.20 H new ATOM 0 HA ILE A 36 14.340 -28.698 -3.084 1.00 40.24 H new ATOM 0 HB ILE A 36 13.898 -31.014 -2.649 1.00 41.52 H new ATOM 0 HG12 ILE A 36 12.375 -30.275 -5.171 1.00 61.40 H new ATOM 0 HG13 ILE A 36 14.122 -30.325 -5.048 1.00 61.40 H new ATOM 0 HG21 ILE A 36 11.647 -31.999 -2.800 1.00 34.33 H new ATOM 0 HG22 ILE A 36 11.735 -30.752 -1.534 1.00 34.33 H new ATOM 0 HG23 ILE A 36 10.962 -30.383 -3.094 1.00 34.33 H new ATOM 0 HD11 ILE A 36 13.255 -32.375 -6.063 1.00 34.41 H new ATOM 0 HD12 ILE A 36 14.027 -32.731 -4.499 1.00 34.41 H new ATOM 0 HD13 ILE A 36 12.252 -32.679 -4.625 1.00 34.41 H new ATOM 514 N SER A 37 12.962 -27.132 -4.456 1.00 61.11 N ATOM 515 CA SER A 37 12.213 -26.296 -5.387 1.00 2.12 C ATOM 516 C SER A 37 13.136 -25.304 -6.089 1.00 34.00 C ATOM 517 O SER A 37 14.358 -25.442 -6.051 1.00 62.40 O ATOM 518 CB SER A 37 11.103 -25.544 -4.650 1.00 42.20 C ATOM 519 OG SER A 37 11.613 -24.395 -3.995 1.00 61.31 O ATOM 0 H SER A 37 13.932 -26.847 -4.320 1.00 61.11 H new ATOM 0 HA SER A 37 11.765 -26.944 -6.140 1.00 2.12 H new ATOM 0 HB2 SER A 37 10.328 -25.249 -5.357 1.00 42.20 H new ATOM 0 HB3 SER A 37 10.634 -26.204 -3.920 1.00 42.20 H new ATOM 0 HG SER A 37 10.972 -23.659 -4.080 1.00 61.31 H new ATOM 525 N SER A 38 12.540 -24.303 -6.730 1.00 21.32 N ATOM 526 CA SER A 38 13.307 -23.289 -7.444 1.00 72.45 C ATOM 527 C SER A 38 12.876 -21.887 -7.026 1.00 31.14 C ATOM 528 O SER A 38 11.755 -21.684 -6.557 1.00 62.33 O ATOM 529 CB SER A 38 13.133 -23.459 -8.955 1.00 11.20 C ATOM 530 OG SER A 38 13.954 -22.550 -9.668 1.00 22.41 O ATOM 0 H SER A 38 11.529 -24.173 -6.769 1.00 21.32 H new ATOM 0 HA SER A 38 14.359 -23.418 -7.189 1.00 72.45 H new ATOM 0 HB2 SER A 38 13.383 -24.481 -9.240 1.00 11.20 H new ATOM 0 HB3 SER A 38 12.089 -23.299 -9.224 1.00 11.20 H new ATOM 0 HG SER A 38 14.586 -23.049 -10.226 1.00 22.41 H new ATOM 536 N ILE A 39 13.774 -20.923 -7.198 1.00 30.03 N ATOM 537 CA ILE A 39 13.487 -19.540 -6.839 1.00 2.31 C ATOM 538 C ILE A 39 13.618 -18.620 -8.048 1.00 52.21 C ATOM 539 O ILE A 39 14.520 -18.780 -8.870 1.00 24.30 O ATOM 540 CB ILE A 39 14.426 -19.041 -5.725 1.00 2.23 C ATOM 541 CG1 ILE A 39 13.855 -19.394 -4.350 1.00 71.41 C ATOM 542 CG2 ILE A 39 14.640 -17.539 -5.845 1.00 61.42 C ATOM 543 CD1 ILE A 39 13.534 -20.864 -4.189 1.00 1.12 C ATOM 0 H ILE A 39 14.706 -21.074 -7.584 1.00 30.03 H new ATOM 0 HA ILE A 39 12.460 -19.515 -6.475 1.00 2.31 H new ATOM 0 HB ILE A 39 15.391 -19.536 -5.835 1.00 2.23 H new ATOM 0 HG12 ILE A 39 14.570 -19.100 -3.582 1.00 71.41 H new ATOM 0 HG13 ILE A 39 12.949 -18.812 -4.181 1.00 71.41 H new ATOM 0 HG21 ILE A 39 15.306 -17.202 -5.051 1.00 61.42 H new ATOM 0 HG22 ILE A 39 15.086 -17.311 -6.813 1.00 61.42 H new ATOM 0 HG23 ILE A 39 13.682 -17.027 -5.757 1.00 61.42 H new ATOM 0 HD11 ILE A 39 13.134 -21.042 -3.191 1.00 1.12 H new ATOM 0 HD12 ILE A 39 12.795 -21.159 -4.934 1.00 1.12 H new ATOM 0 HD13 ILE A 39 14.442 -21.452 -4.326 1.00 1.12 H new ATOM 555 N LYS A 40 12.711 -17.654 -8.150 1.00 44.41 N ATOM 556 CA LYS A 40 12.726 -16.704 -9.257 1.00 34.42 C ATOM 557 C LYS A 40 12.351 -15.305 -8.778 1.00 64.22 C ATOM 558 O LYS A 40 11.254 -15.087 -8.265 1.00 51.52 O ATOM 559 CB LYS A 40 11.759 -17.155 -10.355 1.00 1.15 C ATOM 560 CG LYS A 40 12.275 -16.902 -11.761 1.00 23.45 C ATOM 561 CD LYS A 40 11.154 -16.494 -12.701 1.00 41.22 C ATOM 562 CE LYS A 40 11.343 -17.092 -14.087 1.00 3.12 C ATOM 563 NZ LYS A 40 10.235 -16.718 -15.008 1.00 40.24 N ATOM 0 H LYS A 40 11.956 -17.508 -7.480 1.00 44.41 H new ATOM 0 HA LYS A 40 13.737 -16.671 -9.662 1.00 34.42 H new ATOM 0 HB2 LYS A 40 11.559 -18.220 -10.236 1.00 1.15 H new ATOM 0 HB3 LYS A 40 10.809 -16.636 -10.227 1.00 1.15 H new ATOM 0 HG2 LYS A 40 13.033 -16.119 -11.736 1.00 23.45 H new ATOM 0 HG3 LYS A 40 12.759 -17.802 -12.139 1.00 23.45 H new ATOM 0 HD2 LYS A 40 10.198 -16.819 -12.291 1.00 41.22 H new ATOM 0 HD3 LYS A 40 11.117 -15.407 -12.775 1.00 41.22 H new ATOM 0 HE2 LYS A 40 12.291 -16.752 -14.503 1.00 3.12 H new ATOM 0 HE3 LYS A 40 11.400 -18.178 -14.009 1.00 3.12 H new ATOM 0 HZ1 LYS A 40 10.401 -17.145 -15.942 1.00 40.24 H new ATOM 0 HZ2 LYS A 40 9.333 -17.064 -14.624 1.00 40.24 H new ATOM 0 HZ3 LYS A 40 10.196 -15.683 -15.102 1.00 40.24 H new ATOM 577 N VAL A 41 13.270 -14.360 -8.951 1.00 22.22 N ATOM 578 CA VAL A 41 13.035 -12.981 -8.539 1.00 25.41 C ATOM 579 C VAL A 41 13.125 -12.030 -9.727 1.00 31.11 C ATOM 580 O VAL A 41 13.989 -12.177 -10.591 1.00 25.40 O ATOM 581 CB VAL A 41 14.044 -12.538 -7.463 1.00 2.42 C ATOM 582 CG1 VAL A 41 15.456 -12.519 -8.029 1.00 72.41 C ATOM 583 CG2 VAL A 41 13.665 -11.172 -6.909 1.00 25.42 C ATOM 0 H VAL A 41 14.184 -14.524 -9.373 1.00 22.22 H new ATOM 0 HA VAL A 41 12.029 -12.942 -8.122 1.00 25.41 H new ATOM 0 HB VAL A 41 14.016 -13.258 -6.645 1.00 2.42 H new ATOM 0 HG11 VAL A 41 16.154 -12.204 -7.254 1.00 72.41 H new ATOM 0 HG12 VAL A 41 15.723 -13.518 -8.374 1.00 72.41 H new ATOM 0 HG13 VAL A 41 15.503 -11.822 -8.866 1.00 72.41 H new ATOM 0 HG21 VAL A 41 14.388 -10.874 -6.150 1.00 25.42 H new ATOM 0 HG22 VAL A 41 13.663 -10.440 -7.716 1.00 25.42 H new ATOM 0 HG23 VAL A 41 12.672 -11.223 -6.464 1.00 25.42 H new ATOM 593 N LYS A 42 12.226 -11.053 -9.764 1.00 54.30 N ATOM 594 CA LYS A 42 12.202 -10.074 -10.845 1.00 24.41 C ATOM 595 C LYS A 42 11.860 -8.686 -10.315 1.00 4.35 C ATOM 596 O LYS A 42 11.141 -7.924 -10.961 1.00 32.15 O ATOM 597 CB LYS A 42 11.188 -10.488 -11.913 1.00 72.03 C ATOM 598 CG LYS A 42 11.602 -10.109 -13.325 1.00 11.14 C ATOM 599 CD LYS A 