USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1045 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 88 SER OG : rot 15:sc= 0.506 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -142:sc= -1.14 (180deg=-2.24!) USER MOD Set 1.3: A 95 HIS :FLIP no HD1:sc= -0.143 F(o=-2.1!,f=-1.4) USER MOD Set 1.4: A 99 SER OG : rot -145:sc= -0.612 USER MOD Set 2.1: A 20 LYS NZ :NH3+ 172:sc= -2.71! (180deg=-2.81!) USER MOD Set 2.2: A 43 THR OG1 : rot -90:sc= -3.21! USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0264 (180deg=-0.0264) USER MOD Single : A 7 GLN : amide:sc= -0.44 X(o=-0.44,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -1.88! C(o=-1.9!,f=-3.9!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -60:sc= 1.15 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -130:sc= -0.458 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.497 USER MOD Single : A 80 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.14) USER MOD Single : A 85 TYR OH : rot -15:sc= 0.304 USER MOD Single : A 92 ASN :FLIP amide:sc=-0.00764 F(o=-0.9,f=-0.0076) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -71:sc= -3.05! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -58:sc= 0.784 USER MOD Single : A 119 SER OG : rot -37:sc= 1.24 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -168:sc= -0.0669 (180deg=-0.199) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 SER OG : rot 6:sc= -0.435 USER MOD Single : B 12 SER OG : rot -8:sc= 1.05 USER MOD Single : B 16 THR OG1 : rot 180:sc= -0.0164 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 116.271 11.150 39.908 1.00 6.50 N ATOM 2 CA GLY A 1 117.120 12.014 40.844 1.00 6.23 C ATOM 3 C GLY A 1 118.231 11.392 41.619 1.00 6.29 C ATOM 4 O GLY A 1 119.213 12.033 41.932 1.00 6.64 O ATOM 0 H1 GLY A 1 115.547 11.741 39.451 1.00 6.50 H new ATOM 0 H2 GLY A 1 116.880 10.724 39.181 1.00 6.50 H new ATOM 0 H3 GLY A 1 115.808 10.397 40.456 1.00 6.50 H new ATOM 0 HA2 GLY A 1 117.550 12.817 40.245 1.00 6.23 H new ATOM 0 HA3 GLY A 1 116.443 12.479 41.561 1.00 6.23 H new ATOM 10 N ILE A 2 118.117 10.126 41.921 1.00 6.02 N ATOM 11 CA ILE A 2 119.180 9.422 42.668 1.00 6.16 C ATOM 12 C ILE A 2 118.969 7.917 42.483 1.00 5.79 C ATOM 13 O ILE A 2 119.009 7.177 43.446 1.00 5.94 O ATOM 14 CB ILE A 2 119.085 9.754 44.166 1.00 6.64 C ATOM 15 CG1 ILE A 2 117.630 9.610 44.627 1.00 7.00 C ATOM 16 CG2 ILE A 2 119.569 11.186 44.437 1.00 7.08 C ATOM 17 CD1 ILE A 2 117.572 9.657 46.155 1.00 7.04 C ATOM 0 H ILE A 2 117.315 9.547 41.674 1.00 6.02 H new ATOM 0 HA ILE A 2 120.157 9.731 