USER MOD reduce.3.24.130724 H: found=0, std=0, add=1272, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1272 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 99 MET CE :methyl 179:sc= -1.02 (180deg=-0.891) USER MOD Set 1.2: A 124 MET CE :methyl -143:sc= -1.21 (180deg=-4.1!) USER MOD Set 2.1: A 31 SER OG : rot -30:sc= 0.202 USER MOD Set 2.2: A 62 THR OG1 : rot 48:sc= 1.57 USER MOD Set 3.1: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 55 ASN : amide:sc= -4.15! C(o=-4.1!,f=-6!) USER MOD Set 4.1: A 38 SER OG : rot 17:sc= 1.54 USER MOD Set 4.2: A 40 TYR OH : rot -58:sc= 0.186 USER MOD Set 5.1: A 17 GLN : amide:sc= -2.63 K(o=-9.6,f=-12) USER MOD Set 5.2: A 80 GLN : amide:sc= -7! K(o=-9.6!,f=-2.7) USER MOD Set 6.1: A 10 ASN : amide:sc= -11.1! C(o=-17!,f=-13!) USER MOD Set 6.2: A 48 GLN : amide:sc= -6.04! C(o=-17!,f=-16!) USER MOD Single : A 1 THR N :NH3+ 147:sc= 0.0234 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 4 TYR OH : rot -15:sc= -0.925 USER MOD Single : A 9 SER OG : rot -120:sc= -1.69! USER MOD Single : A 13 SER OG : rot 25:sc= -0.0855 USER MOD Single : A 19 ASN : amide:sc= -2.66! K(o=-2.7!,f=-0.29) USER MOD Single : A 23 LYS NZ :NH3+ 134:sc= -3.58! (180deg=-6.23!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 35 THR OG1 : rot 178:sc= -0.0844 USER MOD Single : A 37 SER OG : rot 180:sc= 0.48 USER MOD Single : A 42 THR OG1 : rot -150:sc= -1.09 USER MOD Single : A 50 GLN : amide:sc= -2.64 K(o=-2.6,f=-5.5!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.4) USER MOD Single : A 72 HIS : no HD1:sc= -2.62! C(o=-2.6!,f=-4.1!) USER MOD Single : A 73 THR OG1 : rot -18:sc= 1.13 USER MOD Single : A 74 GLN : amide:sc= -0.882 X(o=-0.88,f=-0.48) USER MOD Single : A 79 GLN : amide:sc= -1.19! X(o=-1.2!,f=-0.74) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -16:sc= -1.65! USER MOD Single : A 103 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.2) USER MOD Single : A 107 ASN : amide:sc= -0.385 K(o=-0.38,f=-2) USER MOD Single : A 108 THR OG1 : rot 180:sc= -2.67! USER MOD Single : A 112 THR OG1 : rot 44:sc= 0.607 USER MOD Single : A 115 HIS : no HD1:sc= -0.513 K(o=-0.51,f=-2.1) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 164:sc= -1.08 (180deg=-1.45) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= -0.214 (180deg=-0.214) USER MOD Single : A 120 ASN : amide:sc= -2.25 K(o=-2.3,f=-9.1!) USER MOD Single : A 142 MET CE :methyl -139:sc= -0.166 (180deg=-0.759) USER MOD Single : A 145 GLN : amide:sc= -4.95! K(o=-5!,f=-1.7) USER MOD Single : A 148 HIS : no HE2:sc= -1.02 K(o=-1,f=-2.8!) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ -129:sc= -0.854 (180deg=-1.15) USER MOD Single : A 156 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.9!) USER MOD Single : A 157 LYS NZ :NH3+ -166:sc= -0.0513 (180deg=-0.297) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 0.577 -15.135 -7.460 1.00 0.73 N ATOM 2 CA THR A 1 0.304 -14.340 -6.233 1.00 0.53 C ATOM 3 C THR A 1 0.364 -12.843 -6.523 1.00 0.47 C ATOM 4 O THR A 1 1.265 -12.371 -7.216 1.00 0.70 O ATOM 5 CB THR A 1 1.336 -14.717 -5.168 1.00 0.54 C ATOM 6 OG1 THR A 1 1.292 -16.107 -4.900 1.00 0.58 O ATOM 7 CG2 THR A 1 1.135 -13.994 -3.855 1.00 0.81 C ATOM 0 H1 THR A 1 1.069 -16.014 -7.202 1.00 0.73 H new ATOM 0 H2 THR A 1 -0.321 -15.366 -7.931 1.00 0.73 H new ATOM 0 H3 THR A 1 1.174 -14.581 -8.107 1.00 0.73 H new ATOM 0 HA THR A 1 -0.701 -14.564 -5.876 1.00 0.53 H new ATOM 0 HB THR A 1 2.300 -14.422 -5.583 1.00 0.54 H new ATOM 0 HG1 THR A 1 1.960 -16.330 -4.218 1.00 0.58 H new ATOM 0 HG21 THR A 1 1.901 -14.308 -3.146 1.00 0.81 H new ATOM 0 HG22 THR A 1 1.210 -12.919 -4.017 1.00 0.81 H new ATOM 0 HG23 THR A 1 0.150 -14.233 -3.455 1.00 0.81 H new ATOM 17 N VAL A 2 -0.605 -12.104 -5.993 1.00 0.44 N ATOM 18 CA VAL A 2 -0.670 -10.661 -6.198 1.00 0.42 C ATOM 19 C VAL A 2 -0.198 -9.907 -4.959 1.00 0.38 C ATOM 20 O VAL A 2 -0.430 -10.339 -3.830 1.00 0.43 O ATOM 21 CB VAL A 2 -2.103 -10.216 -6.549 1.00 0.51 C ATOM 22 CG1 VAL A 2 -2.167 -8.714 -6.775 1.00 1.29 C ATOM 23 CG2 VAL A 2 -2.608 -10.965 -7.772 1.00 0.85 C ATOM 0 H VAL A 2 -1.358 -12.481 -5.417 1.00 0.44 H new ATOM 0 HA VAL A 2 -0.008 -10.424 -7.031 1.00 0.42 H new ATOM 0 HB VAL A 2 -2.750 -10.456 -5.705 1.00 0.51 H new ATOM 0 HG11 VAL A 2 -3.189 -8.426 -7.021 1.00 1.29 H new ATOM 0 HG12 VAL A 2 -1.852 -8.196 -5.869 1.00 1.29 H new ATOM 0 HG13 VAL A 2 -1.505 -8.441 -7.597 1.00 1.29 H new ATOM 0 HG21 VAL A 2 -3.621 -10.639 -8.006 1.00 0.85 H new ATOM 0 HG22 VAL A 2 -1.955 -10.759 -8.620 1.00 0.85 H new ATOM 0 HG23 VAL A 2 -2.610 -12.036 -7.568 1.00 0.85 H new ATOM 33 N ALA A 3 0.465 -8.775 -5.180 1.00 0.38 N ATOM 34 CA ALA A 3 0.970 -7.958 -4.085 1.00 0.40 C ATOM 35 C ALA A 3 0.140 -6.691 -3.915 1.00 0.40 C ATOM 36 O ALA A 3 0.304 -5.721 -4.655 1.00 0.65 O ATOM 37 CB ALA A 3 2.432 -7.609 -4.318 1.00 0.43 C ATOM 0 H ALA A 3 0.664 -8.404 -6.109 1.00 0.38 H new ATOM 0 HA ALA A 3 0.889 -8.537 -3.165 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.796 -6.998 -3.492 1.00 0.43 H new ATOM 0 HB2 ALA A 3 3.020 -8.525 -4.379 1.00 0.43 H new ATOM 0 HB3 ALA A 3 2.529 -7.053 -5.251 1.00 0.43 H new ATOM 43 N TYR A 4 -0.750 -6.711 -2.931 1.00 0.25 N ATOM 44 CA TYR A 4 -1.610 -5.570 -2.646 1.00 0.24 C ATOM 45 C TYR A 4 -0.870 -4.577 -1.763 1.00 0.27 C ATOM 46 O TYR A 4 -0.762 -4.767 -0.551 1.00 0.35 O ATOM 47 CB TYR A 4 -2.896 -6.032 -1.956 1.00 0.25 C ATOM 48 CG TYR A 4 -3.631 -7.129 -2.701 1.00 0.27 C ATOM 49 CD1 TYR A 4 -3.064 -8.388 -2.869 1.00 0.55 C ATOM 50 CD2 TYR A 4 -4.887 -6.902 -3.241 1.00 0.62 C ATOM 51 CE1 TYR A 4 -3.730 -9.386 -3.553 1.00 0.61 C ATOM 52 CE2 TYR A 4 -5.558 -7.895 -3.924 1.00 0.66 C ATOM 53 CZ TYR A 4 -4.976 -9.134 -4.079 1.00 0.45 C ATOM 54 OH TYR A 4 -5.644 -10.125 -4.761 1.00 0.55 O ATOM 0 H TYR A 4 -0.895 -7.510 -2.314 1.00 0.25 H new ATOM 0 HA TYR A 4 -1.876 -5.085 -3.585 1.00 0.24 H new ATOM 0 HB2 TYR A 4 -2.653 -6.386 -0.954 1.00 0.25 H new ATOM 0 HB3 TYR A 4 -3.561 -5.177 -1.839 1.00 0.25 H new ATOM 0 HD1 TYR A 4 -2.086 -8.589 -2.457 1.00 0.55 H new ATOM 0 HD2 TYR A 4 -5.348 -5.932 -3.125 1.00 0.62 H new ATOM 0 HE1 TYR A 4 -3.276 -10.358 -3.674 1.00 0.61 H new ATOM 0 HE2 TYR A 4 -6.537 -7.702 -4.336 1.00 0.66 H new ATOM 0 HH TYR A 4 -5.018 -10.844 -4.989 1.00 0.55 H new ATOM 64 N ILE A 5 -0.334 -3.532 -2.380 1.00 0.28 N ATOM 65 CA ILE A 5 0.430 -2.531 -1.651 1.00 0.34 C ATOM 66 C ILE A 5 -0.259 -1.168 -1.652 1.00 0.34 C ATOM 67 O ILE A 5 -1.003 -0.834 -2.574 1.00 0.39 O ATOM 68 CB ILE A 5 1.837 -2.386 -2.262 1.00 0.41 C ATOM 69 CG1 ILE A 5 2.462 -3.768 -2.472 1.00 0.44 C ATOM 70 CG2 ILE A 5 2.718 -1.531 -1.367 1.00 0.53 C ATOM 71 CD1 ILE A 5 3.780 -3.735 -3.214 1.00 0.95 C ATOM 0 H ILE A 5 -0.414 -3.357 -3.382 1.00 0.28 H new ATOM 0 HA ILE A 5 0.502 -2.874 -0.619 1.00 0.34 H new ATOM 0 HB ILE A 5 1.752 -1.891 -3.229 1.00 0.41 H new ATOM 0 HG12 ILE A 5 2.614 -4.239 -1.501 1.00 0.44 H new ATOM 0 HG13 ILE A 5 1.761 -4.394 -3.024 1.00 0.44 H new ATOM 0 HG21 ILE A 5 3.708 -1.438 -1.813 1.00 0.53 H new ATOM 0 HG22 ILE A 5 2.275 -0.541 -1.259 1.00 0.53 H new ATOM 0 HG23 ILE A 5 2.804 -1.999 -0.386 1.00 0.53 H new ATOM 0 HD11 ILE A 5 4.161 -4.750 -3.324 1.00 0.95 H new ATOM 0 HD12 ILE A 5 3.632 -3.294 -4.200 1.00 0.95 H new ATOM 0 HD13 ILE A 5 4.498 -3.137 -2.653 1.00 0.95 H new ATOM 83 N ALA A 6 0.014 -0.384 -0.612 1.00 0.40 N ATOM 84 CA ALA A 6 -0.553 0.953 -0.476 1.00 0.44 C ATOM 85 C ALA A 6 0.558 1.999 -0.488 1.00 0.42 C ATOM 86 O ALA A 6 1.438 1.991 0.373 1.00 0.58 O ATOM 87 CB ALA A 6 -1.368 1.052 0.806 1.00 0.53 C ATOM 0 H ALA A 6 0.630 -0.656 0.154 1.00 0.40 H new ATOM 0 HA ALA A 6 -1.216 1.142 -1.320 1.00 0.44 H new ATOM 0 HB1 ALA A 6 -1.785 2.055 0.895 1.00 0.53 H new ATOM 0 HB2 ALA A 6 -2.178 0.323 0.780 1.00 0.53 H new ATOM 0 HB3 ALA A 6 -0.725 0.849 1.662 1.00 0.53 H new ATOM 93 N ILE A 7 0.525 2.885 -1.479 1.00 0.41 N ATOM 94 CA ILE A 7 1.545 3.920 -1.611 1.00 0.40 C ATOM 95 C ILE A 7 1.060 5.269 -1.088 1.00 0.44 C ATOM 96 O ILE A 7 -0.099 5.642 -1.272 1.00 0.52 O ATOM 97 CB ILE A 7 1.982 4.075 -3.082 1.00 0.50 C ATOM 98 CG1 ILE A 7 2.507 2.738 -3.615 1.00 0.65 C ATOM 99 CG2 ILE A 7 3.041 5.162 -3.216 1.00 0.53 C ATOM 100 CD1 ILE A 7 2.842 2.757 -5.090 1.00 0.99 C ATOM 0 H ILE A 7 -0.195 2.907 -2.201 1.00 0.41 H new ATOM 0 HA ILE A 7 2.395 3.601 -1.008 1.00 0.40 H new ATOM 0 HB ILE A 7 1.117 4.373 -3.675 1.00 0.50 H new ATOM 0 HG12 ILE A 7 3.398 2.459 -3.053 1.00 0.65 H new ATOM 0 HG13 ILE A 7 1.760 1.966 -3.432 1.00 0.65 H new ATOM 0 HG21 ILE A 7 3.336 5.256 -4.261 1.00 0.53 H new ATOM 0 HG22 ILE A 7 2.634 6.111 -2.867 1.00 0.53 H new ATOM 0 HG23 ILE A 7 3.912 4.898 -2.616 1.00 0.53 H new ATOM 0 HD11 ILE A 7 3.207 1.776 -5.393 1.00 0.99 H new ATOM 0 HD12 ILE A 7 1.948 3.005 -5.663 1.00 0.99 H new ATOM 0 HD13 ILE A 7 3.612 3.505 -5.279 1.00 0.99 H new ATOM 112 N GLY A 8 1.968 5.998 -0.443 1.00 0.50 N ATOM 113 CA GLY A 8 1.639 7.304 0.095 1.00 0.61 C ATOM 114 C GLY A 8 2.689 8.342 -0.251 1.00 0.62 C ATOM 115 O GLY A 8 3.835 7.999 -0.542 1.00 0.90 O ATOM 0 H GLY A 8 2.931 5.703 -0.284 1.00 0.50 H new ATOM 0 HA2 GLY A 8 0.672 7.623 -0.294 1.00 0.61 H new ATOM 0 HA3 GLY A 8 1.540 7.235 1.178 1.00 0.61 H new ATOM 119 N SER A 9 2.298 9.613 -0.228 1.00 0.56 N ATOM 120 CA SER A 9 3.216 10.701 -0.549 1.00 0.63 C ATOM 121 C SER A 9 2.671 12.039 -0.061 1.00 0.66 C ATOM 122 O SER A 9 1.482 12.327 -0.213 1.00 0.77 O ATOM 123 CB SER A 9 3.461 10.748 -2.055 1.00 0.77 C ATOM 124 OG SER A 9 2.238 10.741 -2.766 1.00 1.58 O ATOM 0 H SER A 9 1.353 9.914 0.009 1.00 0.56 H new ATOM 0 HA SER A 9 4.161 10.515 -0.038 1.00 0.63 H new ATOM 0 HB2 SER A 9 4.028 11.644 -2.307 1.00 0.77 H new ATOM 0 HB3 SER A 9 4.066 9.893 -2.356 1.00 0.77 H new ATOM 0 HG SER A 9 2.205 9.957 -3.353 1.00 1.58 H new ATOM 130 N ASN A 10 3.540 12.848 0.545 1.00 0.69 N ATOM 131 CA ASN A 10 3.128 14.144 1.074 1.00 0.79 C ATOM 132 C ASN A 10 4.213 15.208 0.912 1.00 0.83 C ATOM 133 O ASN A 10 4.063 16.154 0.139 1.00 0.98 O ATOM 134 CB ASN A 10 2.785 14.020 2.560 1.00 0.99 C ATOM 135 CG ASN A 10 1.791 12.915 2.850 1.00 1.05 C ATOM 136 OD1 ASN A 10 2.065 11.739 2.620 1.00 2.01 O ATOM 137 ND2 ASN A 10 0.630 13.290 3.364 1.00 1.01 N ATOM 0 H ASN A 10 4.527 12.629 0.680 1.00 0.69 H new ATOM 0 HA ASN A 10 2.254 14.455 0.502 1.00 0.79 H new ATOM 0 HB2 ASN A 10 3.699 13.835 3.124 1.00 0.99 H new ATOM 0 HB3 ASN A 10 2.379 14.968 2.913 1.00 0.99 H new ATOM 0 HD21 ASN A 10 -0.079 12.591 3.585 1.00 1.01 H new ATOM 0 HD22 ASN A 10 0.445 14.278 3.539 1.00 1.01 H new ATOM 144 N LEU A 11 5.286 15.061 1.687 1.00 0.83 N ATOM 145 CA LEU A 11 6.391 16.019 1.681 1.00 0.95 C ATOM 146 C LEU A 11 7.325 15.837 0.486 1.00 0.93 C ATOM 147 O LEU A 11 8.544 15.926 0.633 1.00 1.38 O ATOM 148 CB LEU A 11 7.199 15.898 2.980 1.00 1.12 C ATOM 149 CG LEU A 11 6.496 16.388 4.252 1.00 0.90 C ATOM 150 CD1 LEU A 11 6.083 17.843 4.108 1.00 1.77 C ATOM 151 CD2 LEU A 11 5.290 15.521 4.577 1.00 1.54 C ATOM 0 H LEU A 11 5.414 14.281 2.332 1.00 0.83 H new ATOM 0 HA LEU A 11 5.946 17.011 1.602 1.00 0.95 H new ATOM 0 HB2 LEU A 11 7.473 14.852 3.119 1.00 1.12 H new ATOM 0 HB3 LEU A 11 8.127 16.458 2.862 1.00 1.12 H new ATOM 0 HG LEU A 11 7.202 16.309 5.079 1.00 0.90 H new ATOM 0 HD11 LEU A 11 5.586 18.172 5.021 1.00 1.77 H new ATOM 0 HD12 LEU A 11 6.967 18.457 3.935 1.00 1.77 H new ATOM 0 HD13 LEU A 11 5.399 17.945 3.265 1.00 1.77 H new ATOM 0 HD21 LEU A 11 4.810 15.890 5.483 1.00 1.54 H new ATOM 0 HD22 LEU A 11 4.581 15.559 3.750 1.00 1.54 H new ATOM 0 HD23 LEU A 11 5.613 14.491 4.731 1.00 1.54 H new ATOM 163 N ALA A 12 6.758 15.600 -0.694 1.00 0.84 N ATOM 164 CA ALA A 12 7.562 15.426 -1.899 1.00 0.91 C ATOM 165 C ALA A 12 6.686 15.216 -3.129 1.00 0.95 C ATOM 166 O ALA A 12 6.790 14.191 -3.798 1.00 1.72 O ATOM 167 CB ALA A 12 8.520 14.254 -1.735 1.00 0.97 C ATOM 0 H ALA A 12 5.751 15.524 -0.841 1.00 0.84 H new ATOM 0 HA ALA A 12 8.138 16.340 -2.046 1.00 0.91 H new ATOM 0 HB1 ALA A 12 9.112 14.138 -2.643 1.00 0.97 H new ATOM 0 HB2 ALA A 12 9.183 14.442 -0.891 1.00 0.97 H new ATOM 0 HB3 ALA A 12 7.951 13.342 -1.554 1.00 0.97 H new ATOM 173 N SER A 13 5.827 16.195 -3.420 1.00 0.81 N ATOM 174 CA SER A 13 4.928 16.118 -4.574 1.00 0.79 C ATOM 175 C SER A 13 4.218 14.763 -4.625 1.00 0.71 C ATOM 176 O SER A 13 4.723 13.804 -5.213 1.00 0.71 O ATOM 177 CB SER A 13 5.696 16.378 -5.873 1.00 0.89 C ATOM 178 OG SER A 13 6.843 15.555 -5.968 1.00 1.47 O ATOM 0 H SER A 13 5.735 17.051 -2.873 1.00 0.81 H new ATOM 0 HA SER A 13 4.168 16.892 -4.464 1.00 0.79 H new ATOM 0 HB2 SER A 13 5.043 16.195 -6.726 1.00 0.89 H new ATOM 0 HB3 SER A 13 5.993 17.426 -5.918 1.00 0.89 H new ATOM 0 HG SER A 13 6.714 14.750 -5.424 1.00 1.47 H new ATOM 184 N PRO A 14 3.036 14.668 -3.987 1.00 0.69 N ATOM 185 CA PRO A 14 2.246 13.429 -3.928 1.00 0.66 C ATOM 186 C PRO A 14 2.067 12.736 -5.279 1.00 0.67 C ATOM 187 O PRO A 14 1.783 11.540 -5.332 1.00 0.66 O ATOM 188 CB PRO A 14 0.895 13.905 -3.396 1.00 0.68 C ATOM 189 CG PRO A 14 1.217 15.101 -2.571 1.00 0.80 C ATOM 190 CD PRO A 14 2.381 15.768 -3.248 1.00 0.78 C ATOM 0 HA PRO A 14 2.743 12.679 -3.312 1.00 0.66 H new ATOM 0 HB2 PRO A 14 0.215 14.156 -4.210 1.00 0.68 H new ATOM 0 HB3 PRO A 14 0.409 13.132 -2.801 1.00 0.68 H new ATOM 0 HG2 PRO A 14 0.362 15.775 -2.510 1.00 0.80 H new ATOM 0 HG3 PRO A 14 1.471 14.815 -1.550 1.00 0.80 H new ATOM 0 HD2 PRO A 14 2.052 16.561 -3.920 1.00 0.78 H new ATOM 0 HD3 PRO A 14 3.058 16.223 -2.525 1.00 0.78 H new ATOM 198 N LEU A 15 2.218 13.484 -6.364 1.00 0.73 N ATOM 199 CA LEU A 15 2.052 12.922 -7.702 1.00 0.78 C ATOM 200 C LEU A 15 3.351 12.311 -8.223 1.00 0.73 C ATOM 201 O LEU A 15 3.341 11.253 -8.852 1.00 0.79 O ATOM 202 CB LEU A 15 1.568 14.004 -8.669 1.00 0.92 C ATOM 203 CG LEU A 15 1.391 13.554 -10.121 1.00 0.98 C ATOM 204 CD1 LEU A 15 0.309 12.489 -10.229 1.00 1.00 C ATOM 205 CD2 LEU A 15 1.059 14.744 -11.008 1.00 1.15 C ATOM 0 H LEU A 15 2.454 14.476 -6.347 1.00 0.73 H new ATOM 0 HA LEU A 15 1.308 12.128 -7.636 1.00 0.78 H new ATOM 0 HB2 LEU A 15 0.615 14.391 -8.307 1.00 0.92 H new ATOM 0 HB3 LEU A 15 2.277 14.831 -8.647 1.00 0.92 H new ATOM 0 HG LEU A 15 2.331 13.119 -10.461 1.00 0.98 H new ATOM 0 HD11 LEU A 15 0.201 12.184 -11.270 1.00 1.00 H new ATOM 0 HD12 LEU A 15 0.587 11.625 -9.625 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.637 12.894 -9.869 1.00 1.00 H new ATOM 0 HD21 LEU A 15 0.936 14.407 -12.037 1.00 1.15 H new ATOM 0 HD22 LEU A 15 0.134 15.207 -10.665 1.00 1.15 H new ATOM 0 HD23 LEU A 15 1.869 15.472 -10.958 1.00 1.15 H new ATOM 217 N GLU A 16 4.460 12.997 -7.976 1.00 0.71 N ATOM 218 CA GLU A 16 5.770 12.546 -8.438 1.00 0.71 C ATOM 219 C GLU A 16 6.169 11.212 -7.803 1.00 0.63 C ATOM 220 O GLU A 16 6.709 10.332 -8.474 1.00 0.65 O ATOM 221 CB GLU A 16 6.821 13.604 -8.107 1.00 0.81 C ATOM 222 CG GLU A 16 8.028 13.586 -9.026 1.00 0.95 C ATOM 223 CD GLU A 16 7.695 14.064 -10.424 1.00 1.57 C ATOM 224 OE1 GLU A 16 7.265 15.228 -10.566 1.00 2.01 O ATOM 225 OE2 GLU A 16 7.861 13.276 -11.376 1.00 2.35 O ATOM 0 H GLU A 16 4.479 13.874 -7.455 1.00 0.71 H new ATOM 0 HA GLU A 16 5.711 12.398 -9.516 1.00 0.71 H new ATOM 0 HB2 GLU A 16 6.357 14.589 -8.154 1.00 0.81 H new ATOM 0 HB3 GLU A 16 7.157 13.458 -7.080 1.00 0.81 H new ATOM 0 HG2 GLU A 16 8.811 14.217 -8.606 1.00 0.95 H new ATOM 0 HG3 GLU A 16 8.428 12.573 -9.077 1.00 0.95 H new ATOM 232 N GLN A 17 5.918 11.079 -6.503 1.00 0.59 N ATOM 233 CA GLN A 17 6.269 9.864 -5.766 1.00 0.56 C ATOM 234 C GLN A 17 5.575 8.628 -6.335 1.00 0.55 C ATOM 235 O GLN A 17 6.220 7.619 -6.617 1.00 0.61 O ATOM 236 CB GLN A 17 5.896 10.017 -4.290 1.00 0.62 C ATOM 237 CG GLN A 17 6.492 11.246 -3.621 1.00 0.71 C ATOM 238 CD GLN A 17 8.006 11.216 -3.560 1.00 1.20 C ATOM 239 OE1 GLN A 17 8.682 11.243 -4.586 1.00 1.99 O ATOM 240 NE2 GLN A 17 8.547 11.157 -2.350 1.00 1.63 N ATOM 0 H GLN A 17 5.471 11.799 -5.935 1.00 0.59 H new ATOM 0 HA GLN A 17 7.345 9.725 -5.868 1.00 0.56 H new ATOM 0 HB2 GLN A 17 4.810 10.061 -4.204 1.00 0.62 H new ATOM 0 HB3 GLN A 17 6.223 9.128 -3.750 1.00 0.62 H new ATOM 0 HG2 GLN A 17 6.174 12.137 -4.163 1.00 0.71 H new ATOM 0 HG3 GLN A 17 6.095 11.329 -2.609 1.00 0.71 H new ATOM 0 HE21 GLN A 17 7.949 11.136 -1.524 1.00 1.63 H new ATOM 0 HE22 GLN A 17 9.561 11.132 -2.246 1.00 1.63 H new ATOM 249 N VAL A 18 4.255 8.709 -6.472 1.00 0.56 N ATOM 250 CA VAL A 18 3.456 7.593 -6.975 1.00 0.62 C ATOM 251 C VAL A 18 3.960 7.067 -8.320 1.00 0.60 C ATOM 252 O VAL A 18 3.957 5.858 -8.556 1.00 0.64 O ATOM 253 CB VAL A 18 1.973 7.991 -7.114 1.00 0.76 C ATOM 254 CG1 VAL A 18 1.143 6.814 -7.606 1.00 0.82 C ATOM 255 CG2 VAL A 18 1.437 8.513 -5.790 1.00 0.83 C ATOM 0 H VAL A 18 3.712 9.541 -6.240 1.00 0.56 H new ATOM 0 HA VAL A 18 3.557 6.795 -6.239 1.00 0.62 H new ATOM 0 HB VAL A 18 1.899 8.789 -7.853 1.00 0.76 H new ATOM 0 HG11 VAL A 18 0.100 7.117 -7.697 1.00 0.82 H new ATOM 0 HG12 VAL A 18 1.513 6.489 -8.579 1.00 0.82 H new ATOM 0 HG13 VAL A 18 1.221 5.991 -6.895 1.00 0.82 H new ATOM 0 HG21 VAL A 18 0.389 8.790 -5.905 1.00 0.83 H new ATOM 0 HG22 VAL A 18 1.526 7.737 -5.030 1.00 0.83 H new ATOM 0 HG23 VAL A 18 2.011 9.387 -5.484 1.00 0.83 H new ATOM 265 N ASN A 19 4.375 7.971 -9.204 1.00 0.60 N ATOM 266 CA ASN A 19 4.861 7.580 -10.527 1.00 0.64 C ATOM 267 C ASN A 19 5.961 6.524 -10.439 1.00 0.56 C ATOM 268 O ASN A 19 5.809 5.416 -10.956 1.00 0.63 O ATOM 269 CB ASN A 19 5.375 8.799 -11.296 1.00 0.72 C ATOM 270 CG ASN A 19 4.273 9.788 -11.622 1.00 0.82 C ATOM 271 OD1 ASN A 19 3.262 9.431 -12.227 1.00 0.92 O ATOM 272 ND2 ASN A 19 4.469 11.041 -11.234 1.00 0.84 N ATOM 0 H ASN A 19 4.385 8.976 -9.030 1.00 0.60 H new ATOM 0 HA ASN A 19 4.017 7.146 -11.063 1.00 0.64 H new ATOM 0 HB2 ASN A 19 6.144 9.298 -10.707 1.00 0.72 H new ATOM 0 HB3 ASN A 19 5.847 8.468 -12.221 1.00 0.72 H new ATOM 0 HD21 ASN A 19 3.767 11.753 -11.435 1.00 0.84 H new ATOM 0 HD22 ASN A 19 5.322 11.293 -10.735 1.00 0.84 H new ATOM 279 N ALA A 20 7.070 6.872 -9.796 1.00 0.47 N ATOM 280 CA ALA A 20 8.196 5.951 -9.659 1.00 0.42 C ATOM 281 C ALA A 20 