USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=21 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 35 LYS NZ :NH3+ -152:sc= -1.13 (180deg=-2.49!) USER MOD Set 1.2: A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0 (180deg=-0.102) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.09) USER MOD Single : A 13 ASN : amide:sc= -0.0156 K(o=-0.016,f=-0.96) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -127:sc= 1.06 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.92 K(o=-2.9,f=-8.5!) USER MOD Single : A 31 ASN : amide:sc= -0.0613 X(o=-0.061,f=-0.34) USER MOD Single : A 33 ASN : amide:sc= -1.1 K(o=-1.1,f=-3.7!) USER MOD Single : A 38 SER OG : rot 130:sc= 0 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 180:sc= -1.03 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.0107 K(o=0.011,f=-0.81) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -73:sc= 1.26 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.122 USER MOD Single : A 67 SER OG : rot 53:sc= 1.08 USER MOD Single : A 68 SER OG : rot 107:sc= 1.85 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.024) USER MOD Single : A 78 SER OG : rot 145:sc= 0.322 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0.295 K(o=0.3,f=-8.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.117 -2.088 -0.254 1.00 21.45 N ATOM 2 CA MET A 1 0.232 -2.552 -1.632 1.00 4.45 C ATOM 3 C MET A 1 1.606 -2.218 -2.204 1.00 42.31 C ATOM 4 O MET A 1 1.798 -1.163 -2.808 1.00 35.12 O ATOM 5 CB MET A 1 -0.861 -1.922 -2.497 1.00 44.40 C ATOM 6 CG MET A 1 -2.266 -2.161 -1.970 1.00 73.14 C ATOM 7 SD MET A 1 -3.537 -1.822 -3.204 1.00 12.03 S ATOM 8 CE MET A 1 -3.547 -3.365 -4.113 1.00 31.33 C ATOM 0 H1 MET A 1 -0.716 -2.524 0.191 1.00 21.45 H new ATOM 0 H2 MET A 1 0.972 -2.355 0.275 1.00 21.45 H new ATOM 0 H3 MET A 1 0.013 -1.053 -0.244 1.00 21.45 H new ATOM 0 HA MET A 1 0.109 -3.635 -1.637 1.00 4.45 H new ATOM 0 HB2 MET A 1 -0.685 -0.848 -2.565 1.00 44.40 H new ATOM 0 HB3 MET A 1 -0.788 -2.322 -3.508 1.00 44.40 H new ATOM 0 HG2 MET A 1 -2.354 -3.195 -1.638 1.00 73.14 H new ATOM 0 HG3 MET A 1 -2.435 -1.530 -1.097 1.00 73.14 H new ATOM 0 HE1 MET A 1 -4.285 -3.311 -4.913 1.00 31.33 H new ATOM 0 HE2 MET A 1 -2.560 -3.542 -4.541 1.00 31.33 H new ATOM 0 HE3 MET A 1 -3.802 -4.183 -3.439 1.00 31.33 H new ATOM 18 N ASN A 2 2.559 -3.123 -2.010 1.00 24.41 N ATOM 19 CA ASN A 2 3.916 -2.924 -2.507 1.00 0.34 C ATOM 20 C ASN A 2 4.070 -3.496 -3.912 1.00 43.15 C ATOM 21 O ASN A 2 3.509 -4.544 -4.232 1.00 44.52 O ATOM 22 CB ASN A 2 4.928 -3.578 -1.564 1.00 1.23 C ATOM 23 CG ASN A 2 5.188 -2.743 -0.325 1.00 14.22 C ATOM 24 OD1 ASN A 2 6.176 -2.012 -0.251 1.00 14.00 O ATOM 25 ND2 ASN A 2 4.299 -2.848 0.656 1.00 31.14 N ATOM 0 H ASN A 2 2.417 -4.002 -1.512 1.00 24.41 H new ATOM 0 HA ASN A 2 4.108 -1.852 -2.548 1.00 0.34 H new ATOM 0 HB2 ASN A 2 4.561 -4.560 -1.266 1.00 1.23 H new ATOM 0 HB3 ASN A 2 5.866 -3.736 -2.096 1.00 1.23 H new ATOM 0 HD21 ASN A 2 4.420 -2.310 1.514 1.00 31.14 H new ATOM 0 HD22 ASN A 2 3.495 -3.466 0.551 1.00 31.14 H new ATOM 32 N ALA A 3 4.835 -2.801 -4.748 1.00 2.43 N ATOM 33 CA ALA A 3 5.066 -3.240 -6.118 1.00 72.41 C ATOM 34 C ALA A 3 6.247 -4.202 -6.195 1.00 34.23 C ATOM 35 O ALA A 3 7.402 -3.780 -6.220 1.00 23.23 O ATOM 36 CB ALA A 3 5.300 -2.041 -7.025 1.00 34.20 C ATOM 0 H ALA A 3 5.305 -1.931 -4.499 1.00 2.43 H new ATOM 0 HA ALA A 3 4.176 -3.770 -6.458 1.00 72.41 H new ATOM 0 HB1 ALA A 3 5.471 -2.384 -8.045 1.00 34.20 H new ATOM 0 HB2 ALA A 3 4.425 -1.392 -7.003 1.00 34.20 H new ATOM 0 HB3 ALA A 3 6.172 -1.487 -6.678 1.00 34.20 H new ATOM 42 N ALA A 4 5.948 -5.497 -6.231 1.00 40.30 N ATOM 43 CA ALA A 4 6.985 -6.518 -6.306 1.00 62.10 C ATOM 44 C ALA A 4 6.386 -7.888 -6.603 1.00 72.40 C ATOM 45 O ALA A 4 5.732 -8.488 -5.750 1.00 2.51 O ATOM 46 CB ALA A 4 7.782 -6.558 -5.010 1.00 54.21 C ATOM 0 H ALA A 4 4.996 -5.863 -6.209 1.00 40.30 H new ATOM 0 HA ALA A 4 7.656 -6.259 -7.125 1.00 62.10 H new ATOM 0 HB1 ALA A 4 8.553 -7.325 -5.081 1.00 54.21 H new ATOM 0 HB2 ALA A 4 8.250 -5.588 -4.840 1.00 54.21 H new ATOM 0 HB3 ALA A 4 7.115 -6.789 -4.180 1.00 54.21 H new ATOM 52 N GLU A 5 6.613 -8.378 -7.818 1.00 53.20 N ATOM 53 CA GLU A 5 6.093 -9.677 -8.227 1.00 33.53 C ATOM 54 C GLU A 5 7.078 -10.791 -7.882 1.00 0.52 C ATOM 55 O GLU A 5 8.033 -11.040 -8.618 1.00 12.10 O ATOM 56 CB GLU A 5 5.802 -9.686 -9.729 1.00 1.11 C ATOM 57 CG GLU A 5 4.437 -9.125 -10.088 1.00 14.52 C ATOM 58 CD GLU A 5 3.838 -9.786 -11.314 1.00 50.32 C ATOM 59 OE1 GLU A 5 3.159 -10.822 -11.158 1.00 52.24 O ATOM 60 OE2 GLU A 5 4.049 -9.266 -12.430 1.00 51.01 O ATOM 0 H GLU A 5 7.153 -7.895 -8.536 1.00 53.20 H new ATOM 0 HA GLU A 5 5.165 -9.855 -7.684 1.00 33.53 H new ATOM 0 HB2 GLU A 5 6.570 -9.107 -10.243 1.00 1.11 H new ATOM 0 HB3 GLU A 5 5.873 -10.709 -10.098 1.00 1.11 H new ATOM 0 HG2 GLU A 5 3.761 -9.256 -9.243 1.00 14.52 H new ATOM 0 HG3 GLU A 5 4.524 -8.053 -10.264 1.00 14.52 H new ATOM 67 N VAL A 6 6.839 -11.456 -6.756 1.00 64.54 N ATOM 68 CA VAL A 6 7.704 -12.543 -6.313 1.00 63.21 C ATOM 69 C VAL A 6 7.090 -13.901 -6.636 1.00 4.22 C ATOM 70 O VAL A 6 6.046 -14.265 -6.095 1.00 21.45 O ATOM 71 CB VAL A 6 7.977 -12.462 -4.799 1.00 54.02 C ATOM 72 CG1 VAL A 6 8.724 -13.698 -4.324 1.00 24.31 C ATOM 73 CG2 VAL A 6 8.753 -11.197 -4.465 1.00 65.52 C ATOM 0 H VAL A 6 6.054 -11.261 -6.134 1.00 64.54 H new ATOM 0 HA VAL A 6 8.646 -12.437 -6.851 1.00 63.21 H new ATOM 0 HB VAL A 6 7.021 -12.423 -4.276 1.00 54.02 H new ATOM 0 HG11 VAL A 6 8.908 -13.623 -3.252 1.00 24.31 H new ATOM 0 HG12 VAL A 6 8.125 -14.586 -4.528 1.00 24.31 H new ATOM 0 HG13 VAL A 6 9.675 -13.773 -4.851 1.00 24.31 H new ATOM 0 HG21 VAL A 6 8.937 -11.156 -3.391 1.00 65.52 H new ATOM 0 HG22 VAL A 6 9.705 -11.203 -4.996 1.00 65.52 H new ATOM 0 HG23 VAL A 6 8.174 -10.324 -4.767 1.00 65.52 H new ATOM 83 N ILE A 7 7.746 -14.645 -7.520 1.00 74.12 N ATOM 84 CA ILE A 7 7.265 -15.964 -7.914 1.00 12.33 C ATOM 85 C ILE A 7 8.240 -17.055 -7.486 1.00 3.22 C ATOM 86 O ILE A 7 9.341 -17.166 -8.026 1.00 51.43 O ATOM 87 CB ILE A 7 7.048 -16.053 -9.436 1.00 10.41 C ATOM 88 CG1 ILE A 7 6.696 -17.486 -9.840 1.00 3.10 C ATOM 89 CG2 ILE A 7 8.289 -15.577 -10.176 1.00 60.13 C ATOM 90 CD1 ILE A 7 6.353 -17.633 -11.306 1.00 30.43 C ATOM 0 H ILE A 7 8.611 -14.357 -7.977 1.00 74.12 H new ATOM 0 HA ILE A 7 6.310 -16.115 -7.410 1.00 12.33 H new ATOM 0 HB ILE A 7 6.215 -15.404 -9.709 1.00 10.41 H new ATOM 0 HG12 ILE A 7 7.537 -18.138 -9.605 1.00 3.10 H new ATOM 0 HG13 ILE A 7 5.851 -17.827 -9.241 1.00 3.10 H new ATOM 0 HG21 ILE A 7 8.121 -15.646 -11.251 1.00 60.13 H new ATOM 0 HG22 ILE A 7 8.498 -14.542 -9.907 1.00 60.13 H new ATOM 0 HG23 ILE A 7 9.139 -16.202 -9.901 1.00 60.13 H new ATOM 0 HD11 ILE A 7 6.114 -18.675 -11.521 1.00 30.43 H new ATOM 0 HD12 ILE A 7 5.493 -17.007 -11.543 1.00 30.43 H new ATOM 0 HD13 ILE A 7 7.205 -17.324 -11.912 1.00 30.43 H new ATOM 102 N VAL A 8 7.828 -17.861 -6.512 1.00 44.32 N ATOM 103 CA VAL A 8 8.664 -18.946 -6.013 1.00 44.01 C ATOM 104 C VAL A 8 7.901 -20.266 -5.999 1.00 2.41 C ATOM 105 O VAL A 8 6.697 -20.296 -5.744 1.00 0.31 O ATOM 106 CB VAL A 8 9.181 -18.649 -4.593 1.00 11.03 C ATOM 107 CG1 VAL A 8 10.047 -19.794 -4.089 1.00 51.50 C ATOM 108 CG2 VAL A 8 9.951 -17.337 -4.570 1.00 35.04 C ATOM 0 H VAL A 8 6.920 -17.783 -6.053 1.00 44.32 H new ATOM 0 HA VAL A 8 9.514 -19.028 -6.691 1.00 44.01 H new ATOM 0 HB VAL A 8 8.324 -18.553 -3.926 1.00 11.03 H new ATOM 0 HG11 VAL A 8 10.403 -19.566 -3.084 1.00 51.50 H new ATOM 0 HG12 VAL A 8 9.459 -20.712 -4.066 1.00 51.50 H new ATOM 0 HG13 VAL A 8 10.900 -19.926 -4.755 1.00 51.50 H new ATOM 0 HG21 VAL A 8 10.309 -17.143 -3.559 1.00 35.04 H new ATOM 0 HG22 VAL A 8 10.801 -17.402 -5.250 1.00 35.04 H new ATOM 0 HG23 VAL A 8 9.296 -16.525 -4.885 1.00 35.04 H new ATOM 118 N TYR A 9 8.610 -21.355 -6.274 1.00 34.10 N ATOM 119 CA TYR A 9 7.999 -22.679 -6.295 1.00 14.11 C ATOM 120 C TYR A 9 8.234 -23.408 -4.976 1.00 31.33 C ATOM 121 O TYR A 9 9.336 -23.384 -4.429 1.00 12.52 O ATOM 122 CB TYR A 9 8.560 -23.504 -7.454 1.00 73.30 C ATOM 123 CG TYR A 9 7.979 -23.131 -8.800 1.00 25.35 C ATOM 124 CD1 TYR A 9 8.089 -21.836 -9.290 1.00 42.12 C ATOM 125 CD2 TYR A 9 7.321 -24.074 -9.580 1.00 12.54 C ATOM 126 CE1 TYR A 9 7.560 -21.490 -10.519 1.00 20.24 C ATOM 127 CE2 TYR A 9 6.790 -23.737 -10.810 1.00 31.22 C ATOM 128 CZ TYR A 9 6.912 -22.444 -11.275 1.00 31.42 C ATOM 129 OH TYR A 9 6.383 -22.105 -12.499 1.00 41.01 O ATOM 0 H TYR A 9 9.608 -21.347 -6.485 1.00 34.10 H new ATOM 0 HA TYR A 9 6.925 -22.554 -6.434 1.00 14.11 H new ATOM 0 HB2 TYR A 9 9.642 -23.379 -7.488 1.00 73.30 H new ATOM 0 HB3 TYR A 9 8.367 -24.560 -7.264 1.00 73.30 H new ATOM 0 HD1 TYR A 9 8.597 -21.087 -8.701 1.00 42.12 H new ATOM 0 HD2 TYR A 9 7.223 -25.087 -9.219 1.00 12.54 H new ATOM 0 HE1 TYR A 9 7.654 -20.478 -10.885 1.00 20.24 H new ATOM 0 HE2 TYR A 9 6.282 -24.482 -11.404 1.00 31.22 H new ATOM 0 HH TYR A 9 5.962 -22.892 -12.903 1.00 41.01 H new ATOM 139 N GLU A 10 7.189 -24.058 -4.472 1.00 1.44 N ATOM 140 CA GLU A 10 7.281 -24.794 -3.217 1.00 24.34 C ATOM 141 C GLU A 10 7.584 -26.268 -3.472 1.00 32.12 C ATOM 142 O GLU A 10 6.974 -27.152 -2.869 1.00 23.02 O ATOM 143 CB GLU A 10 5.980 -24.659 -2.423 1.00 