42.298 1.00 6.16 H new ATOM 0 HB ILE A 2 119.721 9.062 44.719 1.00 6.64 H new ATOM 0 HG12 ILE A 2 117.023 10.410 44.205 1.00 7.00 H new ATOM 0 HG13 ILE A 2 117.214 8.670 44.265 1.00 7.00 H new ATOM 0 HG21 ILE A 2 119.493 11.400 45.503 1.00 7.08 H new ATOM 0 HG22 ILE A 2 120.607 11.285 44.120 1.00 7.08 H new ATOM 0 HG23 ILE A 2 118.951 11.890 43.881 1.00 7.08 H new ATOM 0 HD11 ILE A 2 116.538 9.555 46.483 1.00 7.04 H new ATOM 0 HD12 ILE A 2 118.166 8.841 46.567 1.00 7.04 H new ATOM 0 HD13 ILE A 2 117.971 10.609 46.505 1.00 7.04 H new ATOM 29 N PRO A 3 118.747 7.492 41.255 1.00 5.36 N ATOM 30 CA PRO A 3 118.533 6.070 40.976 1.00 5.06 C ATOM 31 C PRO A 3 119.719 5.283 41.487 1.00 5.29 C ATOM 32 O PRO A 3 119.650 4.637 42.511 1.00 5.50 O ATOM 33 CB PRO A 3 118.416 5.977 39.432 1.00 4.64 C ATOM 34 CG PRO A 3 118.738 7.386 38.865 1.00 4.75 C ATOM 35 CD PRO A 3 118.712 8.364 40.054 1.00 5.21 C ATOM 0 HA PRO A 3 117.645 5.665 41.461 1.00 5.06 H new ATOM 0 HB2 PRO A 3 119.110 5.235 39.037 1.00 4.64 H new ATOM 0 HB3 PRO A 3 117.414 5.664 39.140 1.00 4.64 H new ATOM 0 HG2 PRO A 3 119.714 7.393 38.380 1.00 4.75 H new ATOM 0 HG3 PRO A 3 118.006 7.675 38.111 1.00 4.75 H new ATOM 0 HD2 PRO A 3 119.566 9.041 40.030 1.00 5.21 H new ATOM 0 HD3 PRO A 3 117.815 8.983 40.039 1.00 5.21 H new ATOM 43 N GLU A 4 120.778 5.260 40.736 1.00 5.31 N ATOM 44 CA GLU A 4 121.946 4.418 41.136 1.00 5.63 C ATOM 45 C GLU A 4 121.494 2.987 40.846 1.00 5.43 C ATOM 46 O GLU A 4 122.268 2.064 40.684 1.00 5.60 O ATOM 47 CB GLU A 4 122.271 4.607 42.634 1.00 6.12 C ATOM 48 CG GLU A 4 123.772 4.405 42.872 1.00 6.48 C ATOM 49 CD GLU A 4 124.199 3.043 42.321 1.00 6.49 C ATOM 50 OE1 GLU A 4 123.600 2.054 42.710 1.00 6.52 O ATOM 51 OE2 GLU A 4 125.118 3.012 41.519 1.00 6.75 O ATOM 0 H GLU A 4 120.891 5.782 39.867 1.00 5.31 H new ATOM 0 HA GLU A 4 122.857 4.681 40.598 1.00 5.63 H new ATOM 0 HB2 GLU A 4 121.974 5.605 42.956 1.00 6.12 H new ATOM 0 HB3 GLU A 4 121.700 3.896 43.231 1.00 6.12 H new ATOM 0 HG2 GLU A 4 124.338 5.199 42.385 1.00 6.48 H new ATOM 0 HG3 GLU A 4 123.993 4.463 43.938 1.00 6.48 H new ATOM 58 N PHE A 5 120.202 2.865 40.722 1.00 5.16 N ATOM 59 CA PHE A 5 119.528 1.614 40.376 1.00 5.00 C ATOM 60 C PHE A 5 119.460 1.645 38.855 1.00 4.64 C ATOM 61 O PHE A 5 118.652 0.997 38.220 1.00 4.55 O ATOM 62 CB PHE A 5 118.111 1.684 40.987 1.00 4.89 C ATOM 63 CG PHE A 5 118.080 0.956 42.316 1.00 5.24 C ATOM 64 CD1 PHE A 5 118.577 1.577 43.468 1.00 5.36 C ATOM 65 CD2 PHE A 5 117.554 -0.340 42.392 1.00 5.59 C ATOM 66 CE1 PHE A 5 118.548 0.903 44.695 