7.971 4.944 -8.536 1.00 0.35 C ATOM 282 O ALA A 20 8.857 4.150 -8.220 1.00 0.36 O ATOM 283 CB ALA A 20 9.482 6.727 -9.422 1.00 0.43 C ATOM 0 H ALA A 20 7.215 7.783 -9.361 1.00 0.47 H new ATOM 0 HA ALA A 20 8.280 5.391 -10.590 1.00 0.42 H new ATOM 0 HB1 ALA A 20 10.314 6.030 -9.321 1.00 0.43 H new ATOM 0 HB2 ALA A 20 9.666 7.393 -10.265 1.00 0.43 H new ATOM 0 HB3 ALA A 20 9.389 7.315 -8.509 1.00 0.43 H new ATOM 289 N ALA A 21 6.786 4.976 -7.935 1.00 0.36 N ATOM 290 CA ALA A 21 6.461 4.060 -6.848 1.00 0.39 C ATOM 291 C ALA A 21 5.766 2.808 -7.368 1.00 0.41 C ATOM 292 O ALA A 21 5.889 1.731 -6.784 1.00 0.44 O ATOM 293 CB ALA A 21 5.589 4.753 -5.811 1.00 0.46 C ATOM 0 H ALA A 21 6.038 5.624 -8.181 1.00 0.36 H new ATOM 0 HA ALA A 21 7.396 3.756 -6.378 1.00 0.39 H new ATOM 0 HB1 ALA A 21 5.356 4.055 -5.007 1.00 0.46 H new ATOM 0 HB2 ALA A 21 6.122 5.612 -5.403 1.00 0.46 H new ATOM 0 HB3 ALA A 21 4.664 5.089 -6.279 1.00 0.46 H new ATOM 299 N LEU A 22 5.031 2.953 -8.465 1.00 0.47 N ATOM 300 CA LEU A 22 4.312 1.830 -9.054 1.00 0.53 C ATOM 301 C LEU A 22 5.038 1.269 -10.273 1.00 0.50 C ATOM 302 O LEU A 22 4.838 0.111 -10.639 1.00 0.64 O ATOM 303 CB LEU A 22 2.878 2.243 -9.415 1.00 0.70 C ATOM 304 CG LEU A 22 2.736 3.533 -10.229 1.00 0.81 C ATOM 305 CD1 LEU A 22 3.147 3.318 -11.678 1.00 1.28 C ATOM 306 CD2 LEU A 22 1.308 4.050 -10.153 1.00 1.35 C ATOM 0 H LEU A 22 4.918 3.836 -8.963 1.00 0.47 H new ATOM 0 HA LEU A 22 4.271 1.036 -8.309 1.00 0.53 H new ATOM 0 HB2 LEU A 22 2.417 1.430 -9.976 1.00 0.70 H new ATOM 0 HB3 LEU A 22 2.310 2.355 -8.492 1.00 0.70 H new ATOM 0 HG LEU A 22 3.404 4.279 -9.799 1.00 0.81 H new ATOM 0 HD11 LEU A 22 3.035 4.251 -12.230 1.00 1.28 H new ATOM 0 HD12 LEU A 22 4.187 2.996 -11.717 1.00 1.28 H new ATOM 0 HD13 LEU A 22 2.513 2.553 -12.126 1.00 1.28 H new ATOM 0 HD21 LEU A 22 1.222 4.967 -10.736 1.00 1.35 H new ATOM 0 HD22 LEU A 22 0.627 3.299 -10.555 1.00 1.35 H new ATOM 0 HD23 LEU A 22 1.050 4.255 -9.114 1.00 1.35 H new ATOM 318 N LYS A 23 5.882 2.085 -10.899 1.00 0.45 N ATOM 319 CA LYS A 23 6.623 1.635 -12.072 1.00 0.49 C ATOM 320 C LYS A 23 7.912 0.937 -11.656 1.00 0.43 C ATOM 321 O LYS A 23 8.432 0.091 -12.383 1.00 0.51 O ATOM 322 CB LYS A 23 6.938 2.801 -13.009 1.00 0.56 C ATOM 323 CG LYS A 23 8.017 3.738 -12.490 1.00 0.93 C ATOM 324 CD LYS A 23 8.419 4.777 -13.531 1.00 1.62 C ATOM 325 CE LYS A 23 9.099 4.147 -14.741 1.00 2.52 C ATOM 326 NZ LYS A 23 8.148 3.368 -15.585 1.00 3.23 N ATOM 0 H LYS A 23 6.068 3.048 -10.618 1.00 0.45 H new ATOM 0 HA LYS A 23 5.994 0.925 -12.609 1.00 0.49 H new ATOM 0 HB2 LYS A 23 7.250 2.403 -13.975 1.00 0.56 H new ATOM 0 HB3 LYS A 23 6.026 3.373 -13.180 1.00 0.56 H new ATOM 0 HG2 LYS A 23 7.658 4.243 -11.593 1.00 0.93 H new ATOM 0 HG3 LYS A 23 8.893 3.157 -12.200 1.00 0.93 H new ATOM 0 HD2 LYS A 23 7.534 5.323 -13.857 1.00 1.62 H new ATOM 0 HD3 LYS A 23 9.092 5.504 -13.076 1.00 1.62 H new ATOM 0 HE2 LYS A 23 9.559 4.930 -15.344 1.00 2.52 H new ATOM 0 HE3 LYS A 23 9.902 3.492 -14.403 1.00 2.52 H new ATOM 0 HZ1 LYS A 23 8.296 3.607 -16.586 1.00 3.23 H new ATOM 0 HZ2 LYS A 23 8.312 2.351 -15.444 1.00 3.23 H new ATOM 0 HZ3 LYS A 23 7.172 3.602 -15.314 1.00 3.23 H new ATOM 340 N ALA A 24 8.419 1.288 -10.477 1.00 0.37 N ATOM 341 CA ALA A 24 9.641 0.681 -9.965 1.00 0.41 C ATOM 342 C ALA A 24 9.432 -0.809 -9.735 1.00 0.41 C ATOM 343 O ALA A 24 10.386 -1.586 -9.703 1.00 0.43 O ATOM 344 CB ALA A 24 10.076 1.365 -8.677 1.00 0.46 C ATOM 0 H ALA A 24 8.003 1.987 -9.861 1.00 0.37 H new ATOM 0 HA ALA A 24 10.431 0.810 -10.705 1.00 0.41 H new ATOM 0 HB1 ALA A 24 10.990 0.899 -8.308 1.00 0.46 H new ATOM 0 HB2 ALA A 24 10.260 2.422 -8.870 1.00 0.46 H new ATOM 0 HB3 ALA A 24 9.290 1.264 -7.928 1.00 0.46 H new ATOM 350 N LEU A 25 8.169 -1.197 -9.583 1.00 0.43 N ATOM 351 CA LEU A 25 7.815 -2.591 -9.365 1.00 0.48 C ATOM 352 C LEU A 25 8.100 -3.416 -10.615 1.00 0.49 C ATOM 353 O LEU A 25 8.277 -4.631 -10.543 1.00 0.57 O ATOM 354 CB LEU A 25 6.337 -2.705 -8.983 1.00 0.53 C ATOM 355 CG LEU A 25 5.930 -1.930 -7.725 1.00 0.70 C ATOM 356 CD1 LEU A 25 4.432 -2.043 -7.491 1.00 0.95 C ATOM 357 CD2 LEU A 25 6.697 -2.438 -6.512 1.00 1.00 C ATOM 0 H LEU A 25 7.372 -0.560 -9.607 1.00 0.43 H new ATOM 0 HA LEU A 25 8.422 -2.980 -8.548 1.00 0.48 H new ATOM 0 HB2 LEU A 25 5.733 -2.353 -9.819 1.00 0.53 H new ATOM 0 HB3 LEU A 25 6.096 -3.758 -8.837 1.00 0.53 H new ATOM 0 HG LEU A 25 6.178 -0.879 -7.874 1.00 0.70 H new ATOM 0 HD11 LEU A 25 4.161 -1.487 -6.594 1.00 0.95 H new ATOM 0 HD12 LEU A 25 3.898 -1.632 -8.348 1.00 0.95 H new ATOM 0 HD13 LEU A 25 4.162 -3.091 -7.364 1.00 0.95 H new ATOM 0 HD21 LEU A 25 6.395 -1.876 -5.629 1.00 1.00 H new ATOM 0 HD22 LEU A 25 6.480 -3.495 -6.361 1.00 1.00 H new ATOM 0 HD23 LEU A 25 7.766 -2.307 -6.677 1.00 1.00 H new ATOM 369 N GLY A 26 8.151 -2.739 -11.759 1.00 0.47 N ATOM 370 CA GLY A 26 8.424 -3.414 -13.013 1.00 0.53 C ATOM 371 C GLY A 26 9.824 -3.993 -13.061 1.00 0.50 C ATOM 372 O GLY A 26 10.073 -4.978 -13.758 1.00 0.64 O ATOM 0 H GLY A 26 8.007 -1.732 -11.838 1.00 0.47 H new ATOM 0 HA2 GLY A 26 7.697 -4.213 -13.159 1.00 0.53 H new ATOM 0 HA3 GLY A 26 8.295 -2.712 -13.837 1.00 0.53 H new ATOM 376 N ASP A 27 10.740 -3.380 -12.313 1.00 0.43 N ATOM 377 CA ASP A 27 12.126 -3.838 -12.264 1.00 0.46 C ATOM 378 C ASP A 27 12.341 -4.825 -11.125 1.00 0.41 C ATOM 379 O ASP A 27 13.223 -5.680 -11.196 1.00 0.56 O ATOM 380 CB ASP A 27 13.081 -2.656 -12.102 1.00 0.59 C ATOM 381 CG ASP A 27 13.199 -1.826 -13.362 1.00 1.05 C ATOM 382 OD1 ASP A 27 13.684 -2.359 -14.380 1.00 1.48 O ATOM 383 OD2 ASP A 27 12.806 -0.643 -13.330 1.00 1.50 O ATOM 0 H ASP A 27 10.546 -2.564 -11.732 1.00 0.43 H new ATOM 0 HA ASP A 27 12.336 -4.342 -13.207 1.00 0.46 H new ATOM 0 HB2 ASP A 27 12.734 -2.023 -11.285 1.00 0.59 H new ATOM 0 HB3 ASP A 27 14.067 -3.026 -11.822 1.00 0.59 H new ATOM 388 N ILE A 28 11.536 -4.694 -10.073 1.00 0.37 N ATOM 389 CA ILE A 28 11.643 -5.574 -8.914 1.00 0.36 C ATOM 390 C ILE A 28 11.666 -7.042 -9.344 1.00 0.42 C ATOM 391 O ILE A 28 10.819 -7.478 -10.124 1.00 0.47 O ATOM 392 CB ILE A 28 10.475 -5.353 -7.928 1.00 0.41 C ATOM 393 CG1 ILE A 28 10.410 -3.887 -7.487 1.00 0.45 C ATOM 394 CG2 ILE A 28 10.618 -6.272 -6.721 1.00 0.47 C ATOM 395 CD1 ILE A 28 11.653 -3.402 -6.771 1.00 1.27 C ATOM 0 H ILE A 28 10.804 -3.988 -10.000 1.00 0.37 H new ATOM 0 HA ILE A 28 12.579 -5.329 -8.412 1.00 0.36 H new ATOM 0 HB ILE A 28 9.543 -5.596 -8.438 1.00 0.41 H new ATOM 0 HG12 ILE A 28 10.241 -3.262 -8.364 1.00 0.45 H new ATOM 0 HG13 ILE A 28 9.550 -3.754 -6.831 1.00 0.45 H new ATOM 0 HG21 ILE A 28 9.787 -6.104 -6.035 1.00 0.47 H new ATOM 0 HG22 ILE A 28 10.611 -7.311 -7.052 1.00 0.47 H new ATOM 0 HG23 ILE A 28 11.558 -6.059 -6.211 1.00 0.47 H new ATOM 0 HD11 ILE A 28 11.527 -2.356 -6.492 1.00 1.27 H new ATOM 0 HD12 ILE A 28 11.813 -4.000 -5.874 1.00 1.27 H new ATOM 0 HD13 ILE A 28 12.515 -3.501 -7.431 1.00 1.27 H new ATOM 407 N PRO A 29 12.643 -7.825 -8.846 1.00 0.49 N ATOM 408 CA PRO A 29 12.771 -9.245 -9.193 1.00 0.65 C ATOM 409 C PRO A 29 11.503 -10.037 -8.894 1.00 0.73 C ATOM 410 O PRO A 29 10.884 -9.867 -7.843 1.00 0.77 O ATOM 411 CB PRO A 29 13.932 -9.742 -8.317 1.00 0.75 C ATOM 412 CG PRO A 29 14.149 -8.679 -7.292 1.00 0.74 C ATOM 413 CD PRO A 29 13.701 -7.392 -7.919 1.00 0.51 C ATOM 0 HA PRO A 29 12.945 -9.378 -10.261 1.00 0.65 H new ATOM 0 HB2 PRO A 29 13.688 -10.695 -7.847 1.00 0.75 H new ATOM 0 HB3 PRO A 29 14.831 -9.901 -8.912 1.00 0.75 H new ATOM 0 HG2 PRO A 29 13.579 -8.890 -6.387 1.00 0.74 H new ATOM 0 HG3 PRO A 29 15.199 -8.626 -7.003 1.00 0.74 H new ATOM 0 HD2 PRO A 29 13.323 -6.691 -7.175 1.00 0.51 H new ATOM 0 HD3 PRO A 29 14.517 -6.893 -8.442 1.00 0.51 H new ATOM 421 N GLU A 30 11.124 -10.903 -9.834 1.00 0.83 N ATOM 422 CA GLU A 30 9.930 -11.733 -9.690 1.00 0.95 C ATOM 423 C GLU A 30 8.674 -10.885 -9.513 1.00 0.84 C ATOM 424 O GLU A 30 7.636 -11.392 -9.098 1.00 1.18 O ATOM 425 CB GLU A 30 10.069 -12.691 -8.503 1.00 1.17 C ATOM 426 CG GLU A 30 10.945 -13.907 -8.768 1.00 1.47 C ATOM 427 CD GLU A 30 12.382 -13.553 -9.090 1.00 2.16 C ATOM 428 OE1 GLU A 30 12.628 -12.993 -10.178 1.00 2.84 O ATOM 429 OE2 GLU A 30 13.264 -13.837 -8.253 1.00 2.65 O ATOM 0 H GLU A 30 11.630 -11.048 -10.708 1.00 0.83 H new ATOM 0 HA GLU A 30 9.832 -12.311 -10.609 1.00 0.95 H new ATOM 0 HB2 GLU A 30 10.480 -12.142 -7.656 1.00 1.17 H new ATOM 0 HB3 GLU A 30 9.076 -13.032 -8.210 1.00 1.17 H new ATOM 0 HG2 GLU A 30 10.926 -14.557 -7.893 1.00 1.47 H new ATOM 0 HG3 GLU A 30 10.524 -14.476 -9.597 1.00 1.47 H new ATOM 436 N SER A 31 8.766 -9.599 -9.828 1.00 0.60 N ATOM 437 CA SER A 31 7.621 -8.706 -9.690 1.00 0.54 C ATOM 438 C SER A 31 7.161 -8.184 -11.044 1.00 0.47 C ATOM 439 O SER A 31 7.968 -7.719 -11.850 1.00 0.59 O ATOM 440 CB SER A 31 7.961 -7.537 -8.768 1.00 0.57 C ATOM 441 OG SER A 31 8.268 -7.992 -7.462 1.00 1.37 O ATOM 0 H SER A 31 9.614 -9.153 -10.178 1.00 0.60 H new ATOM 0 HA SER A 31 6.805 -9.280 -9.250 1.00 0.54 H new ATOM 0 HB2 SER A 31 8.809 -6.985 -9.173 1.00 0.57 H new ATOM 0 HB3 SER A 31 7.120 -6.845 -8.727 1.00 0.57 H new ATOM 0 HG SER A 31 7.767 -8.814 -7.276 1.00 1.37 H new ATOM 447 N HIS A 32 5.858 -8.262 -11.285 1.00 0.38 N ATOM 448 CA HIS A 32 5.286 -7.797 -12.540 1.00 0.42 C ATOM 449 C HIS A 32 3.922 -7.157 -12.303 1.00 0.39 C ATOM 450 O HIS A 32 2.931 -7.848 -12.068 1.00 0.39 O ATOM 451 CB HIS A 32 5.162 -8.958 -13.525 1.00 0.52 C ATOM 452 CG HIS A 32 4.904 -8.519 -14.931 1.00 1.10 C ATOM 453 ND1 HIS A 32 5.771 -7.710 -15.632 1.00 1.90 N ATOM 454 CD2 HIS A 32 3.874 -8.779 -15.769 1.00 1.90 C ATOM 455 CE1 HIS A 32 5.288 -7.491 -16.840 1.00 2.46 C ATOM 456 NE2 HIS A 32 4.137 -8.129 -16.949 1.00 2.42 N ATOM 0 H HIS A 32 5.178 -8.643 -10.627 1.00 0.38 H new ATOM 0 HA HIS A 32 5.950 -7.045 -12.965 1.00 0.42 H new ATOM 0 HB2 HIS A 32 6.079 -9.547 -13.499 1.00 0.52 H new ATOM 0 HB3 HIS A 32 4.353 -9.613 -13.203 1.00 0.52 H new ATOM 0 HD2 HIS A 32 3.007 -9.385 -15.550 1.00 1.90 H new ATOM 0 HE1 HIS A 32 5.754 -6.892 -17.608 1.00 2.46 H new ATOM 0 HE2 HIS A 32 3.540 -8.137 -17.776 1.00 2.42 H new ATOM 465 N ILE A 33 3.888 -5.831 -12.358 1.00 0.42 N ATOM 466 CA ILE A 33 2.659 -5.078 -12.142 1.00 0.42 C ATOM 467 C ILE A 33 1.582 -5.475 -13.155 1.00 0.41 C ATOM 468 O ILE A 33 1.863 -5.644 -14.342 1.00 0.48 O ATOM 469 CB ILE A 33 2.937 -3.562 -12.226 1.00 0.51 C ATOM 470 CG1 ILE A 33 1.747 -2.758 -11.709 1.00 0.61 C ATOM 471 CG2 ILE A 33 3.272 -3.157 -13.656 1.00 0.79 C ATOM 472 CD1 ILE A 33 2.032 -1.275 -11.602 1.00 0.70 C ATOM 0 H ILE A 33 4.705 -5.251 -12.552 1.00 0.42 H new ATOM 0 HA ILE A 33 2.290 -5.316 -11.144 1.00 0.42 H new ATOM 0 HB ILE A 33 3.796 -3.342 -11.592 1.00 0.51 H new ATOM 0 HG12 ILE A 33 0.897 -2.911 -12.374 1.00 0.61 H new ATOM 0 HG13 ILE A 33 1.458 -3.138 -10.729 1.00 0.61 H new ATOM 0 HG21 ILE A 33 3.465 -2.085 -13.695 1.00 0.79 H new ATOM 0 HG22 ILE A 33 4.158 -3.697 -13.989 1.00 0.79 H new ATOM 0 HG23 ILE A 33 2.433 -3.399 -14.309 1.00 0.79 H new ATOM 0 HD11 ILE A 33 1.147 -0.760 -11.229 1.00 0.70 H new ATOM 0 HD12 ILE A 33 2.863 -1.113 -10.915 1.00 0.70 H new ATOM 0 HD13 ILE A 33 2.292 -0.883 -12.585 1.00 0.70 H new ATOM 484 N LEU A 34 0.349 -5.633 -12.677 1.00 0.39 N ATOM 485 CA LEU A 34 -0.763 -6.022 -13.541 1.00 0.40 C ATOM 486 C LEU A 34 -1.768 -4.882 -13.691 1.00 0.37 C ATOM 487 O LEU A 34 -1.828 -4.231 -14.735 1.00 0.50 O ATOM 488 CB LEU A 34 -1.460 -7.268 -12.983 1.00 0.43 C ATOM 489 CG LEU A 34 -2.636 -7.790 -13.816 1.00 0.66 C ATOM 490 CD1 LEU A 34 -2.166 -8.245 -15.189 1.00 1.42 C ATOM 491 CD2 LEU A 34 -3.340 -8.925 -13.090 1.00 1.39 C ATOM 0 H LEU A 34 0.096 -5.498 -11.698 1.00 0.39 H new ATOM 0 HA LEU A 34 -0.359 -6.252 -14.527 1.00 0.40 H new ATOM 0 HB2 LEU A 34 -0.722 -8.065 -12.888 1.00 0.43 H new ATOM 0 HB3 LEU A 34 -1.819 -7.044 -11.979 1.00 0.43 H new ATOM 0 HG LEU A 34 -3.346 -6.974 -13.953 1.00 0.66 H new ATOM 0 HD11 LEU A 34 -3.018 -8.611 -15.762 1.00 1.42 H new ATOM 0 HD12 LEU A 34 -1.709 -7.406 -15.714 1.00 1.42 H new ATOM 0 HD13 LEU A 34 -1.434 -9.044 -15.076 1.00 1.42 H new ATOM 0 HD21 LEU A 34 -4.172 -9.284 -13.696 1.00 1.39 H new ATOM 0 HD22 LEU A 34 -2.637 -9.740 -12.921 1.00 1.39 H new ATOM 0 HD23 LEU A 34 -3.717 -8.566 -12.132 1.00 1.39 H new ATOM 503 N THR A 35 -2.554 -4.644 -12.645 1.00 0.30 N ATOM 504 CA THR A 35 -3.551 -3.580 -12.667 1.00 0.33 C ATOM 505 C THR A 35 -3.148 -2.439 -11.740 1.00 0.34 C ATOM 506 O THR A 35 -2.438 -2.647 -10.756 1.00 0.44 O ATOM 507 CB THR A 35 -4.923 -4.119 -12.260 1.00 0.39 C ATOM 508 OG1 THR A 35 -4.876 -4.677 -10.960 1.00 0.97 O ATOM 509 CG2 THR A 35 -5.453 -5.180 -13.199 1.00 0.93 C ATOM 0 H THR A 35 -2.520 -5.173 -11.773 1.00 0.30 H new ATOM 0 HA THR A 35 -3.609 -3.198 -13.686 1.00 0.33 H new ATOM 0 HB THR A 35 -5.593 -3.260 -12.296 1.00 0.39 H new ATOM 0 HG1 THR A 35 -5.772 -4.979 -10.701 1.00 0.97 H new ATOM 0 HG21 THR A 35 -6.429 -5.519 -12.852 1.00 0.93 H new ATOM 0 HG22 THR A 35 -5.549 -4.763 -14.202 1.00 0.93 H new ATOM 0 HG23 THR A 35 -4.763 -6.024 -13.221 1.00 0.93 H new ATOM 517 N VAL A 36 -3.604 -1.232 -12.062 1.00 0.33 N ATOM 518 CA VAL A 36 -3.287 -0.060 -11.259 1.00 0.39 C ATOM 519 C VAL A 36 -4.531 0.772 -10.979 1.00 0.36 C ATOM 520 O VAL A 36 -5.308 1.074 -11.885 1.00 0.38 O ATOM 521 CB VAL A 36 -2.243 0.834 -11.957 1.00 0.51 C ATOM 522 CG1 VAL A 36 -1.904 2.044 -11.098 1.00 1.05 C ATOM 523 CG2 VAL A 36 -0.992 0.035 -12.281 1.00 1.21 C ATOM 0 H VAL A 36 -4.193 -1.042 -12.873 1.00 0.33 H new ATOM 0 HA VAL A 36 -2.877 -0.428 -10.319 1.00 0.39 H new ATOM 0 HB VAL A 36 -2.672 1.195 -12.892 1.00 0.51 H new ATOM 0 HG11 VAL A 36 -1.165 2.659 -11.612 1.00 1.05 H new ATOM 0 HG12 VAL A 36 -2.806 2.630 -10.923 1.00 1.05 H new ATOM 0 HG13 VAL A 36 -1.497 1.710 -10.143 1.00 1.05 H new ATOM 0 HG21 VAL A 36 -0.265 0.681 -12.773 1.00 1.21 H new ATOM 0 HG22 VAL A 36 -0.563 -0.358 -11.360 1.00 1.21 H new ATOM 0 HG23 VAL A 36 -1.250 -0.792 -12.943 1.00 1.21 H new ATOM 533 N SER A 37 -4.704 1.155 -9.719 1.00 0.35 N ATOM 534 CA SER A 37 -5.839 1.972 -9.316 1.00 0.35 C ATOM 535 C SER A 37 -5.620 3.412 -9.782 1.00 0.40 C ATOM 536 O SER A 37 -4.971 3.643 -10.802 1.00 0.72 O ATOM 537 CB SER A 37 -6.010 1.910 -7.793 1.00 0.36 C ATOM 538 OG SER A 37 -7.203 2.550 -7.380 1.00 1.35 O ATOM 0 H SER A 37 -4.070 0.911 -8.958 1.00 0.35 H new ATOM 0 HA SER A 37 -6.750 1.591 -9.778 1.00 0.35 H new ATOM 0 HB2 SER A 37 -6.023 0.869 -7.469 1.00 0.36 H new ATOM 0 HB3 SER A 37 -5.155 2.384 -7.310 1.00 0.36 H new ATOM 0 HG SER A 37 -7.284 2.492 -6.405 1.00 1.35 H new ATOM 544 N SER A 38 -6.139 4.379 -9.033 1.00 0.43 N ATOM 545 CA SER A 38 -5.968 5.783 -9.384 1.00 0.45 C ATOM 546 C SER A 38 -5.522 6.583 -8.165 1.00 0.47 C ATOM 547 O SER A 38 -5.262 6.016 -7.106 1.00 0.70 O ATOM 548 CB SER A 38 -7.260 6.358 -9.970 1.00 0.50 C ATOM 549 OG SER A 38 -8.357 6.153 -9.101 1.00 1.19 O ATOM 0 H SER A 38 -6.679 4.217 -8.183 1.00 0.43 H new ATOM 0 HA SER A 38 -5.192 5.856 -10.146 1.00 0.45 H new ATOM 0 HB2 SER A 38 -7.134 7.425 -10.154 1.00 0.50 H new ATOM 0 HB3 SER A 38 -7.464 5.890 -10.933 1.00 0.50 H new ATOM 0 HG SER A 38 -8.028 5.931 -8.205 1.00 1.19 H new ATOM 555 N PHE A 39 -5.419 7.896 -8.323 1.00 0.38 N ATOM 556 CA PHE A 39 -4.987 8.761 -7.228 1.00 0.43 C ATOM 557 C PHE A 39 -6.166 9.279 -6.410 1.00 0.40 C ATOM 558 O PHE A 39 -7.106 9.866 -6.947 1.00 0.65 O ATOM 559 CB PHE A 39 -4.147 9.926 -7.764 1.00 0.59 C ATOM 560 CG PHE A 39 -4.505 10.351 -9.160 1.00 1.42 C ATOM 561 CD1 PHE A 39 -5.796 10.741 -9.480 1.00 1.93 C ATOM 562 CD2 PHE A 39 -3.542 10.357 -10.155 1.00 2.21 C ATOM 563 CE1 PHE A 39 -6.117 11.128 -10.766 1.00 2.75 C ATOM 564 CE2 PHE A 39 -3.858 10.742 -11.442 1.00 3.01 C ATOM 565 CZ PHE A 39 -5.147 11.128 -11.749 1.00 3.17 C ATOM 0 H PHE A 39 -5.627 8.386 -9.193 1.00 0.38 H new ATOM 0 HA PHE A 39 -4.370 8.160 -6.561 1.00 0.43 H new ATOM 0 HB2 PHE A 39 -4.261 10.779 -7.096 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -3.095 9.642 -7.741 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -6.559 10.742 -8.715 1.00 1.93 H new ATOM 0 HD2 PHE A 39 -2.531 10.057 -9.921 1.00 2.21 H new ATOM 0 HE1 PHE A 39 -7.126 11.431 -11.003 1.00 2.75 H new ATOM 0 HE2 PHE A 39 -3.097 10.741 -12.208 1.00 3.01 H new ATOM 0 HZ PHE A 39 -5.397 11.429 -12.756 1.00 3.17 H new ATOM 575 N TYR A 40 -6.103 9.053 -5.100 1.00 0.38 N ATOM 576 CA TYR A 40 -7.157 9.492 -4.190 1.00 0.37 C ATOM 577 C TYR A 40 -6.583 10.357 -3.074 1.00 0.40 C ATOM 578 O TYR A 40 -5.653 9.948 -2.381 1.00 0.53 O ATOM 579 CB TYR A 40 -7.869 8.291 -3.560 1.00 0.44 C ATOM 580 CG TYR A 40 -8.462 7.316 -4.552 1.00 0.49 C ATOM 581 CD1 TYR A 40 -7.652 6.471 -5.298 1.00 0.49 C ATOM 582 CD2 TYR A 40 -9.836 7.236 -4.735 1.00 0.59 C ATOM 583 CE1 TYR A 40 -8.194 5.573 -6.197 1.00 0.57 C ATOM 584 CE2 TYR A 40 -10.385 6.343 -5.633 1.00 0.67 C ATOM 585 CZ TYR A 40 -9.562 5.514 -6.360 1.00 0.66 C ATOM 586 OH TYR A 40 -10.106 4.622 -7.253 1.00 0.76 O ATOM 0 H TYR A 40 -5.331 8.567 -4.644 1.00 0.38 H new ATOM 0 HA TYR A 40 -7.870 10.074 -4.775 1.00 0.37 H new ATOM 0 HB2 TYR A 40 -7.161 7.758 -2.926 1.00 0.44 H new ATOM 0 HB3 TYR A 40 -8.665 8.657 -2.911 1.00 0.44 H new ATOM 0 HD1 TYR A 40 -6.580 6.516 -5.174 1.00 0.49 H new ATOM 0 HD2 TYR A 40 -10.486 7.883 -4.165 1.00 0.59 H new ATOM 0 HE1 TYR A 40 -7.550 4.921 -6.769 1.00 0.57 H new ATOM 0 HE2 TYR A 40 -11.456 6.295 -5.764 1.00 0.67 H new ATOM 0 HH TYR A 40 -9.745 4.794 -8.148 1.00 0.76 H new ATOM 596 N ARG A 41 -7.148 11.544 -2.885 1.00 0.43 N ATOM 597 CA ARG A 41 -6.684 12.432 -1.829 1.00 0.50 C ATOM 598 C ARG A 41 -7.366 12.071 -0.515 1.00 0.54 C ATOM 599 O ARG A 41 -8.565 11.792 -0.484 1.00 0.67 O ATOM 600 CB ARG A 41 -6.958 13.895 -2.173 1.00 0.66 C ATOM 601 CG ARG A 41 -5.993 14.853 -1.493 1.00 0.69 C ATOM 602 CD ARG A 41 -6.381 16.303 -1.715 1.00 0.94 C ATOM 603 NE ARG A 41 -7.440 16.730 -0.809 1.00 1.56 N ATOM 604 CZ ARG A 41 -7.913 17.970 -0.765 1.00 2.07 C ATOM 605 NH1 ARG A 41 -7.453 18.887 -1.604 1.00 2.32 N ATOM 606 NH2 ARG A 41 -8.850 18.293 0.113 1.00 2.95 N ATOM 0 H ARG A 41 -7.920 11.910 -3.443 1.00 0.43 H new ATOM 0 HA ARG A 41 -5.606 12.306 -1.728 1.00 0.50 H new ATOM 0 HB2 ARG A 41 -6.893 14.027 -3.253 1.00 0.66 H new ATOM 0 HB3 ARG A 41 -7.978 14.147 -1.882 1.00 0.66 H new ATOM 0 HG2 ARG A 41 -5.968 14.644 -0.424 1.00 0.69 H new ATOM 0 HG3 ARG A 41 -4.986 14.685 -1.874 1.00 0.69 H new ATOM 0 HD2 ARG A 41 -5.506 16.938 -1.575 1.00 0.94 H new ATOM 0 HD3 ARG A 41 -6.710 16.437 -2.746 1.00 0.94 H new ATOM 0 HE ARG A 41 -7.839 16.039 -0.174 1.00 1.56 H new ATOM 0 HH11 ARG A 41 -6.735 18.641 -2.285 1.00 2.32 H new ATOM 0 HH12 ARG A 41 -7.817 19.839 -1.569 1.00 2.32 H new ATOM 0 HH21 ARG A 41 -9.210 17.589 0.757 1.00 2.95 H new ATOM 0 HH22 ARG A 41 -9.212 19.246 0.145 1.00 2.95 H new ATOM 620 N THR A 42 -6.595 12.059 0.563 1.00 0.61 N ATOM 621 CA THR A 42 -7.124 11.711 1.874 1.00 0.73 C ATOM 622 C THR A 42 -6.160 12.150 2.972 1.00 0.84 C ATOM 623 O THR A 42 -4.968 12.284 2.724 1.00 1.10 O ATOM 624 CB THR A 42 -7.351 10.197 1.944 1.00 0.81 C ATOM 625 OG1 THR A 42 -7.726 9.791 3.247 1.00 1.30 O ATOM 626 CG2 THR A 42 -6.132 9.389 1.550 1.00 1.28 C ATOM 0 H THR A 42 -5.601 12.286 0.556 1.00 0.61 H new ATOM 0 HA THR A 42 -8.072 12.227 2.025 1.00 0.73 H new ATOM 0 HB THR A 42 -8.151 10.002 1.229 1.00 0.81 H new ATOM 0 HG1 THR A 42 -7.414 8.876 3.407 1.00 1.30 H new ATOM 0 HG21 THR A 42 -6.361 8.326 1.622 1.00 1.28 H new ATOM 0 HG22 THR A 42 -5.851 9.631 0.525 1.00 1.28 H new ATOM 0 HG23 THR A 42 -5.305 9.628 2.219 1.00 1.28 H new ATOM 634 N PRO A 43 -6.654 12.387 4.202 1.00 0.74 N ATOM 635 CA PRO A 43 -5.807 12.805 5.317 1.00 0.86 C ATOM 636 C PRO A 43 -4.967 11.646 5.850 1.00 0.90 C ATOM 637 O PRO A 43 -5.485 10.550 6.072 1.00 0.94 O ATOM 638 CB PRO A 43 -6.800 13.274 6.391 1.00 0.98 C ATOM 639 CG PRO A 43 -8.149 13.252 5.745 1.00 0.87 C ATOM 640 CD PRO A 43 -8.059 12.275 4.609 1.00 0.71 C ATOM 0 HA PRO A 43 -5.100 13.579 5.019 1.00 0.86 H new ATOM 0 HB2 PRO A 43 -6.773 12.617 7.260 1.00 0.98 H new ATOM 0 HB3 PRO A 43 -6.552 14.276 6.741 1.00 0.98 H new ATOM 0 HG2 PRO A 43 -8.916 12.949 6.458 1.00 0.87 H new ATOM 0 HG3 PRO A 43 -8.423 14.243 5.384 1.00 0.87 H new ATOM 0 HD2 PRO A 43 -8.310 11.262 4.924 1.00 0.71 H new ATOM 0 HD3 PRO A 43 -8.738 12.534 3.797 1.00 0.71 H new ATOM 648 N PRO A 44 -3.657 11.864 6.071 1.00 0.98 N ATOM 649 CA PRO A 44 -2.770 10.827 6.587 1.00 1.12 C ATOM 650 C PRO A 44 -2.955 10.628 8.084 1.00 1.19 C ATOM 651 O PRO A 44 -3.767 11.307 8.709 1.00 2.06 O ATOM 652 CB PRO A 44 -1.356 11.356 6.296 1.00 1.28 C ATOM 653 CG PRO A 44 -1.528 12.676 5.609 1.00 1.18 C ATOM 654 CD PRO A 44 -2.942 13.125 5.852 1.00 1.03 C ATOM 0 HA PRO A 44 -2.969 9.860 6.125 1.00 1.12 H new ATOM 0 HB2 PRO A 44 -0.787 11.470 7.219 1.00 1.28 H new ATOM 0 HB3 PRO A 44 -0.804 10.660 5.665 1.00 1.28 H new ATOM 0 HG2 PRO A 44 -0.820 13.407 5.999 1.00 1.18 H new ATOM 0 HG3 PRO A 44 -1.333 12.582 4.541 1.00 1.18 H new ATOM 0 HD2 PRO A 44 -3.013 13.784 6.717 1.00 1.03 H new ATOM 0 HD3 PRO A 44 -3.343 13.673 5.000 1.00 1.03 H new ATOM 662 N LEU A 45 -2.193 9.705 8.656 1.00 0.99 N ATOM 663 CA LEU A 45 -2.267 9.436 10.086 1.00 1.03 C ATOM 664 C LEU A 45 -0.871 9.240 10.663 1.00 1.08 C ATOM 665 O LEU A 45 -0.352 8.124 10.686 1.00 1.32 O ATOM 666 CB LEU A 45 -3.126 8.201 10.383 1.00 1.15 C ATOM 667 CG LEU A 45 -4.625 8.353 10.108 1.00 1.53 C ATOM 668 CD1 LEU A 45 -4.924 8.219 8.624 1.00 1.83 C ATOM 669 CD2 LEU A 45 -5.415 7.327 10.906 1.00 2.21 C ATOM 0 H LEU A 45 -1.517 9.131 8.152 1.00 0.99 H new ATOM 0 HA LEU A 45 -2.736 10.300 10.557 1.00 1.03 H new ATOM 0 HB2 LEU A 45 -2.749 7.368 9.790 1.00 1.15 H new ATOM 0 HB3 LEU A 45 -2.993 7.932 11.431 1.00 1.15 H new ATOM 0 HG LEU A 45 -4.929 9.351 10.423 1.00 1.53 H new ATOM 0 HD11 LEU A 45 -5.995 8.331 8.457 1.00 1.83 H new ATOM 0 HD12 LEU A 45 -4.388 8.992 8.074 1.00 1.83 H new ATOM 0 HD13 LEU A 45 -4.603 7.237 8.275 1.00 1.83 H new ATOM 0 HD21 LEU A 45 -6.479 7.447 10.701 1.00 2.21 H new ATOM 0 HD22 LEU A 45 -5.101 6.323 10.620 1.00 2.21 H new ATOM 0 HD23 LEU A 45 -5.232 7.475 11.970 1.00 2.21 H new ATOM 681 N GLY A 46 -0.265 10.329 11.125 1.00 1.09 N ATOM 682 CA GLY A 46 1.067 10.242 11.692 1.00 1.18 C ATOM 683 C GLY A 46 1.706 11.601 11.914 1.00 1.11 C ATOM 684 O GLY A 46 1.005 12.601 12.077 1.00 1.19 O ATOM 0 H GLY A 46 -0.670 11.265 11.117 1.00 1.09 H new ATOM 0 HA2 GLY A 46 1.018 9.710 12.642 1.00 1.18 H new ATOM 0 HA3 GLY A 46 1.700 9.652 11.029 1.00 1.18 H new ATOM 688 N PRO A 47 3.051 11.663 11.939 1.00 1.12 N ATOM 689 CA PRO A 47 3.791 12.911 12.156 1.00 1.16 C ATOM 690 C PRO A 47 3.738 13.845 10.945 1.00 1.14 C ATOM 691 O PRO A 47 2.708 14.467 10.696 1.00 1.99 O ATOM 692 CB PRO A 47 5.231 12.442 12.433 1.00 1.36 C ATOM 693 CG PRO A 47 5.161 10.954 12.560 1.00 1.39 C ATOM 694 CD PRO A 47 3.960 10.526 11.772 1.00 1.26 C ATOM 0 HA PRO A 47 3.366 13.496 12.971 1.00 1.16 H new ATOM 0 HB2 PRO A 47 5.899 12.734 11.623 1.00 1.36 H new ATOM 0 HB3 PRO A 47 5.620 12.894 13.345 1.00 1.36 H new ATOM 0 HG2 PRO A 47 6.067 10.487 12.174 1.00 1.39 H new ATOM 0 HG3 PRO A 47 5.069 10.656 13.604 1.00 1.39 H new ATOM 0 HD2 PRO A 47 4.203 10.351 10.724 1.00 1.26 H new ATOM 0 HD3 PRO A 47 3.529 9.602 12.158 1.00 1.26 H new ATOM 702 N GLN A 48 4.851 13.944 10.198 1.00 0.95 N ATOM 703 CA GLN A 48 4.931 14.811 9.015 1.00 0.84 C ATOM 704 C GLN A 48 4.170 16.124 9.241 1.00 0.90 C ATOM 705 O GLN A 48 4.428 16.824 10.218 1.00 1.04 O ATOM 706 CB GLN A 48 4.415 14.072 7.772 1.00 0.83 C ATOM 707 CG GLN A 48 2.999 13.540 7.910 1.00 1.00 C ATOM 708 CD GLN A 48 2.525 12.813 6.673 1.00 1.29 C ATOM 709 OE1 GLN A 48 2.502 13.375 5.581 1.00 2.23 O ATOM 710 NE2 GLN A 48 2.137 11.556 6.839 1.00 1.15 N ATOM 0 H GLN A 48 5.710 13.431 10.396 1.00 0.95 H new ATOM 0 HA GLN A 48 5.977 15.066 8.846 1.00 0.84 H new ATOM 0 HB2 GLN A 48 4.456 14.748 6.918 1.00 0.83 H new ATOM 0 HB3 GLN A 48 5.084 13.240 7.553 1.00 0.83 H new ATOM 0 HG2 GLN A 48 2.951 12.864 8.764 1.00 1.00 H new ATOM 0 HG3 GLN A 48 2.323 14.369 8.121 1.00 1.00 H new ATOM 0 HE21 GLN A 48 2.173 11.129 7.765 1.00 1.15 H new ATOM 0 HE22 GLN A 48 1.802 11.016 6.041 1.00 1.15 H new ATOM 719 N ASP A 49 3.228 16.454 8.356 1.00 0.99 N ATOM 720 CA ASP A 49 2.443 17.677 8.506 1.00 1.16 C ATOM 721 C ASP A 49 0.981 17.417 8.162 1.00 1.20 C ATOM 722 O ASP A 49 0.131 18.295 8.318 1.00 1.33 O ATOM 723 CB ASP A 49 2.997 18.799 7.628 1.00 1.28 C ATOM 724 CG ASP A 49 2.802 18.534 6.151 1.00 1.51 C ATOM 725 OD1 ASP A 49 3.336 17.525 5.656 1.00 1.81 O ATOM 726 OD2 ASP A 49 2.110 19.337 5.491 1.00 1.70 O ATOM 0 H ASP A 49 2.993 15.896 7.535 1.00 0.99 H new ATOM 0 HA ASP A 49 2.512 17.993 9.547 1.00 1.16 H new ATOM 0 HB2 ASP A 49 2.508 19.737 7.892 1.00 1.28 H new ATOM 0 HB3 ASP A 49 4.060 18.924 7.833 1.00 1.28 H new ATOM 731 N GLN A 50 0.698 16.201 7.705 1.00 1.19 N ATOM 732 CA GLN A 50 -0.661 15.802 7.348 1.00 1.31 C ATOM 733 C GLN A 50 -1.271 16.740 6.298 1.00 1.33 C ATOM 734 O GLN A 50 -2.335 17.316 6.522 1.00 1.40 O ATOM 735 CB GLN A 50 -1.540 15.788 8.601 1.00 1.42 C ATOM 736 CG GLN A 50 -0.930 15.026 9.766 1.00 1.67 C ATOM 737 CD GLN A 50 -0.798 13.544 9.492 1.00 1.43 C ATOM 738 OE1 GLN A 50 -1.793 12.851 9.299 1.00 2.03 O ATOM 739 NE2 GLN A 50 0.431 13.048 9.471 1.00 1.24 N ATOM 0 H GLN A 50 1.397 15.470 7.572 1.00 1.19 H new ATOM 0 HA GLN A 50 -0.614 14.803 6.916 1.00 1.31 H new ATOM 0 HB2 GLN A 50 -1.732 16.815 8.911 1.00 1.42 H new ATOM 0 HB3 GLN A 50 -2.504 15.344 8.353 1.00 1.42 H new ATOM 0 HG2 GLN A 50 0.054 15.439 9.989 1.00 1.67 H new ATOM 0 HG3 GLN A 50 -1.546 15.173 10.653 1.00 1.67 H new ATOM 0 HE21 GLN A 50 1.231 13.659 9.637 1.00 1.24 H new ATOM 0 HE22 GLN A 50 0.577 12.055 9.289 1.00 1.24 H new ATOM 748 N PRO A 51 -0.613 16.907 5.132 1.00 1.35 N ATOM 749 CA PRO A 51 -1.116 17.775 4.065 1.00 1.46 C ATOM 750 C PRO A 51 -2.165 17.080 3.199 1.00 1.54 C ATOM 751 O PRO A 51 -2.953 16.277 3.695 1.00 2.26 O ATOM 752 CB PRO A 51 0.142 18.075 3.257 1.00 1.52 C ATOM 753 CG PRO A 51 0.981 16.852 3.402 1.00 1.53 C ATOM 754 CD PRO A 51 0.663 16.265 4.756 1.00 1.37 C ATOM 0 HA PRO A 51 -1.618 18.663 4.449 1.00 1.46 H new ATOM 0 HB2 PRO A 51 -0.096 18.271 2.211 1.00 1.52 H new ATOM 0 HB3 PRO A 51 0.657 18.957 3.638 1.00 1.52 H new ATOM 0 HG2 PRO A 51 0.762 16.137 2.609 1.00 1.53 H new ATOM 0 HG3 PRO A 51 2.040 17.098 3.326 1.00 1.53 H new ATOM 0 HD2 PRO A 51 0.565 15.180 4.708 1.00 1.37 H new ATOM 0 HD3 PRO A 51 1.448 16.483 5.480 1.00 1.37 H new ATOM 762 N ASP A 52 -2.167 17.393 1.903 1.00 1.24 N ATOM 763 CA ASP A 52 -3.119 16.794 0.972 1.00 1.23 C ATOM 764 C ASP A 52 -3.049 15.276 1.039 1.00 0.91 C ATOM 765 O ASP A 52 -4.055 14.611 1.282 1.00 1.55 O ATOM 766 CB ASP A 52 -2.835 17.261 -0.452 1.00 1.67 C ATOM 767 CG ASP A 52 -2.850 18.769 -0.571 1.00 2.16 C ATOM 768 OD1 ASP A 52 -3.887 19.380 -0.245 1.00 2.69 O ATOM 769 OD2 ASP A 52 -1.821 19.340 -0.988 1.00 2.56 O ATOM 0 H ASP A 52 -1.521 18.057 1.476 1.00 1.24 H new ATOM 0 HA ASP A 52 -4.121 17.113 1.258 1.00 1.23 H new ATOM 0 HB2 ASP A 52 -1.864 16.883 -0.770 1.00 1.67 H new ATOM 0 HB3 ASP A 52 -3.579 16.837 -1.127 1.00 1.67 H new ATOM 774 N TYR A 53 -1.847 14.741 0.837 1.00 0.76 N ATOM 775 CA TYR A 53 -1.623 13.302 0.894 1.00 1.08 C ATOM 776 C TYR A 53 -2.352 12.563 -0.227 1.00 0.87 C ATOM 777 O TYR A 53 -3.568 12.680 -0.380 1.00 0.98 O ATOM 778 CB TYR A 53 -2.067 12.774 2.258 1.00 1.83 C ATOM 779 CG TYR A 53 -1.876 11.290 2.446 1.00 2.62 C ATOM 780 CD1 TYR A 53 -0.760 10.642 1.941 1.00 3.32 C ATOM 781 CD2 TYR A 53 -2.816 10.541 3.135 1.00 3.26 C ATOM 782 CE1 TYR A 53 -0.589 9.287 2.119 1.00 4.46 C ATOM 783 CE2 TYR A 53 -2.653 9.188 3.318 1.00 4.34 C ATOM 784 CZ TYR A 53 -1.539 8.565 2.808 1.00 4.90 C ATOM 785 OH TYR A 53 -1.373 7.214 2.990 1.00 6.13 O ATOM 0 H TYR A 53 -1.011 15.287 0.632 1.00 0.76 H new ATOM 0 HA TYR A 53 -0.557 13.119 0.756 1.00 1.08 H new ATOM 0 HB2 TYR A 53 -1.513 13.300 3.035 1.00 1.83 H new ATOM 0 HB3 TYR A 53 -3.121 13.013 2.401 1.00 1.83 H new ATOM 0 HD1 TYR A 53 -0.015 11.207 1.401 1.00 3.32 H new ATOM 0 HD2 TYR A 53 -3.693 11.029 3.536 1.00 3.26 H new ATOM 0 HE1 TYR A 53 0.285 8.793 1.721 1.00 4.46 H new ATOM 0 HE2 TYR A 53 -3.395 8.619 3.859 1.00 4.34 H new ATOM 0 HH TYR A 53 -2.132 6.856 3.497 1.00 6.13 H new ATOM 795 N LEU A 54 -1.591 11.794 -1.003 1.00 0.72 N ATOM 796 CA LEU A 54 -2.148 11.023 -2.107 1.00 0.59 C ATOM 797 C LEU A 54 -1.951 9.531 -1.861 1.00 0.61 C ATOM 798 O LEU A 54 -0.874 9.099 -1.452 1.00 0.88 O ATOM 799 CB LEU A 54 -1.481 11.427 -3.424 1.00 0.60 C ATOM 800 CG LEU A 54 -2.121 10.844 -4.684 1.00 0.54 C ATOM 801 CD1 LEU A 54 -3.542 11.357 -4.842 1.00 0.92 C ATOM 802 CD2 LEU A 54 -1.288 11.187 -5.911 1.00 1.10 C ATOM 0 H LEU A 54 -0.583 11.690 -0.885 1.00 0.72 H new ATOM 0 HA LEU A 54 -3.216 11.232 -2.173 1.00 0.59 H new ATOM 0 HB2 LEU A 54 -1.493 12.514 -3.500 1.00 0.60 H new ATOM 0 HB3 LEU A 54 -0.435 11.121 -3.392 1.00 0.60 H new ATOM 0 HG LEU A 54 -2.156 9.759 -4.585 1.00 0.54 H new ATOM 0 HD11 LEU A 54 -3.984 10.933 -5.744 1.00 0.92 H new ATOM 0 HD12 LEU A 54 -4.134 11.063 -3.975 1.00 0.92 H new ATOM 0 HD13 LEU A 54 -3.530 12.444 -4.921 1.00 0.92 H new ATOM 0 HD21 LEU A 54 -1.758 10.764 -6.799 1.00 1.10 H new ATOM 0 HD22 LEU A 54 -1.223 12.270 -6.015 1.00 1.10 H new ATOM 0 HD23 LEU A 54 -0.286 10.772 -5.798 1.00 1.10 H new ATOM 814 N ASN A 55 -2.996 8.746 -2.103 1.00 0.50 N ATOM 815 CA ASN A 55 -2.927 7.305 -1.896 1.00 0.58 C ATOM 816 C ASN A 55 -3.411 6.548 -3.128 1.00 0.57 C ATOM 817 O ASN A 55 -4.341 6.979 -3.809 1.00 0.70 O ATOM 818 CB ASN A 55 -3.756 6.912 -0.671 1.00 0.82 C ATOM 819 CG ASN A 55 -3.652 5.436 -0.350 1.00 1.80 C ATOM 820 OD1 ASN A 55 -4.064 4.585 -1.136 1.00 2.63 O ATOM 821 ND2 ASN A 55 -3.094 5.126 0.813 1.00 2.49 N ATOM 0 H ASN A 55 -3.897 9.083 -2.441 1.00 0.50 H new ATOM 0 HA ASN A 55 -1.885 7.034 -1.724 1.00 0.58 H new ATOM 0 HB2 ASN A 55 -3.424 7.492 0.190 1.00 0.82 H new ATOM 0 HB3 ASN A 55 -4.801 7.170 -0.845 1.00 0.82 H new ATOM 0 HD21 ASN A 55 -2.993 4.148 1.086 1.00 2.49 H new ATOM 0 HD22 ASN A 55 -2.766 5.865 1.434 1.00 2.49 H new ATOM 828 N ALA A 56 -2.768 5.418 -3.410 1.00 0.51 N ATOM 829 CA ALA A 56 -3.127 4.597 -4.562 1.00 0.57 C ATOM 830 C ALA A 56 -2.542 3.194 -4.444 1.00 0.54 C ATOM 831 O ALA A 56 -1.330 3.028 -4.304 1.00 0.75 O ATOM 832 CB ALA A 56 -2.652 5.258 -5.847 1.00 0.61 C ATOM 0 H ALA A 56 -1.995 5.050 -2.856 1.00 0.51 H new ATOM 0 HA ALA A 56 -4.213 4.508 -4.587 1.00 0.57 H new ATOM 0 HB1 ALA A 56 -2.926 4.636 -6.699 1.00 0.61 H new ATOM 0 HB2 ALA A 56 -3.120 6.237 -5.947 1.00 0.61 H new ATOM 0 HB3 ALA A 56 -1.569 5.376 -5.817 1.00 0.61 H new ATOM 838 N ALA A 57 -3.407 2.188 -4.508 1.00 0.31 N ATOM 839 CA ALA A 57 -2.973 0.799 -4.415 1.00 0.29 C ATOM 840 C ALA A 57 -2.571 0.263 -5.782 1.00 0.29 C ATOM 841 O ALA A 57 -2.728 0.944 -6.795 1.00 0.39 O ATOM 842 CB ALA A 57 -4.073 -0.061 -3.816 1.00 0.33 C ATOM 0 H ALA A 57 -4.413 2.308 -4.624 1.00 0.31 H new ATOM 0 HA ALA A 57 -2.101 0.759 -3.762 1.00 0.29 H new ATOM 0 HB1 ALA A 57 -3.733 -1.095 -3.753 1.00 0.33 H new ATOM 0 HB2 ALA A 57 -4.316 0.302 -2.817 1.00 0.33 H new ATOM 0 HB3 ALA A 57 -4.960 -0.008 -4.447 1.00 0.33 H new ATOM 848 N VAL A 58 -2.054 -0.961 -5.806 1.00 0.26 N ATOM 849 CA VAL A 58 -1.632 -1.576 -7.058 1.00 0.27 C ATOM 850 C VAL A 58 -1.462 -3.088 -6.919 1.00 0.27 C ATOM 851 O VAL A 58 -0.802 -3.570 -5.998 1.00 0.28 O ATOM 852 CB VAL A 58 -0.319 -0.953 -7.568 1.00 0.31 C ATOM 853 CG1 VAL A 58 0.781 -1.069 -6.524 1.00 1.20 C ATOM 854 CG2 VAL A 58 0.106 -1.601 -8.875 1.00 0.98 C ATOM 0 H VAL A 58 -1.918 -1.543 -4.979 1.00 0.26 H new ATOM 0 HA VAL A 58 -2.422 -1.385 -7.784 1.00 0.27 H new ATOM 0 HB VAL A 58 -0.495 0.107 -7.752 1.00 0.31 H new ATOM 0 HG11 VAL A 58 1.697 -0.622 -6.909 1.00 1.20 H new ATOM 0 HG12 VAL A 58 0.477 -0.548 -5.616 1.00 1.20 H new ATOM 0 HG13 VAL A 58 0.958 -2.120 -6.297 1.00 1.20 H new ATOM 0 HG21 VAL A 58 1.035 -1.148 -9.220 1.00 0.98 H new ATOM 0 HG22 VAL A 58 0.259 -2.669 -8.719 1.00 0.98 H new ATOM 0 HG23 VAL A 58 -0.671 -1.451 -9.625 1.00 0.98 H new ATOM 864 N ALA A 59 -2.060 -3.829 -7.850 1.00 0.28 N ATOM 865 CA ALA A 59 -1.974 -5.285 -7.848 1.00 0.29 C ATOM 866 C ALA A 59 -0.714 -5.746 -8.572 1.00 0.31 C ATOM 867 O ALA A 59 -0.708 -5.903 -9.794 1.00 0.50 O ATOM 868 CB ALA A 59 -3.210 -5.893 -8.492 1.00 0.31 C ATOM 0 H ALA A 59 -2.610 -3.442 -8.617 1.00 0.28 H new ATOM 0 HA ALA A 59 -1.922 -5.625 -6.814 1.00 0.29 H new ATOM 0 HB1 ALA A 59 -3.128 -6.980 -8.482 1.00 0.31 H new ATOM 0 HB2 ALA A 59 -4.097 -5.590 -7.935 1.00 0.31 H new ATOM 0 HB3 ALA A 59 -3.292 -5.545 -9.522 1.00 0.31 H new ATOM 874 N LEU A 60 0.354 -5.944 -7.810 1.00 0.28 N ATOM 875 CA LEU A 60 1.631 -6.368 -8.370 1.00 0.28 C ATOM 876 C LEU A 60 1.716 -7.886 -8.491 1.00 0.30 C ATOM 877 O LEU A 60 2.003 -8.578 -7.514 1.00 0.33 O ATOM 878 CB LEU A 60 2.776 -5.856 -7.491 1.00 0.29 C ATOM 879 CG LEU A 60 4.183 -6.256 -7.943 1.00 0.29 C ATOM 880 CD1 LEU A 60 4.505 -5.647 -9.298 1.00 0.35 C ATOM 881 CD2 LEU A 60 5.213 -5.834 -6.908 1.00 0.31 C ATOM 0 H LEU A 60 0.361 -5.817 -6.798 1.00 0.28 H new ATOM 0 HA LEU A 60 1.714 -5.946 -9.372 1.00 0.28 H new ATOM 0 HB2 LEU A 60 2.722 -4.768 -7.451 1.00 0.29 H new ATOM 0 HB3 LEU A 60 2.622 -6.220 -6.475 1.00 0.29 H new ATOM 0 HG LEU A 60 4.217 -7.341 -8.041 1.00 0.29 H new ATOM 0 HD11 LEU A 60 5.509 -5.944 -9.601 1.00 0.35 H new ATOM 0 HD12 LEU A 60 3.784 -6.000 -10.036 1.00 0.35 H new ATOM 0 HD13 LEU A 60 4.453 -4.560 -9.230 1.00 0.35 H new ATOM 0 HD21 LEU A 60 6.208 -6.126 -7.245 1.00 0.31 H new ATOM 0 HD22 LEU A 60 5.177 -4.752 -6.778 1.00 0.31 H new ATOM 0 HD23 LEU A 60 4.994 -6.321 -5.958 1.00 0.31 H new ATOM 893 N GLU A 61 1.489 -8.401 -9.698 1.00 0.32 N ATOM 894 CA GLU A 61 1.571 -9.838 -9.930 1.00 0.36 C ATOM 895 C GLU A 61 3.015 -10.295 -9.762 1.00 0.34 C ATOM 896 O GLU A 61 3.802 -10.261 -10.709 1.00 0.36 O ATOM 897 CB GLU A 61 1.066 -10.193 -11.331 1.00 0.43 C ATOM 898 CG GLU A 61 1.105 -11.685 -11.626 1.00 0.52 C ATOM 899 CD GLU A 61 0.696 -12.015 -13.047 1.00 1.37 C ATOM 900 OE1 GLU A 61 0.436 -11.074 -13.827 1.00 1.88 O ATOM 901 OE2 GLU A 61 0.641 -13.215 -13.382 1.00 2.11 O ATOM 0 H GLU A 61 1.249 -7.849 -10.522 1.00 0.32 H new ATOM 0 HA GLU A 61 0.939 -10.349 -9.203 1.00 0.36 H new ATOM 0 HB2 GLU A 61 0.043 -9.835 -11.442 1.00 0.43 H new ATOM 0 HB3 GLU A 61 1.670 -9.668 -12.071 1.00 0.43 H new ATOM 0 HG2 GLU A 61 2.113 -12.060 -11.447 1.00 0.52 H new ATOM 0 HG3 GLU A 61 0.444 -12.205 -10.933 1.00 0.52 H new ATOM 908 N THR A 62 3.366 -10.685 -8.543 1.00 0.34 N ATOM 909 CA THR A 62 4.728 -11.106 -8.241 1.00 0.35 C ATOM 910 C THR A 62 4.778 -12.486 -7.594 1.00 0.39 C ATOM 911 O THR A 62 3.883 -12.869 -6.842 1.00 0.61 O ATOM 912 CB THR A 62 5.380 -10.083 -7.312 1.00 0.40 C ATOM 913 OG1 THR A 62 6.664 -10.517 -6.902 1.00 0.43 O ATOM 914 CG2 THR A 62 4.566 -9.811 -6.067 1.00 0.52 C ATOM 0 H THR A 62 2.727 -10.718 -7.748 1.00 0.34 H new ATOM 0 HA THR A 62 5.271 -11.167 -9.184 1.00 0.35 H new ATOM 0 HB THR A 62 5.447 -9.164 -7.895 1.00 0.40 H new ATOM 0 HG1 THR A 62 7.170 -10.825 -7.683 1.00 0.43 H new ATOM 0 HG21 THR A 62 5.082 -9.077 -5.448 1.00 0.52 H new ATOM 0 HG22 THR A 62 3.587 -9.424 -6.350 1.00 0.52 H new ATOM 0 HG23 THR A 62 4.442 -10.736 -5.504 1.00 0.52 H new ATOM 922 N SER A 63 5.854 -13.212 -7.879 1.00 0.37 N ATOM 923 CA SER A 63 6.066 -14.538 -7.317 1.00 0.48 C ATOM 924 C SER A 63 7.212 -14.490 -6.314 1.00 0.42 C ATOM 925 O SER A 63 7.556 -15.493 -5.690 1.00 0.45 O ATOM 926 CB SER A 63 6.378 -15.547 -8.425 1.00 0.69 C ATOM 927 OG SER A 63 5.317 -15.622 -9.360 1.00 1.22 O ATOM 0 H SER A 63 6.598 -12.899 -8.502 1.00 0.37 H new ATOM 0 HA SER A 63 5.155 -14.856 -6.809 1.00 0.48 H new ATOM 0 HB2 SER A 63 7.297 -15.259 -8.935 1.00 0.69 H new ATOM 0 HB3 SER A 63 6.551 -16.530 -7.987 1.00 0.69 H new ATOM 0 HG SER A 63 5.542 -16.272 -10.058 1.00 1.22 H new ATOM 933 N LEU A 64 7.797 -13.301 -6.173 1.00 0.37 N ATOM 934 CA LEU A 64 8.907 -13.083 -5.254 1.00 0.35 C ATOM 935 C LEU A 64 8.494 -13.450 -3.834 1.00 0.50 C ATOM 936 O LEU A 64 7.341 -13.254 -3.447 1.00 0.82 O ATOM 937 CB LEU A 64 9.354 -11.612 -5.332 1.00 0.49 C ATOM 938 CG LEU A 64 10.707 -11.270 -4.690 1.00 0.48 C ATOM 939 CD1 LEU A 64 10.615 -11.280 -3.175 1.00 0.90 C ATOM 940 CD2 LEU A 64 11.787 -12.233 -5.166 1.00 0.84 C ATOM 0 H LEU A 64 7.515 -12.468 -6.690 1.00 0.37 H new ATOM 0 HA LEU A 64 9.745 -13.721 -5.537 1.00 0.35 H new ATOM 0 HB2 LEU A 64 9.392 -11.323 -6.382 1.00 0.49 H new ATOM 0 HB3 LEU A 64 8.588 -10.997 -4.860 1.00 0.49 H new ATOM 0 HG LEU A 64 10.979 -10.262 -5.003 1.00 0.48 H new ATOM 0 HD11 LEU A 64 11.588 -11.034 -2.750 1.00 0.90 H new ATOM 0 HD12 LEU A 64 9.881 -10.543 -2.850 1.00 0.90 H new ATOM 0 HD13 LEU A 64 10.310 -12.270 -2.836 1.00 0.90 H new ATOM 0 HD21 LEU A 64 12.737 -11.973 -4.700 1.00 0.84 H new ATOM 0 HD22 LEU A 64 11.514 -13.251 -4.890 1.00 0.84 H new ATOM 0 HD23 LEU A 64 11.884 -12.164 -6.250 1.00 0.84 H new ATOM 952 N ALA A 65 9.442 -13.988 -3.067 1.00 0.58 N ATOM 953 CA ALA A 65 9.188 -14.392 -1.687 1.00 0.89 C ATOM 954 C ALA A 65 8.337 -13.358 -0.953 1.00 0.60 C ATOM 955 O ALA A 65 8.586 -12.158 -1.053 1.00 0.59 O ATOM 956 CB ALA A 65 10.501 -14.614 -0.953 1.00 1.41 C ATOM 0 H ALA A 65 10.398 -14.154 -3.382 1.00 0.58 H new ATOM 0 HA ALA A 65 8.631 -15.329 -1.708 1.00 0.89 H new ATOM 0 HB1 ALA A 65 10.297 -14.915 0.075 1.00 1.41 H new ATOM 0 HB2 ALA A 65 11.070 -15.397 -1.454 1.00 1.41 H new ATOM 0 HB3 ALA A 65 11.078 -13.690 -0.953 1.00 1.41 H new ATOM 962 N PRO A 66 7.311 -13.810 -0.208 1.00 0.50 N ATOM 963 CA PRO A 66 6.421 -12.913 0.536 1.00 0.40 C ATOM 964 C PRO A 66 7.167 -12.075 1.565 1.00 0.41 C ATOM 965 O PRO A 66 6.680 -11.034 1.998 1.00 0.62 O ATOM 966 CB PRO A 66 5.446 -13.864 1.241 1.00 0.47 C ATOM 967 CG PRO A 66 5.526 -15.140 0.477 1.00 0.75 C ATOM 968 CD PRO A 66 6.933 -15.225 -0.036 1.00 0.64 C ATOM 0 HA PRO A 66 5.935 -12.196 -0.125 1.00 0.40 H new ATOM 0 HB2 PRO A 66 5.725 -14.011 2.284 1.00 0.47 H new ATOM 0 HB3 PRO A 66 4.432 -13.464 1.235 1.00 0.47 H new ATOM 0 HG2 PRO A 66 5.291 -15.992 1.114 1.00 0.75 H new ATOM 0 HG3 PRO A 66 4.810 -15.149 -0.344 1.00 0.75 H new ATOM 0 HD2 PRO A 66 7.589 -15.735 0.669 1.00 0.64 H new ATOM 0 HD3 PRO A 66 6.987 -15.774 -0.976 1.00 0.64 H new ATOM 976 N GLU A 67 8.342 -12.548 1.963 1.00 0.40 N ATOM 977 CA GLU A 67 9.150 -11.853 2.959 1.00 0.44 C ATOM 978 C GLU A 67 10.074 -10.814 2.333 1.00 0.37 C ATOM 979 O GLU A 67 10.350 -9.777 2.939 1.00 0.40 O ATOM 980 CB GLU A 67 9.971 -12.864 3.760 1.00 0.57 C ATOM 981 CG GLU A 67 10.832 -13.772 2.895 1.00 0.65 C ATOM 982 CD GLU A 67 11.600 -14.796 3.708 1.00 0.80 C ATOM 983 OE1 GLU A 67 11.481 -14.779 4.950 1.00 1.28 O ATOM 984 OE2 GLU A 67 12.321 -15.613 3.100 1.00 1.19 O ATOM 0 H GLU A 67 8.757 -13.411 1.611 1.00 0.40 H new ATOM 0 HA GLU A 67 8.465 -11.323 3.621 1.00 0.44 H new ATOM 0 HB2 GLU A 67 10.612 -12.326 4.458 1.00 0.57 H new ATOM 0 HB3 GLU A 67 9.295 -13.478 4.356 1.00 0.57 H new ATOM 0 HG2 GLU A 67 10.198 -14.288 2.173 1.00 0.65 H new ATOM 0 HG3 GLU A 67 11.535 -13.165 2.325 1.00 0.65 H new ATOM 991 N GLU A 68 10.563 -11.095 1.132 1.00 0.34 N ATOM 992 CA GLU A 68 11.469 -10.176 0.456 1.00 0.31 C ATOM 993 C GLU A 68 10.710 -9.186 -0.427 1.00 0.29 C ATOM 994 O GLU A 68 11.240 -8.131 -0.776 1.00 0.30 O ATOM 995 CB GLU A 68 12.492 -10.953 -0.376 1.00 0.37 C ATOM 996 CG GLU A 68 13.537 -10.067 -1.036 1.00 0.34 C ATOM 997 CD GLU A 68 14.571 -10.857 -1.815 1.00 0.53 C ATOM 998 OE1 GLU A 68 14.472 -12.102 -1.842 1.00 1.21 O ATOM 999 OE2 GLU A 68 15.479 -10.231 -2.399 1.00 1.02 O ATOM 0 H GLU A 68 10.350 -11.945 0.610 1.00 0.34 H new ATOM 0 HA GLU A 68 11.993 -9.604 1.222 1.00 0.31 H new ATOM 0 HB2 GLU A 68 12.994 -11.678 0.265 1.00 0.37 H new ATOM 0 HB3 GLU A 68 11.968 -11.518 -1.146 1.00 0.37 H new ATOM 0 HG2 GLU A 68 13.041 -9.366 -1.707 1.00 0.34 H new ATOM 0 HG3 GLU A 68 14.040 -9.475 -0.271 1.00 0.34 H new ATOM 1006 N LEU A 69 9.470 -9.523 -0.780 1.00 0.32 N ATOM 1007 CA LEU A 69 8.656 -8.645 -1.618 1.00 0.36 C ATOM 1008 C LEU A 69 8.558 -7.265 -0.982 1.00 0.35 C ATOM 1009 O LEU A 69 9.012 -6.275 -1.556 1.00 0.41 O ATOM 1010 CB LEU A 69 7.257 -9.243 -1.826 1.00 0.42 C ATOM 1011 CG LEU A 69 6.433 -8.638 -2.975 1.00 0.54 C ATOM 1012 CD1 LEU A 69 6.041 -7.198 -2.680 1.00 1.08 C ATOM 1013 CD2 LEU A 69 7.206 -8.718 -4.283 1.00 1.51 C ATOM 0 H LEU A 69 9.011 -10.390 -0.501 1.00 0.32 H new ATOM 0 HA LEU A 69 9.133 -8.549 -2.593 1.00 0.36 H new ATOM 0 HB2 LEU A 69 7.363 -10.313 -2.005 1.00 0.42 H new ATOM 0 HB3 LEU A 69 6.693 -9.129 -0.900 1.00 0.42 H new ATOM 0 HG LEU A 69 5.517 -9.221 -3.070 1.00 0.54 H new ATOM 0 HD11 LEU A 69 5.460 -6.801 -3.512 1.00 1.08 H new ATOM 0 HD12 LEU A 69 5.442 -7.163 -1.770 1.00 1.08 H new ATOM 0 HD13 LEU A 69 6.940 -6.596 -2.546 1.00 1.08 H new ATOM 0 HD21 LEU A 69 6.609 -8.286 -5.086 1.00 1.51 H new ATOM 0 HD22 LEU A 69 8.140 -8.165 -4.188 1.00 1.51 H new ATOM 0 HD23 LEU A 69 7.423 -9.761 -4.514 1.00 1.51 H new ATOM 1025 N LEU A 70 7.979 -7.208 0.213 1.00 0.33 N ATOM 1026 CA LEU A 70 7.844 -5.950 0.934 1.00 0.39 C ATOM 1027 C LEU A 70 9.217 -5.327 1.128 1.00 0.42 C ATOM 1028 O LEU A 70 9.373 -4.108 1.073 1.00 0.61 O ATOM 1029 CB LEU A 70 7.157 -6.187 2.286 1.00 0.44 C ATOM 1030 CG LEU A 70 6.948 -4.948 3.165 1.00 0.58 C ATOM 1031 CD1 LEU A 70 5.822 -5.193 4.157 1.00 1.16 C ATOM 1032 CD2 LEU A 70 8.225 -4.593 3.913 1.00 1.01 C ATOM 0 H LEU A 70 7.597 -8.018 0.701 1.00 0.33 H new ATOM 0 HA LEU A 70 7.226 -5.264 0.355 1.00 0.39 H new ATOM 0 HB2 LEU A 70 6.185 -6.644 2.101 1.00 0.44 H new ATOM 0 HB3 LEU A 70 7.747 -6.910 2.848 1.00 0.44 H new ATOM 0 HG LEU A 70 6.681 -4.113 2.517 1.00 0.58 H new ATOM 0 HD11 LEU A 70 5.683 -4.306 4.776 1.00 1.16 H new ATOM 0 HD12 LEU A 70 4.900 -5.406 3.616 1.00 1.16 H new ATOM 0 HD13 LEU A 70 6.075 -6.042 4.792 1.00 1.16 H new ATOM 0 HD21 LEU A 70 8.052 -3.711 4.530 1.00 1.01 H new ATOM 0 HD22 LEU A 70 8.519 -5.428 4.549 1.00 1.01 H new ATOM 0 HD23 LEU A 70 9.020 -4.385 3.197 1.00 1.01 H new ATOM 1044 N ASN A 71 10.214 -6.180 1.343 1.00 0.31 N ATOM 1045 CA ASN A 71 11.582 -5.725 1.535 1.00 0.35 C ATOM 1046 C ASN A 71 12.050 -4.935 0.316 1.00 0.38 C ATOM 1047 O ASN A 71 12.821 -3.982 0.439 1.00 0.45 O ATOM 1048 CB ASN A 71 12.505 -6.918 1.788 1.00 0.36 C ATOM 1049 CG ASN A 71 13.898 -6.495 2.200 1.00 1.06 C ATOM 1050 OD1 ASN A 71 14.618 -5.857 1.434 1.00 1.87 O ATOM 1051 ND2 ASN A 71 14.285 -6.843 3.421 1.00 1.53 N ATOM 0 H ASN A 71 10.097 -7.192 1.388 1.00 0.31 H new ATOM 0 HA ASN A 71 11.617 -5.070 2.406 1.00 0.35 H new ATOM 0 HB2 ASN A 71 12.075 -7.548 2.567 1.00 0.36 H new ATOM 0 HB3 ASN A 71 12.565 -7.525 0.885 1.00 0.36 H new ATOM 0 HD21 ASN A 71 15.212 -6.581 3.756 1.00 1.53 H new ATOM 0 HD22 ASN A 71 13.655 -7.373 4.024 1.00 1.53 H new ATOM 1058 N HIS A 72 11.557 -5.324 -0.859 1.00 0.35 N ATOM 1059 CA HIS A 72 11.901 -4.640 -2.100 1.00 0.42 C ATOM 1060 C HIS A 72 11.220 -3.283 -2.160 1.00 0.41 C ATOM 1061 O HIS A 72 11.857 -2.263 -2.416 1.00 0.43 O ATOM 1062 CB HIS A 72 11.474 -5.463 -3.317 1.00 0.51 C ATOM 1063 CG HIS A 72 12.298 -6.686 -3.548 1.00 1.07 C ATOM 1064 ND1 HIS A 72 13.665 -6.648 -3.707 1.00 2.09 N ATOM 1065 CD2 HIS A 72 11.940 -7.985 -3.669 1.00 1.39 C ATOM 1066 CE1 HIS A 72 14.115 -7.871 -3.919 1.00 2.99 C ATOM 1067 NE2 HIS A 72 13.088 -8.700 -3.900 1.00 2.56 N ATOM 0 H HIS A 72 10.918 -6.110 -0.975 1.00 0.35 H new ATOM 0 HA HIS A 72 12.983 -4.512 -2.118 1.00 0.42 H new ATOM 0 HB2 HIS A 72 10.432 -5.758 -3.194 1.00 0.51 H new ATOM 0 HB3 HIS A 72 11.524 -4.832 -4.204 1.00 0.51 H new ATOM 0 HD2 HIS A 72 10.939 -8.384 -3.597 1.00 1.39 H new ATOM 0 HE1 HIS A 72 15.147 -8.146 -4.080 1.00 2.99 H new ATOM 0 HE2 HIS A 72 13.140 -9.710 -4.035 1.00 2.56 H new ATOM 1076 N THR A 73 9.914 -3.286 -1.928 1.00 0.45 N ATOM 1077 CA THR A 73 9.125 -2.065 -1.956 1.00 0.49 C ATOM 1078 C THR A 73 9.690 -1.031 -0.989 1.00 0.46 C ATOM 1079 O THR A 73 9.478 0.170 -1.156 1.00 0.47 O ATOM 1080 CB THR A 73 7.670 -2.375 -1.608 1.00 0.58 C ATOM 1081 OG1 THR A 73 7.561 -2.848 -0.278 1.00 0.62 O ATOM 1082 CG2 THR A 73 7.053 -3.417 -2.515 1.00 0.66 C ATOM 0 H THR A 73 9.377 -4.127 -1.717 1.00 0.45 H new ATOM 0 HA THR A 73 9.170 -1.649 -2.963 1.00 0.49 H new ATOM 0 HB THR A 73 7.134 -1.435 -1.737 1.00 0.58 H new ATOM 0 HG1 THR A 73 8.440 -3.144 0.037 1.00 0.62 H new ATOM 0 HG21 THR A 73 6.020 -3.593 -2.217 1.00 0.66 H new ATOM 0 HG22 THR A 73 7.078 -3.063 -3.546 1.00 0.66 H new ATOM 0 HG23 THR A 73 7.617 -4.347 -2.437 1.00 0.66 H new ATOM 1090 N GLN A 74 10.417 -1.504 0.020 1.00 0.49 N ATOM 1091 CA GLN A 74 11.016 -0.620 1.012 1.00 0.49 C ATOM 1092 C GLN A 74 12.212 0.125 0.434 1.00 0.43 C ATOM 1093 O GLN A 74 12.353 1.332 0.631 1.00 0.45 O ATOM 1094 CB GLN A 74 11.452 -1.412 2.246 1.00 0.60 C ATOM 1095 CG GLN A 74 10.291 -1.985 3.035 1.00 0.65 C ATOM 1096 CD GLN A 74 9.367 -0.909 3.564 1.00 0.87 C ATOM 1097 OE1 GLN A 74 9.750 -0.111 4.419 1.00 1.66 O ATOM 1098 NE2 GLN A 74 8.145 -0.875 3.051 1.00 1.05 N ATOM 0 H GLN A 74 10.605 -2.495 0.171 1.00 0.49 H new ATOM 0 HA GLN A 74 10.259 0.109 1.303 1.00 0.49 H new ATOM 0 HB2 GLN A 74 12.106 -2.226 1.934 1.00 0.60 H new ATOM 0 HB3 GLN A 74 12.039 -0.763 2.896 1.00 0.60 H new ATOM 0 HG2 GLN A 74 9.725 -2.667 2.400 1.00 0.65 H new ATOM 0 HG3 GLN A 74 10.676 -2.572 3.869 1.00 0.65 H new ATOM 0 HE21 GLN A 74 7.870 -1.556 2.344 1.00 1.05 H new ATOM 0 HE22 GLN A 74 7.480 -0.167 3.364 1.00 1.05 H new ATOM 1107 N ARG A 75 13.076 -0.597 -0.274 1.00 0.44 N ATOM 1108 CA ARG A 75 14.257 0.015 -0.864 1.00 0.46 C ATOM 1109 C ARG A 75 13.855 0.983 -1.972 1.00 0.43 C ATOM 1110 O ARG A 75 14.661 1.801 -2.417 1.00 0.52 O ATOM 1111 CB ARG A 75 15.222 -1.057 -1.380 1.00 0.59 C ATOM 1112 CG ARG A 75 14.781 -1.740 -2.660 1.00 1.17 C ATOM 1113 CD ARG A 75 15.516 -1.178 -3.864 1.00 1.93 C ATOM 1114 NE ARG A 75 16.968 -1.281 -3.714 1.00 2.51 N ATOM 1115 CZ ARG A 75 17.626 -2.433 -3.607 1.00 2.97 C ATOM 1116 NH1 ARG A 75 16.971 -3.585 -3.661 1.00 3.08 N ATOM 1117 NH2 ARG A 75 18.943 -2.434 -3.455 1.00 3.82 N ATOM 0 H ARG A 75 12.980 -1.597 -0.451 1.00 0.44 H new ATOM 0 HA ARG A 75 14.778 0.584 -0.094 1.00 0.46 H new ATOM 0 HB2 ARG A 75 16.198 -0.600 -1.545 1.00 0.59 H new ATOM 0 HB3 ARG A 75 15.351 -1.813 -0.606 1.00 0.59 H new ATOM 0 HG2 ARG A 75 14.966 -2.812 -2.586 1.00 1.17 H new ATOM 0 HG3 ARG A 75 13.707 -1.610 -2.793 1.00 1.17 H new ATOM 0 HD2 ARG A 75 15.205 -1.713 -4.761 1.00 1.93 H new ATOM 0 HD3 ARG A 75 15.239 -0.133 -4.003 1.00 1.93 H new ATOM 0 HE ARG A 75 17.509 -0.417 -3.690 1.00 2.51 H new ATOM 0 HH11 ARG A 75 15.959 -3.591 -3.785 1.00 3.08 H new ATOM 0 HH12 ARG A 75 17.480 -4.465 -3.579 1.00 3.08 H new ATOM 0 HH21 ARG A 75 19.453 -1.551 -3.420 1.00 3.82 H new ATOM 0 HH22 ARG A 75 19.446 -3.317 -3.373 1.00 3.82 H new ATOM 1131 N ILE A 76 12.590 0.908 -2.391 1.00 0.43 N ATOM 1132 CA ILE A 76 12.076 1.804 -3.418 1.00 0.48 C ATOM 1133 C ILE A 76 11.952 3.210 -2.845 1.00 0.49 C ATOM 1134 O ILE A 76 12.137 4.204 -3.547 1.00 0.60 O ATOM 1135 CB ILE A 76 10.702 1.344 -3.952 1.00 0.53 C ATOM 1136 CG1 ILE A 76 10.821 -0.046 -4.583 1.00 0.62 C ATOM 1137 CG2 ILE A 76 10.159 2.350 -4.960 1.00 0.64 C ATOM 1138 CD1 ILE A 76 9.514 -0.583 -5.131 1.00 1.42 C ATOM 0 H ILE A 76 11.909 0.238 -2.034 1.00 0.43 H new ATOM 0 HA ILE A 76 12.777 1.793 -4.252 1.00 0.48 H new ATOM 0 HB ILE A 76 10.002 1.287 -3.119 1.00 0.53 H new ATOM 0 HG12 ILE A 76 11.554 -0.007 -5.389 1.00 0.62 H new ATOM 0 HG13 ILE A 76 11.205 -0.742 -3.837 1.00 0.62 H new ATOM 0 HG21 ILE A 76 9.190 2.011 -5.327 1.00 0.64 H new ATOM 0 HG22 ILE A 76 10.045 3.322 -4.479 1.00 0.64 H new ATOM 0 HG23 ILE A 76 10.853 2.438 -5.796 1.00 0.64 H new ATOM 0 HD11 ILE A 76 9.678 -1.571 -5.561 1.00 1.42 H new ATOM 0 HD12 ILE A 76 8.784 -0.655 -4.325 1.00 1.42 H new ATOM 0 HD13 ILE A 76 9.138 0.091 -5.901 1.00 1.42 H new ATOM 1150 N GLU A 77 11.656 3.275 -1.548 1.00 0.45 N ATOM 1151 CA GLU A 77 11.529 4.545 -0.850 1.00 0.52 C ATOM 1152 C GLU A 77 12.867 5.267 -0.856 1.00 0.52 C ATOM 1153 O GLU A 77 12.932 6.490 -0.986 1.00 0.71 O ATOM 1154 CB GLU A 77 11.075 4.313 0.592 1.00 0.59 C ATOM 1155 CG GLU A 77 9.799 3.499 0.707 1.00 0.95 C ATOM 1156 CD GLU A 77 9.409 3.225 2.147 1.00 1.15 C ATOM 1157 OE1 GLU A 77 10.094 3.738 3.055 1.00 1.59 O ATOM 1158 OE2 GLU A 77 8.419 2.498 2.366 1.00 1.52 O ATOM 0 H GLU A 77 11.500 2.456 -0.960 1.00 0.45 H new ATOM 0 HA GLU A 77 10.784 5.156 -1.360 1.00 0.52 H new ATOM 0 HB2 GLU A 77 11.870 3.804 1.136 1.00 0.59 H new ATOM 0 HB3 GLU A 77 10.925 5.278 1.076 1.00 0.59 H new ATOM 0 HG2 GLU A 77 8.988 4.030 0.210 1.00 0.95 H new ATOM 0 HG3 GLU A 77 9.928 2.552 0.183 1.00 0.95 H new ATOM 1165 N LEU A 78 13.937 4.487 -0.724 1.00 0.47 N ATOM 1166 CA LEU A 78 15.287 5.027 -0.723 1.00 0.56 C ATOM 1167 C LEU A 78 15.652 5.528 -2.114 1.00 0.57 C ATOM 1168 O LEU A 78 16.235 6.601 -2.267 1.00 0.66 O ATOM 1169 CB LEU A 78 16.287 3.958 -0.273 1.00 0.63 C ATOM 1170 CG LEU A 78 16.027 3.362 1.114 1.00 0.71 C ATOM 1171 CD1 LEU A 78 17.024 2.252 1.410 1.00 0.83 C ATOM 1172 CD2 LEU A 78 16.099 4.441 2.186 1.00 0.84 C ATOM 0 H LEU A 78 13.891 3.474 -0.616 1.00 0.47 H new ATOM 0 HA LEU A 78 15.327 5.862 -0.024 1.00 0.56 H new ATOM 0 HB2 LEU A 78 16.284 3.150 -1.004 1.00 0.63 H new ATOM 0 HB3 LEU A 78 17.287 4.392 -0.282 1.00 0.63 H new ATOM 0 HG LEU A 78 15.023 2.938 1.122 1.00 0.71 H new ATOM 0 HD11 LEU A 78 16.826 1.839 2.399 1.00 0.83 H new ATOM 0 HD12 LEU A 78 16.925 1.465 0.662 1.00 0.83 H new ATOM 0 HD13 LEU A 78 18.036 2.655 1.381 1.00 0.83 H new ATOM 0 HD21 LEU A 78 15.911 3.996 3.163 1.00 0.84 H new ATOM 0 HD22 LEU A 78 17.090 4.896 2.179 1.00 0.84 H new ATOM 0 HD23 LEU A 78 15.348 5.205 1.985 1.00 0.84 H new ATOM 1184 N GLN A 79 15.293 4.742 -3.126 1.00 0.56 N ATOM 1185 CA GLN A 79 15.568 5.103 -4.511 1.00 0.63 C ATOM 1186 C GLN A 79 14.797 6.358 -4.902 1.00 0.66 C ATOM 1187 O GLN A 79 15.234 7.127 -5.758 1.00 0.84 O ATOM 1188 CB GLN A 79 15.194 3.954 -5.449 1.00 0.67 C ATOM 1189 CG GLN A 79 16.027 2.697 -5.245 1.00 0.93 C ATOM 1190 CD GLN A 79 15.656 1.576 -6.203 1.00 1.22 C ATOM 1191 OE1 GLN A 79 16.311 0.536 -6.233 1.00 1.95 O ATOM 1192 NE2 GLN A 79 14.602 1.775 -6.988 1.00 1.30 N ATOM 0 H GLN A 79 14.811 3.851 -3.011 1.00 0.56 H new ATOM 0 HA GLN A 79 16.636 5.302 -4.603 1.00 0.63 H new ATOM 0 HB2 GLN A 79 14.142 3.708 -5.305 1.00 0.67 H new ATOM 0 HB3 GLN A 79 15.305 4.289 -6.480 1.00 0.67 H new ATOM 0 HG2 GLN A 79 17.081 2.942 -5.372 1.00 0.93 H new ATOM 0 HG3 GLN A 79 15.902 2.348 -4.220 1.00 0.93 H new ATOM 0 HE21 GLN A 79 14.084 2.652 -6.934 1.00 1.30 H new ATOM 0 HE22 GLN A 79 14.311 1.051 -7.645 1.00 1.30 H new ATOM 1201 N GLN A 80 13.647 6.558 -4.266 1.00 0.54 N ATOM 1202 CA GLN A 80 12.813 7.719 -4.544 1.00 0.59 C ATOM 1203 C GLN A 80 13.384 8.957 -3.859 1.00 0.68 C ATOM 1204 O GLN A 80 12.989 10.086 -4.156 1.00 0.78 O ATOM 1205 CB GLN A 80 11.376 7.469 -4.076 1.00 0.54 C ATOM 1206 CG GLN A 80 10.407 8.580 -4.451 1.00 0.99 C ATOM 1207 CD GLN A 80 10.228 8.739 -5.953 1.00 0.98 C ATOM 1208 OE1 GLN A 80 9.612 9.698 -6.414 1.00 1.68 O ATOM 1209 NE2 GLN A 80 10.746 7.792 -6.728 1.00 0.74 N ATOM 0 H GLN A 80 13.272 5.930 -3.555 1.00 0.54 H new ATOM 0 HA GLN A 80 12.803 7.889 -5.621 1.00 0.59 H new ATOM 0 HB2 GLN A 80 11.022 6.531 -4.504 1.00 0.54 H new ATOM 0 HB3 GLN A 80 11.372 7.347 -2.993 1.00 0.54 H new ATOM 0 HG2 GLN A 80 9.438 8.376 -3.996 1.00 0.99 H new ATOM 0 HG3 GLN A 80 10.764 9.521 -4.033 1.00 0.99 H new ATOM 0 HE21 GLN A 80 11.251 7.011 -6.310 1.00 0.74 H new ATOM 0 HE22 GLN A 80 10.639 7.847 -7.741 1.00 0.74 H new ATOM 1218 N GLY A 81 14.321 8.731 -2.945 1.00 0.74 N ATOM 1219 CA GLY A 81 14.943 9.829 -2.230 1.00 0.88 C ATOM 1220 C GLY A 81 14.049 10.400 -1.149 1.00 0.89 C ATOM 1221 O GLY A 81 13.921 11.618 -1.022 1.00 0.99 O ATOM 0 H GLY A 81 14.661 7.805 -2.686 1.00 0.74 H new ATOM 0 HA2 GLY A 81 15.875 9.484 -1.781 1.00 0.88 H new ATOM 0 HA3 GLY A 81 15.202 10.618 -2.936 1.00 0.88 H new ATOM 1225 N ARG A 82 13.433 9.522 -0.363 1.00 0.95 N ATOM 1226 CA ARG A 82 12.553 9.956 0.714 1.00 1.07 C ATOM 1227 C ARG A 82 13.326 10.801 1.720 1.00 1.09 C ATOM 1228 O ARG A 82 14.556 10.803 1.724 1.00 1.50 O ATOM 1229 CB ARG A 82 11.930 8.752 1.422 1.00 1.34 C ATOM 1230 CG ARG A 82 12.950 7.855 2.099 1.00 1.78 C ATOM 1231 CD ARG A 82 12.278 6.796 2.951 1.00 2.05 C ATOM 1232 NE ARG A 82 13.251 5.967 3.652 1.00 2.68 N ATOM 1233 CZ ARG A 82 12.924 5.047 4.551 1.00 3.14 C ATOM 1234 NH1 ARG A 82 11.654 4.855 4.878 1.00 3.20 N ATOM 1235 NH2 ARG A 82 13.869 4.321 5.132 1.00 3.90 N ATOM 0 H ARG A 82 13.527 8.510 -0.452 1.00 0.95 H new ATOM 0 HA ARG A 82 11.755 10.558 0.279 1.00 1.07 H new ATOM 0 HB2 ARG A 82 11.218 9.107 2.167 1.00 1.34 H new ATOM 0 HB3 ARG A 82 11.366 8.165 0.697 1.00 1.34 H new ATOM 0 HG2 ARG A 82 13.573 7.375 1.344 1.00 1.78 H new ATOM 0 HG3 ARG A 82 13.611 8.458 2.721 1.00 1.78 H new ATOM 0 HD2 ARG A 82 11.620 7.276 3.676 1.00 2.05 H new ATOM 0 HD3 ARG A 82 11.651 6.166 2.320 1.00 2.05 H new ATOM 0 HE ARG A 82 14.239 6.102 3.439 1.00 2.68 H new ATOM 0 HH11 ARG A 82 10.924 5.415 4.438 1.00 3.20 H new ATOM 0 HH12 ARG A 82 11.407 4.147 5.569 1.00 3.20 H new ATOM 0 HH21 ARG A 82 14.848 4.469 4.888 1.00 3.90 H new ATOM 0 HH22 ARG A 82 13.617 3.614 5.823 1.00 3.90 H new ATOM 1249 N VAL A 83 12.602 11.519 2.568 1.00 1.01 N ATOM 1250 CA VAL A 83 13.231 12.369 3.570 1.00 1.24 C ATOM 1251 C VAL A 83 12.978 11.840 4.977 1.00 1.17 C ATOM 1252 O VAL A 83 12.162 12.385 5.718 1.00 1.65 O ATOM 1253 CB VAL A 83 12.723 13.818 3.472 1.00 1.94 C ATOM 1254 CG1 VAL A 83 13.476 14.718 4.438 1.00 2.77 C ATOM 1255 CG2 VAL A 83 12.848 14.330 2.046 1.00 2.45 C ATOM 0 H VAL A 83 11.582 11.530 2.582 1.00 1.01 H new ATOM 0 HA VAL A 83 14.303 12.356 3.372 1.00 1.24 H new ATOM 0 HB VAL A 83 11.669 13.833 3.749 1.00 1.94 H new ATOM 0 HG11 VAL A 83 13.101 15.738 4.352 1.00 2.77 H new ATOM 0 HG12 VAL A 83 13.329 14.362 5.457 1.00 2.77 H new ATOM 0 HG13 VAL A 83 14.539 14.701 4.198 1.00 2.77 H new ATOM 0 HG21 VAL A 83 12.484 15.356 1.995 1.00 2.45 H new ATOM 0 HG22 VAL A 83 