71.43 C ATOM 144 CG GLU A 10 4.778 -25.280 -3.116 1.00 21.15 C ATOM 145 CD GLU A 10 4.027 -26.249 -2.223 1.00 62.22 C ATOM 146 OE1 GLU A 10 3.897 -25.963 -1.015 1.00 0.35 O ATOM 147 OE2 GLU A 10 3.570 -27.294 -2.733 1.00 2.42 O ATOM 0 H GLU A 10 6.270 -24.090 -4.913 1.00 1.44 H new ATOM 0 HA GLU A 10 8.098 -24.368 -2.635 1.00 24.34 H new ATOM 0 HB2 GLU A 10 6.109 -25.128 -1.447 1.00 71.43 H new ATOM 0 HB3 GLU A 10 5.781 -23.602 -2.245 1.00 71.43 H new ATOM 0 HG2 GLU A 10 4.101 -24.489 -3.439 1.00 21.15 H new ATOM 0 HG3 GLU A 10 5.110 -25.801 -4.014 1.00 21.15 H new ATOM 154 N HIS A 11 8.529 -26.525 -4.370 1.00 61.24 N ATOM 155 CA HIS A 11 8.913 -27.892 -4.706 1.00 42.43 C ATOM 156 C HIS A 11 9.897 -27.908 -5.873 1.00 33.44 C ATOM 157 O HIS A 11 10.391 -26.864 -6.296 1.00 41.52 O ATOM 158 CB HIS A 11 7.677 -28.720 -5.055 1.00 34.42 C ATOM 159 CG HIS A 11 7.426 -29.851 -4.105 1.00 13.44 C ATOM 160 ND1 HIS A 11 6.208 -30.065 -3.494 1.00 52.44 N ATOM 161 CD2 HIS A 11 8.244 -30.833 -3.662 1.00 65.40 C ATOM 162 CE1 HIS A 11 6.289 -31.129 -2.716 1.00 52.02 C ATOM 163 NE2 HIS A 11 7.514 -31.614 -2.800 1.00 63.53 N ATOM 0 H HIS A 11 9.043 -25.805 -4.878 1.00 61.24 H new ATOM 0 HA HIS A 11 9.401 -28.331 -3.836 1.00 42.43 H new ATOM 0 HB2 HIS A 11 6.804 -28.067 -5.068 1.00 34.42 H new ATOM 0 HB3 HIS A 11 7.791 -29.121 -6.062 1.00 34.42 H new ATOM 0 HD2 HIS A 11 9.279 -30.976 -3.935 1.00 65.40 H new ATOM 0 HE1 HIS A 11 5.489 -31.534 -2.114 1.00 52.02 H new ATOM 0 HE2 HIS A 11 7.862 -32.435 -2.305 1.00 63.53 H new ATOM 171 N VAL A 12 10.177 -29.102 -6.387 1.00 51.42 N ATOM 172 CA VAL A 12 11.101 -29.254 -7.505 1.00 31.44 C ATOM 173 C VAL A 12 10.560 -28.582 -8.761 1.00 51.41 C ATOM 174 O VAL A 12 9.363 -28.321 -8.871 1.00 73.24 O ATOM 175 CB VAL A 12 11.374 -30.740 -7.808 1.00 1.42 C ATOM 176 CG1 VAL A 12 12.586 -30.885 -8.716 1.00 32.33 C ATOM 177 CG2 VAL A 12 11.568 -31.520 -6.516 1.00 44.34 C ATOM 0 H VAL A 12 9.778 -29.977 -6.047 1.00 51.42 H new ATOM 0 HA VAL A 12 12.034 -28.772 -7.213 1.00 31.44 H new ATOM 0 HB VAL A 12 10.509 -31.153 -8.328 1.00 1.42 H new ATOM 0 HG11 VAL A 12 12.764 -31.941 -8.919 1.00 32.33 H new ATOM 0 HG12 VAL A 12 12.403 -30.361 -9.654 1.00 32.33 H new ATOM 0 HG13 VAL A 12 13.461 -30.457 -8.226 1.00 32.33 H new ATOM 0 HG21 VAL A 12 11.760 -32.567 -6.749 1.00 44.34 H new ATOM 0 HG22 VAL A 12 12.415 -31.109 -5.967 1.00 44.34 H new ATOM 0 HG23 VAL A 12 10.668 -31.443 -5.906 1.00 44.34 H new ATOM 187 N ASN A 13 11.451 -28.303 -9.707 1.00 21.00 N ATOM 188 CA ASN A 13 11.063 -27.660 -10.957 1.00 41.01 C ATOM 189 C ASN A 13 10.630 -28.696 -11.990 1.00 44.22 C ATOM 190 O ASN A 13 11.146 -28.727 -13.108 1.00 25.24 O ATOM 191 CB ASN A 13 12.223 -26.827 -11.508 1.00 33.51 C ATOM 192 CG ASN A 13 11.746 -25.633 -12.312 1.00 22.20 C ATOM 193 OD1 ASN A 13 10.606 -25.597 -12.774 1.00 73.11 O ATOM 194 ND2 ASN A 13 12.620 -24.648 -12.483 1.00 24.42 N ATOM 0 H ASN A 13 12.446 -28.512 -9.632 1.00 21.00 H new ATOM 0 HA ASN A 13 10.218 -27.003 -10.752 1.00 41.01 H new ATOM 0 HB2 ASN A 13 12.843 -26.481 -10.681 1.00 33.51 H new ATOM 0 HB3 ASN A 13 12.853 -27.457 -12.136 1.00 33.51 H new ATOM 0 HD21 ASN A 13 12.356 -23.819 -13.016 1.00 24.42 H new ATOM 0 HD22 ASN A 13 13.555 -24.720 -12.082 1.00 24.42 H new ATOM 201 N PHE A 14 9.679 -29.542 -11.609 1.00 42.01 N ATOM 202 CA PHE A 14 9.177 -30.580 -12.502 1.00 14.22 C ATOM 203 C PHE A 14 8.041 -31.360 -11.845 1.00 5.44 C ATOM 204 O PHE A 14 7.826 -32.534 -12.142 1.00 45.34 O ATOM 205 CB PHE A 14 10.306 -31.535 -12.895 1.00 14.31 C ATOM 206 CG PHE A 14 10.518 -32.649 -11.911 1.00 20.32 C ATOM 207 CD1 PHE A 14 10.583 -32.388 -10.552 1.00 22.23 C ATOM 208 CD2 PHE A 14 10.653 -33.958 -12.345 1.00 61.20 C ATOM 209 CE1 PHE A 14 10.778 -33.412 -9.643 1.00 42.43 C ATOM 210 CE2 PHE A 14 10.848 -34.986 -11.441 1.00 52.44 C ATOM 211 CZ PHE A 14 10.912 -34.712 -10.089 1.00 53.01 C ATOM 0 H PHE A 14 9.240 -29.529 -10.688 1.00 42.01 H new ATOM 0 HA PHE A 14 8.791 -30.097 -13.399 1.00 14.22 H new ATOM 0 HB2 PHE A 14 10.086 -31.962 -13.873 1.00 14.31 H new ATOM 0 HB3 PHE A 14 11.232 -30.969 -12.996 1.00 14.31 H new ATOM 0 HD1 PHE A 14 10.480 -31.373 -10.198 1.00 22.23 H new ATOM 0 HD2 PHE A 14 10.605 -34.178 -13.401 1.00 61.20 H new ATOM 0 HE1 PHE A 14 10.825 -33.195 -8.586 1.00 42.43 H new ATOM 0 HE2 PHE A 14 10.950 -36.002 -11.792 1.00 52.44 H new ATOM 0 HZ PHE A 14 11.067 -35.513 -9.382 1.00 53.01 H new ATOM 221 N GLY A 15 7.318 -30.697 -10.947 1.00 53.35 N ATOM 222 CA GLY A 15 6.214 -31.343 -10.261 1.00 41.52 C ATOM 223 C GLY A 15 5.939 -30.730 -8.902 1.00 32.50 C ATOM 224 O GLY A 15 5.886 -31.435 -7.895 1.00 74.52 O ATOM 0 H GLY A 15 7.477 -29.725 -10.683 1.00 53.35 H new ATOM 0 HA2 GLY A 15 5.317 -31.273 -10.876 1.00 41.52 H new ATOM 0 HA3 GLY A 15 6.436 -32.403 -10.140 1.00 41.52 H new ATOM 228 N GLY A 16 5.765 -29.413 -8.872 1.00 52.42 N ATOM 229 CA GLY A 16 5.498 -28.728 -7.621 1.00 13.31 C ATOM 230 C GLY A 16 4.498 -27.599 -7.780 1.00 22.25 C ATOM 231 O GLY A 16 4.123 -27.244 -8.897 1.00 41.01 O ATOM 0 H GLY A 16 5.804 -28.808 -9.692 1.00 52.42 H new ATOM 0 HA2 GLY A 16 5.120 -29.444 -6.892 1.00 13.31 H new ATOM 0 HA3 GLY A 16 6.431 -28.330 -7.222 1.00 13.31 H new ATOM 235 N LYS A 17 4.063 -27.034 -6.658 1.00 65.13 N ATOM 236 CA LYS A 17 3.101 -25.939 -6.676 1.00 73.22 C ATOM 237 C LYS A 17 3.812 -24.590 -6.690 1.00 14.35 C ATOM 238 O LYS A 17 4.764 -24.372 -5.941 1.00 0.22 O ATOM 239 CB LYS A 17 2.174 -26.028 -5.461 1.00 43.43 C ATOM 240 CG LYS A 17 1.208 -24.862 -5.348 1.00 15.35 C ATOM 241 CD LYS A 17 1.641 -23.881 -4.271 1.00 41.32 C ATOM 242 CE LYS A 17 1.555 -24.500 -2.885 1.00 31.32 C ATOM 243 NZ LYS A 17 0.356 -24.028 -2.140 1.00 15.45 N ATOM 0 H LYS A 17 4.362 -27.317 -5.725 1.00 65.13 H new ATOM 0 HA LYS A 17 2.507 -26.025 -7.586 1.00 73.22 H new ATOM 0 HB2 LYS A 17 1.605 -26.956 -5.515 1.00 43.43 H new ATOM 0 HB3 LYS A 17 2.779 -26.077 -4.556 1.00 43.43 H new ATOM 0 HG2 LYS A 17 1.145 -24.347 -6.306 1.00 15.35 H new ATOM 0 HG3 LYS A 17 0.210 -25.236 -5.121 1.00 15.35 H new ATOM 0 HD2 LYS A 17 2.664 -23.557 -4.463 1.00 41.32 H new ATOM 0 HD3 LYS A 17 1.012 -22.992 -4.313 1.00 41.32 H new ATOM 0 HE2 LYS A 17 1.523 -25.586 -2.974 1.00 31.32 H new ATOM 0 HE3 LYS A 17 2.454 -24.253 -2.320 1.00 31.32 H new ATOM 0 HZ1 LYS A 17 0.334 -24.473 -1.200 1.00 15.45 H new ATOM 0 HZ2 LYS A 17 0.399 -22.994 -2.033 1.00 15.45 H new ATOM 0 HZ3 LYS A 17 -0.503 -24.286 -2.666 1.00 15.45 H new ATOM 257 N SER A 18 3.342 -23.687 -7.544 1.00 54.23 N ATOM 258 CA SER A 18 3.934 -22.359 -7.656 1.00 62.13 C ATOM 259 C SER A 18 2.917 -21.279 -7.303 1.00 12.53 C ATOM 260 O SER A 18 1.709 -21.481 -7.431 1.00 41.34 O ATOM 261 CB SER A 18 4.465 -22.132 -9.073 1.00 74.12 C ATOM 262 OG SER A 18 3.897 -23.057 -9.984 1.00 63.34 O ATOM 0 H SER A 18 2.553 -23.851 -8.169 1.00 54.23 H new ATOM 0 HA SER A 18 4.763 -22.297 -6.951 1.00 62.13 H new ATOM 0 HB2 SER A 18 4.236 -21.115 -9.392 1.00 74.12 H new ATOM 0 HB3 SER A 18 5.550 -22.231 -9.078 1.00 74.12 H new ATOM 0 HG SER A 18 4.612 -23.510 -10.479 1.00 63.34 H new ATOM 268 N PHE A 19 3.414 -20.130 -6.856 1.00 41.02 N ATOM 269 CA PHE A 19 2.550 -19.016 -6.482 1.00 72.55 C ATOM 270 C PHE A 19 3.238 -17.681 -6.749 1.00 13.22 C ATOM 271 O PHE A 19 4.465 -17.585 -6.719 1.00 32.43 O ATOM 272 CB PHE A 19 2.162 -19.118 -5.006 1.00 13.31 C ATOM 273 CG PHE A 19 3.255 -19.668 -4.135 1.00 50.31 C ATOM 274 CD1 PHE A 19 4.442 -18.973 -3.970 1.00 24.35 C ATOM 275 CD2 PHE A 19 3.095 -20.880 -3.483 1.00 3.44 C ATOM 276 CE1 PHE A 19 5.450 -19.476 -3.169 1.00 24.54 C ATOM 277 CE2 PHE A 19 4.099 -21.387 -2.680 1.00 65.52 C ATOM 278 CZ PHE A 19 5.279 -20.686 -2.524 1.00 11.30 C ATOM 0 H PHE A 19 4.411 -19.946 -6.744 1.00 41.02 H new ATOM 0 HA PHE A 19 1.648 -19.067 -7.092 1.00 72.55 H new ATOM 0 HB2 PHE A 19 1.882 -18.129 -4.643 1.00 13.31 H new ATOM 0 HB3 PHE A 19 1.281 -19.753 -4.913 1.00 13.31 H new ATOM 0 HD1 PHE A 19 4.581 -18.027 -4.473 1.00 24.35 H new ATOM 0 HD2 PHE A 19 2.176 -21.434 -3.604 1.00 3.44 H new ATOM 0 HE1 PHE A 19 6.370 -18.924 -3.047 1.00 24.54 H new ATOM 0 HE2 PHE A 19 3.961 -22.331 -2.174 1.00 65.52 H new ATOM 0 HZ PHE A 19 6.066 -21.083 -1.900 1.00 11.30 H new ATOM 288 N ASP A 20 2.438 -16.652 -7.010 1.00 25.41 N ATOM 289 CA ASP A 20 2.969 -15.321 -7.281 1.00 70.44 C ATOM 290 C ASP A 20 1.880 -14.263 -7.138 1.00 1.32 C ATOM 291 O ASP A 20 1.156 -13.970 -8.089 1.00 35.54 O ATOM 292 CB ASP A 20 3.570 -15.265 -8.687 1.00 31.42 C ATOM 293 CG ASP A 20 4.113 -13.892 -9.030 1.00 22.32 C ATOM 294 OD1 ASP A 20 4.589 -13.196 -8.109 1.00 52.11 O ATOM 295 OD2 ASP A 20 4.062 -13.514 -10.219 1.00 51.40 O ATOM 0 H ASP A 20 1.420 -16.714 -7.040 1.00 25.41 H new ATOM 0 HA ASP A 20 3.751 -15.113 -6.551 1.00 70.44 H new ATOM 0 HB2 ASP A 20 4.371 -16.000 -8.766 1.00 31.42 H new ATOM 0 HB3 ASP A 20 2.809 -15.544 -9.416 1.00 31.42 H new ATOM 300 N ALA A 21 1.770 -13.692 -5.942 1.00 63.44 N ATOM 301 CA ALA A 21 0.771 -12.666 -5.675 1.00 12.24 C ATOM 302 C ALA A 21 1.336 -11.271 -5.922 1.00 21.31 C ATOM 303 O ALA A 21 2.551 -11.069 -5.900 1.00 13.13 O ATOM 304 CB ALA A 21 0.261 -12.785 -4.246 1.00 23.21 C ATOM 0 H ALA A 21 2.361 -13.923 -5.143 1.00 63.44 H new ATOM 