42 12.093 -11.317 -14.105 1.00 53.42 C ATOM 600 CE LYS A 42 13.607 -11.442 -14.044 1.00 23.13 C ATOM 601 NZ LYS A 42 14.257 -10.932 -15.283 1.00 11.44 N ATOM 0 H LYS A 42 11.503 -10.918 -9.057 1.00 54.30 H new ATOM 0 HA LYS A 42 13.196 -10.038 -11.291 1.00 24.41 H new ATOM 0 HB2 LYS A 42 11.041 -11.567 -11.864 1.00 72.03 H new ATOM 0 HB3 LYS A 42 10.227 -10.025 -11.689 1.00 72.03 H new ATOM 0 HG2 LYS A 42 10.756 -9.658 -13.845 1.00 11.14 H new ATOM 0 HG3 LYS A 42 12.389 -9.356 -13.285 1.00 11.14 H new ATOM 0 HD2 LYS A 42 11.636 -12.221 -13.703 1.00 53.42 H new ATOM 0 HD3 LYS A 42 11.775 -11.234 -15.144 1.00 53.42 H new ATOM 0 HE2 LYS A 42 13.982 -10.889 -13.183 1.00 23.13 H new ATOM 0 HE3 LYS A 42 13.879 -12.487 -13.895 1.00 23.13 H new ATOM 0 HZ1 LYS A 42 15.289 -11.035 -15.201 1.00 11.44 H new ATOM 0 HZ2 LYS A 42 13.918 -11.476 -16.102 1.00 11.44 H new ATOM 0 HZ3 LYS A 42 14.019 -9.928 -15.412 1.00 11.44 H new ATOM 615 N SER A 43 12.382 -8.362 -9.135 1.00 61.45 N ATOM 616 CA SER A 43 12.130 -7.066 -8.518 1.00 12.14 C ATOM 617 C SER A 43 12.696 -7.020 -7.102 1.00 10.44 C ATOM 618 O SER A 43 12.191 -7.683 -6.197 1.00 63.52 O ATOM 619 CB SER A 43 10.628 -6.775 -8.488 1.00 42.34 C ATOM 620 OG SER A 43 10.297 -5.713 -9.366 1.00 45.35 O ATOM 0 H SER A 43 12.982 -8.980 -8.588 1.00 61.45 H new ATOM 0 HA SER A 43 12.629 -6.303 -9.116 1.00 12.14 H new ATOM 0 HB2 SER A 43 10.075 -7.671 -8.771 1.00 42.34 H new ATOM 0 HB3 SER A 43 10.324 -6.520 -7.473 1.00 42.34 H new ATOM 0 HG SER A 43 10.410 -6.008 -10.294 1.00 45.35 H new ATOM 626 N GLY A 44 13.749 -6.229 -6.918 1.00 23.24 N ATOM 627 CA GLY A 44 14.368 -6.110 -5.610 1.00 71.02 C ATOM 628 C GLY A 44 15.316 -7.254 -5.311 1.00 31.31 C ATOM 629 O GLY A 44 15.807 -7.919 -6.224 1.00 23.24 O ATOM 0 H GLY A 44 14.184 -5.669 -7.651 1.00 23.24 H new ATOM 0 HA2 GLY A 44 14.912 -5.167 -5.553 1.00 71.02 H new ATOM 0 HA3 GLY A 44 13.592 -6.076 -4.846 1.00 71.02 H new ATOM 633 N THR A 45 15.576 -7.485 -4.028 1.00 3.03 N ATOM 634 CA THR A 45 16.474 -8.554 -3.610 1.00 70.52 C ATOM 635 C THR A 45 16.089 -9.091 -2.236 1.00 54.14 C ATOM 636 O THR A 45 15.944 -8.329 -1.281 1.00 14.14 O ATOM 637 CB THR A 45 17.937 -8.076 -3.570 1.00 5.22 C ATOM 638 OG1 THR A 45 18.085 -7.033 -2.600 1.00 2.04 O ATOM 639 CG2 THR A 45 18.380 -7.571 -4.935 1.00 72.51 C ATOM 0 H THR A 45 15.177 -6.945 -3.260 1.00 3.03 H new ATOM 0 HA THR A 45 16.380 -9.351 -4.348 1.00 70.52 H new ATOM 0 HB THR A 45 18.565 -8.923 -3.292 1.00 5.22 H new ATOM 0 HG1 THR A 45 17.540 -7.239 -1.812 1.00 2.04 H new ATOM 0 HG21 THR A 45 19.417 -7.239 -4.881 1.00 72.51 H new ATOM 0 HG22 THR A 45 18.294 -8.375 -5.666 1.00 72.51 H new ATOM 0 HG23 THR A 45 17.747 -6.737 -5.237 1.00 72.51 H new ATOM 647 N TRP A 46 15.925 -10.406 -2.145 1.00 13.42 N ATOM 648 CA TRP A 46 15.557 -11.044 -0.886 1.00 15.20 C ATOM 649 C TRP A 46 16.794 -11.523 -0.136 1.00 65.42 C ATOM 650 O TRP A 46 17.882 -11.612 -0.707 1.00 54.32 O ATOM 651 CB TRP A 46 14.614 -12.220 -1.144 1.00 34.33 C ATOM 652 CG TRP A 46 13.746 -12.033 -2.352 1.00 2.25 C ATOM 653 CD1 TRP A 46 13.271 -10.851 -2.843 1.00 54.15 C ATOM 654 CD2 TRP A 46 13.250 -13.059 -3.218 1.00 10.02 C ATOM 655 NE1 TRP A 46 12.509 -11.081 -3.964 1.00 15.44 N ATOM 656 CE2 TRP A 46 12.481 -12.427 -4.215 1.00 1.14 C ATOM 657 CE3 TRP A 46 13.382 -14.450 -3.250 1.00 0.30 C ATOM 658 CZ2 TRP A 46 11.847 -13.139 -5.229 1.00 64.41 C ATOM 659 CZ3 TRP A 46 12.752 -15.155 -4.257 1.00 62.54 C ATOM 660 CH2 TRP A 46 11.993 -14.500 -5.236 1.00 45.02 C ATOM 0 H TRP A 46 16.041 -11.051 -2.927 1.00 13.42 H new ATOM 0 HA TRP A 46 15.045 -10.305 -0.269 1.00 15.20 H new ATOM 0 HB2 TRP A 46 15.203 -13.129 -1.266 1.00 34.33 H new ATOM 0 HB3 TRP A 46 13.980 -12.367 -0.269 1.00 34.33 H new ATOM 0 HD1 TRP A 46 13.465 -9.879 -2.414 1.00 54.15 H new ATOM 0 HE1 TRP A 46 12.040 -10.365 -4.519 1.00 15.44 H new ATOM 0 HE3 TRP A 46 13.966 -14.964 -2.501 1.00 0.30 H new ATOM 0 HZ2 TRP A 46 11.261 -12.636 -5.983 1.00 64.41 H new ATOM 0 HZ3 TRP A 46 12.846 -16.230 -4.290 1.00 62.54 H new ATOM 0 HH2 TRP A 46 11.514 -15.080 -6.011 1.00 45.02 H new ATOM 671 N ARG A 47 16.623 -11.832 1.145 1.00 54.00 N ATOM 672 CA ARG A 47 17.727 -12.302 1.973 1.00 41.35 C ATOM 673 C ARG A 47 17.441 -13.696 2.521 1.00 35.41 C ATOM 674 O ARG A 47 16.490 -13.894 3.278 1.00 74.02 O ATOM 675 CB ARG A 47 17.977 -11.329 3.127 1.00 71.42 C ATOM 676 CG ARG A 47 18.442 -9.955 2.675 1.00 0.43 C ATOM 677 CD ARG A 47 17.320 -8.931 2.760 1.00 24.34 C ATOM 678 NE ARG A 47 17.307 -8.239 4.046 1.00 24.13 N ATOM 679 CZ ARG A 47 18.128 -7.240 4.351 1.00 11.13 C ATOM 680 NH1 ARG A 47 19.021 -6.818 3.467 1.00 25.13 N ATOM 681 NH2 ARG A 47 18.055 -6.660 5.543 1.00 61.14 N ATOM 0 H ARG A 47 15.730 -11.765 1.632 1.00 54.00 H new ATOM 0 HA ARG A 47 18.620 -12.352 1.350 1.00 41.35 H new ATOM 0 HB2 ARG A 47 17.059 -11.221 3.705 1.00 71.42 H new ATOM 0 HB3 ARG A 47 18.726 -11.755 3.795 1.00 71.42 H new ATOM 0 HG2 ARG A 47 19.279 -9.631 3.294 1.00 0.43 H new ATOM 0 HG3 ARG A 47 18.807 -10.012 1.649 1.00 0.43 H new ATOM 0 HD2 ARG A 47 17.433 -8.202 1.957 1.00 24.34 H new ATOM 0 HD3 ARG A 47 16.363 -9.429 2.606 1.00 24.34 H new ATOM 0 HE ARG A 47 16.631 -8.539 4.748 1.00 24.13 H new ATOM 0 HH11 ARG A 47 19.079 -7.260 2.550 1.00 25.13 H new ATOM 0 HH12 ARG A 47 19.650 -6.051 3.704 1.00 25.13 H new ATOM 0 HH21 ARG A 47 17.368 -6.981 6.225 1.00 61.14 H new ATOM 0 HH22 ARG A 47 18.686 -5.893 5.776 1.00 61.14 H new ATOM 695 N PHE A 48 18.269 -14.661 2.134 1.00 50.31 N ATOM 696 CA PHE A 