13.893 14.300 1.739 1.00 2.45 H new ATOM 0 HG23 VAL A 83 12.256 13.702 1.381 1.00 2.45 H new ATOM 1265 N ARG A 84 13.683 10.774 5.335 1.00 1.26 N ATOM 1266 CA ARG A 84 13.533 10.168 6.654 1.00 1.64 C ATOM 1267 C ARG A 84 13.855 11.182 7.739 1.00 1.64 C ATOM 1268 O ARG A 84 14.757 12.002 7.587 1.00 2.28 O ATOM 1269 CB ARG A 84 14.443 8.949 6.807 1.00 2.64 C ATOM 1270 CG ARG A 84 14.754 8.250 5.496 1.00 3.46 C ATOM 1271 CD ARG A 84 16.101 8.679 4.924 1.00 4.08 C ATOM 1272 NE ARG A 84 16.288 10.132 4.913 1.00 4.79 N ATOM 1273 CZ ARG A 84 16.771 10.827 5.942 1.00 5.36 C ATOM 1274 NH1 ARG A 84 17.162 10.206 7.046 1.00 5.36 N ATOM 1275 NH2 ARG A 84 16.879 12.145 5.860 1.00 6.26 N ATOM 0 H ARG A 84 14.363 10.311 4.732 1.00 1.26 H new ATOM 0 HA ARG A 84 12.497 9.843 6.756 1.00 1.64 H new ATOM 0 HB2 ARG A 84 15.378 9.261 7.273 1.00 2.64 H new ATOM 0 HB3 ARG A 84 13.971 8.237 7.485 1.00 2.64 H new ATOM 0 HG2 ARG A 84 14.753 7.171 5.652 1.00 3.46 H new ATOM 0 HG3 ARG A 84 13.968 8.468 4.774 1.00 3.46 H new ATOM 0 HD2 ARG A 84 16.899 8.221 5.509 1.00 4.08 H new ATOM 0 HD3 ARG A 84 16.193 8.300 3.906 1.00 4.08 H new ATOM 0 HE ARG A 84 16.033 10.642 4.067 1.00 4.79 H new ATOM 0 HH11 ARG A 84 17.094 9.190 7.111 1.00 5.36 H new ATOM 0 HH12 ARG A 84 17.531 10.744 7.830 1.00 5.36 H new ATOM 0 HH21 ARG A 84 16.592 12.628 5.009 1.00 6.26 H new ATOM 0 HH22 ARG A 84 17.249 12.676 6.648 1.00 6.26 H new ATOM 1289 N LYS A 85 13.110 11.121 8.835 1.00 1.79 N ATOM 1290 CA LYS A 85 13.318 12.038 9.943 1.00 2.53 C ATOM 1291 C LYS A 85 12.382 11.719 11.099 1.00 2.61 C ATOM 1292 O LYS A 85 12.814 11.617 12.245 1.00 3.08 O ATOM 1293 CB LYS A 85 13.119 13.481 9.473 1.00 3.13 C ATOM 1294 CG LYS A 85 11.800 13.712 8.750 1.00 3.58 C ATOM 1295 CD LYS A 85 11.768 15.073 8.071 1.00 4.39 C ATOM 1296 CE LYS A 85 11.931 16.205 9.072 1.00 5.02 C ATOM 1297 NZ LYS A 85 11.937 17.535 8.407 1.00 5.50 N ATOM 0 H LYS A 85 12.358 10.447 8.978 1.00 1.79 H new ATOM 0 HA LYS A 85 14.341 11.920 10.300 1.00 2.53 H new ATOM 0 HB2 LYS A 85 13.172 14.145 10.336 1.00 3.13 H new ATOM 0 HB3 LYS A 85 13.940 13.754 8.810 1.00 3.13 H new ATOM 0 HG2 LYS A 85 11.649 12.929 8.006 1.00 3.58 H new ATOM 0 HG3 LYS A 85 10.977 13.639 9.461 1.00 3.58 H new ATOM 0 HD2 LYS A 85 12.563 15.127 7.328 1.00 4.39 H new ATOM 0 HD3 LYS A 85 10.825 15.192 7.538 1.00 4.39 H new ATOM 0 HE2 LYS A 85 11.120 16.166 9.799 1.00 5.02 H new ATOM 0 HE3 LYS A 85 12.861 16.071 9.624 1.00 5.02 H new ATOM 0 HZ1 LYS A 85 12.050 18.281 9.123 1.00 5.50 H new ATOM 0 HZ2 LYS A 85 12.726 17.582 7.731 1.00 5.50 H new ATOM 0 HZ3 LYS A 85 11.039 17.674 7.901 1.00 5.50 H new ATOM 1311 N ALA A 86 11.102 11.559 10.794 1.00 2.48 N ATOM 1312 CA ALA A 86 10.116 11.250 11.819 1.00 2.58 C ATOM 1313 C ALA A 86 8.953 10.455 11.245 1.00 2.00 C ATOM 1314 O ALA A 86 7.827 10.945 11.171 1.00 1.95 O ATOM 1315 CB ALA A 86 9.617 12.530 12.469 1.00 3.19 C ATOM 0 H ALA A 86 10.724 11.638 9.850 1.00 2.48 H new ATOM 0 HA ALA A 86 10.598 10.633 12.577 1.00 2.58 H new ATOM 0 HB1 ALA A 86 8.880 12.286 13.234 1.00 3.19 H new ATOM 0 HB2 ALA A 86 10.455 13.056 12.927 1.00 3.19 H new ATOM 0 HB3 ALA A 86 9.158 13.167 11.713 1.00 3.19 H new ATOM 1321 N GLU A 87 9.231 9.221 10.845 1.00 2.01 N ATOM 1322 CA GLU A 87 8.203 8.355 10.291 1.00 1.67 C ATOM 1323 C GLU A 87 7.922 7.199 11.235 1.00 1.90 C ATOM 1324 O GLU A 87 8.723 6.273 11.357 1.00 2.39 O ATOM 1325 CB GLU A 87 8.625 7.812 8.931 1.00 2.04 C ATOM 1326 CG GLU A 87 7.613 6.854 8.333 1.00 2.47 C ATOM 1327 CD GLU A 87 8.113 6.200 7.068 1.00 3.23 C ATOM 1328 OE1 GLU A 87 9.136 5.486 7.134 1.00 3.66 O ATOM 1329 OE2 GLU A 87 7.486 6.401 6.010 1.00 3.80 O ATOM 0 H GLU A 87 10.158 8.799 10.894 1.00 2.01 H new ATOM 0 HA GLU A 87 7.296 8.947 10.166 1.00 1.67 H new ATOM 0 HB2 GLU A 87 8.777 8.645 8.245 1.00 2.04 H new ATOM 0 HB3 GLU A 87 9.583 7.303 9.031 1.00 2.04 H new ATOM 0 HG2 GLU A 87 7.370 6.084 9.065 1.00 2.47 H new ATOM 0 HG3 GLU A 87 6.690 7.393 8.119 1.00 2.47 H new ATOM 1336 N ARG A 88 6.785 7.261 11.907 1.00 1.97 N ATOM 1337 CA ARG A 88 6.406 6.221 12.848 1.00 2.47 C ATOM 1338 C ARG A 88 5.035 5.653 12.526 1.00 2.28 C ATOM 1339 O ARG A 88 4.786 4.462 12.714 1.00 2.54 O ATOM 1340 CB ARG A 88 6.401 6.783 14.269 1.00 2.97 C ATOM 1341 CG ARG A 88 5.869 5.808 15.305 1.00 3.30 C ATOM 1342 CD ARG A 88 6.769 4.594 15.437 1.00 3.95 C ATOM 1343 NE ARG A 88 8.122 4.967 15.832 1.00 4.47 N ATOM 1344 CZ ARG A 88 8.412 5.578 16.976 1.00 5.01 C ATOM 1345 NH1 ARG A 88 7.452 5.866 17.845 1.00 5.17 N ATOM 1346 NH2 ARG A 88 9.667 5.896 17.256 1.00 5.74 N ATOM 0 H ARG A 88 6.109 8.020 11.819 1.00 1.97 H new ATOM 0 HA ARG A 88 7.137 5.417 12.768 1.00 2.47 H new ATOM 0 HB2 ARG A 88 7.417 7.071 14.541 1.00 2.97 H new ATOM 0 HB3 ARG A 88 5.796 7.689 14.290 1.00 2.97 H new ATOM 0 HG2 ARG A 88 5.787 6.309 16.270 1.00 3.30 H new ATOM 0 HG3 ARG A 88 4.865 5.490 15.025 1.00 3.30 H new ATOM 0 HD2 ARG A 88 6.350 3.909 16.174 1.00 3.95 H new ATOM 0 HD3 ARG A 88 6.801 4.060 14.487 1.00 3.95 H new ATOM 0 HE ARG A 88 8.888 4.747 15.195 1.00 4.47 H new ATOM 0 HH11 ARG A 88 6.485 5.618 17.637 1.00 5.17 H new ATOM 0 HH12 ARG A 88 7.681 6.335 18.721 1.00 5.17 H new ATOM 0 HH21 ARG A 88 10.410 5.672 16.594 1.00 5.74 H new ATOM 0 HH22 ARG A 88 9.891 6.365 18.134 1.00 5.74 H new ATOM 1360 N TRP A 89 4.137 6.513 12.073 1.00 1.98 N ATOM 1361 CA TRP A 89 2.781 6.091 11.771 1.00 1.91 C ATOM 1362 C TRP A 89 2.288 6.696 10.463 1.00 1.60 C ATOM 1363 O TRP A 89 1.474 6.097 9.758 1.00 1.71 O ATOM 1364 CB TRP A 89 1.876 6.513 12.923 1.00 2.11 C ATOM 1365 CG TRP A 89 0.773 5.551 13.222 1.00 2.00 C ATOM 1366 CD1 TRP A 89 0.779 4.199 13.035 1.00 2.28 C ATOM 1367 CD2 TRP A 89 -0.491 5.873 13.798 1.00 2.29 C ATOM 1368 NE1 TRP A 89 -0.415 3.662 13.451 1.00 2.69 N ATOM 1369 CE2 TRP A 89 -1.211 4.671 13.925 1.00 2.74 C ATOM 1370 CE3 TRP A 89 -1.087 7.064 14.216 1.00 2.65 C ATOM 1371 CZ2 TRP A 89 -2.496 4.628 14.452 1.00 3.44 C ATOM 1372 CZ3 TRP A 89 -2.362 7.021 14.740 1.00 3.33 C ATOM 1373 CH2 TRP A 89 -3.055 5.811 14.856 1.00 3.70 C ATOM 0 H TRP A 89 4.322 7.502 11.907 1.00 1.98 H new ATOM 0 HA TRP A 89 2.762 5.008 11.653 1.00 1.91 H new ATOM 0 HB2 TRP A 89 2.484 6.641 13.819 1.00 2.11 H new ATOM 0 HB3 TRP A 89 1.441 7.485 12.691 1.00 2.11 H new ATOM 0 HD1 TRP A 89 1.601 3.635 12.621 1.00 2.28 H new ATOM 0 HE1 TRP A 89 -0.667 2.674 13.413 1.00 2.69 H new ATOM 0 HE3 TRP A 89 -0.559 8.002 14.131 1.00 2.65 H new ATOM 0 HZ2 TRP A 89 -3.034 3.696 14.540 1.00 3.44 H new ATOM 0 HZ3 TRP A 89 -2.833 7.936 15.066 1.00 3.33 H new ATOM 0 HH2 TRP A 89 -4.051 5.810 15.273 1.00 3.70 H new ATOM 1384 N GLY A 90 2.778 7.890 10.147 1.00 1.35 N ATOM 1385 CA GLY A 90 2.369 8.558 8.926 1.00 1.15 C ATOM 1386 C GLY A 90 3.346 8.342 7.785 1.00 1.08 C ATOM 1387 O GLY A 90 4.533 8.118 8.019 1.00 1.29 O ATOM 0 H GLY A 90 3.450 8.406 10.714 1.00 1.35 H new ATOM 0 HA2 GLY A 90 1.385 8.195 8.630 1.00 1.15 H new ATOM 0 HA3 GLY A 90 2.270 9.627 9.117 1.00 1.15 H new ATOM 1391 N PRO A 91 2.869 8.406 6.527 1.00 0.96 N ATOM 1392 CA PRO A 91 3.719 8.218 5.345 1.00 1.07 C ATOM 1393 C PRO A 91 4.955 9.107 5.383 1.00 1.17 C ATOM 1394 O PRO A 91 6.076 8.633 5.194 1.00 1.60 O ATOM 1395 CB PRO A 91 2.806 8.620 4.185 1.00 1.09 C ATOM 1396 CG PRO A 91 1.427 8.371 4.687 1.00 1.09 C ATOM 1397 CD PRO A 91 1.464 8.669 6.159 1.00 0.91 C ATOM 0 HA PRO A 91 4.100 7.199 5.270 1.00 1.07 H new ATOM 0 HB2 PRO A 91 2.946 9.667 3.915 1.00 1.09 H new ATOM 0 HB3 PRO A 91 3.016 8.030 3.293 1.00 1.09 H new ATOM 0 HG2 PRO A 91 0.705 9.009 4.177 1.00 1.09 H new ATOM 0 HG3 PRO A 91 1.125 7.340 4.505 1.00 1.09 H new ATOM 0 HD2 PRO A 91 1.181 9.701 6.367 1.00 0.91 H new ATOM 0 HD3 PRO A 91 0.777 8.031 6.715 1.00 0.91 H new ATOM 1405 N ARG A 92 4.729 10.397 5.637 1.00 0.93 N ATOM 1406 CA ARG A 92 5.802 11.390 5.722 1.00 1.03 C ATOM 1407 C ARG A 92 6.350 11.751 4.338 1.00 1.13 C ATOM 1408 O ARG A 92 6.652 12.912 4.075 1.00 1.95 O ATOM 1409 CB ARG A 92 6.920 10.897 6.654 1.00 1.21 C ATOM 1410 CG ARG A 92 7.957 11.958 6.999 1.00 1.04 C ATOM 1411 CD ARG A 92 9.042 12.086 5.937 1.00 1.71 C ATOM 1412 NE ARG A 92 10.005 10.986 5.988 1.00 2.57 N ATOM 1413 CZ ARG A 92 9.808 9.792 5.440 1.00 3.53 C ATOM 1414 NH1 ARG A 92 8.715 9.551 4.733 1.00 3.96 N ATOM 1415 NH2 ARG A 92 10.717 8.840 5.582 1.00 4.39 N ATOM 0 H ARG A 92 3.797 10.783 5.790 1.00 0.93 H new ATOM 0 HA ARG A 92 5.381 12.302 6.146 1.00 1.03 H new ATOM 0 HB2 ARG A 92 6.472 10.529 7.577 1.00 1.21 H new ATOM 0 HB3 ARG A 92 7.423 10.052 6.184 1.00 1.21 H new ATOM 0 HG2 ARG A 92 7.460 12.920 7.122 1.00 1.04 H new ATOM 0 HG3 ARG A 92 8.418 11.712 7.956 1.00 1.04 H new ATOM 0 HD2 ARG A 92 8.579 12.115 4.950 1.00 1.71 H new ATOM 0 HD3 ARG A 92 9.567 13.032 6.070 1.00 1.71 H new ATOM 0 HE ARG A 92 10.886 11.146 6.477 1.00 2.57 H new ATOM 0 HH11 ARG A 92 8.018 10.284 4.606 1.00 3.96 H new ATOM 0 HH12 ARG A 92 8.570 8.632 4.315 1.00 3.96 H new ATOM 0 HH21 ARG A 92 11.569 9.023 6.112 1.00 4.39 H new ATOM 0 HH22 ARG A 92 10.565 7.923 5.161 1.00 4.39 H new ATOM 1429 N THR A 93 6.473 10.763 3.455 1.00 0.94 N ATOM 1430 CA THR A 93 6.978 11.008 2.106 1.00 0.91 C ATOM 1431 C THR A 93 6.628 9.857 1.175 1.00 0.83 C ATOM 1432 O THR A 93 6.103 10.066 0.082 1.00 1.08 O ATOM 1433 CB THR A 93 8.498 11.204 2.119 1.00 1.02 C ATOM 1434 OG1 THR A 93 8.862 12.293 2.945 1.00 1.52 O ATOM 1435 CG2 THR A 93 9.078 11.464 0.746 1.00 1.47 C ATOM 0 H THR A 93 6.232 9.791 3.647 1.00 0.94 H new ATOM 0 HA THR A 93 6.503 11.918 1.741 1.00 0.91 H new ATOM 0 HB THR A 93 8.902 10.267 2.501 1.00 1.02 H new ATOM 0 HG1 THR A 93 8.073 12.845 3.125 1.00 1.52 H new ATOM 0 HG21 THR A 93 10.157 11.594 0.826 1.00 1.47 H new ATOM 0 HG22 THR A 93 8.861 10.618 0.093 1.00 1.47 H new ATOM 0 HG23 THR A 93 8.634 12.368 0.329 1.00 1.47 H new ATOM 1443 N LEU A 94 6.939 8.641 1.608 1.00 0.68 N ATOM 1444 CA LEU A 94 6.671 7.456 0.806 1.00 0.64 C ATOM 1445 C LEU A 94 6.843 6.183 1.626 1.00 0.56 C ATOM 1446 O LEU A 94 7.915 5.927 2.175 1.00 0.71 O ATOM 1447 CB LEU A 94 7.613 7.424 -0.400 1.00 0.72 C ATOM 1448 CG LEU A 94 7.519 6.171 -1.270 1.00 1.00 C ATOM 1449 CD1 LEU A 94 6.163 6.096 -1.954 1.00 1.44 C ATOM 1450 CD2 LEU A 94 8.641 6.152 -2.295 1.00 1.87 C ATOM 0 H LEU A 94 7.377 8.451 2.510 1.00 0.68 H new ATOM 0 HA LEU A 94 5.637 7.504 0.465 1.00 0.64 H new ATOM 0 HB2 LEU A 94 7.409 8.295 -1.023 1.00 0.72 H new ATOM 0 HB3 LEU A 94 8.638 7.522 -0.042 1.00 0.72 H new ATOM 0 HG LEU A 94 7.625 5.296 -0.629 1.00 1.00 H new ATOM 0 HD11 LEU A 94 6.115 5.197 -2.569 1.00 1.44 H new ATOM 0 HD12 LEU A 94 5.377 6.062 -1.200 1.00 1.44 H new ATOM 0 HD13 LEU A 94 6.024 6.975 -2.584 1.00 1.44 H new ATOM 0 HD21 LEU A 94 8.560 5.253 -2.907 1.00 1.87 H new ATOM 0 HD22 LEU A 94 8.566 7.033 -2.933 1.00 1.87 H new ATOM 0 HD23 LEU A 94 9.603 6.156 -1.782 1.00 1.87 H new ATOM 1462 N ASP A 95 5.788 5.379 1.688 1.00 0.52 N ATOM 1463 CA ASP A 95 5.830 4.121 2.421 1.00 0.53 C ATOM 1464 C ASP A 95 4.856 3.119 1.809 1.00 0.46 C ATOM 1465 O ASP A 95 3.638 3.261 1.920 1.00 0.59 O ATOM 1466 CB ASP A 95 5.530 4.337 3.910 1.00 0.73 C ATOM 1467 CG ASP A 95 4.078 4.669 4.184 1.00 1.16 C ATOM 1468 OD1 ASP A 95 3.569 5.641 3.593 1.00 1.64 O ATOM 1469 OD2 ASP A 95 3.452 3.957 4.996 1.00 1.72 O ATOM 0 H ASP A 95 4.894 5.576 1.239 1.00 0.52 H new ATOM 0 HA ASP A 95 6.838 3.715 2.344 1.00 0.53 H new ATOM 0 HB2 ASP A 95 5.801 3.437 4.463 1.00 0.73 H new ATOM 0 HB3 ASP A 95 6.158 5.144 4.287 1.00 0.73 H new ATOM 1474 N LEU A 96 5.406 2.113 1.144 1.00 0.38 N ATOM 1475 CA LEU A 96 4.598 1.091 0.496 1.00 0.36 C ATOM 1476 C LEU A 96 4.846 -0.278 1.126 1.00 0.40 C ATOM 1477 O LEU A 96 5.879 -0.907 0.892 1.00 0.53 O ATOM 1478 CB LEU A 96 4.877 1.056 -1.016 1.00 0.43 C ATOM 1479 CG LEU A 96 6.343 0.877 -1.434 1.00 0.52 C ATOM 1480 CD1 LEU A 96 6.429 0.529 -2.912 1.00 0.97 C ATOM 1481 CD2 LEU A 96 7.148 2.138 -1.151 1.00 0.89 C ATOM 0 H LEU A 96 6.412 1.983 1.039 1.00 0.38 H new ATOM 0 HA LEU A 96 3.548 1.344 0.642 1.00 0.36 H new ATOM 0 HB2 LEU A 96 4.295 0.244 -1.452 1.00 0.43 H new ATOM 0 HB3 LEU A 96 4.507 1.983 -1.453 1.00 0.43 H new ATOM 0 HG LEU A 96 6.765 0.060 -0.848 1.00 0.52 H new ATOM 0 HD11 LEU A 96 7.474 0.405 -3.196 1.00 0.97 H new ATOM 0 HD12 LEU A 96 5.889 -0.399 -3.099 1.00 0.97 H new ATOM 0 HD13 LEU A 96 5.986 1.332 -3.501 1.00 0.97 H new ATOM 0 HD21 LEU A 96 8.183 1.985 -1.456 1.00 0.89 H new ATOM 0 HD22 LEU A 96 6.725 2.973 -1.709 1.00 0.89 H new ATOM 0 HD23 LEU A 96 7.113 2.360 -0.084 1.00 0.89 H new ATOM 1493 N ASP A 97 3.890 -0.725 1.937 1.00 0.38 N ATOM 1494 CA ASP A 97 3.995 -2.012 2.616 1.00 0.44 C ATOM 1495 C ASP A 97 2.954 -2.995 2.092 1.00 0.39 C ATOM 1496 O ASP A 97 1.986 -2.603 1.442 1.00 0.40 O ATOM 1497 CB ASP A 97 3.812 -1.830 4.123 1.00 0.55 C ATOM 1498 CG ASP A 97 4.793 -0.841 4.716 1.00 1.14 C ATOM 1499 OD1 ASP A 97 6.013 -1.069 4.593 1.00 1.45 O ATOM 1500 OD2 ASP A 97 4.343 0.159 5.309 1.00 1.93 O ATOM 0 H ASP A 97 3.032 -0.212 2.140 1.00 0.38 H new ATOM 0 HA ASP A 97 4.987 -2.416 2.416 1.00 0.44 H new ATOM 0 HB2 ASP A 97 2.795 -1.491 4.323 1.00 0.55 H new ATOM 0 HB3 ASP A 97 3.930 -2.794 4.618 1.00 0.55 H new ATOM 1505 N ILE A 98 3.157 -4.274 2.392 1.00 0.39 N ATOM 1506 CA ILE A 98 2.234 -5.318 1.964 1.00 0.36 C ATOM 1507 C ILE A 98 0.989 -5.348 2.845 1.00 0.35 C ATOM 1508 O ILE A 98 1.040 -5.786 3.995 1.00 0.53 O ATOM 1509 CB ILE A 98 2.907 -6.709 1.986 1.00 0.36 C ATOM 1510 CG1 ILE A 98 4.014 -6.784 0.931 1.00 0.48 C ATOM 1511 CG2 ILE A 98 1.879 -7.813 1.767 1.00 0.44 C ATOM 1512 CD1 ILE A 98 3.520 -6.583 -0.488 1.00 1.20 C ATOM 0 H ILE A 98 3.954 -4.612 2.931 1.00 0.39 H new ATOM 0 HA ILE A 98 1.942 -5.083 0.941 1.00 0.36 H new ATOM 0 HB ILE A 98 3.356 -6.856 2.968 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.768 -6.029 1.154 1.00 0.48 H new ATOM 0 HG13 ILE A 98 4.505 -7.755 1.001 1.00 0.48 H new ATOM 0 HG21 ILE A 98 2.377 -8.783 1.787 1.00 0.44 H new ATOM 0 HG22 ILE A 98 1.129 -7.774 2.557 1.00 0.44 H new ATOM 0 HG23 ILE A 98 1.395 -7.673 0.800 1.00 0.44 H new ATOM 0 HD11 ILE A 98 4.361 -6.650 -1.179 1.00 1.20 H new ATOM 0 HD12 ILE A 98 2.788 -7.354 -0.731 1.00 1.20 H new ATOM 0 HD13 ILE A 98 3.055 -5.601 -0.576 1.00 1.20 H new ATOM 1524 N MET A 99 -0.128 -4.888 2.292 1.00 0.32 N ATOM 1525 CA MET A 99 -1.393 -4.871 3.020 1.00 0.36 C ATOM 1526 C MET A 99 -2.133 -6.185 2.801 1.00 0.33 C ATOM 1527 O MET A 99 -2.960 -6.593 3.614 1.00 0.37 O ATOM 1528 CB MET A 99 -2.256 -3.697 2.558 1.00 0.43 C ATOM 1529 CG MET A 99 -1.540 -2.359 2.630 1.00 0.68 C ATOM 1530 SD MET A 99 -0.892 -2.008 4.275 1.00 1.56 S ATOM 1531 CE MET A 99 0.003 -0.490 3.963 1.00 2.37 C ATOM 0 H MET A 99 -0.184 -4.522 1.342 1.00 0.32 H new ATOM 0 HA MET A 99 -1.186 -4.752 4.084 1.00 0.36 H new ATOM 0 HB2 MET A 99 -2.578 -3.874 1.532 1.00 0.43 H new ATOM 0 HB3 MET A 99 -3.156 -3.653 3.172 1.00 0.43 H new ATOM 0 HG2 MET A 99 -0.721 -2.350 1.911 1.00 0.68 H new ATOM 0 HG3 MET A 99 -2.229 -1.566 2.338 1.00 0.68 H new ATOM 0 HE1 MET A 99 0.449 -0.133 4.891 1.00 2.37 H new ATOM 0 HE2 MET A 99 0.789 -0.675 3.231 1.00 2.37 H new ATOM 0 HE3 MET A 99 -0.683 0.264 3.577 1.00 2.37 H new ATOM 1541 N LEU A 100 -1.805 -6.840 1.693 1.00 0.30 N ATOM 1542 CA LEU A 100 -2.400 -8.121 1.329 1.00 0.30 C ATOM 1543 C LEU A 100 -1.494 -8.854 0.350 1.00 0.31 C ATOM 1544 O LEU A 100 -0.990 -8.260 -0.602 1.00 0.58 O ATOM 1545 CB LEU A 100 -3.789 -7.931 0.708 1.00 0.30 C ATOM 1546 CG LEU A 100 -4.932 -7.724 1.704 1.00 0.37 C ATOM 1547 CD1 LEU A 100 -6.242 -7.480 0.971 1.00 0.40 C ATOM 1548 CD2 LEU A 100 -5.054 -8.929 2.622 1.00 0.43 C ATOM 0 H LEU A 100 -1.118 -6.498 1.021 1.00 0.30 H new ATOM 0 HA LEU A 100 -2.511 -8.713 2.237 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -3.754 -7.072 0.038 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -4.017 -8.804 0.096 1.00 0.30 H new ATOM 0 HG LEU A 100 -4.709 -6.845 2.309 1.00 0.37 H new ATOM 0 HD11 LEU A 100 -7.043 -7.335 1.696 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -6.150 -6.590 0.349 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -6.473 -8.340 0.342 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -5.871 -8.769 3.326 1.00 0.43 H new ATOM 0 HD22 LEU A 100 -5.256 -9.820 2.028 1.00 0.43 H new ATOM 0 HD23 LEU A 100 -4.122 -9.063 3.172 1.00 0.43 H new ATOM 1560 N PHE A 101 -1.285 -10.141 0.588 1.00 0.36 N ATOM 1561 CA PHE A 101 -0.433 -10.938 -0.283 1.00 0.36 C ATOM 1562 C PHE A 101 -0.926 -12.377 -0.344 1.00 0.38 C ATOM 1563 O PHE A 101 -0.760 -13.137 0.611 1.00 0.88 O ATOM 1564 CB PHE A 101 1.014 -10.904 0.212 1.00 0.46 C ATOM 1565 CG PHE A 101 2.011 -11.376 -0.807 1.00 0.70 C ATOM 1566 CD1 PHE A 101 2.197 -10.673 -1.988 1.00 1.13 C ATOM 1567 CD2 PHE A 101 2.767 -12.515 -0.586 1.00 1.10 C ATOM 1568 CE1 PHE A 101 3.116 -11.098 -2.928 1.00 1.59 C ATOM 1569 CE2 PHE A 101 3.689 -12.944 -1.523 1.00 1.59 C ATOM 1570 CZ PHE A 101 3.863 -12.235 -2.695 1.00 1.75 C ATOM 0 H PHE A 101 -1.691 -10.653 1.371 1.00 0.36 H new ATOM 0 HA PHE A 101 -0.475 -10.511 -1.285 1.00 0.36 H new ATOM 0 HB2 PHE A 101 1.264 -9.885 0.507 1.00 0.46 H new ATOM 0 HB3 PHE A 101 1.098 -11.524 1.104 1.00 0.46 H new ATOM 0 HD1 PHE A 101 1.616 -9.782 -2.175 1.00 1.13 H new ATOM 0 HD2 PHE A 101 2.635 -13.074 0.328 1.00 1.10 H new ATOM 0 HE1 PHE A 101 3.250 -10.541 -3.844 1.00 1.59 H new ATOM 0 HE2 PHE A 101 4.273 -13.834 -1.338 1.00 1.59 H new ATOM 0 HZ PHE A 101 4.582 -12.569 -3.428 1.00 1.75 H new ATOM 1580 N GLY A 102 -1.535 -12.740 -1.469 1.00 0.58 N ATOM 1581 CA GLY A 102 -2.047 -14.088 -1.641 1.00 0.60 C ATOM 1582 C GLY A 102 -2.907 -14.538 -0.476 1.00 0.73 C ATOM 1583 O GLY A 102 -3.977 -13.981 -0.233 1.00 1.49 O ATOM 0 H GLY A 102 -1.683 -12.122 -2.267 1.00 0.58 H new ATOM 0 HA2 GLY A 102 -2.632 -14.136 -2.560 1.00 0.60 H new ATOM 0 HA3 GLY A 102 -1.211 -14.778 -1.759 1.00 0.60 H new ATOM 1587 N ASN A 103 -2.437 -15.549 0.245 1.00 0.56 N ATOM 1588 CA ASN A 103 -3.168 -16.074 1.390 1.00 0.58 C ATOM 1589 C ASN A 103 -2.218 -16.455 2.521 1.00 0.52 C ATOM 1590 O ASN A 103 -2.637 -16.605 3.668 1.00 0.67 O