1.00 5.76 C ATOM 67 CE2 PHE A 5 117.525 -1.013 43.619 1.00 6.01 C ATOM 68 CZ PHE A 5 118.022 -0.392 44.770 1.00 6.07 C ATOM 0 H PHE A 5 119.559 3.645 40.859 1.00 5.16 H new ATOM 0 HA PHE A 5 120.020 0.710 40.736 1.00 5.00 H new ATOM 0 HB2 PHE A 5 117.818 2.724 41.127 1.00 4.89 H new ATOM 0 HB3 PHE A 5 117.389 1.238 40.303 1.00 4.89 H new ATOM 0 HD1 PHE A 5 118.983 2.576 43.410 1.00 5.36 H new ATOM 0 HD2 PHE A 5 117.171 -0.820 41.504 1.00 5.59 H new ATOM 0 HE1 PHE A 5 118.931 1.382 45.584 1.00 5.76 H new ATOM 0 HE2 PHE A 5 117.119 -2.012 43.677 1.00 6.01 H new ATOM 0 HZ PHE A 5 118.000 -0.912 45.716 1.00 6.07 H new ATOM 78 N PHE A 6 120.308 2.466 38.294 1.00 4.56 N ATOM 79 CA PHE A 6 120.357 2.674 36.830 1.00 4.25 C ATOM 80 C PHE A 6 118.945 2.900 36.298 1.00 3.91 C ATOM 81 O PHE A 6 118.117 3.464 36.975 1.00 3.94 O ATOM 82 CB PHE A 6 121.050 1.503 36.112 1.00 4.31 C ATOM 83 CG PHE A 6 120.410 0.180 36.471 1.00 4.35 C ATOM 84 CD1 PHE A 6 120.830 -0.516 37.613 1.00 4.57 C ATOM 85 CD2 PHE A 6 119.407 -0.359 35.656 1.00 4.48 C ATOM 86 CE1 PHE A 6 120.246 -1.745 37.940 1.00 4.72 C ATOM 87 CE2 PHE A 6 118.824 -1.590 35.983 1.00 4.63 C ATOM 88 CZ PHE A 6 119.243 -2.282 37.126 1.00 4.65 C ATOM 0 H PHE A 6 120.990 3.017 38.816 1.00 4.56 H new ATOM 0 HA PHE A 6 120.956 3.562 36.625 1.00 4.25 H new ATOM 0 HB2 PHE A 6 120.998 1.653 35.034 1.00 4.31 H new ATOM 0 HB3 PHE A 6 122.106 1.483 36.381 1.00 4.31 H new ATOM 0 HD1 PHE A 6 121.605 -0.103 38.241 1.00 4.57 H new ATOM 0 HD2 PHE A 6 119.083 0.175 34.775 1.00 4.48 H new ATOM 0 HE1 PHE A 6 120.570 -2.279 38.821 1.00 4.72 H new ATOM 0 HE2 PHE A 6 118.051 -2.006 35.353 1.00 4.63 H new ATOM 0 HZ PHE A 6 118.792 -3.230 37.379 1.00 4.65 H new ATOM 98 N GLN A 7 118.704 2.525 35.072 1.00 3.67 N ATOM 99 CA GLN A 7 117.378 2.759 34.412 1.00 3.44 C ATOM 100 C GLN A 7 117.416 4.199 33.941 1.00 3.39 C ATOM 101 O GLN A 7 116.569 4.670 33.209 1.00 3.31 O ATOM 102 CB GLN A 7 116.169 2.543 35.348 1.00 3.53 C ATOM 103 CG GLN A 7 116.257 1.176 36.046 1.00 3.71 C ATOM 104 CD GLN A 7 115.734 0.078 35.114 1.00 4.00 C ATOM 105 OE1 GLN A 7 114.604 -0.351 35.237 1.00 4.40 O ATOM 106 NE2 GLN A 7 116.513 -0.397 34.182 1.00 4.34 N ATOM 0 H GLN A 7 119.387 2.053 34.480 1.00 3.67 H new ATOM 0 HA GLN A 7 117.239 2.040 33.604 1.00 3.44 H new ATOM 0 HB2 GLN A 7 116.135 3.336 36.095 1.00 3.53 H new ATOM 0 HB3 GLN A 7 115.244 2.605 34.775 1.00 3.53 H new ATOM 0 HG2 GLN A 7 117.290 0.967 36.325 1.00 3.71 H new ATOM 0 HG3 GLN A 7 115.675 1.191 36.967 1.00 3.71 H new ATOM 0 HE21 GLN A 7 117.462 -0.037 34.078 1.00 4.34 H new ATOM 0 HE22 GLN A 7 116.173 -1.128 33.557 1.00 4.34 H new ATOM 115 N PHE A 8 118.446 4.884 34.355 1.00 3.56 N ATOM 116 CA PHE A 8 118.645 6.299 33.952 1.00 3.66 C ATOM 117 C PHE A 8 120.138 6.580 33.959 1.00 3.86 C ATOM 118 O PHE A 8 120.665 7.259 33.099 1.00 3.90 O ATOM 119 CB PHE A 8 117.922 7.236 34.922 1.00 3.88 C ATOM 120 CG PHE A 8 117.958 8.647 34.385 1.00 4.09 C ATOM 121 CD1 PHE A 8 119.047 9.478 34.674 1.00 4.61 C ATOM 122 CD2 PHE A 8 116.902 9.124 33.600 1.00 4.13 C ATOM 123 CE1 PHE A 8 119.080 10.787 34.177 1.00 5.15 C ATOM 124 CE2 PHE A 8 116.935 10.433 33.104 1.00 4.64 C ATOM 125 CZ PHE A 8 118.024 11.264 33.392 1.00 5.15 C ATOM 0 H PHE A 8 119.171 4.512 34.968 1.00 3.56 H new ATOM 0 HA PHE A 8 118.234 6.469 32.957 1.00 3.66 H new ATOM 0 HB2 PHE A 8 116.889 6.913 35.054 1.00 3.88 H new ATOM 0 HB3 PHE A 8 118.396 7.197 35.903 1.00 3.88 H new ATOM 0 HD1 PHE A 8 119.862 9.110 35.280 1.00 4.61 H new ATOM 0 HD2 PHE A 8 116.062 8.483 33.377 1.00 4.13 H new ATOM 0 HE1 PHE A 8 119.920 11.428 34.399 1.00 5.15 H new ATOM 0 HE2 PHE A 8 116.120 10.802 32.499 1.00 4.64 H new ATOM 0 HZ PHE A 8 118.049 12.273 33.008 1.00 5.15 H new ATOM 135 N THR A 9 120.828 6.013 34.900 1.00 4.05 N ATOM 136 CA THR A 9 122.302 6.178 34.957 1.00 4.35 C ATOM 137 C THR A 9 122.881 5.015 34.169 1.00 4.27 C ATOM 138 O THR A 9 124.078 4.831 34.069 1.00 4.54 O ATOM 139 CB THR A 9 122.775 6.110 36.412 1.00 4.71 C ATOM 140 OG1 THR A 9 121.954 6.948 37.213 1.00 4.79 O ATOM 141 CG2 THR A 9 124.230 6.576 36.505 1.00 5.13 C ATOM 0 H THR A 9 120.431 5.436 35.641 1.00 4.05 H new ATOM 0 HA THR A 9 122.618 7.138 34.547 1.00 4.35 H new ATOM 0 HB THR A 9 122.705 5.082 36.768 1.00 4.71 H new ATOM 0 HG1 THR A 9 122.254 6.905 38.145 1.00 4.79 H new ATOM 0 HG21 THR A 9 124.562 6.526 37.542 1.00 5.13 H new ATOM 0 HG22 THR A 9 124.859 5.931 35.891 1.00 5.13 H new ATOM 0 HG23 THR A 9 124.307 7.603 36.149 1.00 5.13 H new ATOM 149 N VAL A 10 122.000 4.224 33.613 1.00 3.98 N ATOM 150 CA VAL A 10 122.414 3.040 32.815 1.00 3.98 C ATOM 151 C VAL A 10 123.610 3.411 31.931 1.00 4.13 C ATOM 152 O VAL A 10 124.516 2.627 31.729 1.00 4.38 O ATOM 153 CB VAL A 10 121.225 2.585 31.958 1.00 3.67 C ATOM 154 CG1 VAL A 10 120.808 3.704 31.002 1.00 3.45 C ATOM 155 CG2 VAL A 10 121.599 1.329 31.163 1.00 3.81 C ATOM 0 H VAL A 10 120.991 4.355 33.682 1.00 3.98 H new ATOM 0 HA VAL A 10 122.714 2.224 33.473 1.00 3.98 H new ATOM 0 HB VAL A 10 120.387 2.351 32.615 1.00 3.67 H new ATOM 0 HG11 VAL A 10 119.964 3.371 30.398 1.00 3.45 H new ATOM 0 