48 18.104 -16.037 2.585 1.00 31.45 C ATOM 697 C PHE A 48 19.153 -16.395 3.634 1.00 30.32 C ATOM 698 O PHE A 48 20.353 -16.242 3.405 1.00 10.12 O ATOM 699 CB PHE A 48 18.202 -17.000 1.400 1.00 31.44 C ATOM 700 CG PHE A 48 16.881 -17.591 0.997 1.00 21.13 C ATOM 701 CD1 PHE A 48 16.358 -18.680 1.676 1.00 64.31 C ATOM 702 CD2 PHE A 48 16.162 -17.057 -0.060 1.00 30.13 C ATOM 703 CE1 PHE A 48 15.144 -19.226 1.306 1.00 33.23 C ATOM 704 CE2 PHE A 48 14.946 -17.599 -0.434 1.00 4.55 C ATOM 705 CZ PHE A 48 14.436 -18.684 0.251 1.00 2.12 C ATOM 0 H PHE A 48 19.061 -14.515 1.509 1.00 50.31 H new ATOM 0 HA PHE A 48 17.117 -16.129 3.038 1.00 31.45 H new ATOM 0 HB2 PHE A 48 18.630 -16.472 0.548 1.00 31.44 H new ATOM 0 HB3 PHE A 48 18.890 -17.807 1.654 1.00 31.44 H new ATOM 0 HD1 PHE A 48 16.905 -19.107 2.504 1.00 64.31 H new ATOM 0 HD2 PHE A 48 16.556 -16.207 -0.598 1.00 30.13 H new ATOM 0 HE1 PHE A 48 14.749 -20.076 1.842 1.00 33.23 H new ATOM 0 HE2 PHE A 48 14.396 -17.174 -1.261 1.00 4.55 H new ATOM 0 HZ PHE A 48 13.486 -19.108 -0.037 1.00 2.12 H new ATOM 715 N TYR A 49 18.691 -16.872 4.785 1.00 65.22 N ATOM 716 CA TYR A 49 19.589 -17.249 5.871 1.00 74.24 C ATOM 717 C TYR A 49 19.097 -18.513 6.569 1.00 21.33 C ATOM 718 O TYR A 49 17.954 -18.582 7.018 1.00 14.04 O ATOM 719 CB TYR A 49 19.707 -16.108 6.882 1.00 45.32 C ATOM 720 CG TYR A 49 18.508 -15.187 6.900 1.00 71.42 C ATOM 721 CD1 TYR A 49 18.431 -14.097 6.043 1.00 42.43 C ATOM 722 CD2 TYR A 49 17.451 -15.409 7.774 1.00 74.54 C ATOM 723 CE1 TYR A 49 17.337 -13.253 6.056 1.00 5.15 C ATOM 724 CE2 TYR A 49 16.352 -14.572 7.793 1.00 2.23 C ATOM 725 CZ TYR A 49 16.301 -13.495 6.933 1.00 15.33 C ATOM 726 OH TYR A 49 15.209 -12.657 6.949 1.00 34.40 O ATOM 0 H TYR A 49 17.701 -17.007 4.990 1.00 65.22 H new ATOM 0 HA TYR A 49 20.571 -17.450 5.444 1.00 74.24 H new ATOM 0 HB2 TYR A 49 19.846 -16.529 7.878 1.00 45.32 H new ATOM 0 HB3 TYR A 49 20.599 -15.524 6.656 1.00 45.32 H new ATOM 0 HD1 TYR A 49 19.240 -13.906 5.354 1.00 42.43 H new ATOM 0 HD2 TYR A 49 17.489 -16.250 8.450 1.00 74.54 H new ATOM 0 HE1 TYR A 49 17.294 -12.409 5.383 1.00 5.15 H new ATOM 0 HE2 TYR A 49 15.538 -14.760 8.477 1.00 2.23 H new ATOM 0 HH TYR A 49 14.569 -12.967 7.623 1.00 34.40 H new ATOM 736 N GLU A 50 19.971 -19.511 6.657 1.00 22.10 N ATOM 737 CA GLU A 50 19.627 -20.773 7.301 1.00 75.33 C ATOM 738 C GLU A 50 20.182 -20.829 8.721 1.00 70.21 C ATOM 739 O GLU A 50 21.295 -21.306 8.946 1.00 73.04 O ATOM 740 CB GLU A 50 20.164 -21.951 6.485 1.00 55.14 C ATOM 741 CG GLU A 50 19.310 -22.293 5.275 1.00 40.42 C ATOM 742 CD GLU A 50 19.155 -21.124 4.322 1.00 52.45 C ATOM 743 OE1 GLU A 50 18.242 -20.299 4.539 1.00 63.04 O ATOM 744 OE2 GLU A 50 19.945 -21.033 3.359 1.00 70.41 O ATOM 0 H GLU A 50 20.922 -19.470 6.291 1.00 22.10 H new ATOM 0 HA GLU A 50 18.540 -20.841 7.351 1.00 75.33 H new ATOM 0 HB2 GLU A 50 21.176 -21.720 6.152 1.00 55.14 H new ATOM 0 HB3 GLU A 50 20.233 -22.827 7.130 1.00 55.14 H new ATOM 0 HG2 GLU A 50 19.758 -23.133 4.744 1.00 40.42 H new ATOM 0 HG3 GLU A 50 18.325 -22.617 5.610 1.00 40.42 H new ATOM 751 N TYR A 51 19.399 -20.338 9.675 1.00 25.24 N ATOM 752 CA TYR A 51 19.813 -20.329 11.074 1.00 43.05 C ATOM 753 C TYR A 51 18.778 -19.623 11.943 1.00 12.15 C ATOM 754 O TYR A 51 17.806 -19.060 11.438 1.00 43.11 O ATOM 755 CB TYR A 51 21.172 -19.643 11.220 1.00 4.34 C ATOM 756 CG TYR A 51 22.189 -20.468 11.976 1.00 61.42 C ATOM 757 CD1 TYR A 51 22.260 -20.421 13.362 1.00 3.24 C ATOM 758 CD2 TYR A 51 23.078 -21.297 11.302 1.00 22.23 C ATOM 759 CE1 TYR A 51 23.188 -21.173 14.056 1.00 2.13 C ATOM 760 CE2 TYR A 51 24.009 -22.054 11.988 1.00 34.01 C ATOM 761 CZ TYR A 51 24.060 -21.988 13.365 1.00 71.11 C ATOM 762 OH TYR A 51 24.985 -22.740 14.053 1.00 52.15 O ATOM 0 H TYR A 51 18.475 -19.941 9.506 1.00 25.24 H new ATOM 0 HA TYR A 51 19.897 -21.363 11.409 1.00 43.05 H new ATOM 0 HB2 TYR A 51 21.564 -19.418 10.228 1.00 4.34 H new ATOM 0 HB3 TYR A 51 21.036 -18.691 11.733 1.00 4.34 H new ATOM 0 HD1 TYR A 51 21.578 -19.785 13.907 1.00 3.24 H new ATOM 0 HD2 TYR A 51 23.041 -21.351 10.224 1.00 22.23 H new ATOM 0 HE1 TYR A 51 23.230 -21.123 15.134 1.00 2.13 H new ATOM 0 HE2 TYR A 51 24.693 -22.693 11.449 1.00 34.01 H new ATOM 0 HH TYR A 51 25.521 -23.260 13.418 1.00 52.15 H new ATOM 772 N ILE A 52 18.994 -19.657 13.254 1.00 34.21 N ATOM 773 CA ILE A 52 18.081 -19.020 14.195 1.00 40.30 C ATOM 774 C ILE A 52 17.829 -17.564 13.816 1.00 73.42 C ATOM 775 O ILE A 52 18.463 -17.030 12.907 1.00 23.33 O ATOM 776 CB ILE A 52 18.626 -19.076 15.634 1.00 22.33 C ATOM 777 CG1 ILE A 52 19.870 -18.194 15.767 1.00 75.50 C ATOM 778 CG2 ILE A 52 18.944 -20.512 16.024 1.00 24.00 C ATOM 779 CD1 ILE A 52 20.439 -18.160 17.168 1.00 51.31 C ATOM 0 H ILE A 52 19.793 -20.119 13.688 1.00 34.21 H new ATOM 0 HA ILE A 52 17.143 -19.574 14.148 1.00 40.30 H new ATOM 0 HB ILE A 52 17.861 -18.697 16.311 1.00 22.33 H new ATOM 0 HG12 ILE A 52 20.636 -18.555 15.081 1.00 75.50 H new ATOM 0 HG13 ILE A 52 19.620 -17.178 15.460 1.00 75.50 H new ATOM 0 HG21 ILE A 52 19.328 -20.535 17.044 1.00 24.00 H new ATOM 0 HG22 ILE A 52 18.038 -21.115 15.964 1.00 24.00 H new ATOM 0 HG23 ILE A 52 19.694 -20.916 15.344 1.00 24.00 H new ATOM 0 HD11 ILE A 52 21.318 -17.516 17.188 1.00 51.31 H new ATOM 0 HD12 ILE A 52 19.689 -17.771 17.856 1.00 51.31 H new ATOM 0 HD13 ILE A 52 20.721 -19.168 17.471 1.00 51.31 H new ATOM 791 N ASN A 53 16.898 -16.928 14.520 1.00 44.20 N ATOM 792 CA ASN A 53 16.563 -15.533 14.258 1.00 13.11 C ATOM 793 C ASN A 53 17.625 -14.601 14.833 1.00 13.32 C ATOM 794 O ASN A 53 17.321 -13.717 15.635 1.00 44.54 O ATOM 795 CB ASN A 53 15.195 -15.195 14.854 1.00 33.35 C ATOM 796 CG ASN A 53 14.710 -13.817 14.447 1.00 64.44 C ATOM 797 OD1 ASN A 53 15.090 -13.299 13.396 1.00 21.42 O ATOM 798 ND2 ASN A 53 13.867 -13.217 15.278 1.00 3.43 N ATOM 0 H ASN A 53 16.363 -17.356 15.275 1.00 44.20 H new ATOM 0 HA ASN A 53 16.527 -15.391 13.178 1.00 13.11 H new ATOM 0 HB2 ASN A 53 14.468 -15.942 14.534 1.00 33.35 H new ATOM 0 HB3 ASN A 53 15.252 -15.250 15.941 1.00 33.35 H new ATOM 0 HD21 ASN A 53 13.507 -12.289 15.057 1.00 3.43 H new ATOM 0 HD22 ASN A 53 13.579 -13.684 16.138 1.00 3.43 H new ATOM 805 N TYR A 54 18.870 -14.804 14.418 1.00 30.32 N ATOM 806 CA TYR A 54 19.978 -13.984 14.893 1.00 53.40 C ATOM 807 C TYR A 54 21.067 -13.871 13.830 1.00 15.43 C ATOM 808 O TYR A 54 21.272 -12.808 13.246 1.00 10.42 O ATOM 809 CB TYR A 54 20.562 -14.573 16.178 1.00 45.13 C ATOM 810 CG TYR A 54 19.633 -14.476 17.366 1.00 1.44 C ATOM 811 CD1 TYR A 54 18.663 -15.444 17.595 1.00 11.44 C ATOM 812 CD2 TYR A 54 19.724 -13.415 18.260 1.00 63.53 C ATOM 813 CE1 TYR A 54 17.811 -15.359 18.680 1.00 41.43 C ATOM 814 CE2 TYR A 54 18.878 -13.323 19.347 1.00 32.14 C ATOM 815 CZ TYR A 54 17.923 -14.297 19.553 1.00 12.20 C ATOM 816 OH TYR A 54 17.077 -14.208 20.635 1.00 54.35 O ATOM 0 H TYR A 54 19.138 -15.530 13.753 1.00 30.32 H new ATOM 0 HA TYR A 54 19.594 -12.985 15.101 1.00 53.40 H new ATOM 0 HB2 TYR A 54 20.811 -15.620 16.007 1.00 45.13 H new ATOM 0 HB3 TYR A 54 21.493 -14.058 16.413 1.00 45.13 H new ATOM 0 HD1 TYR A 54 18.573 -16.277 16.914 1.00 11.44 H new ATOM 0 HD2 TYR A 54 20.469 -12.650 18.101 1.00 63.53 H new ATOM 0 HE1 TYR A 54 17.062 -16.120 18.843 1.00 41.43 H new ATOM 0 HE2 TYR A 54 18.963 -12.493 20.033 1.00 32.14 H new ATOM 0 HH TYR A 54 17.289 -13.402 21.150 1.00 54.35 H new ATOM 826 N GLY A 55 21.762 -14.977 13.585 1.00 70.02 N ATOM 827 CA GLY A 55 22.821 -14.983 12.593 1.00 42.43 C ATOM 828 C GLY A 55 22.518 -15.901 11.426 1.00 55.24 C ATOM 829 O GLY A 55 21.401 -15.911 10.909 1.00 62.12 O ATOM 0 H GLY A 55 21.611 -15.869 14.056 1.00 70.02 H new ATOM 0 HA2 GLY A 55 22.974 -13.969 12.223 1.00 42.43 H new ATOM 0 HA3 GLY A 55 23.753 -15.295 13.064 1.00 42.43 H new ATOM 833 N GLY A 56 23.515 -16.674 11.007 1.00 3.04 N ATOM 834 CA GLY A 56 23.330 -17.588 9.895 1.00 12.24 C ATOM 835 C GLY A 56 24.024 -17.114 8.634 1.00 72.22 C ATOM 836 O GLY A 56 24.607 -16.030 8.608 1.00 61.42 O ATOM 0 H GLY A 56 24.448 -16.684 11.418 1.00 3.04 H new ATOM 0 HA2 GLY A 56 23.713 -18.571 10.169 1.00 12.24 H new ATOM 0 HA3 GLY A 56 22.264 -17.704 9.698 1.00 12.24 H new ATOM 840 N ARG A 57 23.963 -17.929 7.585 1.00 13.34 N ATOM 841 CA ARG A 57 24.593 -17.588 6.316 1.00 71.14 C ATOM 842 C ARG A 57 23.743 -16.588 5.538 1.00 53.13 C ATOM 843 O ARG A 57 22.729 -16.951 4.941 1.00 60.32 O ATOM 844 CB ARG A 57 24.812 -18.848 5.477 1.00 65.33 C ATOM 845 CG ARG A 57 23.557 -19.685 5.294 1.00 54.32 C ATOM 846 CD ARG A 57 23.083 -19.670 3.849 1.00 51.21 C ATOM 847 NE ARG A 57 23.759 -20.681 3.041 1.00 43.13 N ATOM 848 CZ ARG A 57 23.408 -21.962 3.021 1.00 0.22 C ATOM 849 NH1 ARG A 57 22.393 -22.386 3.761 1.00 0.34 N ATOM 850 NH2 ARG A 57 24.072 -22.822 2.260 1.00 44.33 N ATOM 0 H ARG A 57 23.484 -18.829 7.590 1.00 13.34 H new ATOM 0 HA ARG A 57 25.558 -17.129 6.530 1.00 71.14 H new ATOM 0 HB2 ARG A 57 25.192 -18.560 4.497 1.00 65.33 H new ATOM 0 HB3 ARG A 57 25.580 -19.460 5.950 1.00 65.33 H new ATOM 0 HG2 ARG A 57 23.755 -20.712 5.602 1.00 54.32 H new ATOM 0 HG3 ARG A 57 22.767 -19.304 5.941 1.00 54.32 H new ATOM 0 HD2 ARG A 57 22.007 -19.842 3.819 1.00 51.21 H new ATOM 0 HD3 ARG A 57 23.261 -18.684 3.419 1.00 51.21 H new ATOM 0 HE ARG A 57 24.544 -20.387 2.460 1.00 43.13 H new ATOM 0 HH11 ARG A 57 21.880 -21.728 4.347 1.00 0.34 H new ATOM 0 HH12 ARG A 57 22.125 -23.370 3.744 1.00 0.34 H new ATOM 0 HH21 ARG A 57 24.853 -22.500 1.689 1.00 44.33 H new ATOM 0 HH22 ARG A 57 23.801 -23.805 2.246 1.00 44.33 H new ATOM 864 N TYR A 58 24.162 -15.328 5.550 1.00 43.45 N ATOM 865 CA TYR A 58 23.438 -14.274 4.848 1.00 61.41 C ATOM 866 C TYR A 58 23.717 -14.327 3.349 1.00 74.42 C ATOM 867 O TYR A 58 24.801 -13.962 2.894 1.00 14.34 O ATOM 868 CB TYR A 58 23.827 -12.903 5.402 1.00 2.20 C ATOM 869 CG TYR A 58 23.485 -11.757 4.477 1.00 11.20 C ATOM 870 CD1 TYR A 58 22.238 -11.676 3.870 1.00 32.41 C ATOM 871 CD2 TYR A 58 24.409 -10.754 4.211 1.00 52.51 C ATOM 872 CE1 TYR A 58 21.921 -10.632 3.024 1.00 43.53 C ATOM 873 CE2 TYR A 58 24.100 -9.704 3.367 1.00 25.10 C ATOM 874 CZ TYR A 58 22.856 -9.648 2.776 1.00 53.25 C ATOM 875 OH TYR A 58 22.544 -8.605 1.934 1.00 13.52 O ATOM 0 H TYR A 58 25.000 -15.011 6.038 1.00 43.45 H new ATOM 0 HA TYR A 58 22.371 -14.433 5.007 1.00 61.41 H new ATOM 0 HB2 TYR A 58 23.324 -12.750 6.357 1.00 2.20 H new ATOM 0 HB3 TYR A 58 24.899 -12.891 5.600 1.00 2.20 H new ATOM 0 HD1 TYR A 58 21.503 -12.444 4.063 1.00 32.41 H new ATOM 0 HD2 TYR A 58 25.385 -10.796 4.671 1.00 52.51 H new ATOM 0 HE1 TYR A 58 20.947 -10.586 2.559 1.00 43.53 H new ATOM 0 HE2 TYR A 58 24.829 -8.932 3.172 1.00 25.10 H new ATOM 0 HH TYR A 58 22.654 -8.892 1.003 1.00 13.52 H new ATOM 885 N TRP A 59 22.730 -14.785 2.587 1.00 52.43 N ATOM 886 CA TRP A 59 22.867 -14.885 1.138 1.00 20.41 C ATOM 887 C TRP A 59 21.626 -14.347 0.435 1.00 41.41 C ATOM 888 O TRP A 59 20.573 -14.985 0.438 1.00 2.34 O ATOM 889 CB TRP A 59 23.110 -16.339 0.728 1.00 1.21 C ATOM 890 CG TRP A 59 22.653 -16.647 -0.666 1.00 21.24 C ATOM 