ATOM 1591 CB ASN A 103 -4.003 -17.286 0.975 1.00 0.76 C ATOM 1592 CG ASN A 103 -3.162 -18.383 0.355 1.00 0.85 C ATOM 1593 OD1 ASN A 103 -2.551 -18.193 -0.696 1.00 1.55 O ATOM 1594 ND2 ASN A 103 -3.122 -19.538 1.007 1.00 0.90 N ATOM 0 H ASN A 103 -1.553 -16.021 0.056 1.00 0.56 H new ATOM 0 HA ASN A 103 -3.833 -15.290 1.753 1.00 0.58 H new ATOM 0 HB2 ASN A 103 -4.524 -17.681 1.847 1.00 0.76 H new ATOM 0 HB3 ASN A 103 -4.766 -16.971 0.263 1.00 0.76 H new ATOM 0 HD21 ASN A 103 -2.569 -20.312 0.640 1.00 0.90 H new ATOM 0 HD22 ASN A 103 -3.644 -19.652 1.876 1.00 0.90 H new ATOM 1601 N GLU A 104 -0.938 -16.611 2.195 1.00 0.43 N ATOM 1602 CA GLU A 104 0.061 -16.974 3.194 1.00 0.42 C ATOM 1603 C GLU A 104 0.131 -15.920 4.294 1.00 0.42 C ATOM 1604 O GLU A 104 -0.203 -14.756 4.076 1.00 0.58 O ATOM 1605 CB GLU A 104 1.446 -17.154 2.559 1.00 0.51 C ATOM 1606 CG GLU A 104 2.054 -15.879 1.987 1.00 0.56 C ATOM 1607 CD GLU A 104 1.650 -15.619 0.548 1.00 1.57 C ATOM 1608 OE1 GLU A 104 0.459 -15.355 0.298 1.00 2.14 O ATOM 1609 OE2 GLU A 104 2.533 -15.683 -0.332 1.00 2.29 O ATOM 0 H GLU A 104 -0.570 -16.492 1.251 1.00 0.43 H new ATOM 0 HA GLU A 104 -0.244 -17.925 3.630 1.00 0.42 H new ATOM 0 HB2 GLU A 104 2.125 -17.559 3.309 1.00 0.51 H new ATOM 0 HB3 GLU A 104 1.372 -17.894 1.762 1.00 0.51 H new ATOM 0 HG2 GLU A 104 1.751 -15.032 2.602 1.00 0.56 H new ATOM 0 HG3 GLU A 104 3.140 -15.943 2.047 1.00 0.56 H new ATOM 1616 N VAL A 105 0.568 -16.339 5.478 1.00 0.50 N ATOM 1617 CA VAL A 105 0.683 -15.432 6.612 1.00 0.56 C ATOM 1618 C VAL A 105 2.058 -15.549 7.271 1.00 0.61 C ATOM 1619 O VAL A 105 2.278 -16.376 8.157 1.00 0.72 O ATOM 1620 CB VAL A 105 -0.437 -15.685 7.648 1.00 0.66 C ATOM 1621 CG1 VAL A 105 -0.433 -17.131 8.121 1.00 0.80 C ATOM 1622 CG2 VAL A 105 -0.309 -14.732 8.825 1.00 0.67 C ATOM 0 H VAL A 105 0.848 -17.300 5.676 1.00 0.50 H new ATOM 0 HA VAL A 105 0.570 -14.416 6.233 1.00 0.56 H new ATOM 0 HB VAL A 105 -1.393 -15.497 7.159 1.00 0.66 H new ATOM 0 HG11 VAL A 105 -1.231 -17.278 8.848 1.00 0.80 H new ATOM 0 HG12 VAL A 105 -0.592 -17.793 7.270 1.00 0.80 H new ATOM 0 HG13 VAL A 105 0.527 -17.360 8.584 1.00 0.80 H new ATOM 0 HG21 VAL A 105 -1.107 -14.928 9.541 1.00 0.67 H new ATOM 0 HG22 VAL A 105 0.657 -14.879 9.309 1.00 0.67 H new ATOM 0 HG23 VAL A 105 -0.384 -13.704 8.471 1.00 0.67 H new ATOM 1632 N ILE A 106 2.989 -14.714 6.817 1.00 0.58 N ATOM 1633 CA ILE A 106 4.348 -14.719 7.344 1.00 0.64 C ATOM 1634 C ILE A 106 4.723 -13.346 7.895 1.00 0.61 C ATOM 1635 O ILE A 106 4.336 -12.320 7.336 1.00 0.57 O ATOM 1636 CB ILE A 106 5.363 -15.113 6.254 1.00 0.74 C ATOM 1637 CG1 ILE A 106 4.944 -16.428 5.590 1.00 0.76 C ATOM 1638 CG2 ILE A 106 6.759 -15.234 6.848 1.00 1.31 C ATOM 1639 CD1 ILE A 106 5.819 -16.822 4.419 1.00 1.45 C ATOM 0 H ILE A 106 2.825 -14.024 6.084 1.00 0.58 H new ATOM 0 HA ILE A 106 4.380 -15.454 8.148 1.00 0.64 H new ATOM 0 HB ILE A 106 5.380 -14.332 5.494 1.00 0.74 H new ATOM 0 HG12 ILE A 106 4.967 -17.224 6.334 1.00 0.76 H new ATOM 0 HG13 ILE A 106 3.913 -16.340 5.249 1.00 0.76 H new ATOM 0 HG21 ILE A 106 7.465 -15.513 6.065 1.00 1.31 H new ATOM 0 HG22 ILE A 106 7.055 -14.278 7.279 1.00 1.31 H new ATOM 0 HG23 ILE A 106 6.759 -15.998 7.625 1.00 1.31 H new ATOM 0 HD11 ILE A 106 5.463 -17.763 3.999 1.00 1.45 H new ATOM 0 HD12 ILE A 106 5.777 -16.045 3.656 1.00 1.45 H new ATOM 0 HD13 ILE A 106 6.848 -16.943 4.758 1.00 1.45 H new ATOM 1651 N ASN A 107 5.476 -13.332 8.990 1.00 0.84 N ATOM 1652 CA ASN A 107 5.899 -12.079 9.609 1.00 0.90 C ATOM 1653 C ASN A 107 7.374 -12.128 9.997 1.00 0.91 C ATOM 1654 O ASN A 107 7.740 -12.750 10.994 1.00 1.02 O ATOM 1655 CB ASN A 107 5.050 -11.779 10.846 1.00 1.09 C ATOM 1656 CG ASN A 107 3.576 -11.638 10.522 1.00 1.00 C ATOM 1657 OD1 ASN A 107 2.931 -12.590 10.088 1.00 1.28 O ATOM 1658 ND2 ASN A 107 3.038 -10.442 10.730 1.00 1.21 N ATOM 0 H ASN A 107 5.806 -14.171 9.467 1.00 0.84 H new ATOM 0 HA ASN A 107 5.759 -11.284 8.877 1.00 0.90 H new ATOM 0 HB2 ASN A 107 5.183 -12.578 11.576 1.00 1.09 H new ATOM 0 HB3 ASN A 107 5.405 -10.860 11.312 1.00 1.09 H new ATOM 0 HD21 ASN A 107 2.051 -10.285 10.528 1.00 1.21 H new ATOM 0 HD22 ASN A 107 3.612 -9.680 11.092 1.00 1.21 H new ATOM 1665 N THR A 108 8.213 -11.459 9.212 1.00 0.86 N ATOM 1666 CA THR A 108 9.645 -11.418 9.484 1.00 0.89 C ATOM 1667 C THR A 108 9.988 -10.172 10.301 1.00 0.91 C ATOM 1668 O THR A 108 9.225 -9.781 11.185 1.00 1.16 O ATOM 1669 CB THR A 108 10.438 -11.444 8.176 1.00 0.90 C ATOM 1670 OG1 THR A 108 10.100 -10.336 7.362 1.00 1.07 O ATOM 1671 CG2 THR A 108 10.207 -12.699 7.364 1.00 0.92 C ATOM 0 H THR A 108 7.926 -10.938 8.383 1.00 0.86 H new ATOM 0 HA THR A 108 9.919 -12.299 10.064 1.00 0.89 H new ATOM 0 HB THR A 108 11.486 -11.409 8.472 1.00 0.90 H new ATOM 0 HG1 THR A 108 10.619 -10.370 6.531 1.00 1.07 H new ATOM 0 HG21 THR A 108 10.798 -12.654 6.449 1.00 0.92 H new ATOM 0 HG22 THR A 108 10.506 -13.570 7.947 1.00 0.92 H new ATOM 0 HG23 THR A 108 9.150 -12.778 7.109 1.00 0.92 H new ATOM 1679 N GLU A 109 11.127 -9.546 10.012 1.00 0.83 N ATOM 1680 CA GLU A 109 11.530 -8.348 10.742 1.00 0.86 C ATOM 1681 C GLU A 109 10.984 -7.085 10.081 1.00 0.73 C ATOM 1682 O GLU A 109 10.504 -6.179 10.765 1.00 0.87 O ATOM 1683 CB GLU A 109 13.055 -8.259 10.877 1.00 0.95 C ATOM 1684 CG GLU A 109 13.813 -8.398 9.567 1.00 1.22 C ATOM 1685 CD GLU A 109 13.976 -9.840 9.137 1.00 1.93 C ATOM 1686 OE1 GLU A 109 14.558 -10.628 9.913 1.00 2.37 O ATOM 1687 OE2 GLU A 109 13.528 -10.181 8.025 1.00 2.60 O ATOM 0 H GLU A 109 11.779 -9.844 9.287 1.00 0.83 H new ATOM 0 HA GLU A 109 11.103 -8.425 11.742 1.00 0.86 H new ATOM 0 HB2 GLU A 109 13.312 -7.302 11.331 1.00 0.95 H new ATOM 0 HB3 GLU A 109 13.392 -9.037 11.562 1.00 0.95 H new ATOM 0 HG2 GLU A 109 13.286 -7.848 8.787 1.00 1.22 H new ATOM 0 HG3 GLU A 109 14.797 -7.941 9.671 1.00 1.22 H new ATOM 1694 N ARG A 110 11.060 -7.023 8.756 1.00 0.63 N ATOM 1695 CA ARG A 110 10.571 -5.857 8.025 1.00 0.64 C ATOM 1696 C ARG A 110 9.268 -6.175 7.299 1.00 0.66 C ATOM 1697 O ARG A 110 8.378 -5.330 7.200 1.00 0.77 O ATOM 1698 CB ARG A 110 11.628 -5.374 7.032 1.00 0.63 C ATOM 1699 CG ARG A 110 13.023 -5.305 7.629 1.00 0.86 C ATOM 1700 CD ARG A 110 13.990 -4.578 6.711 1.00 1.64 C ATOM 1701 NE ARG A 110 13.751 -3.138 6.697 1.00 2.22 N ATOM 1702 CZ ARG A 110 13.893 -2.356 7.763 1.00 2.77 C ATOM 1703 NH1 ARG A 110 14.284 -2.870 8.923 1.00 3.01 N ATOM 1704 NH2 ARG A 110 13.649 -1.058 7.671 1.00 3.68 N ATOM 0 H ARG A 110 11.452 -7.759 8.169 1.00 0.63 H new ATOM 0 HA ARG A 110 10.373 -5.062 8.744 1.00 0.64 H new ATOM 0 HB2 ARG A 110 11.641 -6.043 6.171 1.00 0.63 H new ATOM 0 HB3 ARG A 110 11.348 -4.387 6.665 1.00 0.63 H new ATOM 0 HG2 ARG A 110 12.982 -4.796 8.592 1.00 0.86 H new ATOM 0 HG3 ARG A 110 13.389 -6.314 7.817 1.00 0.86 H new ATOM 0 HD2 ARG A 110 15.013 -4.773 7.034 1.00 1.64 H new ATOM 0 HD3 ARG A 110 13.895 -4.971 5.699 1.00 1.64 H new ATOM 0 HE ARG A 110 13.459 -2.707 5.820 1.00 2.22 H new ATOM 0 HH11 ARG A 110 14.477 -3.869 8.999 1.00 3.01 H new ATOM 0 HH12 ARG A 110 14.392 -2.266 9.738 1.00 3.01 H new ATOM 0 HH21 ARG A 110 13.352 -0.657 6.782 1.00 3.68 H new ATOM 0 HH22 ARG A 110 13.758 -0.459 8.490 1.00 3.68 H new ATOM 1718 N LEU A 111 9.158 -7.403 6.797 1.00 0.62 N ATOM 1719 CA LEU A 111 7.958 -7.836 6.089 1.00 0.63 C ATOM 1720 C LEU A 111 6.793 -7.986 7.057 1.00 0.56 C ATOM 1721 O LEU A 111 6.962 -8.460 8.181 1.00 0.66 O ATOM 1722 CB LEU A 111 8.226 -9.158 5.348 1.00 0.73 C ATOM 1723 CG LEU A 111 7.012 -9.846 4.695 1.00 0.94 C ATOM 1724 CD1 LEU A 111 6.177 -10.591 5.724 1.00 1.15 C ATOM 1725 CD2 LEU A 111 6.152 -8.845 3.939 1.00 1.64 C ATOM 0 H LEU A 111 9.885 -8.115 6.868 1.00 0.62 H new ATOM 0 HA LEU A 111 7.692 -7.077 5.354 1.00 0.63 H new ATOM 0 HB2 LEU A 111 8.967 -8.968 4.572 1.00 0.73 H new ATOM 0 HB3 LEU A 111 8.675 -9.858 6.053 1.00 0.73 H new ATOM 0 HG LEU A 111 7.399 -10.573 3.981 1.00 0.94 H new ATOM 0 HD11 LEU A 111 5.329 -11.065 5.230 1.00 1.15 H new ATOM 0 HD12 LEU A 111 6.789 -11.354 6.206 1.00 1.15 H new ATOM 0 HD13 LEU A 111 5.814 -9.889 6.475 1.00 1.15 H new ATOM 0 HD21 LEU A 111 5.303 -9.361 3.489 1.00 1.64 H new ATOM 0 HD22 LEU A 111 5.789 -8.083 4.629 1.00 1.64 H new ATOM 0 HD23 LEU A 111 6.746 -8.373 3.156 1.00 1.64 H new ATOM 1737 N THR A 112 5.609 -7.583 6.610 1.00 0.46 N ATOM 1738 CA THR A 112 4.414 -7.676 7.432 1.00 0.42 C ATOM 1739 C THR A 112 3.205 -8.095 6.604 1.00 0.39 C ATOM 1740 O THR A 112 2.663 -7.302 5.832 1.00 0.43 O ATOM 1741 CB THR A 112 4.133 -6.336 8.116 1.00 0.45 C ATOM 1742 OG1 THR A 112 4.031 -5.298 7.158 1.00 0.65 O ATOM 1743 CG2 THR A 112 5.197 -5.938 9.116 1.00 0.68 C ATOM 0 H THR A 112 5.454 -7.189 5.682 1.00 0.46 H new ATOM 0 HA THR A 112 4.591 -8.438 8.191 1.00 0.42 H new ATOM 0 HB THR A 112 3.193 -6.475 8.650 1.00 0.45 H new ATOM 0 HG1 THR A 112 3.493 -5.605 6.399 1.00 0.65 H new ATOM 0 HG21 THR A 112 4.935 -4.979 9.563 1.00 0.68 H new ATOM 0 HG22 THR A 112 5.265 -6.696 9.896 1.00 0.68 H new ATOM 0 HG23 THR A 112 6.158 -5.852 8.610 1.00 0.68 H new ATOM 1751 N VAL A 113 2.774 -9.341 6.787 1.00 0.36 N ATOM 1752 CA VAL A 113 1.611 -9.863 6.082 1.00 0.38 C ATOM 1753 C VAL A 113 0.401 -8.976 6.410 1.00 0.32 C ATOM 1754 O VAL A 113 0.490 -8.183 7.345 1.00 0.30 O ATOM 1755 CB VAL A 113 1.360 -11.341 6.491 1.00 0.45 C ATOM 1756 CG1 VAL A 113 0.109 -11.496 7.349 1.00 1.52 C ATOM 1757 CG2 VAL A 113 1.297 -12.239 5.265 1.00 1.18 C ATOM 0 H VAL A 113 3.216 -10.008 7.420 1.00 0.36 H new ATOM 0 HA VAL A 113 1.780 -9.846 5.005 1.00 0.38 H new ATOM 0 HB VAL A 113 2.206 -11.654 7.103 1.00 0.45 H new ATOM 0 HG11 VAL A 113 -0.025 -12.546 7.610 1.00 1.52 H new ATOM 0 HG12 VAL A 113 0.217 -10.906 8.259 1.00 1.52 H new ATOM 0 HG13 VAL A 113 -0.760 -11.147 6.792 1.00 1.52 H new ATOM 0 HG21 VAL A 113 1.121 -13.268 5.577 1.00 1.18 H new ATOM 0 HG22 VAL A 113 0.485 -11.912 4.616 1.00 1.18 H new ATOM 0 HG23 VAL A 113 2.241 -12.181 4.723 1.00 1.18 H new ATOM 1767 N PRO A 114 -0.735 -9.083 5.667 1.00 0.35 N ATOM 1768 CA PRO A 114 -1.933 -8.284 5.899 1.00 0.36 C ATOM 1769 C PRO A 114 -2.004 -7.700 7.307 1.00 0.33 C ATOM 1770 O PRO A 114 -2.577 -8.296 8.220 1.00 0.35 O ATOM 1771 CB PRO A 114 -3.028 -9.314 5.654 1.00 0.43 C ATOM 1772 CG PRO A 114 -2.473 -10.204 4.575 1.00 0.46 C ATOM 1773 CD PRO A 114 -0.971 -9.990 4.536 1.00 0.42 C ATOM 0 HA PRO A 114 -1.992 -7.399 5.265 1.00 0.36 H new ATOM 0 HB2 PRO A 114 -3.251 -9.879 6.559 1.00 0.43 H new ATOM 0 HB3 PRO A 114 -3.957 -8.839 5.338 1.00 0.43 H new ATOM 0 HG2 PRO A 114 -2.706 -11.248 4.782 1.00 0.46 H new ATOM 0 HG3 PRO A 114 -2.920 -9.962 3.611 1.00 0.46 H new ATOM 0 HD2 PRO A 114 -0.427 -10.928 4.651 1.00 0.42 H new ATOM 0 HD3 PRO A 114 -0.651 -9.549 3.592 1.00 0.42 H new ATOM 1781 N HIS A 115 -1.387 -6.531 7.463 1.00 0.33 N ATOM 1782 CA HIS A 115 -1.330 -5.838 8.741 1.00 0.33 C ATOM 1783 C HIS A 115 -2.723 -5.474 9.237 1.00 0.34 C ATOM 1784 O HIS A 115 -3.507 -4.862 8.514 1.00 0.46 O ATOM 1785 CB HIS A 115 -0.474 -4.575 8.602 1.00 0.39 C ATOM 1786 CG HIS A 115 -0.150 -3.913 9.903 1.00 0.44 C ATOM 1787 ND1 HIS A 115 -1.109 -3.441 10.772 1.00 0.97 N ATOM 1788 CD2 HIS A 115 1.044 -3.638 10.480 1.00 0.76 C ATOM 1789 CE1 HIS A 115 -0.521 -2.904 11.826 1.00 0.87 C ATOM 1790 NE2 HIS A 115 0.784 -3.012 11.673 1.00 0.67 N ATOM 0 H HIS A 115 -0.913 -6.040 6.705 1.00 0.33 H new ATOM 0 HA HIS A 115 -0.880 -6.507 9.474 1.00 0.33 H new ATOM 0 HB2 HIS A 115 0.456 -4.833 8.096 1.00 0.39 H new ATOM 0 HB3 HIS A 115 -0.997 -3.863 7.964 1.00 0.39 H new ATOM 0 HD2 HIS A 115 2.019 -3.868 10.076 1.00 0.76 H new ATOM 0 HE1 HIS A 115 -1.024 -2.453 12.669 1.00 0.87 H new ATOM 0 HE2 HIS A 115 1.487 -2.683 12.335 1.00 0.67 H new ATOM 1799 N TYR A 116 -3.016 -5.846 10.480 1.00 0.34 N ATOM 1800 CA TYR A 116 -4.310 -5.549 11.085 1.00 0.42 C ATOM 1801 C TYR A 116 -4.475 -4.047 11.295 1.00 0.43 C ATOM 1802 O TYR A 116 -4.291 -3.531 12.397 1.00 0.49 O ATOM 1803 CB TYR A 116 -4.482 -6.304 12.409 1.00 0.52 C ATOM 1804 CG TYR A 116 -3.200 -6.496 13.197 1.00 0.70 C ATOM 1805 CD1 TYR A 116 -2.296 -5.455 13.380 1.00 1.13 C ATOM 1806 CD2 TYR A 116 -2.894 -7.731 13.753 1.00 0.89 C ATOM 1807 CE1 TYR A 116 -1.127 -5.641 14.093 1.00 1.64 C ATOM 1808 CE2 TYR A 116 -1.729 -7.924 14.468 1.00 1.31 C ATOM 1809 CZ TYR A 116 -0.849 -6.878 14.635 1.00 1.68 C ATOM 1810 OH TYR A 116 0.314 -7.067 15.345 1.00 2.22 O ATOM 0 H TYR A 116 -2.374 -6.354 11.088 1.00 0.34 H new ATOM 0 HA TYR A 116 -5.088 -5.886 10.401 1.00 0.42 H new ATOM 0 HB2 TYR A 116 -5.197 -5.764 13.030 1.00 0.52 H new ATOM 0 HB3 TYR A 116 -4.915 -7.282 12.201 1.00 0.52 H new ATOM 0 HD1 TYR A 116 -2.511 -4.485 12.958 1.00 1.13 H new ATOM 0 HD2 TYR A 116 -3.580 -8.555 13.624 1.00 0.89 H new ATOM 0 HE1 TYR A 116 -0.435 -4.822 14.225 1.00 1.64 H new ATOM 0 HE2 TYR A 116 -1.509 -8.891 14.895 1.00 1.31 H new ATOM 0 HH TYR A 116 0.358 -7.994 15.660 1.00 2.22 H new ATOM 1820 N ASP A 117 -4.820 -3.358 10.218 1.00 0.42 N ATOM 1821 CA ASP A 117 -5.012 -1.917 10.246 1.00 0.50 C ATOM 1822 C ASP A 117 -5.718 -1.472 8.972 1.00 0.52 C ATOM 1823 O ASP A 117 -6.579 -0.595 8.994 1.00 0.73 O ATOM 1824 CB ASP A 117 -3.659 -1.208 10.380 1.00 0.52 C ATOM 1825 CG ASP A 117 -3.786 0.299 10.512 1.00 0.67 C ATOM 1826 OD1 ASP A 117 -4.928 0.803 10.544 1.00 1.07 O ATOM 1827 OD2 ASP A 117 -2.739 0.975 10.592 1.00 0.87 O ATOM 0 H ASP A 117 -4.974 -3.781 9.303 1.00 0.42 H new ATOM 0 HA ASP A 117 -5.628 -1.652 11.105 1.00 0.50 H new ATOM 0 HB2 ASP A 117 -3.135 -1.600 11.252 1.00 0.52 H new ATOM 0 HB3 ASP A 117 -3.046 -1.440 9.509 1.00 0.52 H new ATOM 1832 N MET A 118 -5.344 -2.100 7.861 1.00 0.38 N ATOM 1833 CA MET A 118 -5.930 -1.792 6.562 1.00 0.39 C ATOM 1834 C MET A 118 -7.430 -2.074 6.540 1.00 0.38 C ATOM 1835 O MET A 118 -8.184 -1.387 5.853 1.00 0.45 O ATOM 1836 CB MET A 118 -5.214 -2.588 5.464 1.00 0.44 C ATOM 1837 CG MET A 118 -4.971 -4.049 5.813 1.00 0.48 C ATOM 1838 SD MET A 118 -6.438 -5.079 5.622 1.00 1.29 S ATOM 1839 CE MET A 118 -6.631 -5.065 3.843 1.00 2.05 C ATOM 0 H MET A 118 -4.632 -2.830 7.836 1.00 0.38 H new ATOM 0 HA MET A 118 -5.797 -0.726 6.375 1.00 0.39 H new ATOM 0 HB2 MET A 118 -5.805 -2.538 4.550 1.00 0.44 H new ATOM 0 HB3 MET A 118 -4.257 -2.112 5.251 1.00 0.44 H new ATOM 0 HG2 MET A 118 -4.176 -4.440 5.178 1.00 0.48 H new ATOM 0 HG3 MET A 118 -4.619 -4.116 6.843 1.00 0.48 H new ATOM 0 HE1 MET A 118 -7.304 -5.868 3.544 1.00 2.05 H new ATOM 0 HE2 MET A 118 -7.047 -4.107 3.530 1.00 2.05 H new ATOM 0 HE3 MET A 118 -5.660 -5.211 3.370 1.00 2.05 H new ATOM 1849 N LYS A 119 -7.857 -3.083 7.291 1.00 0.40 N ATOM 1850 CA LYS A 119 -9.269 -3.450 7.347 1.00 0.47 C ATOM 1851 C LYS A 119 -10.088 -2.409 8.109 1.00 0.50 C ATOM 1852 O LYS A 119 -11.316 -2.415 8.053 1.00 0.80 O ATOM 1853 CB LYS A 119 -9.436 -4.828 7.990 1.00 0.57 C ATOM 1854 CG LYS A 119 -8.772 -4.953 9.351 1.00 0.69 C ATOM 1855 CD LYS A 119 -9.015 -6.322 9.968 1.00 0.80 C ATOM 1856 CE LYS A 119 -8.455 -7.439 9.099 1.00 1.02 C ATOM 1857 NZ LYS A 119 -6.993 -7.287 8.876 1.00 1.93 N ATOM 0 H LYS A 119 -7.247 -3.661 7.869 1.00 0.40 H new ATOM 0 HA LYS A 119 -9.643 -3.487 6.324 1.00 0.47 H new ATOM 0 HB2 LYS A 119 -10.499 -5.044 8.093 1.00 0.57 H new ATOM 0 HB3 LYS A 119 -9.021 -5.583 7.323 1.00 0.57 H new ATOM 0 HG2 LYS A 119 -7.700 -4.783 9.251 1.00 0.69 H new ATOM 0 HG3 LYS A 119 -9.156 -4.180 10.016 1.00 0.69 H new ATOM 0 HD2 LYS A 119 -8.554 -6.363 10.955 1.00 0.80 H new ATOM 0 HD3 LYS A 119 -10.085 -6.473 10.109 1.00 0.80 H new ATOM 0 HE2 LYS A 119 -8.652 -8.401 9.572 1.00 1.02 H new ATOM 0 HE3 LYS A 119 -8.970 -7.445 8.138 1.00 1.02 H new ATOM 0 HZ1 LYS A 119 -6.650 -8.067 8.280 1.00 1.93 H new ATOM 0 HZ2 LYS A 119 -6.807 -6.381 8.401 1.00 1.93 H new ATOM 0 HZ3 LYS A 119 -6.498 -7.307 9.791 1.00 1.93 H new ATOM 1871 N ASN A 120 -9.403 -1.510 8.811 1.00 0.49 N ATOM 1872 CA ASN A 120 -10.078 -0.461 9.570 1.00 0.52 C ATOM 1873 C ASN A 120 -9.744 0.922 9.015 1.00 0.56 C ATOM 1874 O ASN A 120 -9.989 1.940 9.664 1.00 0.74 O ATOM 1875 CB ASN A 120 -9.723 -0.550 11.059 1.00 0.53 C ATOM 1876 CG ASN A 120 -8.297 -1.001 11.299 1.00 1.17 C ATOM 1877 OD1 ASN A 120 -7.926 -2.122 10.954 1.00 2.11 O ATOM 1878 ND2 ASN A 120 -7.492 -0.133 11.898 1.00 1.30 N ATOM 0 H ASN A 120 -8.385 -1.487 8.870 1.00 0.49 H new ATOM 0 HA ASN A 120 -11.152 -0.613 9.467 1.00 0.52 H new ATOM 0 HB2 ASN A 120 -9.873 0.425 11.522 1.00 0.53 H new ATOM 0 HB3 ASN A 120 -10.406 -1.244 11.549 1.00 0.53 H new ATOM 0 HD21 ASN A 120 -6.522 -0.385 12.090 1.00 1.30 H new ATOM 0 HD22 ASN A 120 -7.843 0.786 12.167 1.00 1.30 H new ATOM 1885 N ARG A 121 -9.205 0.948 7.797 1.00 0.49 N ATOM 1886 CA ARG A 121 -8.859 2.201 7.128 1.00 0.58 C ATOM 1887 C ARG A 121 -9.571 2.277 5.780 1.00 0.63 C ATOM 1888 O ARG A 121 -10.188 1.303 5.346 1.00 1.07 O ATOM 1889 CB ARG A 121 -7.346 2.311 6.917 1.00 0.64 C ATOM 1890 CG ARG A 121 -6.523 2.204 8.194 1.00 0.91 C ATOM 1891 CD ARG A 121 -6.395 3.531 8.935 1.00 1.24 C ATOM 1892 NE ARG A 121 -7.650 3.977 9.537 1.00 1.84 N ATOM 1893 CZ ARG A 121 -8.501 4.808 8.948 1.00 2.55 C ATOM 1894 NH1 ARG A 121 -8.228 5.309 7.752 1.00 2.86 N ATOM 1895 NH2 ARG A 121 -9.625 5.148 9.561 1.00 3.50 N ATOM 0 H ARG A 121 -8.998 0.111 7.251 1.00 0.49 H new ATOM 0 HA ARG A 121 -9.179 3.028 7.762 1.00 0.58 H new ATOM 0 HB2 ARG A 121 -7.030 1.527 6.229 1.00 0.64 H new ATOM 0 HB3 ARG A 121 -7.127 3.265 6.437 1.00 0.64 H new ATOM 0 HG2 ARG A 121 -6.982 1.468 8.855 1.00 0.91 H new ATOM 0 HG3 ARG A 121 -5.528 1.834 7.948 1.00 0.91 H new ATOM 0 HD2 ARG A 121 -5.640 3.433 9.715 1.00 1.24 H new ATOM 0 HD3 ARG A 121 -6.040 4.294 8.242 1.00 1.24 H new ATOM 0 HE ARG A 121 -7.886 3.629 10.466 1.00 1.84 H new ATOM 0 HH11 ARG A 121 -7.360 5.056 7.279 1.00 2.86 H new ATOM 0 HH12 ARG A 121 -8.886 5.947 7.304 1.00 2.86 H new ATOM 0 HH21 ARG A 121 -9.836 4.771 10.485 1.00 3.50 H new ATOM 0 HH22 ARG A 121 -10.279 5.787 9.109 1.00 3.50 H new ATOM 1909 N GLY A 122 -9.492 3.431 5.123 1.00 0.62 N ATOM 1910 CA GLY A 122 -10.151 3.592 3.839 1.00 0.61 C ATOM 1911 C GLY A 122 -9.195 3.624 2.662 1.00 