0 HA ALA A 21 -0.062 -12.819 -6.361 1.00 12.24 H new ATOM 0 HB1 ALA A 21 -0.485 -12.012 -4.060 1.00 23.21 H new ATOM 0 HB2 ALA A 21 -0.190 -13.767 -4.101 1.00 23.21 H new ATOM 0 HB3 ALA A 21 1.092 -12.661 -3.552 1.00 23.21 H new ATOM 310 N THR A 22 0.448 -10.311 -6.158 1.00 53.15 N ATOM 311 CA THR A 22 0.858 -8.936 -6.412 1.00 2.30 C ATOM 312 C THR A 22 0.851 -8.114 -5.128 1.00 21.21 C ATOM 313 O THR A 22 0.447 -6.952 -5.126 1.00 14.43 O ATOM 314 CB THR A 22 -0.059 -8.257 -7.447 1.00 30.40 C ATOM 315 OG1 THR A 22 -0.502 -9.217 -8.412 1.00 73.54 O ATOM 316 CG2 THR A 22 0.667 -7.121 -8.151 1.00 10.11 C ATOM 0 H THR A 22 -0.561 -10.461 -6.179 1.00 53.15 H new ATOM 0 HA THR A 22 1.872 -8.978 -6.809 1.00 2.30 H new ATOM 0 HB THR A 22 -0.921 -7.845 -6.922 1.00 30.40 H new ATOM 0 HG1 THR A 22 -1.086 -8.778 -9.066 1.00 73.54 H new ATOM 0 HG21 THR A 22 -0.001 -6.657 -8.877 1.00 10.11 H new ATOM 0 HG22 THR A 22 0.978 -6.378 -7.417 1.00 10.11 H new ATOM 0 HG23 THR A 22 1.545 -7.513 -8.664 1.00 10.11 H new ATOM 324 N SER A 23 1.302 -8.726 -4.037 1.00 52.31 N ATOM 325 CA SER A 23 1.344 -8.051 -2.745 1.00 63.10 C ATOM 326 C SER A 23 2.538 -8.528 -1.922 1.00 55.24 C ATOM 327 O SER A 23 3.585 -7.881 -1.895 1.00 14.24 O ATOM 328 CB SER A 23 0.047 -8.299 -1.973 1.00 73.15 C ATOM 329 OG SER A 23 -1.033 -7.582 -2.547 1.00 24.00 O ATOM 0 H SER A 23 1.643 -9.687 -4.022 1.00 52.31 H new ATOM 0 HA SER A 23 1.452 -6.981 -2.925 1.00 63.10 H new ATOM 0 HB2 SER A 23 -0.180 -9.365 -1.971 1.00 73.15 H new ATOM 0 HB3 SER A 23 0.176 -7.998 -0.933 1.00 73.15 H new ATOM 0 HG SER A 23 -1.851 -7.758 -2.037 1.00 24.00 H new ATOM 335 N ASP A 24 2.371 -9.663 -1.254 1.00 30.43 N ATOM 336 CA ASP A 24 3.434 -10.229 -0.430 1.00 54.15 C ATOM 337 C ASP A 24 3.155 -11.695 -0.115 1.00 73.21 C ATOM 338 O ASP A 24 2.102 -12.034 0.426 1.00 44.33 O ATOM 339 CB ASP A 24 3.580 -9.434 0.868 1.00 72.00 C ATOM 340 CG ASP A 24 4.723 -8.440 0.813 1.00 41.04 C ATOM 341 OD1 ASP A 24 5.800 -8.803 0.295 1.00 30.14 O ATOM 342 OD2 ASP A 24 4.541 -7.299 1.287 1.00 24.04 O ATOM 0 H ASP A 24 1.510 -10.210 -1.266 1.00 30.43 H new ATOM 0 HA ASP A 24 4.367 -10.168 -0.991 1.00 54.15 H new ATOM 0 HB2 ASP A 24 2.650 -8.903 1.072 1.00 72.00 H new ATOM 0 HB3 ASP A 24 3.742 -10.123 1.697 1.00 72.00 H new ATOM 347 N GLN A 25 4.104 -12.560 -0.458 1.00 1.11 N ATOM 348 CA GLN A 25 3.959 -13.990 -0.213 1.00 10.13 C ATOM 349 C GLN A 25 4.278 -14.328 1.240 1.00 73.21 C ATOM 350 O GLN A 25 4.905 -13.551 1.960 1.00 31.54 O ATOM 351 CB GLN A 25 4.874 -14.784 -1.146 1.00 71.33 C ATOM 352 CG GLN A 25 4.143 -15.421 -2.317 1.00 62.04 C ATOM 353 CD GLN A 25 3.129 -14.488 -2.949 1.00 71.22 C ATOM 354 OE1 GLN A 25 1.972 -14.857 -3.155 1.00 24.51 O ATOM 355 NE2 GLN A 25 3.558 -13.271 -3.261 1.00 14.31 N ATOM 0 H GLN A 25 4.981 -12.296 -0.906 1.00 1.11 H new ATOM 0 HA GLN A 25 2.923 -14.264 -0.412 1.00 10.13 H new ATOM 0 HB2 GLN A 25 5.651 -14.122 -1.530 1.00 71.33 H new ATOM 0 HB3 GLN A 25 5.375 -15.564 -0.573 1.00 71.33 H new ATOM 0 HG2 GLN A 25 4.869 -15.727 -3.071 1.00 62.04 H new ATOM 0 HG3 GLN A 25 3.637 -16.324 -1.977 1.00 62.04 H new ATOM 0 HE21 GLN A 25 4.525 -13.007 -3.073 1.00 14.31 H new ATOM 0 HE22 GLN A 25 2.920 -12.600 -3.689 1.00 14.31 H new ATOM 364 N PRO A 26 3.836 -15.515 1.682 1.00 11.13 N ATOM 365 CA PRO A 26 4.063 -15.983 3.053 1.00 74.12 C ATOM 366 C PRO A 26 5.515 -16.378 3.298 1.00 50.23 C ATOM 367 O PRO A 26 6.381 -16.151 2.454 1.00 72.45 O ATOM 368 CB PRO A 26 3.150 -17.207 3.165 1.00 13.31 C ATOM 369 CG PRO A 26 2.988 -17.688 1.765 1.00 74.23 C ATOM 370 CD PRO A 26 3.082 -16.491 0.878 1.00 34.24 C ATOM 0 HA PRO A 26 3.852 -15.207 3.789 1.00 74.12 H new ATOM 0 HB2 PRO A 26 3.594 -17.975 3.799 1.00 13.31 H new ATOM 0 HB3 PRO A 26 2.189 -16.945 3.607 1.00 13.31 H new ATOM 0 HG2 PRO A 26 3.761 -18.415 1.515 1.00 74.23 H new ATOM 0 HG3 PRO A 26 2.028 -18.188 1.638 1.00 74.23 H new ATOM 0 HD2 PRO A 26 3.597 -16.724 -0.054 1.00 34.24 H new ATOM 0 HD3 PRO A 26 2.095 -16.112 0.612 1.00 34.24 H new ATOM 378 N GLY A 27 5.775 -16.970 4.459 1.00 32.34 N ATOM 379 CA GLY A 27 7.124 -17.387 4.794 1.00 30.31 C ATOM 380 C GLY A 27 7.457 -18.763 4.252 1.00 51.04 C ATOM 381 O GLY A 27 6.623 -19.668 4.281 1.00 1.41 O ATOM 0 H GLY A 27 5.075 -17.168 5.174 1.00 32.34 H new ATOM 0 HA2 GLY A 27 7.834 -16.662 4.397 1.00 30.31 H new ATOM 0 HA3 GLY A 27 7.242 -17.388 5.878 1.00 30.31 H new ATOM 385 N ALA A 28 8.679 -18.921 3.753 1.00 33.02 N ATOM 386 CA ALA A 28 9.120 -20.196 3.202 1.00 72.21 C ATOM 387 C ALA A 28 9.783 -21.057 4.272 1.00 73.01 C ATOM 388 O ALA A 28 9.705 -20.754 5.462 1.00 64.42 O ATOM 389 CB ALA A 28 10.075 -19.967 2.040 1.00 52.21 C ATOM 0 H ALA A 28 9.381 -18.182 3.719 1.00 33.02 H new ATOM 0 HA ALA A 28 8.242 -20.729 2.837 1.00 72.21 H new ATOM 0 HB1 ALA A 28 10.396 -20.928 1.638 1.00 52.21 H new ATOM 0 HB2 ALA A 28 9.569 -19.398 1.260 1.00 52.21 H new ATOM 0 HB3 ALA A 28 10.945 -19.410 2.388 1.00 52.21 H new ATOM 395 N GLY A 29 10.434 -22.133 3.840 1.00 3.31 N ATOM 396 CA GLY A 29 11.100 -23.021 4.774 1.00 25.23 C ATOM 397 C GLY A 29 10.383 -24.348 4.924 1.00 21.14 C ATOM 398 O GLY A 29 9.536 -24.508 5.804 1.00 43.43 O ATOM 0 H GLY A 29 10.512 -22.405 2.860 1.00 3.31 H new ATOM 0 HA2 GLY A 29 12.121 -23.199 4.436 1.00 25.23 H new ATOM 0 HA3 GLY A 29 11.167 -22.535 5.748 1.00 25.23 H new ATOM 402 N ASP A 30 10.721 -25.302 4.064 1.00 53.13 N ATOM 403 CA ASP A 30 10.102 -26.622 4.104 1.00 43.01 C ATOM 404 C ASP A 30 10.380 -27.312 5.436 1.00 40.21 C ATOM 405 O ASP A 30 10.864 -26.689 6.380 1.00 43.45 O ATOM 406 CB ASP A 30 10.617 -27.485 2.951 1.00 23.32 C ATOM 407 CG ASP A 30 9.533 -28.361 2.355 1.00 62.42 C ATOM 408 OD1 ASP A 30 9.260 -29.439 2.925 1.00 52.40 O ATOM 409 OD2 ASP A 30 8.958 -27.970 1.318 1.00 15.55 O ATOM 0 H ASP A 30 11.420 -25.186 3.330 1.00 53.13 H new ATOM 0 HA ASP A 30 9.025 -26.495 3.999 1.00 43.01 H new ATOM 0 HB2 ASP A 30 11.028 -26.840 2.174 1.00 23.32 H new ATOM 0 HB3 ASP A 30 11.433 -28.114 3.308 1.00 23.32 H new ATOM 414 N ASN A 31 10.069 -28.602 5.505 1.00 74.15 N ATOM 415 CA ASN A 31 10.283 -29.376 6.722 1.00 62.43 C ATOM 416 C ASN A 31 11.768 -29.451 7.065 1.00 51.54 C ATOM 417 O ASN A 31 12.599 -28.814 6.416 1.00 51.24 O ATOM 418 CB ASN A 31 9.715 -30.788 6.560 1.00 14.40 C ATOM 419 CG ASN A 31 8.314 -30.783 5.979 1.00 33.52 C ATOM 420 OD1 ASN A 31 8.111 -31.131 4.816 1.00 61.52 O ATOM 421 ND2 ASN A 31 7.339 -30.388 6.789 1.00 34.13 N ATOM 0 H ASN A 31 9.668 -29.133 4.732 1.00 74.15 H new ATOM 0 HA ASN A 31 9.764 -28.873 7.538 1.00 62.43 H new ATOM 0 HB2 ASN A 31 10.372 -31.369 5.913 1.00 14.40 H new ATOM 0 HB3 ASN A 31 9.702 -31.285 7.530 1.00 14.40 H new ATOM 0 HD21 ASN A 31 6.376 -30.365 6.454 1.00 34.13 H new ATOM 0 HD22 ASN A 31 7.553 -30.108 7.746 1.00 34.13 H new ATOM 428 N LEU A 32 12.095 -30.232 8.088 1.00 53.10 N ATOM 429 CA LEU A 32 13.480 -30.391 8.518 1.00 53.33 C ATOM 430 C LEU A 32 14.355 -30.875 7.366 1.00 30.12 C ATOM 431 O LEU A 32 14.958 -30.075 6.653 1.00 54.44 O ATOM 432 CB LEU A 32 13.562 -31.375 9.685 1.00 24.44 C ATOM 433 CG LEU A 32 13.178 -30.822 11.058 1.00 24.33 C ATOM 434 CD1 LEU A 32 11.668 -30.693 11.178 1.00 32.44 C ATOM 435 CD2 LEU A 32 13.729 -31.710 12.164 1.00 23.52 C ATOM 0 H LEU A 32 11.420 -30.765 8.636 1.00 53.10 H new ATOM 0 HA LEU A 32 13.848 -29.418 8.845 1.00 53.33 H new ATOM 0 HB2 LEU A 32 12.916 -32.224 9.464 1.00 24.44 H new ATOM 0 HB3 LEU A 32 14.581 -31.757 9.741 1.00 24.44 H new ATOM 0 HG LEU A 32 13.616 -29.830 11.164 1.00 24.33 H new ATOM 0 HD11 LEU A 32 11.414 -30.298 12.162 1.00 32.44 H new ATOM 0 HD12 LEU A 32 11.298 -30.016 10.408 1.00 32.44 H new ATOM 0 HD13 LEU A 32 11.208 -31.673 11.050 1.00 32.44 H new ATOM 0 HD21 LEU A 32 13.446 -31.301 13.134 1.00 23.52 H new ATOM 0 HD22 LEU A 32 13.321 -32.715 12.061 1.00 23.52 H new ATOM 0 HD23 LEU A 32 14.816 -31.751 12.091 1.00 23.52 H new ATOM 447 N ASN A 33 14.418 -32.191 7.191 1.00 70.04 N ATOM 448 CA ASN A 33 15.218 -32.782 6.124 1.00 22.44 C ATOM 449 C ASN A 33 14.371 -33.023 4.878 1.00 5.12 C ATOM 450 O ASN A 33 14.143 -34.166 4.482 1.00 40.24 O ATOM 451 CB ASN A 33 15.839 -34.099 6.595 1.00 61.32 C ATOM 452 CG ASN A 33 16.239 -34.060 8.057 1.00 30.11 C ATOM 453 OD1 ASN A 33 17.346 -33.643 8.398 1.00 31.25 O ATOM 454 ND2 ASN A 33 15.337 -34.496 8.929 1.00 51.12 N ATOM 0 H ASN A 33 13.925 -32.868 7.774 1.00 70.04 H new ATOM 0 HA ASN A 33 16.014 -32.082 5.870 1.00 22.44 H new ATOM 0 HB2 ASN A 33 15.128 -34.910 6.437 1.00 61.32 H new ATOM 0 HB3 ASN A 33 16.716 -34.322 5.987 1.00 61.32 H new ATOM 0 HD21 ASN A 33 15.549 -34.494 9.927 1.00 51.12 H new ATOM 0 HD22 ASN A 33 14.432 -34.833 8.601 1.00 51.12 H new ATOM 461 N ASP A 34 13.909 -31.939 4.265 1.00 5.34 N ATOM 462 CA ASP A 34 13.089 -32.031 3.063 1.00 3.11 C ATOM 463 C ASP A 34 12.940 -30.665 2.401 1.00 1.30 C ATOM 464 O ASP A 34 11.854 -30.294 1.955 1.00 10.01 O ATOM 465 CB ASP A 34 11.711 -32.600 3.403 1.00 70.34 C ATOM 466 CG ASP A 34 10.981 -33.117 2.179 1.00 72.52 C ATOM 467 OD1 ASP A 34 11.371 -34.186 1.662 1.00 12.31 O ATOM 468 OD2 ASP A 34 10.019 -32.455 1.738 1.00 13.43 O ATOM 0 H ASP A 34 14.089 -30.986 4.581 1.00 5.34 H new ATOM 0 HA ASP A 34 13.588 -32.701 2.363 1.00 3.11 