891 CD1 TRP A 59 23.214 -16.204 -1.829 1.00 42.31 C ATOM 892 CD2 TRP A 59 21.539 -17.465 -1.041 1.00 42.50 C ATOM 893 NE1 TRP A 59 22.516 -16.696 -2.905 1.00 61.23 N ATOM 894 CE2 TRP A 59 21.485 -17.473 -2.449 1.00 35.24 C ATOM 895 CE3 TRP A 59 20.584 -18.192 -0.326 1.00 1.54 C ATOM 896 CZ2 TRP A 59 20.512 -18.179 -3.151 1.00 73.31 C ATOM 897 CZ3 TRP A 59 19.619 -18.892 -1.024 1.00 41.42 C ATOM 898 CH2 TRP A 59 19.589 -18.882 -2.425 1.00 70.31 C ATOM 0 H TRP A 59 21.827 -15.093 2.948 1.00 52.43 H new ATOM 0 HA TRP A 59 23.723 -14.281 0.836 1.00 20.41 H new ATOM 0 HB2 TRP A 59 24.174 -16.559 0.811 1.00 1.21 H new ATOM 0 HB3 TRP A 59 22.593 -16.997 1.426 1.00 1.21 H new ATOM 0 HD1 TRP A 59 24.079 -15.561 -1.894 1.00 42.31 H new ATOM 0 HE1 TRP A 59 22.731 -16.512 -3.885 1.00 61.23 H new ATOM 0 HE3 TRP A 59 20.600 -18.207 0.754 1.00 1.54 H new ATOM 0 HZ2 TRP A 59 20.486 -18.172 -4.231 1.00 73.31 H new ATOM 0 HZ3 TRP A 59 18.875 -19.456 -0.481 1.00 41.42 H new ATOM 0 HH2 TRP A 59 18.822 -19.440 -2.942 1.00 70.31 H new ATOM 909 N ASP A 60 21.757 -13.170 -0.167 1.00 53.31 N ATOM 910 CA ASP A 60 20.645 -12.546 -0.876 1.00 2.01 C ATOM 911 C ASP A 60 20.659 -12.929 -2.352 1.00 72.15 C ATOM 912 O ASP A 60 21.711 -12.938 -2.993 1.00 51.50 O ATOM 913 CB ASP A 60 20.709 -11.025 -0.730 1.00 40.23 C ATOM 914 CG ASP A 60 22.098 -10.476 -0.990 1.00 61.04 C ATOM 915 OD1 ASP A 60 22.933 -10.513 -0.063 1.00 64.00 O ATOM 916 OD2 ASP A 60 22.350 -10.009 -2.121 1.00 52.21 O ATOM 0 H ASP A 60 22.621 -12.629 -0.178 1.00 53.31 H new ATOM 0 HA ASP A 60 19.716 -12.907 -0.434 1.00 2.01 H new ATOM 0 HB2 ASP A 60 20.005 -10.566 -1.424 1.00 40.23 H new ATOM 0 HB3 ASP A 60 20.394 -10.746 0.275 1.00 40.23 H new ATOM 921 N LEU A 61 19.485 -13.247 -2.887 1.00 12.33 N ATOM 922 CA LEU A 61 19.361 -13.632 -4.288 1.00 61.12 C ATOM 923 C LEU A 61 18.861 -12.464 -5.132 1.00 61.01 C ATOM 924 O LEU A 61 17.996 -11.701 -4.704 1.00 71.32 O ATOM 925 CB LEU A 61 18.409 -14.822 -4.428 1.00 45.54 C ATOM 926 CG LEU A 61 16.938 -14.543 -4.121 1.00 33.51 C ATOM 927 CD1 LEU A 61 16.104 -14.615 -5.391 1.00 3.31 C ATOM 928 CD2 LEU A 61 16.415 -15.525 -3.082 1.00 62.21 C ATOM 0 H LEU A 61 18.605 -13.246 -2.371 1.00 12.33 H new ATOM 0 HA LEU A 61 20.348 -13.920 -4.649 1.00 61.12 H new ATOM 0 HB2 LEU A 61 18.481 -15.202 -5.447 1.00 45.54 H new ATOM 0 HB3 LEU A 61 18.753 -15.617 -3.767 1.00 45.54 H new ATOM 0 HG LEU A 61 16.857 -13.535 -3.714 1.00 33.51 H new ATOM 0 HD11 LEU A 61 15.060 -14.414 -5.152 1.00 3.31 H new ATOM 0 HD12 LEU A 61 16.463 -13.873 -6.104 1.00 3.31 H new ATOM 0 HD13 LEU A 61 16.191 -15.610 -5.828 1.00 3.31 H new ATOM 0 HD21 LEU A 61 15.366 -15.312 -2.875 1.00 62.21 H new ATOM 0 HD22 LEU A 61 16.510 -16.542 -3.462 1.00 62.21 H new ATOM 0 HD23 LEU A 61 16.993 -15.425 -2.163 1.00 62.21 H new ATOM 940 N GLY A 62 19.411 -12.332 -6.336 1.00 0.45 N ATOM 941 CA GLY A 62 19.007 -11.256 -7.222 1.00 10.45 C ATOM 942 C GLY A 62 18.492 -11.764 -8.554 1.00 4.23 C ATOM 943 O GLY A 62 18.189 -12.946 -8.716 1.00 52.11 O ATOM 0 H GLY A 62 20.129 -12.951 -6.713 1.00 0.45 H new ATOM 0 HA2 GLY A 62 18.231 -10.663 -6.738 1.00 10.45 H new ATOM 0 HA3 GLY A 62 19.855 -10.593 -7.393 1.00 10.45 H new ATOM 947 N PRO A 63 18.387 -10.857 -9.536 1.00 73.15 N ATOM 948 CA PRO A 63 17.904 -11.197 -10.878 1.00 40.23 C ATOM 949 C PRO A 63 18.443 -12.537 -11.366 1.00 62.13 C ATOM 950 O PRO A 63 19.606 -12.646 -11.754 1.00 12.44 O ATOM 951 CB PRO A 63 18.440 -10.056 -11.747 1.00 60.43 C ATOM 952 CG PRO A 63 18.582 -8.904 -10.814 1.00 42.32 C ATOM 953 CD PRO A 63 18.731 -9.431 -9.414 1.00 12.44 C ATOM 0 HA PRO A 63 16.819 -11.300 -10.907 1.00 40.23 H new ATOM 0 HB2 PRO A 63 19.396 -10.319 -12.200 1.00 60.43 H new ATOM 0 HB3 PRO A 63 17.754 -9.823 -12.562 1.00 60.43 H new ATOM 0 HG2 PRO A 63 19.450 -8.303 -11.086 1.00 42.32 H new ATOM 0 HG3 PRO A 63 17.710 -8.254 -10.882 1.00 42.32 H new ATOM 0 HD2 PRO A 63 19.746 -9.295 -9.042 1.00 12.44 H new ATOM 0 HD3 PRO A 63 18.066 -8.917 -8.720 1.00 12.44 H new ATOM 961 N GLY A 64 17.590 -13.557 -11.345 1.00 52.51 N ATOM 962 CA GLY A 64 17.999 -14.876 -11.788 1.00 64.24 C ATOM 963 C GLY A 64 17.160 -15.980 -11.177 1.00 14.14 C ATOM 964 O GLY A 64 16.448 -15.756 -10.198 1.00 60.40 O ATOM 0 H GLY A 64 16.622 -13.492 -11.029 1.00 52.51 H new ATOM 0 HA2 GLY A 64 17.928 -14.929 -12.874 1.00 64.24 H new ATOM 0 HA3 GLY A 64 19.046 -15.034 -11.529 1.00 64.24 H new ATOM 968 N GLU A 65 17.241 -17.174 -11.756 1.00 2.23 N ATOM 969 CA GLU A 65 16.480 -18.315 -11.262 1.00 30.21 C ATOM 970 C GLU A 65 17.391 -19.517 -11.030 1.00 72.52 C ATOM 971 O GLU A 65 18.389 -19.698 -11.728 1.00 52.44 O ATOM 972 CB GLU A 65 15.372 -18.684 -12.251 1.00 1.03 C ATOM 973 CG GLU A 65 14.537 -19.876 -11.813 1.00 5.20 C ATOM 974 CD GLU A 65 14.864 -21.134 -12.593 1.00 74.52 C ATOM 975 OE1 GLU A 65 16.018 -21.603 -12.507 1.00 43.41 O ATOM 976 OE2 GLU A 65 13.965 -21.651 -13.290 1.00 21.03 O ATOM 0 H GLU A 65 17.826 -17.376 -12.567 1.00 2.23 H new ATOM 0 HA GLU A 65 16.029 -18.034 -10.310 1.00 30.21 H new ATOM 0 HB2 GLU A 65 14.717 -17.823 -12.388 1.00 1.03 H new ATOM 0 HB3 GLU A 65 15.820 -18.901 -13.221 1.00 1.03 H new ATOM 0 HG2 GLU A 65 14.700 -20.059 -10.751 1.00 5.20 H new ATOM 0 HG3 GLU A 65 13.480 -19.640 -11.937 1.00 5.20 H new ATOM 983 N TYR A 66 17.040 -20.337 -10.045 1.00 41.50 N ATOM 984 CA TYR A 66 17.827 -21.520 -9.718 1.00 54.04 C ATOM 985 C TYR A 66 16.955 -22.591 -9.069 1.00 64.13 C ATOM 986 O TYR A 66 16.098 -22.291 -8.238 1.00 43.45 O ATOM 987 CB