0.56 C ATOM 1912 O GLY A 122 -9.540 3.173 1.571 1.00 0.70 O ATOM 0 H GLY A 122 -8.987 4.253 5.454 1.00 0.62 H new ATOM 0 HA2 GLY A 122 -10.858 2.775 3.699 1.00 0.61 H new ATOM 0 HA3 GLY A 122 -10.729 4.516 3.851 1.00 0.61 H new ATOM 1916 N PHE A 123 -8.001 4.171 2.866 1.00 0.52 N ATOM 1917 CA PHE A 123 -7.023 4.264 1.786 1.00 0.58 C ATOM 1918 C PHE A 123 -6.259 2.957 1.589 1.00 0.42 C ATOM 1919 O PHE A 123 -5.225 2.930 0.922 1.00 0.43 O ATOM 1920 CB PHE A 123 -6.058 5.428 2.031 1.00 0.84 C ATOM 1921 CG PHE A 123 -5.390 5.416 3.376 1.00 1.19 C ATOM 1922 CD1 PHE A 123 -4.481 4.427 3.713 1.00 1.62 C ATOM 1923 CD2 PHE A 123 -5.673 6.404 4.302 1.00 2.11 C ATOM 1924 CE1 PHE A 123 -3.866 4.426 4.949 1.00 2.59 C ATOM 1925 CE2 PHE A 123 -5.062 6.407 5.540 1.00 3.16 C ATOM 1926 CZ PHE A 123 -4.158 5.417 5.864 1.00 3.31 C ATOM 0 H PHE A 123 -7.689 4.553 3.759 1.00 0.52 H new ATOM 0 HA PHE A 123 -7.574 4.455 0.865 1.00 0.58 H new ATOM 0 HB2 PHE A 123 -5.289 5.414 1.258 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -6.604 6.365 1.920 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -4.251 3.648 3.001 1.00 1.62 H new ATOM 0 HD2 PHE A 123 -6.380 7.182 4.054 1.00 2.11 H new ATOM 0 HE1 PHE A 123 -3.157 3.651 5.200 1.00 2.59 H new ATOM 0 HE2 PHE A 123 -5.292 7.184 6.254 1.00 3.16 H new ATOM 0 HZ PHE A 123 -3.679 5.417 6.832 1.00 3.31 H new ATOM 1936 N MET A 124 -6.780 1.873 2.155 1.00 0.37 N ATOM 1937 CA MET A 124 -6.149 0.565 2.018 1.00 0.38 C ATOM 1938 C MET A 124 -7.148 -0.464 1.499 1.00 0.38 C ATOM 1939 O MET A 124 -6.767 -1.451 0.872 1.00 0.57 O ATOM 1940 CB MET A 124 -5.560 0.105 3.352 1.00 0.50 C ATOM 1941 CG MET A 124 -4.373 0.938 3.808 1.00 0.90 C ATOM 1942 SD MET A 124 -3.641 0.327 5.336 1.00 1.99 S ATOM 1943 CE MET A 124 -2.273 1.462 5.540 1.00 2.44 C ATOM 0 H MET A 124 -7.635 1.874 2.711 1.00 0.37 H new ATOM 0 HA MET A 124 -5.338 0.656 1.295 1.00 0.38 H new ATOM 0 HB2 MET A 124 -6.336 0.144 4.116 1.00 0.50 H new ATOM 0 HB3 MET A 124 -5.251 -0.937 3.264 1.00 0.50 H new ATOM 0 HG2 MET A 124 -3.616 0.944 3.024 1.00 0.90 H new ATOM 0 HG3 MET A 124 -4.692 1.970 3.950 1.00 0.90 H new ATOM 0 HE1 MET A 124 -1.414 0.928 5.947 1.00 2.44 H new ATOM 0 HE2 MET A 124 -2.009 1.891 4.573 1.00 2.44 H new ATOM 0 HE3 MET A 124 -2.561 2.260 6.225 1.00 2.44 H new ATOM 1953 N LEU A 125 -8.428 -0.218 1.751 1.00 0.37 N ATOM 1954 CA LEU A 125 -9.483 -1.116 1.294 1.00 0.41 C ATOM 1955 C LEU A 125 -10.100 -0.594 0.004 1.00 0.34 C ATOM 1956 O LEU A 125 -10.281 -1.340 -0.959 1.00 0.40 O ATOM 1957 CB LEU A 125 -10.565 -1.260 2.364 1.00 0.53 C ATOM 1958 CG LEU A 125 -10.110 -1.909 3.670 1.00 0.61 C ATOM 1959 CD1 LEU A 125 -11.237 -1.897 4.690 1.00 0.85 C ATOM 1960 CD2 LEU A 125 -9.633 -3.332 3.421 1.00 0.76 C ATOM 0 H LEU A 125 -8.761 0.595 2.269 1.00 0.37 H new ATOM 0 HA LEU A 125 -9.041 -2.095 1.106 1.00 0.41 H new ATOM 0 HB2 LEU A 125 -10.964 -0.271 2.589 1.00 0.53 H new ATOM 0 HB3 LEU A 125 -11.385 -1.848 1.951 1.00 0.53 H new ATOM 0 HG LEU A 125 -9.276 -1.332 4.069 1.00 0.61 H new ATOM 0 HD11 LEU A 125 -10.896 -2.363 5.614 1.00 0.85 H new ATOM 0 HD12 LEU A 125 -11.535 -0.868 4.891 1.00 0.85 H new ATOM 0 HD13 LEU A 125 -12.089 -2.451 4.297 1.00 0.85 H new ATOM 0 HD21 LEU A 125 -9.313 -3.778 4.362 1.00 0.76 H new ATOM 0 HD22 LEU A 125 -10.448 -3.920 2.999 1.00 0.76 H new ATOM 0 HD23 LEU A 125 -8.796 -3.318 2.723 1.00 0.76 H new ATOM 1972 N TRP A 126 -10.416 0.696 -0.003 1.00 0.31 N ATOM 1973 CA TRP A 126 -11.010 1.339 -1.169 1.00 0.32 C ATOM 1974 C TRP A 126 -10.111 1.184 -2.400 1.00 0.29 C ATOM 1975 O TRP A 126 -10.573 0.725 -3.445 1.00 0.31 O ATOM 1976 CB TRP A 126 -11.284 2.819 -0.872 1.00 0.38 C ATOM 1977 CG TRP A 126 -11.876 3.580 -2.021 1.00 0.46 C ATOM 1978 CD1 TRP A 126 -11.511 4.826 -2.441 1.00 0.46 C ATOM 1979 CD2 TRP A 126 -12.938 3.160 -2.890 1.00 0.93 C ATOM 1980 NE1 TRP A 126 -12.276 5.207 -3.516 1.00 0.54 N ATOM 1981 CE2 TRP A 126 -13.157 4.202 -3.812 1.00 0.94 C ATOM 1982 CE3 TRP A 126 -13.723 2.005 -2.982 1.00 1.45 C ATOM 1983 CZ2 TRP A 126 -14.126 4.125 -4.808 1.00 1.42 C ATOM 1984 CZ3 TRP A 126 -14.685 1.931 -3.973 1.00 1.96 C ATOM 1985 CH2 TRP A 126 -14.877 2.986 -4.875 1.00 1.93 C ATOM 0 H TRP A 126 -10.270 1.320 0.790 1.00 0.31 H new ATOM 0 HA TRP A 126 -11.958 0.848 -1.390 1.00 0.32 H new ATOM 0 HB2 TRP A 126 -11.960 2.887 -0.020 1.00 0.38 H new ATOM 0 HB3 TRP A 126 -10.350 3.297 -0.577 1.00 0.38 H new ATOM 0 HD1 TRP A 126 -10.733 5.426 -1.993 1.00 0.46 H new ATOM 0 HE1 TRP A 126 -12.200 6.094 -4.013 1.00 0.54 H new ATOM 0 HE3 TRP A 126 -13.580 1.187 -2.292 1.00 1.45 H new ATOM 0 HZ2 TRP A 126 -14.279 4.937 -5.503 1.00 1.42 H new ATOM 0 HZ3 TRP A 126 -15.298 1.046 -4.053 1.00 1.96 H new ATOM 0 HH2 TRP A 126 -15.635 2.897 -5.639 1.00 1.93 H new ATOM 1996 N PRO A 127 -8.811 1.552 -2.310 1.00 0.28 N ATOM 1997 CA PRO A 127 -7.886 1.424 -3.441 1.00 0.29 C ATOM 1998 C PRO A 127 -7.710 -0.028 -3.877 1.00 0.28 C ATOM 1999 O PRO A 127 -7.763 -0.338 -5.068 1.00 0.31 O ATOM 2000 CB PRO A 127 -6.562 1.982 -2.905 1.00 0.30 C ATOM 2001 CG PRO A 127 -6.930 2.779 -1.702 1.00 0.31 C ATOM 2002 CD PRO A 127 -8.139 2.108 -1.121 1.00 0.29 C ATOM 0 HA PRO A 127 -8.253 1.951 -4.321 1.00 0.29 H new ATOM 0 HB2 PRO A 127 -5.872 1.178 -2.648 1.00 0.30 H new ATOM 0 HB3 PRO A 127 -6.066 2.602 -3.651 1.00 0.30 H new ATOM 0 HG2 PRO A 127 -6.112 2.801 -0.982 1.00 0.31 H new ATOM 0 HG3 PRO A 127 -7.147 3.813 -1.970 1.00 0.31 H new ATOM 0 HD2 PRO A 127 -7.866 1.328 -0.410 1.00 0.29 H new ATOM 0 HD3 PRO A 127 -8.777 2.814 -0.590 1.00 0.29 H new ATOM 2010 N LEU A 128 -7.507 -0.917 -2.904 1.00 0.25 N ATOM 2011 CA LEU A 128 -7.333 -2.341 -3.186 1.00 0.26 C ATOM 2012 C LEU A 128 -8.556 -2.915 -3.892 1.00 0.27 C ATOM 2013 O LEU A 128 -8.454 -3.894 -4.632 1.00 0.29 O ATOM 2014 CB LEU A 128 -7.077 -3.122 -1.894 1.00 0.26 C ATOM 2015 CG LEU A 128 -5.605 -3.358 -1.542 1.00 0.29 C ATOM 2016 CD1 LEU A 128 -4.883 -2.042 -1.305 1.00 0.30 C ATOM 2017 CD2 LEU A 128 -5.493 -4.257 -0.320 1.00 0.44 C ATOM 0 H LEU A 128 -7.459 -0.676 -1.914 1.00 0.25 H new ATOM 0 HA LEU A 128 -6.469 -2.441 -3.843 1.00 0.26 H new ATOM 0 HB2 LEU A 128 -7.548 -2.588 -1.069 1.00 0.26 H new ATOM 0 HB3 LEU A 128 -7.573 -4.090 -1.972 1.00 0.26 H new ATOM 0 HG LEU A 128 -5.128 -3.855 -2.387 1.00 0.29 H new ATOM 0 HD11 LEU A 128 -3.840 -2.239 -1.057 1.00 0.30 H new ATOM 0 HD12 LEU A 128 -4.933 -1.432 -2.207 1.00 0.30 H new ATOM 0 HD13 LEU A 128 -5.358 -1.510 -0.481 1.00 0.30 H new ATOM 0 HD21 LEU A 128 -4.442 -4.417 -0.081 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -5.990 -3.784 0.527 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -5.967 -5.216 -0.529 1.00 0.44 H new ATOM 2029 N PHE A 129 -9.712 -2.306 -3.652 1.00 0.28 N ATOM 2030 CA PHE A 129 -10.961 -2.756 -4.257 1.00 0.30 C ATOM 2031 C PHE A 129 -10.885 -2.690 -5.783 1.00 0.30 C ATOM 2032 O PHE A 129 -11.659 -3.342 -6.483 1.00 0.32 O ATOM 2033 CB PHE A 129 -12.126 -1.898 -3.757 1.00 0.36 C ATOM 2034 CG PHE A 129 -13.477 -2.384 -4.200 1.00 0.42 C ATOM 2035 CD1 PHE A 129 -13.894 -3.675 -3.914 1.00 0.47 C ATOM 2036 CD2 PHE A 129 -14.333 -1.549 -4.899 1.00 0.48 C ATOM 2037 CE1 PHE A 129 -15.137 -4.122 -4.318 1.00 0.55 C ATOM 2038 CE2 PHE A 129 -15.578 -1.990 -5.305 1.00 0.56 C ATOM 2039 CZ PHE A 129 -15.980 -3.280 -5.015 1.00 0.58 C ATOM 0 H PHE A 129 -9.810 -1.496 -3.040 1.00 0.28 H new ATOM 0 HA PHE A 129 -11.126 -3.793 -3.965 1.00 0.30 H new ATOM 0 HB2 PHE A 129 -12.101 -1.869 -2.668 1.00 0.36 H new ATOM 0 HB3 PHE A 129 -11.987 -0.875 -4.107 1.00 0.36 H new ATOM 0 HD1 PHE A 129 -13.239 -4.339 -3.369 1.00 0.47 H new ATOM 0 HD2 PHE A 129 -14.023 -0.540 -5.130 1.00 0.48 H new ATOM 0 HE1 PHE A 129 -15.449 -5.130 -4.089 1.00 0.55 H new ATOM 0 HE2 PHE A 129 -16.236 -1.328 -5.848 1.00 0.56 H new ATOM 0 HZ PHE A 129 -16.951 -3.629 -5.333 1.00 0.58 H new ATOM 2049 N GLU A 130 -9.947 -1.891 -6.285 1.00 0.29 N ATOM 2050 CA GLU A 130 -9.761 -1.723 -7.724 1.00 0.31 C ATOM 2051 C GLU A 130 -8.717 -2.685 -8.279 1.00 0.29 C ATOM 2052 O GLU A 130 -8.926 -3.311 -9.319 1.00 0.32 O ATOM 2053 CB GLU A 130 -9.325 -0.288 -8.032 1.00 0.36 C ATOM 2054 CG GLU A 130 -10.450 0.729 -7.989 1.00 0.93 C ATOM 2055 CD GLU A 130 -11.437 0.547 -9.123 1.00 1.41 C ATOM 2056 OE1 GLU A 130 -11.004 0.577 -10.294 1.00 2.43 O ATOM 2057 OE2 GLU A 130 -12.642 0.382 -8.842 1.00 1.52 O ATOM 0 H GLU A 130 -9.301 -1.347 -5.713 1.00 0.29 H new ATOM 0 HA GLU A 130 -10.717 -1.940 -8.201 1.00 0.31 H new ATOM 0 HB2 GLU A 130 -8.557 0.007 -7.317 1.00 0.36 H new ATOM 0 HB3 GLU A 130 -8.867 -0.264 -9.021 1.00 0.36 H new ATOM 0 HG2 GLU A 130 -10.975 0.646 -7.037 1.00 0.93 H new ATOM 0 HG3 GLU A 130 -10.030 1.734 -8.035 1.00 0.93 H new ATOM 2064 N ILE A 131 -7.582 -2.771 -7.596 1.00 0.26 N ATOM 2065 CA ILE A 131 -6.487 -3.624 -8.035 1.00 0.27 C ATOM 2066 C ILE A 131 -6.886 -5.099 -8.094 1.00 0.27 C ATOM 2067 O ILE A 131 -6.532 -5.800 -9.042 1.00 0.30 O ATOM 2068 CB ILE A 131 -5.252 -3.444 -7.132 1.00 0.27 C ATOM 2069 CG1 ILE A 131 -5.516 -3.972 -5.720 1.00 0.29 C ATOM 2070 CG2 ILE A 131 -4.873 -1.972 -7.080 1.00 0.32 C ATOM 2071 CD1 ILE A 131 -4.305 -3.905 -4.814 1.00 0.59 C ATOM 0 H ILE A 131 -7.397 -2.259 -6.734 1.00 0.26 H new ATOM 0 HA ILE A 131 -6.235 -3.312 -9.048 1.00 0.27 H new ATOM 0 HB ILE A 131 -4.428 -4.019 -7.553 1.00 0.27 H new ATOM 0 HG12 ILE A 131 -6.327 -3.398 -5.272 1.00 0.29 H new ATOM 0 HG13 ILE A 131 -5.855 -5.006 -5.785 1.00 0.29 H new ATOM 0 HG21 ILE A 131 -3.999 -1.844 -6.441 1.00 0.32 H new ATOM 0 HG22 ILE A 131 -4.642 -1.620 -8.085 1.00 0.32 H new ATOM 0 HG23 ILE A 131 -5.706 -1.396 -6.676 1.00 0.32 H new ATOM 0 HD11 ILE A 131 -4.565 -4.295 -3.830 1.00 0.59 H new ATOM 0 HD12 ILE A 131 -3.499 -4.502 -5.240 1.00 0.59 H new ATOM 0 HD13 ILE A 131 -3.979 -2.869 -4.719 1.00 0.59 H new ATOM 2083 N ALA A 132 -7.624 -5.566 -7.086 1.00 0.24 N ATOM 2084 CA ALA A 132 -8.066 -6.959 -7.042 1.00 0.25 C ATOM 2085 C ALA A 132 -8.913 -7.235 -5.801 1.00 0.23 C ATOM 2086 O ALA A 132 -8.392 -7.641 -4.764 1.00 0.28 O ATOM 2087 CB ALA A 132 -6.872 -7.903 -7.082 1.00 0.30 C ATOM 0 H ALA A 132 -7.927 -5.002 -6.292 1.00 0.24 H new ATOM 0 HA ALA A 132 -8.685 -7.136 -7.922 1.00 0.25 H new ATOM 0 HB1 ALA A 132 -7.222 -8.935 -7.048 1.00 0.30 H new ATOM 0 HB2 ALA A 132 -6.310 -7.740 -8.002 1.00 0.30 H new ATOM 0 HB3 ALA A 132 -6.227 -7.711 -6.224 1.00 0.30 H new ATOM 2093 N PRO A 133 -10.236 -7.020 -5.885 1.00 0.25 N ATOM 2094 CA PRO A 133 -11.141 -7.251 -4.760 1.00 0.31 C ATOM 2095 C PRO A 133 -11.521 -8.721 -4.609 1.00 0.35 C ATOM 2096 O PRO A 133 -12.331 -9.078 -3.753 1.00 0.45 O ATOM 2097 CB PRO A 133 -12.361 -6.418 -5.135 1.00 0.37 C ATOM 2098 CG PRO A 133 -12.393 -6.455 -6.625 1.00 0.37 C ATOM 2099 CD PRO A 133 -10.958 -6.536 -7.080 1.00 0.29 C ATOM 0 HA PRO A 133 -10.692 -6.981 -3.804 1.00 0.31 H new ATOM 0 HB2 PRO A 133 -13.273 -6.835 -4.708 1.00 0.37 H new ATOM 0 HB3 PRO A 133 -12.273 -5.397 -4.765 1.00 0.37 H new ATOM 0 HG2 PRO A 133 -12.962 -7.314 -6.980 1.00 0.37 H new ATOM 0 HG3 PRO A 133 -12.878 -5.564 -7.025 1.00 0.37 H new ATOM 0 HD2 PRO A 133 -10.843 -7.220 -7.921 1.00 0.29 H new ATOM 0 HD3 PRO A 133 -10.586 -5.565 -7.406 1.00 0.29 H new ATOM 2107 N GLU A 134 -10.932 -9.567 -5.447 1.00 0.32 N ATOM 2108 CA GLU A 134 -11.209 -10.999 -5.412 1.00 0.37 C ATOM 2109 C GLU A 134 -10.237 -11.729 -4.488 1.00 0.37 C ATOM 2110 O GLU A 134 -10.117 -12.954 -4.543 1.00 0.52 O ATOM 2111 CB GLU A 134 -11.129 -11.584 -6.824 1.00 0.44 C ATOM 2112 CG GLU A 134 -9.808 -11.304 -7.522 1.00 0.46 C ATOM 2113 CD GLU A 134 -9.730 -11.933 -8.899 1.00 0.54 C ATOM 2114 OE1 GLU A 134 -10.612 -11.646 -9.734 1.00 1.14 O ATOM 2115 OE2 GLU A 134 -8.784 -12.708 -9.145 1.00 0.87 O ATOM 0 H GLU A 134 -10.259 -9.286 -6.160 1.00 0.32 H new ATOM 0 HA GLU A 134 -12.217 -11.138 -5.020 1.00 0.37 H new ATOM 0 HB2 GLU A 134 -11.282 -12.662 -6.771 1.00 0.44 H new ATOM 0 HB3 GLU A 134 -11.942 -11.176 -7.425 1.00 0.44 H new ATOM 0 HG2 GLU A 134 -9.670 -10.226 -7.611 1.00 0.46 H new ATOM 0 HG3 GLU A 134 -8.990 -11.681 -6.908 1.00 0.46 H new ATOM 2122 N LEU A 135 -9.549 -10.971 -3.638 1.00 0.30 N ATOM 2123 CA LEU A 135 -8.590 -11.548 -2.698 1.00 0.35 C ATOM 2124 C LEU A 135 -9.317 -12.094 -1.475 1.00 0.34 C ATOM 2125 O LEU A 135 -10.200 -11.438 -0.929 1.00 0.39 O ATOM 2126 CB LEU A 135 -7.560 -10.485 -2.283 1.00 0.41 C ATOM 2127 CG LEU A 135 -6.370 -10.976 -1.440 1.00 0.69 C ATOM 2128 CD1 LEU A 135 -6.788 -11.268 -0.006 1.00 1.27 C ATOM 2129 CD2 LEU A 135 -5.736 -12.209 -2.068 1.00 1.41 C ATOM 0 H LEU A 135 -9.637 -9.956 -3.580 1.00 0.30 H new ATOM 0 HA LEU A 135 -8.066 -12.371 -3.184 1.00 0.35 H new ATOM 0 HB2 LEU A 135 -7.169 -10.018 -3.187 1.00 0.41 H new ATOM 0 HB3 LEU A 135 -8.079 -9.708 -1.721 1.00 0.41 H new ATOM 0 HG LEU A 135 -5.630 -10.176 -1.419 1.00 0.69 H new ATOM 0 HD11 LEU A 135 -5.924 -11.613 0.562 1.00 1.27 H new ATOM 0 HD12 LEU A 135 -7.183 -10.360 0.450 1.00 1.27 H new ATOM 0 HD13 LEU A 135 -7.557 -12.041 -0.001 1.00 1.27 H new ATOM 0 HD21 LEU A 135 -4.897 -12.539 -1.455 1.00 1.41 H new ATOM 0 HD22 LEU A 135 -6.476 -13.007 -2.130 1.00 1.41 H new ATOM 0 HD23 LEU A 135 -5.381 -11.965 -3.069 1.00 1.41 H new ATOM 2141 N VAL A 136 -8.943 -13.299 -1.049 1.00 0.36 N ATOM 2142 CA VAL A 136 -9.572 -13.924 0.110 1.00 0.38 C ATOM 2143 C VAL A 136 -8.534 -14.397 1.129 1.00 0.42 C ATOM 2144 O VAL A 136 -7.452 -14.856 0.764 1.00 0.53 O ATOM 2145 CB VAL A 136 -10.455 -15.116 -0.315 1.00 0.41 C ATOM 2146 CG1 VAL A 136 -9.628 -16.169 -1.036 1.00 0.46 C ATOM 2147 CG2 VAL A 136 -11.165 -15.716 0.889 1.00 0.44 C ATOM 0 H VAL A 136 -8.211 -13.859 -1.487 1.00 0.36 H new ATOM 0 HA VAL A 136 -10.197 -13.164 0.579 1.00 0.38 H new ATOM 0 HB VAL A 136 -11.213 -14.749 -1.007 1.00 0.41 H new ATOM 0 HG11 VAL A 136 -10.271 -17.000 -1.327 1.00 0.46 H new ATOM 0 HG12 VAL A 136 -9.177 -15.731 -1.926 1.00 0.46 H new ATOM 0 HG13 VAL A 136 -8.843 -16.532 -0.373 1.00 0.46 H new ATOM 0 HG21 VAL A 136 -11.782 -16.555 0.567 1.00 0.44 H new ATOM 0 HG22 VAL A 136 -10.426 -16.065 1.610 1.00 0.44 H new ATOM 0 HG23 VAL A 136 -11.796 -14.959 1.354 1.00 0.44 H new ATOM 2157 N PHE A 137 -8.881 -14.281 2.410 1.00 0.46 N ATOM 2158 CA PHE A 137 -7.998 -14.696 3.497 1.00 0.53 C ATOM 2159 C PHE A 137 -8.089 -16.207 3.720 1.00 0.57 C ATOM 2160 O PHE A 137 -9.040 -16.847 3.270 1.00 0.60 O ATOM 2161 CB PHE A 137 -8.360 -13.959 4.793 1.00 0.59 C ATOM 2162 CG PHE A 137 -8.010 -12.495 4.804 1.00 0.58 C ATOM 2163 CD1 PHE A 137 -8.398 -11.657 3.769 1.00 0.55 C ATOM 2164 CD2 PHE A 137 -7.297 -11.955 5.863 1.00 0.66 C ATOM 2165 CE1 PHE A 137 -8.082 -10.313 3.790 1.00 0.59 C ATOM 2166 CE2 PHE A 137 -6.977 -10.611 5.888 1.00 0.68 C ATOM 2167 CZ PHE A 137 -7.371 -9.789 4.852 1.00 0.64 C ATOM 0 H PHE A 137 -9.775 -13.900 2.721 1.00 0.46 H new ATOM 0 HA PHE A 137 -6.975 -14.443 3.217 1.00 0.53 H new ATOM 0 HB2 PHE A 137 -9.431 -14.064 4.967 1.00 0.59 H new ATOM 0 HB3 PHE A 137 -7.852 -14.446 5.626 1.00 0.59 H new ATOM 0 HD1 PHE A 137 -8.954 -12.061 2.936 1.00 0.55 H new ATOM 0 HD2 PHE A 137 -6.988 -12.592 6.678 1.00 0.66 H new ATOM 0 HE1 PHE A 137 -8.390 -9.672 2.977 1.00 0.59 H new ATOM 0 HE2 PHE A 137 -6.419 -10.204 6.718 1.00 0.68 H new ATOM 0 HZ PHE A 137 -7.124 -8.738 4.872 1.00 0.64 H new ATOM 2177 N PRO A 138 -7.099 -16.800 4.419 1.00 0.60 N ATOM 2178 CA PRO A 138 -7.078 -18.241 4.694 1.00 0.66 C ATOM 2179 C PRO A 138 -8.382 -18.755 5.302 1.00 0.73 C ATOM 2180 O PRO A 138 -8.822 -19.862 4.989 1.00 0.78 O ATOM 2181 CB PRO A 138 -5.929 -18.400 5.692 1.00 0.70 C ATOM 2182 CG PRO A 138 -5.028 -17.249 5.416 1.00 0.75 C ATOM 2183 CD PRO A 138 -5.920 -16.117 4.988 1.00 0.62 C ATOM 0 HA PRO A 138 -6.954 -18.817 3.777 1.00 0.66 H new ATOM 0 HB2 PRO A 138 -6.292 -18.382 6.720 1.00 0.70 H new ATOM 0 HB3 PRO A 138 -5.412 -19.350 5.553 1.00 0.70 H new ATOM 0 HG2 PRO A 138 -4.455 -16.980 6.304 1.00 0.75 H new ATOM 0 HG3 PRO A 138 -4.309 -17.495 4.635 1.00 0.75 H new ATOM 0 HD2 PRO A 138 -6.193 -15.481 5.830 1.00 0.62 H new ATOM 0 HD3 PRO A 138 -5.432 -15.479 4.251 1.00 0.62 H new ATOM 2191 N ASP A 139 -8.995 -17.959 6.178 1.00 0.77 N ATOM 2192 CA ASP A 139 -10.242 -18.368 6.818 1.00 0.87 C ATOM 2193 C ASP A 139 -11.424 -18.275 5.852 1.00 0.80 C ATOM 2194 O ASP A 139 -12.086 -19.278 5.588 1.00 1.03 O ATOM 2195 CB ASP A 139 -10.509 -17.548 8.086 1.00 0.92 C ATOM 2196 CG ASP A 139 -10.527 -16.057 7.840 1.00 1.33 C ATOM 2197 OD1 ASP A 139 -9.497 -15.519 7.388 1.00 1.72 O ATOM 2198 OD2 ASP A 139 -11.569 -15.424 8.107 1.00 1.91 O ATOM 0 H ASP A 139 -8.653 -17.039 6.457 1.00 0.77 H new ATOM 0 HA ASP A 139 -10.131 -19.413 7.108 1.00 0.87 H new ATOM 0 HB2 ASP A 139 -11.466 -17.851 8.512 1.00 0.92 H new ATOM 0 HB3 ASP A 139 -9.743 -17.778 8.827 1.00 0.92 H new ATOM 2203 N GLY A 140 -11.684 -17.083 5.315 1.00 0.59 N ATOM 2204 CA GLY A 140 -12.787 -16.937 4.378 1.00 0.59 C ATOM 2205 C GLY A 140 -13.372 -15.537 4.330 1.00 0.61 C ATOM 2206 O GLY A 140 -14.572 -15.356 4.537 1.00 0.95 O ATOM 0 H GLY A 140 -11.160 -16.229 5.508 1.00 0.59 H new ATOM 0 HA2 GLY A 140 -12.442 -17.211 3.381 1.00 0.59 H new ATOM 0 HA3 GLY A 140 -13.575 -17.640 4.647 1.00 0.59 H new ATOM 2210 N GLU A 141 -12.537 -14.547 4.036 1.00 0.51 N ATOM 2211 CA GLU A 141 -12.999 -13.166 3.942 1.00 0.62 C ATOM 2212 C GLU A 141 -12.232 -12.413 2.863 1.00 0.53 C ATOM 2213 O GLU A 141 -11.019 -12.550 2.741 1.00 0.59 O ATOM 2214 CB GLU A 141 -12.858 -12.451 5.286 1.00 0.86 C ATOM 2215 CG GLU A 141 -11.432 -12.383 5.800 1.00 1.38 C ATOM 2216 CD GLU A 141 -11.328 -11.640 7.116 1.00 2.15 C ATOM 2217 OE1 GLU A 141 -11.997 -12.052 8.086 1.00 2.53 O ATOM 2218 OE2 GLU A 141 -10.576 -10.645 7.176 1.00 2.76 O ATOM 0 H GLU A 141 -11.540 -14.673 3.859 1.00 0.51 H new ATOM 0 HA GLU A 141 -14.054 -13.184 3.670 1.00 0.62 H new ATOM 0 HB2 GLU A 141 -13.248 -11.438 5.190 1.00 0.86 H new ATOM 0 HB3 GLU A 141 -13.476 -12.962 6.025 1.00 0.86 H new ATOM 0 HG2 GLU A 141 -11.045 -13.394 5.925 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -10.804 -11.891 5.057 1.00 1.38 H new ATOM 2225 N MET A 