H new ATOM 0 HB2 ASP A 34 11.823 -33.409 4.125 1.00 70.34 H new ATOM 0 HB3 ASP A 34 11.110 -31.827 3.882 1.00 70.34 H new ATOM 473 N LYS A 35 14.038 -29.919 2.341 1.00 0.11 N ATOM 474 CA LYS A 35 14.031 -28.593 1.734 1.00 70.33 C ATOM 475 C LYS A 35 14.680 -28.624 0.354 1.00 54.25 C ATOM 476 O LYS A 35 15.905 -28.650 0.234 1.00 71.01 O ATOM 477 CB LYS A 35 14.764 -27.594 2.632 1.00 64.43 C ATOM 478 CG LYS A 35 15.022 -26.254 1.966 1.00 1.42 C ATOM 479 CD LYS A 35 13.727 -25.588 1.533 1.00 14.35 C ATOM 480 CE LYS A 35 13.566 -25.612 0.021 1.00 13.42 C ATOM 481 NZ LYS A 35 12.232 -26.135 -0.387 1.00 4.25 N ATOM 0 H LYS A 35 14.945 -30.210 2.706 1.00 0.11 H new ATOM 0 HA LYS A 35 12.994 -28.277 1.622 1.00 70.33 H new ATOM 0 HB2 LYS A 35 14.178 -27.434 3.537 1.00 64.43 H new ATOM 0 HB3 LYS A 35 15.716 -28.026 2.941 1.00 64.43 H new ATOM 0 HG2 LYS A 35 15.555 -25.600 2.656 1.00 1.42 H new ATOM 0 HG3 LYS A 35 15.667 -26.396 1.099 1.00 1.42 H new ATOM 0 HD2 LYS A 35 12.882 -26.096 1.998 1.00 14.35 H new ATOM 0 HD3 LYS A 35 13.712 -24.557 1.885 1.00 14.35 H new ATOM 0 HE2 LYS A 35 13.697 -24.605 -0.374 1.00 13.42 H new ATOM 0 HE3 LYS A 35 14.348 -26.231 -0.418 1.00 13.42 H new ATOM 0 HZ1 LYS A 35 12.305 -26.577 -1.326 1.00 4.25 H new ATOM 0 HZ2 LYS A 35 11.910 -26.842 0.304 1.00 4.25 H new ATOM 0 HZ3 LYS A 35 11.549 -25.352 -0.425 1.00 4.25 H new ATOM 495 N ILE A 36 13.851 -28.619 -0.685 1.00 12.20 N ATOM 496 CA ILE A 36 14.345 -28.643 -2.056 1.00 73.21 C ATOM 497 C ILE A 36 13.336 -28.021 -3.015 1.00 54.21 C ATOM 498 O ILE A 36 12.308 -28.622 -3.328 1.00 22.43 O ATOM 499 CB ILE A 36 14.656 -30.079 -2.517 1.00 33.40 C ATOM 500 CG1 ILE A 36 13.505 -31.018 -2.146 1.00 44.32 C ATOM 501 CG2 ILE A 36 15.960 -30.563 -1.901 1.00 1.32 C ATOM 502 CD1 ILE A 36 13.083 -31.932 -3.275 1.00 43.32 C ATOM 0 H ILE A 36 12.835 -28.599 -0.603 1.00 12.20 H new ATOM 0 HA ILE A 36 15.265 -28.058 -2.070 1.00 73.21 H new ATOM 0 HB ILE A 36 14.767 -30.080 -3.601 1.00 33.40 H new ATOM 0 HG12 ILE A 36 13.803 -31.624 -1.291 1.00 44.32 H new ATOM 0 HG13 ILE A 36 12.648 -30.422 -1.832 1.00 44.32 H new ATOM 0 HG21 ILE A 36 16.166 -31.579 -2.237 1.00 1.32 H new ATOM 0 HG22 ILE A 36 16.774 -29.907 -2.210 1.00 1.32 H new ATOM 0 HG23 ILE A 36 15.876 -30.550 -0.814 1.00 1.32 H new ATOM 0 HD11 ILE A 36 12.264 -32.569 -2.941 1.00 43.32 H new ATOM 0 HD12 ILE A 36 12.754 -31.333 -4.124 1.00 43.32 H new ATOM 0 HD13 ILE A 36 13.927 -32.554 -3.575 1.00 43.32 H new ATOM 514 N SER A 37 13.637 -26.813 -3.480 1.00 52.42 N ATOM 515 CA SER A 37 12.755 -26.107 -4.403 1.00 21.12 C ATOM 516 C SER A 37 13.552 -25.171 -5.307 1.00 14.13 C ATOM 517 O SER A 37 14.780 -25.234 -5.355 1.00 50.54 O ATOM 518 CB SER A 37 11.702 -25.313 -3.628 1.00 51.41 C ATOM 519 OG SER A 37 12.274 -24.171 -3.014 1.00 1.11 O ATOM 0 H SER A 37 14.485 -26.302 -3.233 1.00 52.42 H new ATOM 0 HA SER A 37 12.255 -26.847 -5.027 1.00 21.12 H new ATOM 0 HB2 SER A 37 10.904 -25.005 -4.304 1.00 51.41 H new ATOM 0 HB3 SER A 37 11.248 -25.949 -2.868 1.00 51.41 H new ATOM 0 HG SER A 37 11.580 -23.680 -2.526 1.00 1.11 H new ATOM 525 N SER A 38 12.842 -24.303 -6.021 1.00 63.12 N ATOM 526 CA SER A 38 13.481 -23.356 -6.927 1.00 3.30 C ATOM 527 C SER A 38 12.962 -21.941 -6.688 1.00 61.12 C ATOM 528 O SER A 38 11.830 -21.751 -6.242 1.00 42.14 O ATOM 529 CB SER A 38 13.236 -23.763 -8.381 1.00 55.31 C ATOM 530 OG SER A 38 12.775 -25.100 -8.465 1.00 61.35 O ATOM 0 H SER A 38 11.825 -24.236 -5.990 1.00 63.12 H new ATOM 0 HA SER A 38 14.553 -23.369 -6.730 1.00 3.30 H new ATOM 0 HB2 SER A 38 12.503 -23.093 -8.831 1.00 55.31 H new ATOM 0 HB3 SER A 38 14.158 -23.656 -8.952 1.00 55.31 H new ATOM 0 HG SER A 38 11.972 -25.134 -9.025 1.00 61.35 H new ATOM 536 N ILE A 39 13.798 -20.953 -6.988 1.00 52.41 N ATOM 537 CA ILE A 39 13.424 -19.555 -6.807 1.00 73.44 C ATOM 538 C ILE A 39 13.525 -18.785 -8.120 1.00 31.24 C ATOM 539 O ILE A 39 14.442 -19.003 -8.912 1.00 31.44 O ATOM 540 CB ILE A 39 14.309 -18.868 -5.752 1.00 2.53 C ATOM 541 CG1 ILE A 39 13.756 -19.119 -4.348 1.00 34.03 C ATOM 542 CG2 ILE A 39 14.403 -17.375 -6.030 1.00 41.24 C ATOM 543 CD1 ILE A 39 13.633 -20.586 -4.000 1.00 71.25 C ATOM 0 H ILE A 39 14.738 -21.094 -7.357 1.00 52.41 H new ATOM 0 HA ILE A 39 12.390 -19.547 -6.462 1.00 73.44 H new ATOM 0 HB ILE A 39 15.311 -19.293 -5.809 1.00 2.53 H new ATOM 0 HG12 ILE A 39 14.405 -18.634 -3.619 1.00 34.03 H new ATOM 0 HG13 ILE A 39 12.775 -18.650 -4.263 1.00 34.03 H new ATOM 0 HG21 ILE A 39 15.032 -16.903 -5.275 1.00 41.24 H new ATOM 0 HG22 ILE A 39 14.838 -17.215 -7.017 1.00 41.24 H new ATOM 0 HG23 ILE A 39 13.406 -16.935 -5.998 1.00 41.24 H new ATOM 0 HD11 ILE A 39 13.235 -20.688 -2.991 1.00 71.25 H new ATOM 0 HD12 ILE A 39 12.960 -21.072 -4.707 1.00 71.25 H new ATOM 0 HD13 ILE A 39 14.615 -21.056 -4.052 1.00 71.25 H new ATOM 555 N LYS A 40 12.577 -17.881 -8.343 1.00 61.22 N ATOM 556 CA LYS A 40 12.560 -17.075 -9.558 1.00 13.43 C ATOM 557 C LYS A 40 12.133 -15.642 -9.253 1.00 70.14 C ATOM 558 O LYS A 40 11.178 -15.413 -8.511 1.00 51.43 O ATOM 559 CB LYS A 40 11.614 -17.691 -10.591 1.00 33.35 C ATOM 560 CG LYS A 40 11.888 -17.237 -12.014 1.00 32.42 C ATOM 561 CD LYS A 40 10.600 -16.930 -12.759 1.00 73.21 C ATOM 562 CE LYS A 40 10.673 -17.383 -14.209 1.00 44.44 C ATOM 563 NZ LYS A 40 9.340 -17.344 -14.871 1.00 33.22 N ATOM 0 H LYS A 40 11.811 -17.688 -7.698 1.00 61.22 H new ATOM 0 HA LYS A 40 13.571 -17.056 -9.966 1.00 13.43 H new ATOM 0 HB2 LYS A 40 11.695 -18.777 -10.543 1.00 33.35 H new ATOM 0 HB3 LYS A 40 10.587 -17.436 -10.329 1.00 33.35 H new ATOM 0 HG2 LYS A 40 12.521 -16.350 -11.998 1.00 32.42 H new ATOM 0 HG3 LYS A 40 12.440 -18.013 -12.544 1.00 32.42 H new ATOM 0 HD2 LYS A 40 9.765 -17.425 -12.264 1.00 73.21 H new ATOM 0 HD3 LYS A 40 10.403 -15.859 -12.721 1.00 73.21 H new ATOM 0 HE2 LYS A 40 11.368 -16.744 -14.754 1.00 44.44 H new ATOM 0 HE3 LYS A 40 11.071 -18.397 -14.253 1.00 44.44 H new ATOM 0 HZ1 LYS A 40 9.433 -17.660 -15.857 1.00 33.22 H new ATOM 0 HZ2 LYS A 40 8.683 -17.973 -14.366 1.00 33.22 H new ATOM 0 HZ3 LYS A 40 8.971 -16.372 -14.852 1.00 33.22 H new ATOM 577 N VAL A 41 12.846 -14.681 -9.832 1.00 60.35 N ATOM 578 CA VAL A 41 12.539 -13.271 -9.625 1.00 63.01 C ATOM 579 C VAL A 41 13.199 -12.403 -10.691 1.00 11.24 C ATOM 580 O VAL A 41 14.347 -12.632 -11.071 1.00 60.35 O ATOM 581 CB VAL A 41 12.999 -12.795 -8.234 1.00 72.31 C ATOM 582 CG1 VAL A 41 14.518 -12.760 -8.157 1.00 15.25 C ATOM 583 CG2 VAL A 41 12.408 -11.430 -7.917 1.00 4.24 C ATOM 0 H VAL A 41 13.640 -14.854 -10.448 1.00 60.35 H new ATOM 0 HA VAL A 41 11.456 -13.169 -9.696 1.00 63.01 H new ATOM 0 HB VAL A 41 12.638 -13.503 -7.488 1.00 72.31 H new ATOM 0 HG11 VAL A 41 14.824 -12.421 -7.167 1.00 15.25 H new ATOM 0 HG12 VAL A 41 14.915 -13.759 -8.338 1.00 15.25 H new ATOM 0 HG13 VAL A 41 14.905 -12.074 -8.911 1.00 15.25 H new ATOM 0 HG21 VAL A 41 12.743 -11.109 -6.931 1.00 4.24 H new ATOM 0 HG22 VAL A 41 12.737 -10.709 -8.665 1.00 4.24 H new ATOM 0 HG23 VAL A 41 11.320 -11.493 -7.928 1.00 4.24 H new ATOM 593 N LYS A 42 12.466 -11.403 -11.169 1.00 35.32 N ATOM 594 CA LYS A 42 12.978 -10.498 -12.190 1.00 5.42 C ATOM 595 C LYS A 42 12.832 -9.044 -11.751 1.00 75.02 C ATOM 596 O LYS A 42 12.479 -8.177 -12.551 1.00 31.21 O ATOM 597 CB LYS A 42 12.243 -10.719 -13.513 1.00 53.13 C ATOM 598 CG LYS A 42 13.028 -10.260 -14.730 1.00 12.42 C ATOM 599 CD LYS A 42 13.512 -11.438 -15.558 1.00 42.32 C ATOM 600 CE LYS A 42 14.737 -12.090 -14.936 1.00 62.40 C ATOM 601 NZ LYS A 42 15.993 -11.385 -15.313 1.00 2.32 N ATOM 0 H LYS A 42 11.514 -11.199 -10.865 1.00 35.32 H new ATOM 0 HA LYS A 42 14.037 -10.712 -12.331 1.00 5.42 H new ATOM 0 HB2 LYS A 42 12.013 -11.779 -13.618 1.00 53.13 H new ATOM 0 HB3 LYS A 42 11.292 -10.188 -13.483 1.00 53.13 H new ATOM 0 HG2 LYS A 42 12.402 -9.614 -15.346 1.00 12.42 H new ATOM 0 HG3 LYS A 42 13.882 -9.664 -14.409 1.00 12.42 H new ATOM 0 HD2 LYS A 42 12.713 -12.174 -15.648 1.00 42.32 H new ATOM 0 HD3 LYS A 42 13.750 -11.102 -16.567 1.00 42.32 H new ATOM 0 HE2 LYS A 42 14.635 -12.094 -13.851 1.00 62.40 H new ATOM 0 HE3 LYS A 42 14.795 -13.131 -15.254 1.00 62.40 H new ATOM 0 HZ1 LYS A 42 16.805 -11.860 -14.869 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 16.104 -11.403 -16.347 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 15.949 -10.398 -14.987 1.00 2.32 H new ATOM 615 N SER A 43 13.106 -8.785 -10.477 1.00 15.43 N ATOM 616 CA SER A 43 13.001 -7.436 -9.932 1.00 25.13 C ATOM 617 C SER A 43 13.345 -7.423 -8.445 1.00 41.13 C ATOM 618 O SER A 43 12.951 -8.317 -7.698 1.00 24.04 O ATOM 619 CB SER A 43 11.591 -6.884 -10.145 1.00 74.35 C ATOM 620 OG SER A 43 11.314 -5.828 -9.243 1.00 0.34 O ATOM 0 H SER A 43 13.402 -9.491 -9.803 1.00 15.43 H new ATOM 0 HA SER A 43 13.714 -6.802 -10.459 1.00 25.13 H new ATOM 0 HB2 SER A 43 11.488 -6.527 -11.170 1.00 74.35 H new ATOM 0 HB3 SER A 43 10.861 -7.682 -10.010 1.00 74.35 H new ATOM 0 HG SER A 43 10.407 -5.492 -9.401 1.00 0.34 H new ATOM 626 N GLY A 44 14.083 -6.400 -8.024 1.00 24.41 N ATOM 627 CA GLY A 44 14.469 -6.289 -6.629 1.00 53.32 C ATOM 628 C GLY A 44 15.265 -7.486 -6.150 1.00 44.11 C ATOM 629 O GLY A 44 15.557 -8.398 -6.924 1.00 63.04 O ATOM 0 H GLY A 44 14.420 -5.647 -8.623 1.00 24.41 H new ATOM 0 HA2 GLY A 44 15.061 -5.384 -6.490 1.00 53.32 H new ATOM 0 HA3 GLY A 44 13.575 -6.182 -6.015 1.00 53.32 H new ATOM 633 N THR A 45 15.621 -7.484 -4.869 1.00 32.20 N ATOM 634 CA THR A 45 16.391 -8.576 -4.288 1.00 62.51 C ATOM 635 C THR A 45 15.985 -8.826 -2.840 1.00 65.10 C ATOM 636 O THR A 45 15.613 -7.899 -2.122 1.00 13.35 O ATOM 637 CB THR A 45 17.903 -8.289 -4.343 1.00 44.23 C ATOM 638 OG1 THR A 45 18.251 -7.303 -3.365 1.00 13.14 O ATOM 639 CG2 THR A 45 18.312 -7.804 -5.726 1.00 51.11 C ATOM 0 H THR A 45 15.388 -6.738 -4.214 1.00 32.20 H new ATOM 0 HA THR A 45 16.176 -9.465 -4.881 1.00 62.51 H new ATOM 0 HB THR A 45 18.434 -9.216 -4.128 1.00 44.23 H new ATOM 0 HG1 THR A 45 19.214 -7.128 -3.406 1.00 13.14 H new ATOM 0 HG21 THR A 45 19.384 -7.608 -5.740 1.00 51.11 H new ATOM 0 HG22 THR A 45 18.073 -8.569 -6.465 1.00 51.11 H new ATOM 0 HG23 THR A 45 17.772 -6.888 -5.965 1.00 51.11 H new ATOM 647 N TRP A 46 16.061 -10.083 -2.418 1.00 1.11 N ATOM 648 CA TRP A 46 15.702 -10.454 -1.054 1.00 11.22 C ATOM 649 C TRP A 46 16.907 -11.013 -0.306 1.00 45.13 C ATOM 650 O TRP A 46 17.982 -11.182 -0.882 1.00 64.11 O ATOM 651 CB TRP A 46 14.570 -11.483 -1.064 1.00 45.03 C ATOM 652 CG TRP A 46 13.622 -11.312 -2.212 1.00 44.34 C ATOM 653 CD1 TRP A 46 13.055 -10.145 -2.640 1.00 21.22 C ATOM 654 CD2 TRP A 46 13.130 -12.340 -3.078 1.00 21.40 C ATOM 655 NE1 TRP A 46 12.240 -10.387 -3.719 1.00 54.11 N ATOM 656 CE2 TRP A 46 12.269 -11.726 -4.008 1.00 41.51 C ATOM 657 CE3 TRP A 46 13.334 -13.720 -3.159 1.00 62.44 C ATOM 658 CZ2 TRP A 46 11.614 -12.445 -5.004 1.00 50.20 C ATOM 659 CZ3 TRP A 46 12.683 -14.433 -4.148 1.00 50.12 C ATOM 660 CH2 TRP A 46 11.832 -13.795 -5.060 1.00 40.43 C ATOM 0 H TRP A 46 16.368 -10.862 -3.000 1.00 1.11 H new ATOM 0 HA TRP A 46 15.363 -9.556 -0.538 1.00 11.22 H new ATOM 0 HB2 TRP A 46 14.999 -12.484 -1.103 1.00 45.03 H new ATOM 0 HB3 TRP A 46 14.014 -11.410 -0.129 1.00 45.03 H new ATOM 0 HD1 TRP A 46 13.223 -9.175 -2.196 1.00 21.22 H new ATOM 0 HE1 TRP A 46 11.700 -9.684 -4.223 1.00 54.11 H new ATOM 0 HE3 TRP A 46 13.989 -14.221 -2.461 1.00 62.44 H new ATOM 0 HZ2 TRP A 46 10.957 -11.955 -5.707 1.00 50.20 H new ATOM 0 HZ3 TRP A 46 12.833 -15.500 -4.219 1.00 50.12 H new ATOM 0 HH2 TRP A 46 11.338 -14.380 -5.822 1.00 40.43 H new ATOM 671 N ARG A 47 16.722 -11.298 0.978 1.00 33.04 N ATOM 672 CA ARG A 47 17.795 -11.837 1.804 1.00 22.43 C ATOM 673 C ARG A 47 17.437 -13.227 2.323 1.00 55.11 C ATOM 674 O ARG A 47 16.452 -13.397 3.042 1.00 20.53 O ATOM 675 CB ARG A 47 18.083 -10.901 2.980 1.00 71.35 C ATOM 676 CG ARG A 47 18.658 -9.558 2.561 1.00 1.15 C ATOM 677 CD ARG A 47 17.618 -8.453 2.656 1.00 53.14 C ATOM 678 NE ARG A 47 18.228 -7.144 2.872 1.00 52.35 N ATOM 679 CZ ARG A 47 17.563 -6.090 3.332 1.00 11.02 C ATOM 680 NH1 ARG A 47 16.274 -6.191 3.624 1.00 34.33 N ATOM 681 NH2 ARG A 47 18.188 -4.932 3.502 1.00 0.11 N ATOM 0 H ARG A 47 15.838 -11.165 1.469 1.00 33.04 H new ATOM 0 HA ARG A 47 18.689 -11.918 1.185 1.00 22.43 H new ATOM 0 HB2 ARG A 47 17.160 -10.734 3.536 1.00 71.35 H new ATOM 0 HB3 ARG A 47 18.781 -11.390 3.660 1.00 71.35 H new ATOM 0 HG2 ARG A 47 19.510 -9.312 3.194 1.00 1.15 H new ATOM 0 HG3 ARG A 47 19.029 -9.623 1.538 1.00 1.15 H new ATOM 0 HD2 ARG A 47 17.028 -8.431 1.740 1.00 53.14 H new ATOM 0 HD3 ARG A 47 16.930 -8.672 3.473 1.00 53.14 H new ATOM 0 HE ARG A 47 19.219 -7.033 2.658 1.00 52.35 H new ATOM 0 HH11 ARG A 47 15.790 -7.080 3.496 1.00 34.33 H new ATOM 0 HH12 ARG A 47 15.766 -5.380 3.977 1.00 34.33 H new ATOM 0 HH21 ARG A 47 19.180 -4.850 3.279 1.00 0.11 H new ATOM 0 HH22 ARG A 47 17.676 -4.123 3.855 1.00 0.11 H new ATOM 695 N PHE A 48 18.241 -14.217 1.952 1.00 25.22 N ATOM 696 CA PHE A 48 18.008 -15.592 2.378 1.00 23.24 C ATOM 697 C PHE A 48 19.039 -16.021 3.419 1.00 73.22 C ATOM 698 O PHE A 48 20.245 -15.920 3.193 1.00 52.14 O ATOM 699 CB PHE A 48 18.058 -16.537 1.176 1.00 53.44 C ATOM 700 CG PHE A 48 16.701 -16.915 0.654 1.00 12.13 C ATOM 701 CD1 PHE A 48 15.994 -17.963 1.221 1.00 70.30 C ATOM 702 CD2 PHE A 48 16.132 -16.222 -0.402 1.00 12.32 C ATOM 703 CE1 PHE A 48 14.746 -18.314 0.743 1.00 54.24 C ATOM 704 CE2 PHE A 48 14.883 -16.567 -0.884 1.00 65.42 C ATOM 705 CZ PHE A 48 14.189 -17.614 -0.310 1.00 61.24 C ATOM 0 H PHE A 48 19.060 -14.093 1.357 1.00 25.22 H new ATOM 0 HA PHE A 48 17.017 -15.642 2.830 1.00 23.24 H new ATOM 0 HB2 PHE A 48 18.628 -16.064 0.376 1.00 53.44 H new ATOM 0 HB3 PHE A 48 18.595 -17.443 1.458 1.00 53.44 H new ATOM 0 HD1 PHE A 48 16.423 -18.512 2.046 1.00 70.30 H new ATOM 0 HD2 PHE A 48 16.671 -15.402 -0.854 1.00 12.32 H new ATOM 0 HE1 PHE A 48 14.206 -19.135 1.192 1.00 54.24 H new ATOM 0 HE2 PHE A 48 14.451 -16.019 -1.708 1.00 65.42 H new ATOM 0 HZ PHE A 48 13.213 -17.885 -0.684 1.00 61.24 H new ATOM 715 N TYR A 49 18.555 -16.500 4.559 1.00 13.14 N ATOM 716 CA TYR A 49 19.432 -16.942 5.637 1.00 44.34 C ATOM 717 C TYR A 49 18.893 -18.208 6.294 1.00 33.03 C ATOM 718 O TYR A 49 17.740 -18.255 6.722 1.00 1.45 O ATOM 719 CB TYR A 49 19.587 -15.836 6.683 1.00 72.43 C ATOM 720 CG TYR A 49 18.455 -14.834 6.676 1.00 32.12 C ATOM 721 CD1 TYR A 49 17.294 -15.063 7.405 1.00 71.44 C ATOM 722 CD2 TYR A 49 18.545 -13.659 5.941 1.00 4.42 C ATOM 723 CE1 TYR A 49 16.257 -14.151 7.401 1.00 14.12 C ATOM 724 CE2 TYR A 49 17.514 -12.740 5.933 1.00 11.22 C ATOM 725 CZ TYR A 49 16.372 -12.991 6.664 1.00 14.54 C ATOM 726 OH TYR A 49 15.341 -12.078 6.658 1.00 62.51 O ATOM 0 H TYR A 49 17.559 -16.592 4.761 1.00 13.14 H new ATOM 0 HA TYR A 49 20.409 -17.166 5.208 1.00 44.34 H new ATOM 0 HB2 TYR A 49 19.654 -16.289 7.672 1.00 72.43 H new ATOM 0 HB3 TYR A 49 20.527 -15.312 6.509 1.00 72.43 H new ATOM 0 HD1 TYR A 49 17.201 -15.970 7.984 1.00 71.44 H new ATOM 0 HD2 TYR A 49 19.437 -13.460 5.365 1.00 4.42 H new ATOM 0 HE1 TYR A 49 15.361 -14.345 7.972 1.00 14.12 H new ATOM 0 HE2 TYR A 49 17.602 -11.830 5.358 1.00 11.22 H new ATOM 0 HH TYR A 49 15.582 -11.316 6.091 1.00 62.51 H new ATOM 736 N GLU A 50 19.736 -19.233 6.371 1.00 41.22 N ATOM 737 CA GLU A 50 19.344 -20.500 6.976 1.00 22.21 C ATOM 738 C GLU A 50 19.852 -20.597 8.412 1.00 72.41 C ATOM 739 O GLU A 50 20.950 -21.095 8.661 1.00 3.41 O ATOM 740 CB GLU A 50 19.883 -21.672 6.153 1.00 73.23 C ATOM 741 CG GLU A 50 19.420 -23.030 6.653 1.00 62.55 C ATOM 742 CD GLU A 50 20.547 -23.844 7.259 1.00 43.30 C ATOM 743 OE1 GLU A 50 21.614 -23.947 6.618 1.00 24.34 O ATOM 744 OE2 GLU A 50 20.363 -24.376 8.373 1.00 35.31 O ATOM 0 H GLU A 50 20.694 -19.211 6.022 1.00 41.22 H new ATOM 0 HA GLU A 50 18.255 -20.545 6.990 1.00 22.21 H new ATOM 0 HB2 GLU A 50 19.571 -21.550 5.116 1.00 73.23 H new ATOM 0 HB3 GLU A 50 20.973 -21.642 6.164 1.00 73.23 H new ATOM 0 HG2 GLU A 50 18.636 -22.891 7.398 1.00 62.55 H new ATOM 0 HG3 GLU A 50 18.979 -23.586 5.826 1.00 62.55 H new ATOM 751 N TYR A 51 19.045 -20.119 9.352 1.00 53.31 N ATOM 752 CA TYR A 51 19.412 -20.148 10.763 1.00 63.34 C ATOM 753 C TYR A 51 18.422 -19.345 11.601 1.00 61.24 C ATOM 754 O TYR A 51 17.445 -18.807 11.080 1.00 51.33 O ATOM 755 CB TYR A 51 20.826 -19.596 10.955 1.00 73.04 C ATOM 756 CG TYR A 51 21.819 -20.629 11.435 1.00 24.33 C ATOM 757 CD1 TYR A 51 21.642 -21.280 12.650 1.00 64.22 C ATOM 758 CD2 TYR A 51 22.935 -20.955 10.674 1.00 62.31 C ATOM 759 CE1 TYR A 51 22.548 -22.224 13.093 1.00 22.21 C ATOM 760 CE2 TYR A 51 23.846 -21.899 11.109 1.00 74.14 C ATOM 761 CZ TYR A 51 23.648 -22.530 12.319 1.00 70.41 C ATOM 762 OH TYR A 51 24.552 -23.471 12.756 1.00 31.32 O ATOM 0 H TYR A 51 18.132 -19.706 9.163 1.00 53.31 H new ATOM 0 HA TYR A 51 19.385 -21.185 11.098 1.00 63.34 H new ATOM 0 HB2 TYR A 51 21.176 -19.180 10.010 1.00 73.04 H new ATOM 0 HB3 TYR A 51 20.793 -18.776 11.672 1.00 73.04 H new ATOM 0 HD1 TYR A 51 20.781 -21.044 13.258 1.00 64.22 H new ATOM 0 HD2 TYR A 51 23.093 -20.462 9.726 1.00 62.31 H new ATOM 0 HE1 TYR A 51 22.396 -22.720 14.040 1.00 22.21 H new ATOM 0 HE2 TYR A 51 24.708 -22.141 10.505 1.00 74.14 H new ATOM 0 HH TYR A 51 25.268 -23.570 12.094 1.00 31.32 H new ATOM 772 N ILE A 52 18.683 -19.269 12.901 1.00 21.22 N ATOM 773 CA ILE A 52 17.817 -18.531 13.812 1.00 51.13 C ATOM 774 C ILE A 52 17.632 -17.090 13.348 1.00 61.13 C ATOM 775 O ILE A 52 18.395 -16.591 12.522 1.00 4.54 O ATOM 776 CB ILE A 52 18.379 -18.528 15.246 1.00 70.44 C ATOM 777 CG1 ILE A 52 17.274 -18.193 16.249 1.00 31.14 C ATOM 778 CG2 ILE A 52 19.527 -17.537 15.363 1.00 61.13 C ATOM 779 CD1 ILE A 52 17.648 -18.495 17.684 1.00 44.25 C ATOM 0 H ILE A 52 19.487 -19.709 13.348 1.00 21.22 H new ATOM 0 HA ILE A 52 16.852 -19.038 13.810 1.00 51.13 H new ATOM 0 HB ILE A 52 18.760 -19.524 15.473 1.00 70.44 H new ATOM 0 HG12 ILE A 52 17.024 -17.136 16.162 1.00 31.14 H new ATOM 0 HG13 ILE A 52 16.377 -18.755 15.990 1.00 31.14 H new ATOM 0 HG21 ILE A 52 19.913 -17.547 16.382 1.00 61.13 H new ATOM 0 HG22 ILE A 52 20.321 -17.817 14.671 1.00 61.13 H new ATOM 0 HG23 ILE A 52 19.170 -16.536 15.120 1.00 61.13 H new ATOM 0 HD11 ILE A 52 16.817 -18.233 18.339 1.00 44.25 H new ATOM 0 HD12 ILE A 52 17.870 -19.557 17.786 1.00 44.25 H new ATOM 0 HD13 ILE A 52 18.527 -17.913 17.961 1.00 44.25 H new ATOM 791 N ASN A 53 16.614 -16.427 13.886 1.00 53.12 N ATOM 792 CA ASN A 53 16.329 -15.042 