TYR A 66 18.980 -21.150 -8.784 1.00 51.23 C ATOM 988 CG TYR A 66 18.611 -21.198 -7.319 1.00 3.43 C ATOM 989 CD1 TYR A 66 18.718 -22.378 -6.594 1.00 22.24 C ATOM 990 CD2 TYR A 66 18.155 -20.063 -6.659 1.00 43.02 C ATOM 991 CE1 TYR A 66 18.382 -22.427 -5.255 1.00 11.04 C ATOM 992 CE2 TYR A 66 17.818 -20.102 -5.320 1.00 63.21 C ATOM 993 CZ TYR A 66 17.933 -21.286 -4.622 1.00 60.32 C ATOM 994 OH TYR A 66 17.597 -21.330 -3.289 1.00 11.24 O ATOM 0 H TYR A 66 16.216 -20.204 -9.459 1.00 41.50 H new ATOM 0 HA TYR A 66 18.235 -21.922 -10.645 1.00 54.04 H new ATOM 0 HB2 TYR A 66 19.814 -21.829 -8.963 1.00 51.23 H new ATOM 0 HB3 TYR A 66 19.328 -20.147 -9.030 1.00 51.23 H new ATOM 0 HD1 TYR A 66 19.070 -23.273 -7.086 1.00 22.24 H new ATOM 0 HD2 TYR A 66 18.063 -19.134 -7.203 1.00 43.02 H new ATOM 0 HE1 TYR A 66 18.470 -23.353 -4.707 1.00 11.04 H new ATOM 0 HE2 TYR A 66 17.466 -19.210 -4.822 1.00 63.21 H new ATOM 0 HH TYR A 66 17.733 -22.238 -2.947 1.00 11.24 H new ATOM 1004 N SER A 67 17.182 -23.843 -9.455 1.00 3.23 N ATOM 1005 CA SER A 67 16.417 -24.960 -8.914 1.00 11.23 C ATOM 1006 C SER A 67 17.340 -25.991 -8.271 1.00 43.43 C ATOM 1007 O SER A 67 17.537 -27.082 -8.805 1.00 62.03 O ATOM 1008 CB SER A 67 15.587 -25.619 -10.017 1.00 63.12 C ATOM 1009 OG SER A 67 15.045 -24.649 -10.896 1.00 41.12 O ATOM 0 H SER A 67 17.889 -24.109 -10.140 1.00 3.23 H new ATOM 0 HA SER A 67 15.746 -24.571 -8.148 1.00 11.23 H new ATOM 0 HB2 SER A 67 16.210 -26.315 -10.578 1.00 63.12 H new ATOM 0 HB3 SER A 67 14.781 -26.201 -9.571 1.00 63.12 H new ATOM 0 HG SER A 67 14.657 -25.096 -11.677 1.00 41.12 H new ATOM 1015 N SER A 68 17.904 -25.635 -7.121 1.00 62.33 N ATOM 1016 CA SER A 68 18.810 -26.527 -6.407 1.00 3.23 C ATOM 1017 C SER A 68 18.042 -27.418 -5.435 1.00 52.42 C ATOM 1018 O SER A 68 16.844 -27.233 -5.221 1.00 34.41 O ATOM 1019 CB SER A 68 19.864 -25.717 -5.649 1.00 42.01 C ATOM 1020 OG SER A 68 20.594 -24.880 -6.529 1.00 64.34 O ATOM 0 H SER A 68 17.750 -24.736 -6.664 1.00 62.33 H new ATOM 0 HA SER A 68 19.307 -27.162 -7.140 1.00 3.23 H new ATOM 0 HB2 SER A 68 19.380 -25.111 -4.883 1.00 42.01 H new ATOM 0 HB3 SER A 68 20.547 -26.394 -5.135 1.00 42.01 H new ATOM 0 HG SER A 68 21.260 -24.372 -6.020 1.00 64.34 H new ATOM 1026 N VAL A 69 18.741 -28.385 -4.850 1.00 11.23 N ATOM 1027 CA VAL A 69 18.126 -29.305 -3.900 1.00 3.41 C ATOM 1028 C VAL A 69 19.183 -30.017 -3.062 1.00 54.34 C ATOM 1029 O VAL A 69 18.942 -31.102 -2.535 1.00 61.12 O ATOM 1030 CB VAL A 69 17.261 -30.357 -4.618 1.00 32.23 C ATOM 1031 CG1 VAL A 69 18.135 -31.441 -5.230 1.00 5.41 C ATOM 1032 CG2 VAL A 69 16.247 -30.959 -3.656 1.00 4.22 C ATOM 0 H VAL A 69 19.733 -28.552 -5.017 1.00 11.23 H new ATOM 0 HA VAL A 69 17.490 -28.708 -3.246 1.00 3.41 H new ATOM 0 HB VAL A 69 16.717 -29.865 -5.424 1.00 32.23 H new ATOM 0 HG11 VAL A 69 17.506 -32.175 -5.733 1.00 5.41 H new ATOM 0 HG12 VAL A 69 18.818 -30.993 -5.952 1.00 5.41 H new ATOM 0 HG13 VAL A 69 18.709 -31.933 -4.444 1.00 5.41 H new ATOM 0 HG21 VAL A 69 15.644 -31.701 -4.180 1.00 4.22 H new ATOM 0 HG22 VAL A 69 16.770 -31.437 -2.828 1.00 4.22 H new ATOM 0 HG23 VAL A 69 15.599 -30.172 -3.270 1.00 4.22 H new ATOM 1042 N GLU A 70 20.353 -29.397 -2.944 1.00 71.23 N ATOM 1043 CA GLU A 70 21.447 -29.973 -2.170 1.00 54.15 C ATOM 1044 C GLU A 70 22.625 -29.007 -2.092 1.00 43.14 C ATOM 1045 O GLU A 70 23.784 -29.422 -2.109 1.00 30.04 O ATOM 1046 CB GLU A 70 21.898 -31.297 -2.791 1.00 2.31 C ATOM 1047 CG GLU A 70 22.145 -31.214 -4.288 1.00 21.41 C ATOM 1048 CD GLU A 70 23.463 -31.843 -4.697 1.00 41.42 C ATOM 1049 OE1 GLU A 70 24.500 -31.151 -4.615 1.00 21.34 O ATOM 1050 OE2 GLU A 70 23.458 -33.024 -5.100 1.00 30.50 O ATOM 0 H GLU A 70 20.568 -28.497 -3.374 1.00 71.23 H new ATOM 0 HA GLU A 70 21.085 -30.159 -1.159 1.00 54.15 H new ATOM 0 HB2 GLU A 70 22.812 -31.627 -2.298 1.00 2.31 H new ATOM 0 HB3 GLU A 70 21.140 -32.056 -2.598 1.00 2.31 H new ATOM 0 HG2 GLU A 70 21.330 -31.711 -4.815 1.00 21.41 H new ATOM 0 HG3 GLU A 70 22.134 -30.169 -4.597 1.00 21.41 H new ATOM 1057 N SER A 71 22.320 -27.716 -2.008 1.00 42.12 N ATOM 1058 CA SER A 71 23.353 -26.690 -1.932 1.00 43.41 C ATOM 1059 C SER A 71 22.803 -25.410 -1.311 1.00 13.50 C ATOM 1060 O SER A 71 23.475 -24.754 -0.516 1.00 13.44 O ATOM 1061 CB SER A 71 23.912 -26.395 -3.325 1.00 44.52 C ATOM 1062 OG SER A 71 24.500 -25.106 -3.377 1.00 31.05 O ATOM 0 H SER A 71 21.366 -27.356 -1.991 1.00 42.12 H new ATOM 0 HA SER A 71 24.156 -27.065 -1.298 1.00 43.41 H new ATOM 0 HB2 SER A 71 24.655 -27.148 -3.589 1.00 44.52 H new ATOM 0 HB3 SER A 71 23.113 -26.463 -4.063 1.00 44.52 H new ATOM 0 HG SER A 71 24.851 -24.943 -4.277 1.00 31.05 H new ATOM 1068 N ALA A 72 21.575 -25.061 -1.681 1.00 12.42 N ATOM 1069 CA ALA A 72 20.932 -23.861 -1.159 1.00 51.24 C ATOM 1070 C ALA A 72 21.014 -23.811 0.363 1.00 72.35 C ATOM 1071 O ALA A 72 21.608 -22.897 0.933 1.00 71.25 O ATOM 1072 CB ALA A 72 19.481 -23.799 -1.614 1.00 62.31 C ATOM 0 H ALA A 72 21.006 -25.592 -2.340 1.00 12.42 H new ATOM 0 HA ALA A 72 21.462 -22.994 -1.553 1.00 51.24 H new ATOM 0 HB1 ALA A 72 19.013 -22.898 -1.217 1.00 62.31 H new ATOM 0 HB2 ALA A 72 19.442 -23.778 -2.703 1.00 62.31 H new ATOM 0 HB3 ALA A 72 18.947 -24.676 -1.248 1.00 62.31 H new ATOM 1078 N GLY A 73 20.412 -24.801 1.016 1.00 41.13 N ATOM 1079 CA GLY A 73 20.428 -24.850 2.466 1.00 63.31 C ATOM 1080 C GLY A 73 19.647 -26.028 3.015 1.00 41.33 C ATOM 1081 O GLY A 73 18.432 -25.945 3.194 1.00 74.12 O ATOM 0 H GLY A 73 19.914 -25.569 0.567 1.00 41.13 H new ATOM 0 