142 -12.949 -11.622 2.077 1.00 0.48 N ATOM 2226 CA MET A 142 -12.336 -10.853 1.002 1.00 0.41 C ATOM 2227 C MET A 142 -12.331 -9.367 1.337 1.00 0.37 C ATOM 2228 O MET A 142 -13.119 -8.916 2.166 1.00 0.39 O ATOM 2229 CB MET A 142 -13.092 -11.093 -0.305 1.00 0.42 C ATOM 2230 CG MET A 142 -13.107 -12.552 -0.733 1.00 0.49 C ATOM 2231 SD MET A 142 -14.068 -12.829 -2.234 1.00 0.55 S ATOM 2232 CE MET A 142 -15.701 -12.342 -1.684 1.00 1.68 C ATOM 0 H MET A 142 -13.957 -11.496 2.164 1.00 0.48 H new ATOM 0 HA MET A 142 -11.303 -11.182 0.886 1.00 0.41 H new ATOM 0 HB2 MET A 142 -14.119 -10.744 -0.192 1.00 0.42 H new ATOM 0 HB3 MET A 142 -12.637 -10.495 -1.095 1.00 0.42 H new ATOM 0 HG2 MET A 142 -12.083 -12.889 -0.895 1.00 0.49 H new ATOM 0 HG3 MET A 142 -13.518 -13.159 0.074 1.00 0.49 H new ATOM 0 HE1 MET A 142 -16.441 -13.038 -2.079 1.00 1.68 H new ATOM 0 HE2 MET A 142 -15.737 -12.354 -0.595 1.00 1.68 H new ATOM 0 HE3 MET A 142 -15.921 -11.336 -2.043 1.00 1.68 H new ATOM 2242 N LEU A 143 -11.452 -8.603 0.687 1.00 0.38 N ATOM 2243 CA LEU A 143 -11.387 -7.168 0.934 1.00 0.39 C ATOM 2244 C LEU A 143 -12.722 -6.539 0.571 1.00 0.41 C ATOM 2245 O LEU A 143 -13.078 -5.468 1.064 1.00 0.50 O ATOM 2246 CB LEU A 143 -10.231 -6.518 0.157 1.00 0.44 C ATOM 2247 CG LEU A 143 -10.375 -6.468 -1.368 1.00 0.51 C ATOM 2248 CD1 LEU A 143 -11.276 -5.316 -1.792 1.00 1.38 C ATOM 2249 CD2 LEU A 143 -9.009 -6.338 -2.021 1.00 1.56 C ATOM 0 H LEU A 143 -10.786 -8.950 -0.003 1.00 0.38 H new ATOM 0 HA LEU A 143 -11.189 -6.997 1.992 1.00 0.39 H new ATOM 0 HB2 LEU A 143 -10.106 -5.498 0.521 1.00 0.44 H new ATOM 0 HB3 LEU A 143 -9.314 -7.057 0.396 1.00 0.44 H new ATOM 0 HG LEU A 143 -10.836 -7.399 -1.698 1.00 0.51 H new ATOM 0 HD11 LEU A 143 -11.362 -5.302 -2.879 1.00 1.38 H new ATOM 0 HD12 LEU A 143 -12.264 -5.446 -1.351 1.00 1.38 H new ATOM 0 HD13 LEU A 143 -10.847 -4.374 -1.450 1.00 1.38 H new ATOM 0 HD21 LEU A 143 -9.125 -6.304 -3.104 1.00 1.56 H new ATOM 0 HD22 LEU A 143 -8.528 -5.422 -1.678 1.00 1.56 H new ATOM 0 HD23 LEU A 143 -8.393 -7.195 -1.749 1.00 1.56 H new ATOM 2261 N ARG A 144 -13.471 -7.242 -0.274 1.00 0.39 N ATOM 2262 CA ARG A 144 -14.789 -6.796 -0.689 1.00 0.47 C ATOM 2263 C ARG A 144 -15.757 -7.018 0.466 1.00 0.49 C ATOM 2264 O ARG A 144 -16.620 -6.185 0.744 1.00 0.56 O ATOM 2265 CB ARG A 144 -15.235 -7.570 -1.936 1.00 0.54 C ATOM 2266 CG ARG A 144 -16.441 -6.978 -2.654 1.00 0.77 C ATOM 2267 CD ARG A 144 -17.740 -7.238 -1.911 1.00 0.88 C ATOM 2268 NE ARG A 144 -18.892 -6.714 -2.637 1.00 1.47 N ATOM 2269 CZ ARG A 144 -20.144 -6.819 -2.207 1.00 2.12 C ATOM 2270 NH1 ARG A 144 -20.404 -7.420 -1.056 1.00 2.68 N ATOM 2271 NH2 ARG A 144 -21.137 -6.324 -2.929 1.00 2.83 N ATOM 0 H ARG A 144 -13.181 -8.129 -0.685 1.00 0.39 H new ATOM 0 HA ARG A 144 -14.769 -5.737 -0.945 1.00 0.47 H new ATOM 0 HB2 ARG A 144 -14.400 -7.618 -2.635 1.00 0.54 H new ATOM 0 HB3 ARG A 144 -15.468 -8.595 -1.647 1.00 0.54 H new ATOM 0 HG2 ARG A 144 -16.300 -5.903 -2.770 1.00 0.77 H new ATOM 0 HG3 ARG A 144 -16.508 -7.401 -3.656 1.00 0.77 H new ATOM 0 HD2 ARG A 144 -17.863 -8.310 -1.758 1.00 0.88 H new ATOM 0 HD3 ARG A 144 -17.693 -6.779 -0.924 1.00 0.88 H new ATOM 0 HE ARG A 144 -18.726 -6.240 -3.525 1.00 1.47 H new ATOM 0 HH11 ARG A 144 -19.642 -7.804 -0.497 1.00 2.68 H new ATOM 0 HH12 ARG A 144 -21.367 -7.499 -0.728 1.00 2.68 H new ATOM 0 HH21 ARG A 144 -20.941 -5.861 -3.817 1.00 2.83 H new ATOM 0 HH22 ARG A 144 -22.098 -6.405 -2.598 1.00 2.83 H new ATOM 2285 N GLN A 145 -15.575 -8.142 1.155 1.00 0.47 N ATOM 2286 CA GLN A 145 -16.396 -8.481 2.309 1.00 0.52 C ATOM 2287 C GLN A 145 -16.085 -7.523 3.448 1.00 0.48 C ATOM 2288 O GLN A 145 -16.958 -7.173 4.242 1.00 0.56 O ATOM 2289 CB GLN A 145 -16.141 -9.934 2.734 1.00 0.57 C ATOM 2290 CG GLN A 145 -16.869 -10.352 4.006 1.00 0.64 C ATOM 2291 CD GLN A 145 -16.134 -9.964 5.282 1.00 0.60 C ATOM 2292 OE1 GLN A 145 -16.657 -10.130 6.383 1.00 0.67 O ATOM 2293 NE2 GLN A 145 -14.910 -9.461 5.147 1.00 0.52 N ATOM 0 H GLN A 145 -14.861 -8.835 0.930 1.00 0.47 H new ATOM 0 HA GLN A 145 -17.450 -8.387 2.046 1.00 0.52 H new ATOM 0 HB2 GLN A 145 -16.443 -10.596 1.922 1.00 0.57 H new ATOM 0 HB3 GLN A 145 -15.070 -10.075 2.879 1.00 0.57 H new ATOM 0 HG2 GLN A 145 -17.860 -9.897 4.014 1.00 0.64 H new ATOM 0 HG3 GLN A 145 -17.014 -11.432 3.994 1.00 0.64 H new ATOM 0 HE21 GLN A 145 -14.509 -9.338 4.217 1.00 0.52 H new ATOM 0 HE22 GLN A 145 -14.372 -9.199 5.973 1.00 0.52 H new ATOM 2302 N ILE A 146 -14.829 -7.087 3.508 1.00 0.40 N ATOM 2303 CA ILE A 146 -14.396 -6.149 4.531 1.00 0.40 C ATOM 2304 C ILE A 146 -15.042 -4.796 4.285 1.00 0.43 C ATOM 2305 O ILE A 146 -15.394 -4.080 5.221 1.00 0.53 O ATOM 2306 CB ILE A 146 -12.862 -5.992 4.544 1.00 0.42 C ATOM 2307 CG1 ILE A 146 -12.193 -7.354 4.753 1.00 0.43 C ATOM 2308 CG2 ILE A 146 -12.441 -5.010 5.631 1.00 0.50 C ATOM 2309 CD1 ILE A 146 -10.679 -7.304 4.706 1.00 0.78 C ATOM 0 H ILE A 146 -14.096 -7.371 2.858 1.00 0.40 H new ATOM 0 HA ILE A 146 -14.703 -6.542 5.500 1.00 0.40 H new ATOM 0 HB ILE A 146 -12.540 -5.595 3.581 1.00 0.42 H new ATOM 0 HG12 ILE A 146 -12.504 -7.758 5.716 1.00 0.43 H new ATOM 0 HG13 ILE A 146 -12.549 -8.044 3.988 1.00 0.43 H new ATOM 0 HG21 ILE A 146 -11.356 -4.909 5.629 1.00 0.50 H new ATOM 0 HG22 ILE A 146 -12.897 -4.038 5.440 1.00 0.50 H new ATOM 0 HG23 ILE A 146 -12.769 -5.380 6.602 1.00 0.50 H new ATOM 0 HD11 ILE A 146 -10.277 -8.305 4.862 1.00 0.78 H new ATOM 0 HD12 ILE A 146 -10.357 -6.931 3.734 1.00 0.78 H new ATOM 0 HD13 ILE A 146 -10.312 -6.640 5.489 1.00 0.78 H new ATOM 2321 N LEU A 147 -15.215 -4.463 3.008 1.00 0.42 N ATOM 2322 CA LEU A 147 -15.843 -3.209 2.620 1.00 0.50 C ATOM 2323 C LEU A 147 -17.348 -3.281 2.837 1.00 0.59 C ATOM 2324 O LEU A 147 -18.043 -2.269 2.778 1.00 0.72 O ATOM 2325 CB LEU A 147 -15.537 -2.883 1.158 1.00 0.55 C ATOM 2326 CG LEU A 147 -14.116 -2.387 0.889 1.00 0.61 C ATOM 2327 CD1 LEU A 147 -13.891 -2.203 -0.603 1.00 0.76 C ATOM 2328 CD2 LEU A 147 -13.862 -1.082 1.628 1.00 0.62 C ATOM 0 H LEU A 147 -14.927 -5.049 2.224 1.00 0.42 H new ATOM 0 HA LEU A 147 -15.435 -2.414 3.245 1.00 0.50 H new ATOM 0 HB2 LEU A 147 -15.713 -3.776 0.558 1.00 0.55 H new ATOM 0 HB3 LEU A 147 -16.241 -2.125 0.816 1.00 0.55 H new ATOM 0 HG LEU A 147 -13.413 -3.136 1.255 1.00 0.61 H new ATOM 0 HD11 LEU A 147 -12.875 -1.850 -0.777 1.00 0.76 H new ATOM 0 HD12 LEU A 147 -14.036 -3.155 -1.113 1.00 0.76 H new ATOM 0 HD13 LEU A 147 -14.601 -1.472 -0.991 1.00 0.76 H new ATOM 0 HD21 LEU A 147 -12.846 -0.742 1.427 1.00 0.62 H new ATOM 0 HD22 LEU A 147 -14.572 -0.328 1.288 1.00 0.62 H new ATOM 0 HD23 LEU A 147 -13.986 -1.240 2.699 1.00 0.62 H new ATOM 2340 N HIS A 148 -17.842 -4.486 3.104 1.00 0.59 N ATOM 2341 CA HIS A 148 -19.261 -4.684 3.348 1.00 0.73 C ATOM 2342 C HIS A 148 -19.593 -4.247 4.771 1.00 0.79 C ATOM 2343 O HIS A 148 -20.700 -3.786 5.053 1.00 0.90 O ATOM 2344 CB HIS A 148 -19.645 -6.150 3.133 1.00 0.77 C ATOM 2345 CG HIS A 148 -21.117 -6.407 3.234 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -21.847 -6.156 4.375 1.00 1.36 N ATOM 2347 CD2 HIS A 148 -21.998 -6.889 2.325 1.00 1.58 C ATOM 2348 CE1 HIS A 148 -23.112 -6.474 4.167 1.00 1.28 C ATOM 2349 NE2 HIS A 148 -23.230 -6.920 2.930 1.00 1.34 N ATOM 0 H HIS A 148 -17.280 -5.336 3.156 1.00 0.59 H new ATOM 0 HA HIS A 148 -19.834 -4.081 2.644 1.00 0.73 H new ATOM 0 HB2 HIS A 148 -19.296 -6.468 2.150 1.00 0.77 H new ATOM 0 HB3 HIS A 148 -19.126 -6.764 3.869 1.00 0.77 H new ATOM 0 HD1 HIS A 148 -21.469 -5.782 5.246 1.00 1.36 H new ATOM 0 HD2 HIS A 148 -21.773 -7.192 1.313 1.00 1.58 H new ATOM 0 HE1 HIS A 148 -23.913 -6.384 4.886 1.00 1.28 H new ATOM 2358 N THR A 149 -18.607 -4.375 5.656 1.00 0.77 N ATOM 2359 CA THR A 149 -18.760 -3.976 7.049 1.00 0.88 C ATOM 2360 C THR A 149 -18.208 -2.571 7.248 1.00 0.86 C ATOM 2361 O THR A 149 -18.680 -1.815 8.099 1.00 0.94 O ATOM 2362 CB THR A 149 -18.034 -4.959 7.970 1.00 0.90 C ATOM 2363 OG1 THR A 149 -18.553 -6.267 7.812 1.00 1.10 O ATOM 2364 CG2 THR A 149 -18.139 -4.598 9.437 1.00 1.18 C ATOM 0 H THR A 149 -17.688 -4.755 5.429 1.00 0.77 H new ATOM 0 HA THR A 149 -19.821 -3.983 7.301 1.00 0.88 H new ATOM 0 HB THR A 149 -16.986 -4.910 7.676 1.00 0.90 H new ATOM 0 HG1 THR A 149 -18.076 -6.882 8.407 1.00 1.10 H new ATOM 0 HG21 THR A 149 -17.602 -5.336 10.033 1.00 1.18 H new ATOM 0 HG22 THR A 149 -17.703 -3.613 9.601 1.00 1.18 H new ATOM 0 HG23 THR A 149 -19.188 -4.585 9.734 1.00 1.18 H new ATOM 2372 N ARG A 150 -17.210 -2.230 6.442 1.00 0.86 N ATOM 2373 CA ARG A 150 -16.584 -0.916 6.500 1.00 0.93 C ATOM 2374 C ARG A 150 -17.379 0.095 5.682 1.00 0.95 C ATOM 2375 O ARG A 150 -17.841 1.109 6.208 1.00 1.05 O ATOM 2376 CB ARG A 150 -15.147 -0.984 5.967 1.00 0.99 C ATOM 2377 CG ARG A 150 -14.087 -1.324 7.011 1.00 0.96 C ATOM 2378 CD ARG A 150 -14.363 -2.642 7.718 1.00 1.26 C ATOM 2379 NE ARG A 150 -15.326 -2.492 8.802 1.00 2.01 N ATOM 2380 CZ ARG A 150 -15.095 -1.774 9.899 1.00 2.55 C ATOM 2381 NH1 ARG A 150 -13.935 -1.152 10.059 1.00 2.55 N ATOM 2382 NH2 ARG A 150 -16.024 -1.683 10.838 1.00 3.55 N ATOM 0 H ARG A 150 -16.815 -2.851 5.736 1.00 0.86 H new ATOM 0 HA ARG A 150 -16.567 -0.597 7.542 1.00 0.93 H new ATOM 0 HB2 ARG A 150 -15.105 -1.729 5.173 1.00 0.99 H new ATOM 0 HB3 ARG A 150 -14.897 -0.023 5.517 1.00 0.99 H new ATOM 0 HG2 ARG A 150 -13.110 -1.372 6.529 1.00 0.96 H new ATOM 0 HG3 ARG A 150 -14.039 -0.523 7.749 1.00 0.96 H new ATOM 0 HD2 ARG A 150 -14.740 -3.368 6.997 1.00 1.26 H new ATOM 0 HD3 ARG A 150 -13.430 -3.042 8.115 1.00 1.26 H new ATOM 0 HE ARG A 150 -16.226 -2.963 8.715 1.00 2.01 H new ATOM 0 HH11 ARG A 150 -13.215 -1.222 9.340 1.00 2.55 H new ATOM 0 HH12 ARG A 150 -13.763 -0.603 10.901 1.00 2.55 H new ATOM 0 HH21 ARG A 150 -16.916 -2.163 10.721 1.00 3.55 H new ATOM 0 HH22 ARG A 150 -15.847 -1.133 11.679 1.00 3.55 H new ATOM 2396 N ALA A 151 -17.520 -0.185 4.386 1.00 0.94 N ATOM 2397 CA ALA A 151 -18.242 0.702 3.476 1.00 1.04 C ATOM 2398 C ALA A 151 -17.512 2.030 3.364 1.00 1.11 C ATOM 2399 O ALA A 151 -18.049 3.086 3.700 1.00 1.59 O ATOM 2400 CB ALA A 151 -19.674 0.908 3.945 1.00 1.61 C ATOM 0 H ALA A 151 -17.142 -1.022 3.943 1.00 0.94 H new ATOM 0 HA ALA A 151 -18.280 0.239 2.490 1.00 1.04 H new ATOM 0 HB1 ALA A 151 -20.192 1.571 3.252 1.00 1.61 H new ATOM 0 HB2 ALA A 151 -20.187 -0.053 3.979 1.00 1.61 H new ATOM 0 HB3 ALA A 151 -19.671 1.353 4.940 1.00 1.61 H new ATOM 2406 N PHE A 152 -16.265 1.960 2.917 1.00 1.09 N ATOM 2407 CA PHE A 152 -15.431 3.145 2.788 1.00 1.61 C ATOM 2408 C PHE A 152 -15.308 3.595 1.344 1.00 1.38 C ATOM 2409 O PHE A 152 -14.357 3.242 0.646 1.00 1.90 O ATOM 2410 CB PHE A 152 -14.047 2.866 3.372 1.00 2.51 C ATOM 2411 CG PHE A 152 -14.050 2.613 4.857 1.00 3.40 C ATOM 2412 CD1 PHE A 152 -15.236 2.558 5.579 1.00 3.42 C ATOM 2413 CD2 PHE A 152 -12.861 2.440 5.536 1.00 4.44 C ATOM 2414 CE1 PHE A 152 -15.228 2.331 6.939 1.00 4.40 C ATOM 2415 CE2 PHE A 152 -12.846 2.214 6.896 1.00 5.41 C ATOM 2416 CZ PHE A 152 -14.032 2.158 7.598 1.00 5.37 C ATOM 0 H PHE A 152 -15.809 1.092 2.637 1.00 1.09 H new ATOM 0 HA PHE A 152 -15.908 3.953 3.342 1.00 1.61 H new ATOM 0 HB2 PHE A 152 -13.618 2.000 2.867 1.00 2.51 H new ATOM 0 HB3 PHE A 152 -13.396 3.714 3.159 1.00 2.51 H new ATOM 0 HD1 PHE A 152 -16.177 2.695 5.068 1.00 3.42 H new ATOM 0 HD2 PHE A 152 -11.928 2.482 4.994 1.00 4.44 H new ATOM 0 HE1 PHE A 152 -16.158 2.289 7.486 1.00 4.40 H new ATOM 0 HE2 PHE A 152 -11.906 2.081 7.411 1.00 5.41 H new ATOM 0 HZ PHE A 152 -14.022 1.979 8.663 1.00 5.37 H new ATOM 2426 N ASP A 153 -16.271 4.392 0.910 1.00 1.04 N ATOM 2427 CA ASP A 153 -16.274 4.913 -0.444 1.00 1.18 C ATOM 2428 C ASP A 153 -15.655 6.302 -0.467 1.00 1.01 C ATOM 2429 O ASP A 153 -15.677 6.984 -1.491 1.00 1.40 O ATOM 2430 CB ASP A 153 -17.701 4.970 -0.988 1.00 1.46 C ATOM 2431 CG ASP A 153 -18.373 3.615 -0.978 1.00 2.05 C ATOM 2432 OD1 ASP A 153 -18.489 3.017 0.112 1.00 2.54 O ATOM 2433 OD2 ASP A 153 -18.788 3.151 -2.059 1.00 2.52 O ATOM 0 H ASP A 153 -17.062 4.692 1.479 1.00 1.04 H new ATOM 0 HA ASP A 153 -15.685 4.248 -1.076 1.00 1.18 H new ATOM 0 HB2 ASP A 153 -18.287 5.668 -0.391 1.00 1.46 H new ATOM 0 HB3 ASP A 153 -17.684 5.357 -2.007 1.00 1.46 H new ATOM 2438 N LYS A 154 -15.107 6.720 0.672 1.00 0.68 N ATOM 2439 CA LYS A 154 -14.490 8.033 0.775 1.00 0.59 C ATOM 2440 C LYS A 154 -13.196 8.099 -0.040 1.00 0.52 C ATOM 2441 O LYS A 154 -13.159 7.634 -1.180 1.00 0.67 O ATOM 2442 CB LYS A 154 -14.259 8.410 2.246 1.00 0.63 C ATOM 2443 CG LYS A 154 -13.482 7.381 3.050 1.00 0.79 C ATOM 2444 CD LYS A 154 -13.288 7.838 4.488 1.00 0.93 C ATOM 2445 CE LYS A 154 -12.406 6.876 5.269 1.00 0.94 C ATOM 2446 NZ LYS A 154 -13.011 5.520 5.367 1.00 1.77 N ATOM 0 H LYS A 154 -15.079 6.169 1.530 1.00 0.68 H new ATOM 0 HA LYS A 154 -15.174 8.768 0.351 1.00 0.59 H new ATOM 0 HB2 LYS A 154 -13.725 9.360 2.284 1.00 0.63 H new ATOM 0 HB3 LYS A 154 -15.226 8.569 2.723 1.00 0.63 H new ATOM 0 HG2 LYS A 154 -14.013 6.429 3.037 1.00 0.79 H new ATOM 0 HG3 LYS A 154 -12.511 7.211 2.586 1.00 0.79 H new ATOM 0 HD2 LYS A 154 -12.840 8.832 4.497 1.00 0.93 H new ATOM 0 HD3 LYS A 154 -14.258 7.921 4.978 1.00 0.93 H new ATOM 0 HE2 LYS A 154 -11.431 6.804 4.786 1.00 0.94 H new ATOM 0 HE3 LYS A 154 -12.237 7.271 6.271 1.00 0.94 H new ATOM 0 HZ1 LYS A 154 -13.015 5.213 6.361 1.00 1.77 H new ATOM 0 HZ2 LYS A 154 -13.987 5.549 5.009 1.00 1.77 H new ATOM 0 HZ3 LYS A 154 -12.454 4.850 4.800 1.00 1.77 H new ATOM 2460 N LEU A 155 -12.149 8.699 0.523 1.00 0.55 N ATOM 2461 CA LEU A 155 -10.881 8.841 -0.188 1.00 0.57 C ATOM 2462 C LEU A 155 -11.101 9.590 -1.500 1.00 0.51 C ATOM 2463 O LEU A 155 -10.682 9.125 -2.560 1.00 0.61 O ATOM 2464 CB LEU A 155 -10.237 7.477 -0.498 1.00 0.67 C ATOM 2465 CG LEU A 155 -9.875 6.594 0.702 1.00 0.81 C ATOM 2466 CD1 LEU A 155 -9.159 7.392 1.777 1.00 1.81 C ATOM 2467 CD2 LEU A 155 -11.108 5.913 1.266 1.00 1.95 C ATOM 0 H LEU A 155 -12.153 9.092 1.464 1.00 0.55 H new ATOM 0 HA LEU A 155 -10.208 9.399 0.463 1.00 0.57 H new ATOM 0 HB2 LEU A 155 -10.919 6.917 -1.138 1.00 0.67 H new ATOM 0 HB3 LEU A 155 -9.330 7.653 -1.076 1.00 0.67 H new ATOM 0 HG LEU A 155 -9.192 5.821 0.350 1.00 0.81 H new ATOM 0 HD11 LEU A 155 -8.916 6.738 2.614 1.00 1.81 H new ATOM 0 HD12 LEU A 155 -8.241 7.813 1.367 1.00 1.81 H new ATOM 0 HD13 LEU A 155 -9.805 8.199 2.123 1.00 1.81 H new ATOM 0 HD21 LEU A 155 -10.824 5.293 2.116 1.00 1.95 H new ATOM 0 HD22 LEU A 155 -11.824 6.668 1.591 1.00 1.95 H new ATOM 0 HD23 LEU A 155 -11.563 5.289 0.497 1.00 1.95 H new ATOM 2479 N ASN A 156 -11.770 10.742 -1.431 1.00 0.54 N ATOM 2480 CA ASN A 156 -12.046 11.532 -2.630 1.00 0.54 C ATOM 2481 C ASN A 156 -10.771 11.739 -3.440 1.00 0.53 C ATOM 2482 O ASN A 156 -9.758 12.192 -2.911 1.00 0.75 O ATOM 2483 CB ASN A 156 -12.665 12.885 -2.263 1.00 0.63 C ATOM 2484 CG ASN A 156 -11.726 13.760 -1.460 1.00 1.07 C ATOM 2485 OD1 ASN A 156 -11.274 13.378 -0.383 1.00 2.09 O ATOM 2486 ND2 ASN A 156 -11.431 14.947 -1.980 1.00 1.34 N ATOM 0 H ASN A 156 -12.128 11.145 -0.565 1.00 0.54 H new ATOM 0 HA ASN A 156 -12.762 10.980 -3.239 1.00 0.54 H new ATOM 0 HB2 ASN A 156 -12.951 13.408 -3.175 1.00 0.63 H new ATOM 0 HB3 ASN A 156 -13.578 12.719 -1.691 1.00 0.63 H new ATOM 0 HD21 ASN A 156 -10.807 15.581 -1.482 1.00 1.34 H new ATOM 0 HD22 ASN A 156 -11.829 15.224 -2.877 1.00 1.34 H new ATOM 2493 N LYS A 157 -10.829 11.382 -4.723 1.00 0.46 N ATOM 2494 CA LYS A 157 -9.675 11.506 -5.611 1.00 0.46 C ATOM 2495 C LYS A 157 -9.026 12.883 -5.518 1.00 0.48 C ATOM 2496 O LYS A 157 -9.652 13.854 -5.092 1.00 0.64 O ATOM 2497 CB LYS A 157 -10.076 11.214 -7.058 1.00 0.54 C ATOM 2498 CG LYS A 157 -10.513 9.775 -7.284 1.00 0.60 C ATOM 2499 CD LYS A 157 -10.742 9.477 -8.758 1.00 1.33 C ATOM 2500 CE LYS A 157 -11.892 10.292 -9.325 1.00 1.77 C ATOM 2501 NZ LYS A 157 -13.176 9.988 -8.635 1.00 2.30 N ATOM 0 H LYS A 157 -11.664 11.004 -5.170 1.00 0.46 H new ATOM 0 HA LYS A 157 -8.940 10.770 -5.285 1.00 0.46 H new ATOM 0 HB2 LYS A 157 -10.888 11.882 -7.344 1.00 0.54 H new ATOM 0 HB3 LYS A 157 -9.234 11.438 -7.713 1.00 0.54 H new ATOM 0 HG2 LYS A 157 -9.754 9.099 -6.891 1.00 0.60 H new ATOM 0 HG3 LYS A 157 -11.430 9.582 -6.728 1.00 0.60 H new ATOM 0 HD2 LYS A 157 -9.832 9.693 -9.318 1.00 1.33 H new ATOM 0 HD3 LYS A 157 -10.951 8.415 -8.886 1.00 1.33 H new ATOM 0 HE2 LYS A 157 -11.669 11.354 -9.226 1.00 1.77 H new ATOM 0 HE3 LYS A 157 -11.994 10.085 -10.390 1.00 1.77 H new ATOM 0 HZ1 LYS A 157 -13.968 10.372 -9.190 1.00 2.30 H new ATOM 0 HZ2 LYS A 157 -13.285 8.958 -8.543 1.00 2.30 H new ATOM 0 HZ3 LYS A 157 -13.173 10.422 -7.690 1.00 2.30 H new ATOM 2515 N TRP A 158 -7.757 12.941 -5.920 1.00 0.45 N ATOM 2516 CA TRP A 158 -6.976 14.175 -5.898 1.00 0.54 C ATOM 2517 C TRP A 158 -7.799 15.364 -6.387 1.00 0.75 C ATOM 2518 O TRP A 158 -7.877 16.371 -5.655 1.00 1.21 O ATOM 2519 CB TRP A 158 -5.734 14.014 -6.775 1.00 0.62 C ATOM 2520 CG TRP A 158 -4.816 15.196 -6.742 1.00 0.71 C ATOM 2521 CD1 TRP A 158 -4.558 16.060 -7.766 1.00 0.98 C ATOM 2522 CD2 TRP A 158 -4.018 15.635 -5.637 1.00 0.72 C ATOM 2523 NE1 TRP A 158 -3.660 17.018 -7.362 1.00 1.04 N ATOM 2524 CE2 TRP A 158 -3.312 16.777 -6.060 1.00 0.89 C ATOM 2525 CE3 TRP A 158 -3.838 15.177 -4.329 1.00 0.81 C ATOM 2526 CZ2 TRP A 158 -2.438 17.465 -5.223 1.00 1.01 C ATOM 2527 CZ3 TRP A 158 -2.969 15.861 -3.500 1.00 1.03 C ATOM 2528 CH2 TRP A 158 -2.279 16.994 -3.949 1.00 1.07 C ATOM 2529 OXT TRP A 158 -8.357 15.278 -7.500 1.00 1.47 O ATOM 0 H TRP A 158 -7.242 12.133 -6.270 1.00 0.45 H new ATOM 0 HA TRP A 158 -6.679 14.369 -4.867 1.00 0.54 H new ATOM 0 HB2 TRP A 158 -5.185 13.130 -6.452 1.00 0.62 H new ATOM 0 HB3 TRP A 158 -6.047 13.837 -7.804 1.00 0.62 H new ATOM 0 HD1 TRP A 158 -4.996 16.000 -8.751 1.00 0.98 H new ATOM 0 HE1 TRP A 158 -3.310 17.784 -7.938 1.00 1.04 H new ATOM 0 HE3 TRP A 158 -4.368 14.306 -3.973 1.00 0.81 H new ATOM 0 HZ2 TRP A 158 -1.905 18.339 -5.567 1.00 1.01 H new ATOM 0 HZ3 TRP A 158 -2.819 15.516 -2.488 1.00 1.03 H new ATOM 0 HH2 TRP A 158 -1.608 17.506 -3.276 1.00 1.07 H new TER 2540 TRP A 158