13.528 1.00 71.12 C ATOM 793 C ASN A 53 17.310 -14.092 14.207 1.00 45.21 C ATOM 794 O ASN A 53 16.908 -13.170 14.917 1.00 51.12 O ATOM 795 CB ASN A 53 14.895 -14.677 13.918 1.00 23.02 C ATOM 796 CG ASN A 53 13.882 -15.679 13.400 1.00 30.43 C ATOM 797 OD1 ASN A 53 13.714 -16.759 13.968 1.00 41.20 O ATOM 798 ND2 ASN A 53 13.201 -15.326 12.317 1.00 52.33 N ATOM 0 H ASN A 53 15.973 -16.826 14.571 1.00 53.12 H new ATOM 0 HA ASN A 53 16.441 -14.941 12.448 1.00 71.12 H new ATOM 0 HB2 ASN A 53 14.821 -14.618 15.004 1.00 23.02 H new ATOM 0 HB3 ASN A 53 14.656 -13.688 13.528 1.00 23.02 H new ATOM 0 HD21 ASN A 53 12.506 -15.960 11.923 1.00 52.33 H new ATOM 0 HD22 ASN A 53 13.373 -14.421 11.879 1.00 52.33 H new ATOM 805 N TYR A 54 18.599 -14.323 13.984 1.00 44.35 N ATOM 806 CA TYR A 54 19.639 -13.489 14.575 1.00 50.20 C ATOM 807 C TYR A 54 20.902 -13.504 13.719 1.00 11.22 C ATOM 808 O TYR A 54 21.579 -12.487 13.573 1.00 31.03 O ATOM 809 CB TYR A 54 19.963 -13.969 15.991 1.00 41.33 C ATOM 810 CG TYR A 54 18.806 -13.835 16.955 1.00 61.40 C ATOM 811 CD1 TYR A 54 18.422 -12.593 17.443 1.00 41.41 C ATOM 812 CD2 TYR A 54 18.096 -14.953 17.377 1.00 2.23 C ATOM 813 CE1 TYR A 54 17.366 -12.467 18.325 1.00 42.54 C ATOM 814 CE2 TYR A 54 17.038 -14.836 18.258 1.00 71.04 C ATOM 815 CZ TYR A 54 16.677 -13.591 18.729 1.00 42.12 C ATOM 816 OH TYR A 54 15.624 -13.469 19.606 1.00 72.31 O ATOM 0 H TYR A 54 18.949 -15.081 13.398 1.00 44.35 H new ATOM 0 HA TYR A 54 19.266 -12.466 14.622 1.00 50.20 H new ATOM 0 HB2 TYR A 54 20.272 -15.014 15.950 1.00 41.33 H new ATOM 0 HB3 TYR A 54 20.811 -13.401 16.373 1.00 41.33 H new ATOM 0 HD1 TYR A 54 18.958 -11.710 17.128 1.00 41.41 H new ATOM 0 HD2 TYR A 54 18.376 -15.929 17.010 1.00 2.23 H new ATOM 0 HE1 TYR A 54 17.082 -11.493 18.696 1.00 42.54 H new ATOM 0 HE2 TYR A 54 16.497 -15.715 18.576 1.00 71.04 H new ATOM 0 HH TYR A 54 15.246 -14.355 19.788 1.00 72.31 H new ATOM 826 N GLY A 55 21.212 -14.667 13.154 1.00 4.21 N ATOM 827 CA GLY A 55 22.393 -14.794 12.319 1.00 35.12 C ATOM 828 C GLY A 55 22.195 -15.778 11.183 1.00 44.10 C ATOM 829 O GLY A 55 21.106 -15.876 10.619 1.00 4.31 O ATOM 0 H GLY A 55 20.667 -15.523 13.259 1.00 4.21 H new ATOM 0 HA2 GLY A 55 22.652 -13.818 11.909 1.00 35.12 H new ATOM 0 HA3 GLY A 55 23.235 -15.116 12.932 1.00 35.12 H new ATOM 833 N GLY A 56 23.253 -16.509 10.844 1.00 4.34 N ATOM 834 CA GLY A 56 23.171 -17.479 9.768 1.00 3.22 C ATOM 835 C GLY A 56 23.925 -17.036 8.530 1.00 54.13 C ATOM 836 O GLY A 56 24.660 -16.049 8.562 1.00 53.11 O ATOM 0 H GLY A 56 24.165 -16.446 11.296 1.00 4.34 H new ATOM 0 HA2 GLY A 56 23.571 -18.433 10.112 1.00 3.22 H new ATOM 0 HA3 GLY A 56 22.125 -17.646 9.512 1.00 3.22 H new ATOM 840 N ARG A 57 23.743 -17.768 7.435 1.00 3.04 N ATOM 841 CA ARG A 57 24.414 -17.447 6.181 1.00 1.44 C ATOM 842 C ARG A 57 23.645 -16.377 5.412 1.00 10.41 C ATOM 843 O ARG A 57 22.598 -16.651 4.826 1.00 71.25 O ATOM 844 CB ARG A 57 24.561 -18.703 5.320 1.00 12.44 C ATOM 845 CG ARG A 57 24.990 -18.414 3.891 1.00 32.41 C ATOM 846 CD ARG A 57 23.874 -18.717 2.903 1.00 43.01 C ATOM 847 NE ARG A 57 23.732 -20.150 2.660 1.00 63.03 N ATOM 848 CZ ARG A 57 24.621 -20.873 1.987 1.00 52.21 C ATOM 849 NH1 ARG A 57 25.710 -20.299 1.494 1.00 73.55 N ATOM 850 NH2 ARG A 57 24.421 -22.172 1.807 1.00 22.30 N ATOM 0 H ARG A 57 23.137 -18.587 7.391 1.00 3.04 H new ATOM 0 HA ARG A 57 25.405 -17.059 6.417 1.00 1.44 H new ATOM 0 HB2 ARG A 57 25.291 -19.367 5.783 1.00 12.44 H new ATOM 0 HB3 ARG A 57 23.610 -19.236 5.304 1.00 12.44 H new ATOM 0 HG2 ARG A 57 25.282 -17.368 3.802 1.00 32.41 H new ATOM 0 HG3 ARG A 57 25.868 -19.012 3.645 1.00 32.41 H new ATOM 0 HD2 ARG A 57 22.934 -18.319 3.285 1.00 43.01 H new ATOM 0 HD3 ARG A 57 24.076 -18.208 1.961 1.00 43.01 H new ATOM 0 HE ARG A 57 22.905 -20.622 3.027 1.00 63.03 H new ATOM 0 HH11 ARG A 57 25.867 -19.300 1.631 1.00 73.55 H new ATOM 0 HH12 ARG A 57 26.391 -20.856 0.978 1.00 73.55 H new ATOM 0 HH21 ARG A 57 23.584 -22.616 2.185 1.00 22.30 H new ATOM 0 HH22 ARG A 57 25.104 -22.726 1.290 1.00 22.30 H new ATOM 864 N TYR A 58 24.171 -15.157 5.420 1.00 41.03 N ATOM 865 CA TYR A 58 23.533 -14.045 4.725 1.00 11.15 C ATOM 866 C TYR A 58 23.804 -14.112 3.226 1.00 52.55 C ATOM 867 O TYR A 58 24.914 -13.835 2.771 1.00 21.14 O ATOM 868 CB TYR A 58 24.032 -12.712 5.286 1.00 31.24 C ATOM 869 CG TYR A 58 23.692 -11.524 4.416 1.00 14.52 C ATOM 870 CD1 TYR A 58 22.442 -11.408 3.821 1.00 73.43 C ATOM 871 CD2 TYR A 58 24.620 -10.515 4.190 1.00 2.23 C ATOM 872 CE1 TYR A 58 22.127 -10.324 3.024 1.00 30.43 C ATOM 873 CE2 TYR A 58 24.314 -9.426 3.397 1.00 72.45 C ATOM 874 CZ TYR A 58 23.066 -9.336 2.815 1.00 21.14 C ATOM 875 OH TYR A 58 22.756 -8.254 2.024 1.00 40.01 O ATOM 0 H TYR A 58 25.037 -14.913 5.900 1.00 41.03 H new ATOM 0 HA TYR A 58 22.457 -14.119 4.885 1.00 11.15 H new ATOM 0 HB2 TYR A 58 23.603 -12.561 6.277 1.00 31.24 H new ATOM 0 HB3 TYR A 58 25.114 -12.762 5.411 1.00 31.24 H new ATOM 0 HD1 TYR A 58 21.703 -12.179 3.984 1.00 73.43 H new ATOM 0 HD2 TYR A 58 25.598 -10.583 4.642 1.00 2.23 H new ATOM 0 HE1 TYR A 58 21.151 -10.251 2.567 1.00 30.43 H new ATOM 0 HE2 TYR A 58 25.047 -8.650 3.234 1.00 72.45 H new ATOM 0 HH TYR A 58 22.736 -8.531 1.084 1.00 40.01 H new ATOM 885 N TRP A 59 22.781 -14.479 2.462 1.00 22.54 N ATOM 886 CA TRP A 59 22.907 -14.582 1.013 1.00 64.20 C ATOM 887 C TRP A 59 21.678 -14.008 0.317 1.00 2.14 C ATOM 888 O TRP A 59 20.600 -14.601 0.353 1.00 12.21 O ATOM 889 CB TRP A 59 23.107 -16.041 0.600 1.00 23.30 C ATOM 890 CG TRP A 59 22.618 -16.339 -0.785 1.00 12.00 C ATOM 891 CD1 TRP A 59 23.178 -15.924 -1.959 1.00 41.32 C ATOM 892 CD2 TRP A 59 21.468 -17.115 -1.139 1.00 54.51 C ATOM 893 NE1 TRP A 59 22.445 -16.394 -3.022 1.00 63.40 N ATOM 894 CE2 TRP A 59 21.391 -17.128 -2.546 1.00 25.44 C ATOM 895 CE3 TRP A 59 20.496 -17.800 -0.405 1.00 70.33 C ATOM 896 CZ2 TRP A 59 20.382 -17.800 -3.229 1.00 54.05 C ATOM 897 CZ3 TRP A 59 19.494 -18.466 -1.086 1.00 22.15 C ATOM 898 CH2 TRP A 59 19.443 -18.463 -2.486 1.00 5.11 C ATOM 0 H TRP A 59 21.855 -14.710 2.822 1.00 22.54 H new ATOM 0 HA TRP A 59 23.778 -14.002 0.707 1.00 64.20 H new ATOM 0 HB2 TRP A 59 24.167 -16.287 0.664 1.00 23.30 H new ATOM 0 HB3 TRP A 59 22.587 -16.686 1.308 1.00 23.30 H new ATOM 0 HD1 TRP A 59 24.067 -15.316 -2.040 1.00 41.32 H new ATOM 0 HE1 TRP A 59 22.652 -16.224 -4.006 1.00 63.40 H new ATOM 0 HE3 TRP A 59 20.527 -17.809 0.675 1.00 70.33 H new ATOM 0 HZ2 TRP A 59 20.341 -17.798 -4.308 1.00 54.05 H new ATOM 0 HZ3 TRP A 59 18.737 -18.998 -0.529 1.00 22.15 H new ATOM 0 HH2 TRP A 59 18.648 -18.994 -2.988 1.00 5.11 H new ATOM 909 N ASP A 60 21.847 -12.852 -0.314 1.00 45.25 N ATOM 910 CA ASP A 60 20.751 -12.198 -1.020 1.00 21.22 C ATOM 911 C ASP A 60 20.734 -12.602 -2.491 1.00 32.02 C ATOM 912 O ASP A 60 21.774 -12.630 -3.150 1.00 71.51 O ATOM 913 CB ASP A 60 20.871 -10.678 -0.897 1.00 22.43 C ATOM 914 CG ASP A 60 22.277 -10.184 -1.174 1.00 25.50 C ATOM 915 OD1 ASP A 60 22.737 -10.320 -2.327 1.00 53.42 O ATOM 916 OD2 ASP A 60 22.919 -9.664 -0.238 1.00 2.45 O ATOM 0 H ASP A 60 22.733 -12.348 -0.351 1.00 45.25 H new ATOM 0 HA ASP A 60 19.815 -12.519 -0.563 1.00 21.22 H new ATOM 0 HB2 ASP A 60 20.179 -10.204 -1.593 1.00 22.43 H new ATOM 0 HB3 ASP A 60 20.573 -10.373 0.106 1.00 22.43 H new ATOM 921 N LEU A 61 19.547 -12.915 -2.999 1.00 41.31 N ATOM 922 CA LEU A 61 19.394 -13.318 -4.393 1.00 31.44 C ATOM 923 C LEU A 61 18.915 -12.150 -5.248 1.00 71.25 C ATOM 924 O LEU A 61 18.070 -11.363 -4.825 1.00 54.12 O ATOM 925 CB LEU A 61 18.408 -14.483 -4.501 1.00 61.03 C ATOM 926 CG LEU A 61 16.925 -14.114 -4.449 1.00 61.23 C ATOM 927 CD1 LEU A 61 16.335 -14.075 -5.851 1.00 22.55 C ATOM 928 CD2 LEU A 61 16.161 -15.097 -3.574 1.00 64.31 C ATOM 0 H LEU A 61 18.677 -12.898 -2.467 1.00 41.31 H new ATOM 0 HA LEU A 61 20.368 -13.638 -4.763 1.00 31.44 H new ATOM 0 HB2 LEU A 61 18.599 -15.008 -5.437 1.00 61.03 H new ATOM 0 HB3 LEU A 61 18.616 -15.185 -3.693 1.00 61.03 H new ATOM 0 HG LEU A 61 16.833 -13.120 -4.010 1.00 61.23 H new ATOM 0 HD11 LEU A 61 15.279 -13.811 -5.794 1.00 22.55 H new ATOM 0 HD12 LEU A 61 16.864 -13.331 -6.448 1.00 22.55 H new ATOM 0 HD13 LEU A 61 16.439 -15.055 -6.317 1.00 22.55 H new ATOM 0 HD21 LEU A 61 15.107 -14.819 -3.549 1.00 64.31 H new ATOM 0 HD22 LEU A 61 16.261 -16.102 -3.983 1.00 64.31 H new ATOM 0 HD23 LEU A 61 16.566 -15.075 -2.562 1.00 64.31 H new ATOM 940 N GLY A 62 19.460 -12.045 -6.457 1.00 22.53 N ATOM 941 CA GLY A 62 19.075 -10.972 -7.354 1.00 33.00 C ATOM 942 C GLY A 62 18.218 -11.459 -8.506 1.00 15.44 C ATOM 943 O GLY A 62 17.598 -12.520 -8.441 1.00 34.43 O ATOM 0 H GLY A 62 20.161 -12.685 -6.830 1.00 22.53 H new ATOM 0 HA2 GLY A 62 18.529 -10.213 -6.794 1.00 33.00 H new ATOM 0 HA3 GLY A 62 19.971 -10.493 -7.749 1.00 33.00 H new ATOM 947 N PRO A 63 18.173 -10.670 -9.590 1.00 22.13 N ATOM 948 CA PRO A 63 17.388 -11.006 -10.781 1.00 54.20 C ATOM 949 C PRO A 63 17.878 -12.281 -11.459 1.00 1.33 C ATOM 950 O PRO A 63 18.715 -12.234 -12.359 1.00 60.11 O ATOM 951 CB PRO A 63 17.599 -9.798 -11.697 1.00 40.12 C ATOM 952 CG PRO A 63 18.854 -9.164 -11.205 1.00 12.35 C ATOM 953 CD PRO A 63 18.887 -9.391 -9.736 1.00 51.53 C ATOM 0 HA PRO A 63 16.343 -11.198 -10.539 