HA2 GLY A 73 21.460 -24.908 2.813 1.00 63.31 H new ATOM 0 HA3 GLY A 73 20.010 -23.925 2.862 1.00 63.31 H new ATOM 1085 N ILE A 74 20.345 -27.126 3.281 1.00 61.53 N ATOM 1086 CA ILE A 74 19.709 -28.326 3.812 1.00 54.55 C ATOM 1087 C ILE A 74 20.650 -29.081 4.743 1.00 61.41 C ATOM 1088 O ILE A 74 21.052 -30.214 4.474 1.00 3.43 O ATOM 1089 CB ILE A 74 19.255 -29.269 2.682 1.00 60.10 C ATOM 1090 CG1 ILE A 74 20.360 -29.414 1.634 1.00 44.31 C ATOM 1091 CG2 ILE A 74 17.975 -28.752 2.042 1.00 21.51 C ATOM 1092 CD1 ILE A 74 20.291 -28.376 0.536 1.00 44.41 C ATOM 0 H ILE A 74 21.351 -27.210 3.138 1.00 61.53 H new ATOM 0 HA ILE A 74 18.834 -27.998 4.373 1.00 54.55 H new ATOM 0 HB ILE A 74 19.053 -30.252 3.108 1.00 60.10 H new ATOM 0 HG12 ILE A 74 21.329 -29.345 2.128 1.00 44.31 H new ATOM 0 HG13 ILE A 74 20.299 -30.407 1.189 1.00 44.31 H new ATOM 0 HG21 ILE A 74 17.667 -29.429 1.245 1.00 21.51 H new ATOM 0 HG22 ILE A 74 17.189 -28.696 2.795 1.00 21.51 H new ATOM 0 HG23 ILE A 74 18.151 -27.760 1.627 1.00 21.51 H new ATOM 0 HD11 ILE A 74 21.104 -28.540 -0.171 1.00 44.41 H new ATOM 0 HD12 ILE A 74 19.336 -28.459 0.016 1.00 44.41 H new ATOM 0 HD13 ILE A 74 20.383 -27.380 0.970 1.00 44.41 H new ATOM 1104 N PRO A 75 21.010 -28.443 5.866 1.00 11.32 N ATOM 1105 CA PRO A 75 21.907 -29.037 6.862 1.00 34.01 C ATOM 1106 C PRO A 75 21.181 -30.003 7.792 1.00 31.21 C ATOM 1107 O PRO A 75 21.649 -31.116 8.035 1.00 40.32 O ATOM 1108 CB PRO A 75 22.420 -27.826 7.644 1.00 2.25 C ATOM 1109 CG PRO A 75 21.339 -26.809 7.521 1.00 15.23 C ATOM 1110 CD PRO A 75 20.569 -27.092 6.251 1.00 53.52 C ATOM 0 HA PRO A 75 22.697 -29.628 6.399 1.00 34.01 H new ATOM 0 HB2 PRO A 75 22.608 -28.079 8.687 1.00 2.25 H new ATOM 0 HB3 PRO A 75 23.359 -27.457 7.231 1.00 2.25 H new ATOM 0 HG2 PRO A 75 20.676 -26.852 8.385 1.00 15.23 H new ATOM 0 HG3 PRO A 75 21.762 -25.805 7.493 1.00 15.23 H new ATOM 0 HD2 PRO A 75 19.493 -27.055 6.419 1.00 53.52 H new ATOM 0 HD3 PRO A 75 20.795 -26.361 5.475 1.00 53.52 H new ATOM 1118 N ASP A 76 20.036 -29.572 8.309 1.00 10.33 N ATOM 1119 CA ASP A 76 19.244 -30.400 9.212 1.00 45.31 C ATOM 1120 C ASP A 76 17.914 -29.728 9.539 1.00 23.43 C ATOM 1121 O ASP A 76 17.532 -28.745 8.906 1.00 32.44 O ATOM 1122 CB ASP A 76 20.022 -30.674 10.500 1.00 30.31 C ATOM 1123 CG ASP A 76 19.830 -32.092 11.001 1.00 31.31 C ATOM 1124 OD1 ASP A 76 20.459 -33.011 10.436 1.00 11.00 O ATOM 1125 OD2 ASP A 76 19.050 -32.283 11.958 1.00 71.42 O ATOM 0 H ASP A 76 19.635 -28.654 8.118 1.00 10.33 H new ATOM 0 HA ASP A 76 19.039 -31.347 8.712 1.00 45.31 H new ATOM 0 HB2 ASP A 76 21.083 -30.494 10.326 1.00 30.31 H new ATOM 0 HB3 ASP A 76 19.702 -29.973 11.271 1.00 30.31 H new ATOM 1130 N ASN A 77 17.214 -30.268 10.532 1.00 54.43 N ATOM 1131 CA ASN A 77 15.925 -29.722 10.942 1.00 10.41 C ATOM 1132 C ASN A 77 16.110 -28.571 11.927 1.00 64.04 C ATOM 1133 O ASN A 77 15.530 -28.570 13.012 1.00 13.40 O ATOM 1134 CB ASN A 77 15.063 -30.815 11.575 1.00 35.41 C ATOM 1135 CG ASN A 77 15.259 -32.164 10.910 1.00 54.14 C ATOM 1136 OD1 ASN A 77 15.483 -32.246 9.702 1.00 41.21 O ATOM 1137 ND2 ASN A 77 15.174 -33.230 11.697 1.00 41.10 N ATOM 0 H ASN A 77 17.517 -31.082 11.067 1.00 54.43 H new ATOM 0 HA ASN A 77 15.422 -29.340 10.054 1.00 10.41 H new ATOM 0 HB2 ASN A 77 15.305 -30.897 12.635 1.00 35.41 H new ATOM 0 HB3 ASN A 77 14.013 -30.530 11.509 1.00 35.41 H new ATOM 0 HD21 ASN A 77 15.296 -34.164 11.306 1.00 41.10 H new ATOM 0 HD22 ASN A 77 14.987 -33.115 12.693 1.00 41.10 H new ATOM 1144 N SER A 78 16.923 -27.593 11.539 1.00 20.13 N ATOM 1145 CA SER A 78 17.188 -26.438 12.389 1.00 52.33 C ATOM 1146 C SER A 78 16.331 -25.247 11.969 1.00 62.12 C ATOM 1147 O SER A 78 15.416 -25.383 11.157 1.00 72.05 O ATOM 1148 CB SER A 78 18.669 -26.062 12.327 1.00 4.40 C ATOM 1149 OG SER A 78 19.492 -27.178 12.620 1.00 14.14 O ATOM 0 H SER A 78 17.409 -27.578 10.642 1.00 20.13 H new ATOM 0 HA SER A 78 16.931 -26.705 13.414 1.00 52.33 H new ATOM 0 HB2 SER A 78 18.909 -25.680 11.335 1.00 4.40 H new ATOM 0 HB3 SER A 78 18.874 -25.259 13.036 1.00 4.40 H new ATOM 0 HG SER A 78 20.434 -26.911 12.572 1.00 14.14 H new ATOM 1155 N ILE A 79 16.636 -24.081 12.528 1.00 15.12 N ATOM 1156 CA ILE A 79 15.895 -22.866 12.212 1.00 60.03 C ATOM 1157 C ILE A 79 16.398 -22.237 10.917 1.00 63.11 C ATOM 1158 O ILE A 79 17.604 -22.161 10.679 1.00 33.02 O ATOM 1159 CB ILE A 79 16.000 -21.831 13.347 1.00 43.41 C ATOM 1160 CG1 ILE A 79 15.931 -22.525 14.708 1.00 20.44 C ATOM 1161 CG2 ILE A 79 14.897 -20.791 13.220 1.00 74.22 C ATOM 1162 CD1 ILE A 79 15.930 -21.565 15.877 1.00 24.43 C ATOM 0 H ILE A 79 17.391 -23.952 13.202 1.00 15.12 H new ATOM 0 HA ILE A 79 14.851 -23.155 12.091 1.00 60.03 H new ATOM 0 HB ILE A 79 16.961 -21.324 13.268 1.00 43.41 H new ATOM 0 HG12 ILE A 79 15.029 -23.136 14.750 1.00 20.44 H new ATOM 0 HG13 ILE A 79 16.780 -23.202 14.805 1.00 20.44 H new ATOM 0 HG21 ILE A 79 14.985 -20.067 14.030 1.00 74.22 H new ATOM 0 HG22 ILE A 79 14.989 -20.278 12.263 1.00 74.22 H new ATOM 0 HG23 ILE A 79 13.926 -21.282 13.277 1.00 74.22 H new ATOM 0 HD11 ILE A 79 15.879 -22.127 16.809 1.00 24.43 H new ATOM 0 HD12 ILE A 79 16.844 -20.971 15.861 1.00 24.43 H new ATOM 0 HD13 ILE A 79 15.066 -20.904 15.804 1.00 24.43 H new ATOM 1174 N SER A 80 15.467 -21.786 10.083 1.00 15.23 N ATOM 1175 CA SER A 80 15.815 -21.165 8.811 1.00 42.40 C ATOM 1176 C SER A 80 14.699 -20.240 8.334 1.00 5.43 C ATOM 1177 O SER A 80 13.517 -20.530 8.516 1.00 2.11 O ATOM 1178 CB SER A 80 16.091 -22.236 7.755 1.00 72.34 C ATOM 