1.00 54.20 H new ATOM 0 HB2 PRO A 63 17.692 -10.103 -12.739 1.00 40.12 H new ATOM 0 HB3 PRO A 63 16.758 -9.107 -11.641 1.00 40.12 H new ATOM 0 HG2 PRO A 63 19.727 -9.605 -11.686 1.00 12.35 H new ATOM 0 HG3 PRO A 63 18.867 -8.098 -11.434 1.00 12.35 H new ATOM 0 HD2 PRO A 63 19.908 -9.452 -9.359 1.00 51.53 H new ATOM 0 HD3 PRO A 63 18.393 -8.587 -9.191 1.00 51.53 H new ATOM 961 N GLY A 64 17.351 -13.420 -11.020 1.00 13.44 N ATOM 962 CA GLY A 64 17.747 -14.691 -11.596 1.00 21.35 C ATOM 963 C GLY A 64 16.951 -15.854 -11.038 1.00 15.15 C ATOM 964 O GLY A 64 16.348 -15.746 -9.970 1.00 52.53 O ATOM 0 H GLY A 64 16.657 -13.485 -10.276 1.00 13.44 H new ATOM 0 HA2 GLY A 64 17.618 -14.652 -12.678 1.00 21.35 H new ATOM 0 HA3 GLY A 64 18.808 -14.857 -11.407 1.00 21.35 H new ATOM 968 N GLU A 65 16.947 -16.969 -11.762 1.00 55.40 N ATOM 969 CA GLU A 65 16.215 -18.155 -11.333 1.00 42.02 C ATOM 970 C GLU A 65 17.164 -19.331 -11.118 1.00 10.42 C ATOM 971 O GLU A 65 18.052 -19.583 -11.932 1.00 43.32 O ATOM 972 CB GLU A 65 15.151 -18.527 -12.368 1.00 21.12 C ATOM 973 CG GLU A 65 14.459 -19.849 -12.081 1.00 11.24 C ATOM 974 CD GLU A 65 14.744 -20.898 -13.137 1.00 61.42 C ATOM 975 OE1 GLU A 65 13.991 -20.958 -14.132 1.00 1.21 O ATOM 976 OE2 GLU A 65 15.719 -21.660 -12.970 1.00 22.02 O ATOM 0 H GLU A 65 17.442 -17.076 -12.647 1.00 55.40 H new ATOM 0 HA GLU A 65 15.726 -17.926 -10.386 1.00 42.02 H new ATOM 0 HB2 GLU A 65 14.402 -17.736 -12.408 1.00 21.12 H new ATOM 0 HB3 GLU A 65 15.616 -18.576 -13.353 1.00 21.12 H new ATOM 0 HG2 GLU A 65 14.783 -20.221 -11.109 1.00 11.24 H new ATOM 0 HG3 GLU A 65 13.383 -19.685 -12.018 1.00 11.24 H new ATOM 983 N TYR A 66 16.969 -20.046 -10.016 1.00 2.24 N ATOM 984 CA TYR A 66 17.809 -21.193 -9.691 1.00 14.14 C ATOM 985 C TYR A 66 16.988 -22.300 -9.035 1.00 44.11 C ATOM 986 O TYR A 66 15.901 -22.056 -8.513 1.00 53.21 O ATOM 987 CB TYR A 66 18.949 -20.770 -8.763 1.00 20.51 C ATOM 988 CG TYR A 66 18.590 -20.831 -7.295 1.00 71.14 C ATOM 989 CD1 TYR A 66 18.758 -22.002 -6.567 1.00 24.32 C ATOM 990 CD2 TYR A 66 18.081 -19.718 -6.638 1.00 24.04 C ATOM 991 CE1 TYR A 66 18.431 -22.063 -5.226 1.00 40.20 C ATOM 992 CE2 TYR A 66 17.753 -19.769 -5.297 1.00 12.11 C ATOM 993 CZ TYR A 66 17.929 -20.943 -4.595 1.00 61.45 C ATOM 994 OH TYR A 66 17.602 -20.999 -3.260 1.00 54.41 O ATOM 0 H TYR A 66 16.237 -19.852 -9.333 1.00 2.24 H new ATOM 0 HA TYR A 66 18.230 -21.579 -10.620 1.00 14.14 H new ATOM 0 HB2 TYR A 66 19.811 -21.412 -8.944 1.00 20.51 H new ATOM 0 HB3 TYR A 66 19.251 -19.753 -9.013 1.00 20.51 H new ATOM 0 HD1 TYR A 66 19.151 -22.880 -7.058 1.00 24.32 H new ATOM 0 HD2 TYR A 66 17.939 -18.797 -7.185 1.00 24.04 H new ATOM 0 HE1 TYR A 66 18.567 -22.982 -4.675 1.00 40.20 H new ATOM 0 HE2 TYR A 66 17.361 -18.894 -4.801 1.00 12.11 H new ATOM 0 HH TYR A 66 18.179 -21.650 -2.809 1.00 54.41 H new ATOM 1004 N SER A 67 17.519 -23.518 -9.066 1.00 61.13 N ATOM 1005 CA SER A 67 16.836 -24.665 -8.478 1.00 42.45 C ATOM 1006 C SER A 67 17.830 -25.592 -7.784 1.00 54.55 C ATOM 1007 O SER A 67 18.202 -26.634 -8.322 1.00 23.30 O ATOM 1008 CB SER A 67 16.069 -25.435 -9.555 1.00 11.11 C ATOM 1009 OG SER A 67 16.954 -26.000 -10.506 1.00 41.14 O ATOM 0 H SER A 67 18.420 -23.736 -9.492 1.00 61.13 H new ATOM 0 HA SER A 67 16.131 -24.295 -7.734 1.00 42.45 H new ATOM 0 HB2 SER A 67 15.477 -26.224 -9.091 1.00 11.11 H new ATOM 0 HB3 SER A 67 15.370 -24.766 -10.057 1.00 11.11 H new ATOM 0 HG SER A 67 17.637 -26.528 -10.043 1.00 41.14 H new ATOM 1015 N SER A 68 18.255 -25.203 -6.587 1.00 14.24 N ATOM 1016 CA SER A 68 19.208 -25.996 -5.819 1.00 51.23 C ATOM 1017 C SER A 68 18.486 -27.022 -4.951 1.00 63.23 C ATOM 1018 O SER A 68 17.366 -26.790 -4.497 1.00 72.40 O ATOM 1019 CB SER A 68 20.071 -25.086 -4.943 1.00 21.44 C ATOM 1020 OG SER A 68 20.625 -24.024 -5.700 1.00 33.14 O ATOM 0 H SER A 68 17.955 -24.343 -6.127 1.00 14.24 H new ATOM 0 HA SER A 68 19.850 -26.528 -6.521 1.00 51.23 H new ATOM 0 HB2 SER A 68 19.469 -24.681 -4.130 1.00 21.44 H new ATOM 0 HB3 SER A 68 20.872 -25.668 -4.487 1.00 21.44 H new ATOM 0 HG SER A 68 20.172 -23.186 -5.469 1.00 33.14 H new ATOM 1026 N VAL A 69 19.137 -28.159 -4.725 1.00 4.10 N ATOM 1027 CA VAL A 69 18.560 -29.222 -3.911 1.00 11.31 C ATOM 1028 C VAL A 69 19.647 -30.033 -3.214 1.00 51.35 C ATOM 1029 O VAL A 69 19.437 -31.191 -2.857 1.00 32.22 O ATOM 1030 CB VAL A 69 17.691 -30.170 -4.759 1.00 45.53 C ATOM 1031 CG1 VAL A 69 16.531 -29.413 -5.387 1.00 10.52 C ATOM 1032 CG2 VAL A 69 18.534 -30.851 -5.827 1.00 50.10 C ATOM 0 H VAL A 69 20.065 -28.367 -5.094 1.00 4.10 H new ATOM 0 HA VAL A 69 17.933 -28.741 -3.161 1.00 11.31 H new ATOM 0 HB VAL A 69 17.280 -30.940 -4.106 1.00 45.53 H new ATOM 0 HG11 VAL A 69 15.928 -30.099 -5.982 1.00 10.52 H new ATOM 0 HG12 VAL A 69 15.914 -28.976 -4.602 1.00 10.52 H new ATOM 0 HG13 VAL A 69 16.918 -28.621 -6.028 1.00 10.52 H new ATOM 0 HG21 VAL A 69 17.905 -31.517 -6.417 1.00 50.10 H new ATOM 0 HG22 VAL A 69 18.975 -30.096 -6.479 1.00 50.10 H new ATOM 0 HG23 VAL A 69 19.327 -31.428 -5.351 1.00 50.10 H new ATOM 1042 N GLU A 70 20.809 -29.415 -3.025 1.00 72.22 N ATOM 1043 CA GLU A 70 21.929 -30.081 -2.371 1.00 63.03 C ATOM 1044 C GLU A 70 23.132 -29.148 -2.270 1.00 5.14 C ATOM 1045 O GLU A 70 24.279 -29.580 -2.392 1.00 54.13 O ATOM 1046 CB GLU A 70 22.316 -31.348 -3.137 1.00 51.02 C ATOM 1047 CG GLU A 70 22.454 -31.135 -4.635 1.00 63.23 C ATOM 1048 CD GLU A 70 22.868 -32.397 -5.368 1.00 2.31 C ATOM 1049 OE1 GLU A 70 23.673 -33.170 -4.808 1.00 21.22 O ATOM 1050 OE2 GLU A 70 22.388 -32.610 -6.501 1.00 21.34 O ATOM 0 H GLU A 70 20.999 -28.456 -3.315 1.00 72.22 H new ATOM 0 HA GLU A 70 21.617 -30.355 -1.363 1.00 63.03 H new ATOM 0 HB2 GLU A 70 23.260 -31.726 -2.744 1.00 51.02 H new ATOM 0 HB3 GLU A 70 21.564 -32.116 -2.955 1.00 51.02 H new ATOM 0 HG2 GLU A 70 21.505 -30.781 -5.037 1.00 63.23 H new ATOM 0 HG3 GLU A 70 23.190 -30.353 -4.821 1.00 63.23 H new ATOM 1057 N SER A 71 22.862 -27.866 -2.045 1.00 44.01 N ATOM 1058 CA SER A 71 23.922 -26.870 -1.931 1.00 75.22 C ATOM 1059 C SER A 71 23.401 -25.596 -1.272 1.00 60.43 C ATOM 1060 O SER A 71 24.058 -25.020 -0.406 1.00 51.53 O ATOM 1061 CB SER A 71 24.496 -26.546 -3.312 1.00 1.25 C ATOM 1062 OG SER A 71 25.887 -26.287 -3.237 1.00 24.21 O ATOM 0 H SER A 71 21.919 -27.492 -1.938 1.00 44.01 H new ATOM 0 HA SER A 71 24.712 -27.285 -1.305 1.00 75.22 H new ATOM 0 HB2 SER A 71 24.314 -27.380 -3.990 1.00 1.25 H new ATOM 0 HB3 SER A 71 23.983 -25.679 -3.728 1.00 1.25 H new ATOM 0 HG SER A 71 26.231 -26.084 -4.132 1.00 24.21 H new ATOM 1068 N ALA A 72 22.216 -25.164 -1.690 1.00 12.42 N ATOM 1069 CA ALA A 72 21.605 -23.960 -1.140 1.00 1.22 C ATOM 1070 C ALA A 72 21.572 -24.008 0.384 1.00 34.20 C ATOM 1071 O ALA A 72 21.862 -23.017 1.053 1.00 71.32 O ATOM 1072 CB ALA A 72 20.200 -23.780 -1.695 1.00 50.00 C ATOM 0 H ALA A 72 21.660 -25.629 -2.407 1.00 12.42 H new ATOM 0 HA ALA A 72 22.213 -23.106 -1.437 1.00 1.22 H new ATOM 0 HB1 ALA A 72 19.756 -22.877 -1.276 1.00 50.00 H new ATOM 0 HB2 ALA A 72 20.246 -23.691 -2.780 1.00 50.00 H new ATOM 0 HB3 ALA A 72 19.590 -24.643 -1.427 1.00 50.00 H new ATOM 1078 N GLY A 73 21.215 -25.168 0.927 1.00 33.32 N ATOM 1079 CA GLY A 73 21.149 -25.324 2.369 1.00 41.55 C ATOM 1080 C GLY A 73 20.429 -26.592 2.783 1.00 43.51 C ATOM 1081 O GLY A 73 19.207 -26.599 2.933 1.00 40.55 O ATOM 0 H GLY A 73 20.970 -26.003 0.394 1.00 33.32 H new ATOM 0 HA2 GLY A 73 22.160 -25.334 2.777 1.00 41.55 H new ATOM 0 HA3 GLY A 73 20.640 -24.463 2.802 1.00 41.55 H new ATOM 1085 N ILE A 74 21.187 -27.667 2.967 1.00 24.02 N ATOM 1086 CA ILE A 74 20.614 -28.946 3.366 1.00 33.20 C ATOM 1087 C ILE A 74 21.381 -29.552 4.536 1.00 24.20 C ATOM 1088 O ILE A 74 22.070 -30.564 4.402 1.00 71.04 O ATOM 1089 CB ILE A 74 20.607 -29.949 2.197 1.00 15.10 C ATOM 1090 CG1 ILE A 74 20.145 -29.262 0.910 1.00 13.02 C ATOM 1091 CG2 ILE A 74 19.710 -31.135 2.522 1.00 44.31 C ATOM 1092 CD1 ILE A 74 18.734 -28.721 0.987 1.00 70.44 C ATOM 0 H ILE A 74 22.200 -27.678 2.846 1.00 24.02 H new ATOM 0 HA ILE A 74 19.586 -28.749 3.672 1.00 33.20 H new ATOM 0 HB ILE A 74 21.622 -30.316 2.047 1.00 15.10 H new ATOM 0 HG12 ILE A 74 20.827 -28.444 0.679 1.00 13.02 H new ATOM 0 HG13 ILE A 74 20.209 -29.972 0.086 1.00 13.02 H new ATOM 0 HG21 ILE A 74 19.715 -31.835 1.686 1.00 44.31 H new ATOM 0 HG22 ILE A 74 20.079 -31.636 3.417 1.00 44.31 H new ATOM 0 HG23 ILE A 74 18.692 -30.785 2.695 1.00 44.31 H new ATOM 0 HD11 ILE A 74 18.474 -28.248 0.040 1.00 70.44 H new ATOM 0 HD12 ILE A 74 18.041 -29.539 1.187 1.00 70.44 H new ATOM 0 HD13 ILE A 74 18.669 -27.986 1.790 1.00 70.44 H new ATOM 1104 N PRO A 75 21.261 -28.921 5.713 1.00 34.03 N ATOM 1105 CA PRO A 75 21.934 -29.382 6.931 1.00 1.52 C ATOM 1106 C PRO A 75 21.185 -30.522 7.612 1.00 62.33 C ATOM 1107 O PRO A 75 21.676 -31.649 7.675 1.00 64.41 O ATOM 1108 CB PRO A 75 21.941 -28.138 7.824 1.00 30.54 C ATOM 1109 CG PRO A 75 20.850 -27.279 7.286 1.00 52.01 C ATOM 1110 CD PRO A 75 20.457 -27.709 5.946 1.00 33.54 C ATOM 0 HA PRO A 75 22.927 -29.780 6.722 1.00 1.52 H new ATOM 0 HB2 PRO A 75 21.762 -28.399 8.867 1.00 30.54 H new ATOM 0 HB3 PRO A 75 22.903 -27.627 7.784 1.00 30.54 H new ATOM 0 HG2 PRO A 75 19.988 -27.320 7.952 1.00 52.01 H new ATOM 0 HG3 PRO A 75 21.181 -26.241 7.256 1.00 52.01 H new ATOM 0 HD2 PRO A 75 19.389 -27.921 5.892 1.00 33.54 H new ATOM 0 HD3 PRO A 75 20.668 -26.941 5.202 1.00 33.54 H new ATOM 1118 N ASP A 76 19.995 -30.223 8.119 1.00 14.40 N ATOM 1119 CA ASP A 76 19.177 -31.224 8.794 1.00 50.12 C ATOM 1120 C ASP A 76 17.864 -30.617 9.277 1.00 35.03 C ATOM 1121 O ASP A 76 16.805 -30.867 8.704 1.00 74.45 O ATOM 1122 CB ASP A 76 19.941 -31.825 9.975 1.00 75.33 C ATOM 1123 CG ASP A 76 20.481 -33.209 9.671 1.00 41.34 C ATOM 1124 OD1 ASP A 76 19.666 -34.133 9.465 1.00 1.34 O ATOM 1125 OD2 ASP A 76 21.719 -33.367 9.637 1.00 61.21 O ATOM 0 H ASP A 76 19.574 -29.295 8.076 1.00 14.40 H new ATOM 0 HA ASP A 76 18.949 -32.014 8.079 1.00 50.12 H new ATOM 0 HB2 ASP A 76 20.767 -31.166 10.242 1.00 75.33 H new ATOM 0 HB3 ASP A 76 19.282 -31.878 10.842 1.00 75.33 H new ATOM 1130 N ASN A 77 17.941 -29.819 10.337 1.00 1.22 N ATOM 1131 CA ASN A 77 16.758 -29.177 10.899 1.00 30.41 C ATOM 1132 C ASN A 77 16.172 -28.164 9.920 1.00 32.35 C ATOM 1133 O ASN A 77 16.572 -28.105 8.758 1.00 62.40 O ATOM 1134 CB ASN A 77 17.106 -28.486 12.219 1.00 35.11 C ATOM 1135 CG ASN A 77 16.073 -28.748 13.298 1.00 30.24 C ATOM 1136 OD1 ASN A 77 15.958 -29.864 13.805 1.00 21.22 O ATOM 1137 ND2 ASN A 77 15.315 -27.718 13.655 1.00 43.52 N ATOM 0 H ASN A 77 18.810 -29.601 10.824 1.00 1.22 H new ATOM 0 HA ASN A 77 16.011 -29.948 11.086 1.00 30.41 H new ATOM 0 HB2 ASN A 77 18.081 -28.832 12.561 1.00 35.11 H new ATOM 0 HB3 ASN A 77 17.190 -27.412 12.053 1.00 35.11 H new ATOM 0 HD21 ASN A 77 14.603 -27.834 14.376 1.00 43.52 H new ATOM 0 HD22 ASN A 77 15.445 -26.810 13.208 1.00 43.52 H new ATOM 1144 N SER A 78 15.221 -27.368 10.400 1.00 64.22 N ATOM 1145 CA SER A 78 14.577 -26.359 9.567 1.00 64.31 C ATOM 1146 C SER A 78 14.333 -25.078 10.358 1.00 55.34 C ATOM 1147 O SER A 78 13.489 -25.040 11.254 1.00 61.30 O ATOM 1148 CB SER A 78 13.254 -26.892 9.015 1.00 71.31 C ATOM 1149 OG SER A 78 12.280 -25.865 8.945 1.00 61.23 O ATOM 0 H SER A 78 14.880 -27.402 11.361 1.00 64.22 H new ATOM 0 HA SER A 78 15.243 -26.130 8.735 1.00 64.31 H new ATOM 0 HB2 SER A 78 13.414 -27.314 8.023 1.00 71.31 H new ATOM 0 HB3 SER A 78 12.890 -27.700 9.650 1.00 71.31 H new ATOM 0 HG SER A 78 11.717 -26.002 8.155 1.00 61.23 H new ATOM 1155 N ILE A 79 15.076 -24.030 10.019 1.00 51.13 N ATOM 1156 CA ILE A 79 14.939 -22.746 10.696 1.00 64.15 C ATOM 1157 C ILE A 79 15.343 -21.596 9.779 1.00 10.02 C ATOM 1158 O ILE A 79 15.696 -20.513 10.245 1.00 41.53 O ATOM 1159 CB ILE A 79 15.793 -22.691 11.976 1.00 23.31 C ATOM 1160 CG1 ILE A 79 17.214 -23.182 11.690 1.00 73.54 C ATOM 1161 CG2 ILE A 79 15.151 -23.523 13.077 1.00 44.33 C ATOM 1162 CD1 ILE A 79 18.214 -22.792 12.755 1.00 45.15 C ATOM 0 H ILE A 79 15.779 -24.045 9.280 1.00 51.13 H new ATOM 0 HA ILE A 79 13.888 -22.641 10.965 1.00 64.15 H new ATOM 0 HB ILE A 79 15.848 -21.656 12.314 1.00 23.31 H new ATOM 0 HG12 ILE A 79 17.202 -24.268 11.594 1.00 73.54 H new ATOM 0 HG13 ILE A 79 17.542 -22.781 10.731 1.00 73.54 H new ATOM 0 HG21 ILE A 79 15.766 -23.474 13.975 1.00 44.33 H new ATOM 0 HG22 ILE A 79 14.157 -23.132 13.296 1.00 44.33 H new ATOM 0 HG23 ILE A 79 15.069 -24.559 12.749 1.00 44.33 H new ATOM 0 HD11 ILE A 79 19.199 -23.173 12.486 1.00 45.15 H new ATOM 0 HD12 ILE A 79 18.255 -21.706 12.835 1.00 45.15 H new ATOM 0 HD13 ILE A 79 17.910 -23.215 13.712 1.00 45.15 H new ATOM 1174 N SER A 80 15.286 -21.839 8.474 1.00 43.24 N ATOM 1175 CA SER A 80 15.648 -20.824 7.491 1.00 53.11 C ATOM 1176 C SER A 80 14.505 -19.834 7.286 1.00 33.43 C ATOM 1177 O SER A 80 13.353 -20.123 7.612 1.00 23.12 O ATOM 1178 CB SER A 80 16.013 -21.481 6.159 1.00 61.15 C ATOM 1179 OG SER A 80 14.877 -21.598 5.319 1.00 22.44 O ATOM 0 H SER A 80 14.993 -22.730 8.072 1.00 43.24 H new ATOM 0 HA SER A 80 16.514 -20.280 7.869 1.00 53.11 H new ATOM 0 HB2 SER A 80 16.781 -20.892 5.658 1.00 61.15 H new ATOM 0 HB3 SER A 80 16.438 -22.468 6.341 1.00 61.15 H new ATOM 0 HG SER A 80 15.137 -22.019 4.473 1.00 22.44 H new ATOM 1185 N SER A 81 14.832 -18.666 6.744 1.00 11.21 N ATOM 1186 CA SER A 81 13.834 -17.631 6.499 1.00 44.21 C ATOM 1187 C SER A 81 14.384 -16.556 5.566 1.00 65.32 C ATOM 1188 O SER A 81 15.597 -16.374 5.457 1.00 2.42 O ATOM 1189 CB SER A 81 13.391 -16.997 7.819 1.00 33.50 C ATOM 1190 OG SER A 81 11.980 -16.879 7.879 1.00 51.21 O ATOM 0 H SER A 81 15.780 -18.412 6.466 1.00 11.21 H new ATOM 0 HA SER A 81 12.973 -18.098 6.021 1.00 44.21 H new ATOM 0 HB2 SER A 81 13.744 -17.602 8.654 1.00 33.50 H new ATOM 0 HB3 SER A 81 13.846 -16.012 7.924 1.00 33.50 H new ATOM 0 HG SER A 81 11.722 -16.473 8.733 1.00 51.21 H new ATOM 1196 N PHE A 82 13.483 -15.848 4.894 1.00 44.43 N ATOM 1197 CA PHE A 82 13.877 -14.791 3.968 1.00 31.35 C ATOM 1198 C PHE A 82 12.828 -13.684 3.930 1.00 41.33 C ATOM 1199 O PHE A 82 11.627 -13.952 3.921 1.00 14.13 O ATOM 1200 CB PHE A 82 14.082 -15.364 2.565 1.00 60.34 C ATOM 1201 CG PHE A 82 12.798 -15.618 1.827 1.00 23.33 C ATOM 1202 CD1 PHE A 82 11.842 -16.474 2.349 1.00 30.34 C ATOM 1203 CD2 PHE A 82 12.548 -15.001 0.613 1.00 53.33 C ATOM 1204 CE1 PHE A 82 10.660 -16.710 1.673 1.00 63.34 C ATOM 1205 CE2 PHE A 82 11.368 -15.233 -0.069 1.00 15.44 C ATOM 1206 CZ PHE A 82 10.422 -16.088 0.463 1.00 42.22 C ATOM 0 H PHE A 82 12.475 -15.986 4.973 1.00 44.43 H new ATOM 0 HA PHE A 82 14.817 -14.365 4.319 1.00 31.35 H new ATOM 0 HB2 PHE A 82 14.694 -14.673 1.985 1.00 60.34 H new ATOM 0 HB3 PHE A 82 14.639 -16.298 2.641 1.00 60.34 H new ATOM 0 HD1 PHE A 82 12.023 -16.963 3.295 1.00 30.34 H new ATOM 0 HD2 PHE A 82 13.284 -14.330 0.194 1.00 53.33 H new ATOM 0 HE1 PHE A 82 9.923 -17.380 2.090 1.00 63.34 H new ATOM 0 HE2 PHE A 82 11.186 -14.747 -1.016 1.00 15.44 H new ATOM 0 HZ PHE A 82 9.498 -16.270 -0.066 1.00 42.22 H new ATOM 1216 N ARG A 83 13.292 -12.438 3.907 1.00 70.40 N ATOM 1217 CA ARG A 83 12.395 -11.290 3.871 1.00 1.41 C ATOM 1218 C ARG A 83 12.154 -10.833 2.435 1.00 10.33 C ATOM 1219 O ARG A 83 13.092 -10.476 1.722 1.00 35.23 O ATOM 1220 CB ARG A 83 12.975 -10.137 4.694 1.00 75.43 C ATOM 1221 CG ARG A 83 13.013 -10.415 6.188 1.00 42.23 C ATOM 1222 CD ARG A 83 11.727 -9.975 6.869 1.00 10.14 C ATOM 1223 NE ARG A 83 11.967 -8.951 7.883 1.00 62.21 N ATOM 1224 CZ ARG A 83 11.041 -8.532 8.738 1.00 21.32 C ATOM 1225 NH1 ARG A 83 9.820 -9.047 8.703 1.00 52.14 N ATOM 1226 NH2 ARG A 83 11.336 -7.597 9.632 1.00 43.12 N ATOM 0 H ARG A 83 14.284 -12.199 3.913 1.00 70.40 H new ATOM 0 HA ARG A 83 11.441 -11.592 4.303 1.00 1.41 H new ATOM 0 HB2 ARG A 83 13.986 -9.926 4.346 1.00 75.43 H new ATOM 0 HB3 ARG A 83 12.383 -9.240 4.515 1.00 75.43 H new ATOM 0 HG2 ARG A 83 13.169 -11.480 6.357 1.00 42.23 H new ATOM 0 HG3 ARG A 83 13.859 -9.894 6.635 1.00 42.23 H new ATOM 0 HD2 ARG A 83 11.034 -9.589 6.121 1.00 10.14 H new ATOM 0 HD3 ARG A 83 11.248 -10.838 7.332 1.00 10.14 H new ATOM 0 HE ARG A 83 12.897 -8.535 7.937 1.00 62.21 H new ATOM 0 HH11 ARG A 83 9.590 -9.767 8.018 1.00 52.14 H new ATOM 0 HH12 ARG A 83 9.111 -8.723 9.361 1.00 52.14 H new ATOM 0 HH21 ARG A 83 12.275 -7.199 9.663 1.00 43.12 H new ATOM 0 HH22 ARG A 83 10.624 -7.276 10.288 1.00 43.12 H new ATOM 1240 N GLN A 84 10.892 -10.847 2.019 1.00 32.12 N ATOM 1241 CA GLN A 84 10.529 -10.435 0.668 1.00 35.54 C ATOM 1242 C GLN A 84 10.487 -8.915 0.555 1.00 34.14 C ATOM 1243 O GLN A 84 9.613 -8.264 1.129 1.00 33.52 O ATOM 1244 CB GLN A 84 9.171 -11.025 0.280 1.00 25.24 C ATOM 1245 CG GLN A 84 9.199 -12.531 0.075 1.00 71.21 C ATOM 1246 CD GLN A 84 7.867 -13.186 0.382 1.00 72.42 C ATOM 1247 OE1 GLN A 84 6.824 -12.765 -0.120 1.00 3.21 O ATOM 1248 NE2 GLN A 84 7.894 -14.224 1.210 1.00 70.21 N ATOM 0 H GLN A 84 10.104 -11.139 2.597 1.00 32.12 H new ATOM 0 HA GLN A 84 11.290 -10.811 -0.016 1.00 35.54 H new ATOM 0 HB2 GLN A 84 8.445 -10.786 1.057 1.00 25.24 H new ATOM 0 HB3 GLN A 84 8.825 -10.548 -0.637 1.00 25.24 H new ATOM 0 HG2 GLN A 84 9.477 -12.748 -0.956 1.00 71.21 H new ATOM 0 HG3 GLN A 84 9.969 -12.966 0.712 1.00 71.21 H new ATOM 0 HE21 GLN A 84 8.781 -14.540 1.603 1.00 70.21 H new ATOM 0 HE22 GLN A 84 7.028 -14.705 1.453 1.00 70.21 H new ATOM 1257 N ILE A 85 11.436 -8.356 -0.187 1.00 11.40 N ATOM 1258 CA ILE A 85 11.506 -6.912 -0.375 1.00 43.12 C ATOM 1259 C ILE A 85 11.622 -6.555 -1.853 1.00 65.33 C ATOM 1260 O ILE A 85 12.708 -6.607 -2.432 1.00 11.21 O ATOM 1261 CB ILE A 85 12.700 -6.303 0.384 1.00 50.23 C ATOM 1262 CG1 ILE A 85 13.910 -7.236 0.308 1.00 21.05 C ATOM 1263 CG2 ILE A 85 12.323 -6.031 1.832 1.00 4.53 C ATOM 1264 CD1 ILE A 85 15.236 -6.513 0.390 1.00 25.43 C ATOM 0 H ILE A 85 12.167 -8.880 -0.668 1.00 11.40 H new ATOM 0 HA ILE A 85 10.581 -6.496 0.025 1.00 43.12 H new ATOM 0 HB ILE A 85 12.966 -5.356 -0.086 1.00 50.23 H new ATOM 0 HG12 ILE A 85 13.850 -7.962 1.119 1.00 21.05 H new ATOM 0 HG13 ILE A 85 13.868 -7.797 -0.626 1.00 21.05 H new ATOM 0 HG21 ILE A 85 13.177 -5.601 2.356 1.00 4.53 H new ATOM 0 HG22 ILE A 85 11.487 -5.332 1.865 1.00 4.53 H new ATOM 0 HG23 ILE A 85 12.034 -6.965 2.314 1.00 4.53 H new ATOM 0 HD11 ILE A 85 16.049 -7.236 0.330 1.00 25.43 H new ATOM 0 HD12 ILE A 85 15.317 -5.807 -0.436 1.00 25.43 H new ATOM 0 HD13 ILE A 85 15.299 -5.974 1.336 1.00 25.43 H new TER 1276 ILE A 85