1179 OG SER A 80 16.510 -23.449 8.356 1.00 74.22 O ATOM 0 H SER A 80 14.465 -21.839 10.266 1.00 15.23 H new ATOM 0 HA SER A 80 16.717 -20.571 8.960 1.00 42.40 H new ATOM 0 HB2 SER A 80 15.191 -22.411 7.166 1.00 72.34 H new ATOM 0 HB3 SER A 80 16.859 -21.883 7.067 1.00 72.34 H new ATOM 0 HG SER A 80 16.679 -24.118 7.660 1.00 74.22 H new ATOM 1185 N SER A 81 15.085 -19.124 7.723 1.00 11.11 N ATOM 1186 CA SER A 81 14.118 -18.153 7.223 1.00 25.20 C ATOM 1187 C SER A 81 14.765 -17.217 6.207 1.00 42.30 C ATOM 1188 O SER A 81 15.987 -17.188 6.062 1.00 65.33 O ATOM 1189 CB SER A 81 13.533 -17.342 8.381 1.00 72.24 C ATOM 1190 OG SER A 81 12.129 -17.201 8.246 1.00 62.42 O ATOM 0 H SER A 81 16.060 -18.870 7.562 1.00 11.11 H new ATOM 0 HA SER A 81 13.314 -18.698 6.728 1.00 25.20 H new ATOM 0 HB2 SER A 81 13.763 -17.833 9.326 1.00 72.24 H new ATOM 0 HB3 SER A 81 13.999 -16.357 8.412 1.00 72.24 H new ATOM 0 HG SER A 81 11.717 -18.087 8.167 1.00 62.42 H new ATOM 1196 N PHE A 82 13.936 -16.451 5.506 1.00 73.13 N ATOM 1197 CA PHE A 82 14.425 -15.513 4.502 1.00 60.41 C ATOM 1198 C PHE A 82 13.485 -14.319 4.370 1.00 42.51 C ATOM 1199 O PHE A 82 12.265 -14.477 4.326 1.00 41.23 O ATOM 1200 CB PHE A 82 14.572 -16.213 3.149 1.00 43.41 C ATOM 1201 CG PHE A 82 13.272 -16.383 2.417 1.00 14.33 C ATOM 1202 CD1 PHE A 82 12.290 -17.228 2.909 1.00 25.51 C ATOM 1203 CD2 PHE A 82 13.030 -15.697 1.238 1.00 11.51 C ATOM 1204 CE1 PHE A 82 11.093 -17.387 2.237 1.00 21.33 C ATOM 1205 CE2 PHE A 82 11.834 -15.851 0.562 1.00 22.11 C ATOM 1206 CZ PHE A 82 10.864 -16.697 1.063 1.00 2.12 C ATOM 0 H PHE A 82 12.922 -16.461 5.615 1.00 73.13 H new ATOM 0 HA PHE A 82 15.401 -15.150 4.824 1.00 60.41 H new ATOM 0 HB2 PHE A 82 15.258 -15.640 2.525 1.00 43.41 H new ATOM 0 HB3 PHE A 82 15.024 -17.193 3.303 1.00 43.41 H new ATOM 0 HD1 PHE A 82 12.462 -17.768 3.828 1.00 25.51 H new ATOM 0 HD2 PHE A 82 13.785 -15.034 0.842 1.00 11.51 H new ATOM 0 HE1 PHE A 82 10.337 -18.051 2.630 1.00 21.33 H new ATOM 0 HE2 PHE A 82 11.658 -15.311 -0.356 1.00 22.11 H new ATOM 0 HZ PHE A 82 9.928 -16.819 0.538 1.00 2.12 H new ATOM 1216 N ARG A 83 14.063 -13.123 4.308 1.00 32.10 N ATOM 1217 CA ARG A 83 13.278 -11.901 4.183 1.00 12.01 C ATOM 1218 C ARG A 83 12.965 -11.603 2.720 1.00 44.34 C ATOM 1219 O ARG A 83 13.856 -11.618 1.870 1.00 13.21 O ATOM 1220 CB ARG A 83 14.028 -10.722 4.806 1.00 34.01 C ATOM 1221 CG ARG A 83 13.208 -9.951 5.828 1.00 43.30 C ATOM 1222 CD ARG A 83 11.898 -9.459 5.234 1.00 14.24 C ATOM 1223 NE ARG A 83 11.216 -8.516 6.118 1.00 62.33 N ATOM 1224 CZ ARG A 83 9.930 -8.204 6.007 1.00 10.40 C ATOM 1225 NH1 ARG A 83 9.189 -8.756 5.056 1.00 65.10 N ATOM 1226 NH2 ARG A 83 9.382 -7.337 6.849 1.00 33.01 N ATOM 0 H ARG A 83 15.072 -12.975 4.342 1.00 32.10 H new ATOM 0 HA ARG A 83 12.338 -12.047 4.715 1.00 12.01 H new ATOM 0 HB2 ARG A 83 14.935 -11.091 5.284 1.00 34.01 H new ATOM 0 HB3 ARG A 83 14.340 -10.041 4.014 1.00 34.01 H new ATOM 0 HG2 ARG A 83 13.002 -10.589 6.687 1.00 43.30 H new ATOM 0 HG3 ARG A 83 13.785 -9.101 6.193 1.00 43.30 H new ATOM 0 HD2 ARG A 83 12.092 -8.980 4.274 1.00 14.24 H new ATOM 0 HD3 ARG A 83 11.246 -10.310 5.040 1.00 14.24 H new ATOM 0 HE ARG A 83 11.757 -8.073 6.861 1.00 62.33 H new ATOM 0 HH11 ARG A 83 9.606 -9.423 4.407 1.00 65.10 H new ATOM 0 HH12 ARG A 83 8.202 -8.514 4.974 1.00 65.10 H new ATOM 0 HH21 ARG A 83 9.949 -6.910 7.582 1.00 33.01 H new ATOM 0 HH22 ARG A 83 8.394 -7.098 6.763 1.00 33.01 H new ATOM 1240 N GLN A 84 11.696 -11.333 2.434 1.00 52.30 N ATOM 1241 CA GLN A 84 11.267 -11.032 1.073 1.00 34.42 C ATOM 1242 C GLN A 84 11.580 -9.584 0.711 1.00 74.43 C ATOM 1243 O GLN A 84 10.944 -8.657 1.214 1.00 24.40 O ATOM 1244 CB GLN A 84 9.768 -11.297 0.919 1.00 51.35 C ATOM 1245 CG GLN A 84 9.451 -12.549 0.118 1.00 75.23 C ATOM 1246 CD GLN A 84 8.052 -13.071 0.381 1.00 72.24 C ATOM 1247 OE1 GLN A 84 7.306 -12.506 1.181 1.00 21.21 O ATOM 1248 NE2 GLN A 84 7.688 -14.156 -0.294 1.00 53.50 N ATOM 0 H GLN A 84 10.947 -11.316 3.126 1.00 52.30 H new ATOM 0 HA GLN A 84 11.816 -11.683 0.393 1.00 34.42 H new ATOM 0 HB2 GLN A 84 9.320 -11.386 1.909 1.00 51.35 H new ATOM 0 HB3 GLN A 84 9.304 -10.438 0.434 1.00 51.35 H new ATOM 0 HG2 GLN A 84 9.560 -12.333 -0.945 1.00 75.23 H new ATOM 0 HG3 GLN A 84 10.176 -13.325 0.362 1.00 75.23 H new ATOM 0 HE21 GLN A 84 8.338 -14.592 -0.947 1.00 53.50 H new ATOM 0 HE22 GLN A 84 6.758 -14.553 -0.159 1.00 53.50 H new ATOM 1257 N ILE A 85 12.562 -9.398 -0.164 1.00 51.14 N ATOM 1258 CA ILE A 85 12.958 -8.063 -0.594 1.00 41.32 C ATOM 1259 C ILE A 85 13.622 -7.294 0.543 1.00 44.32 C ATOM 1260 O ILE A 85 14.656 -6.652 0.352 1.00 15.11 O ATOM 1261 CB ILE A 85 11.751 -7.256 -1.108 1.00 44.45 C ATOM 1262 CG1 ILE A 85 10.884 -8.121 -2.025 1.00 22.43 C ATOM 1263 CG2 ILE A 85 12.222 -6.007 -1.840 1.00 30.32 C ATOM 1264 CD1 ILE A 85 9.673 -7.398 -2.571 1.00 31.23 C ATOM 0 H ILE A 85 13.098 -10.155 -0.589 1.00 51.14 H new ATOM 0 HA ILE A 85 13.672 -8.192 -1.408 1.00 41.32 H new ATOM 0 HB ILE A 85 11.148 -6.948 -0.253 1.00 44.45 H new ATOM 0 HG12 ILE A 85 11.492 -8.475 -2.858 1.00 22.43 H new ATOM 0 HG13 ILE A 85 10.553 -9.002 -1.474 1.00 22.43 H new ATOM 0 HG21 ILE A 85 11.358 -5.447 -2.197 1.00 30.32 H new ATOM 0 HG22 ILE A 85 12.802 -5.384 -1.160 1.00 30.32 H new ATOM 0 HG23 ILE A 85 12.844 -6.295 -2.688 1.00 30.32 H new ATOM 0 HD11 ILE A 85 9.105 -8.072 -3.212 1.00 31.23 H new ATOM 0 HD12 ILE A 85 9.044 -7.067 -1.745 1.00 31.23 H new ATOM 0 HD13 ILE A 85 9.996 -6.533 -3.150 1.00 31.23 H new TER 1276 ILE A 85