HG12 VAL A 10 120.519 4.584 31.576 1.00 3.45 H new ATOM 0 HG13 VAL A 10 121.644 3.955 30.349 1.00 3.45 H new ATOM 0 HG21 VAL A 10 120.748 1.014 30.558 1.00 3.81 H new ATOM 0 HG22 VAL A 10 122.445 1.549 30.512 1.00 3.81 H new ATOM 0 HG23 VAL A 10 121.870 0.529 31.852 1.00 3.81 H new ATOM 165 N GLY A 11 123.618 4.614 31.418 1.00 4.03 N ATOM 166 CA GLY A 11 124.758 5.077 30.552 1.00 4.22 C ATOM 167 C GLY A 11 124.197 5.774 29.301 1.00 3.95 C ATOM 168 O GLY A 11 124.111 6.986 29.274 1.00 4.02 O ATOM 0 H GLY A 11 122.881 5.305 31.560 1.00 4.03 H new ATOM 0 HA2 GLY A 11 125.397 5.763 31.108 1.00 4.22 H new ATOM 0 HA3 GLY A 11 125.377 4.228 30.262 1.00 4.22 H new ATOM 172 N PRO A 12 123.802 5.002 28.307 1.00 3.78 N ATOM 173 CA PRO A 12 123.214 5.558 27.066 1.00 3.70 C ATOM 174 C PRO A 12 121.867 6.201 27.411 1.00 3.49 C ATOM 175 O PRO A 12 120.889 6.038 26.709 1.00 3.54 O ATOM 176 CB PRO A 12 123.019 4.328 26.157 1.00 3.74 C ATOM 177 CG PRO A 12 123.107 3.095 27.084 1.00 3.77 C ATOM 178 CD PRO A 12 123.903 3.530 28.322 1.00 3.85 C ATOM 0 HA PRO A 12 123.830 6.320 26.587 1.00 3.70 H new ATOM 0 HB2 PRO A 12 122.055 4.367 25.650 1.00 3.74 H new ATOM 0 HB3 PRO A 12 123.785 4.290 25.383 1.00 3.74 H new ATOM 0 HG2 PRO A 12 122.112 2.750 27.365 1.00 3.77 H new ATOM 0 HG3 PRO A 12 123.601 2.265 26.578 1.00 3.77 H new ATOM 0 HD2 PRO A 12 123.483 3.110 29.236 1.00 3.85 H new ATOM 0 HD3 PRO A 12 124.940 3.200 28.267 1.00 3.85 H new ATOM 186 N LEU A 13 121.829 6.908 28.512 1.00 3.44 N ATOM 187 CA LEU A 13 120.577 7.579 29.000 1.00 3.29 C ATOM 188 C LEU A 13 119.342 6.782 28.571 1.00 3.00 C ATOM 189 O LEU A 13 118.834 6.943 27.481 1.00 2.85 O ATOM 190 CB LEU A 13 120.483 9.046 28.508 1.00 3.36 C ATOM 191 CG LEU A 13 121.004 9.201 27.061 1.00 3.37 C ATOM 192 CD1 LEU A 13 120.311 10.393 26.385 1.00 3.46 C ATOM 193 CD2 LEU A 13 122.527 9.441 27.065 1.00 3.67 C ATOM 0 H LEU A 13 122.639 7.054 29.114 1.00 3.44 H new ATOM 0 HA LEU A 13 120.617 7.604 30.089 1.00 3.29 H new ATOM 0 HB2 LEU A 13 119.447 9.381 28.559 1.00 3.36 H new ATOM 0 HB3 LEU A 13 121.059 9.690 29.173 1.00 3.36 H new ATOM 0 HG LEU A 13 120.784 8.285 26.512 1.00 3.37 H new ATOM 0 HD11 LEU A 13 120.681 10.499 25.365 1.00 3.46 H new ATOM 0 HD12 LEU A 13 119.234 10.224 26.365 1.00 3.46 H new ATOM 0 HD13 LEU A 13 120.525 11.304 26.945 1.00 3.46 H new ATOM 0 HD21 LEU A 13 122.881 9.548 26.040 1.00 3.67 H new ATOM 0 HD22 LEU A 13 122.751 10.350 27.623 1.00 3.67 H new ATOM 0 HD23 LEU A 13 123.028 8.594 27.535 1.00 3.67 H new ATOM 205 N GLY A 14 118.878 5.914 29.438 1.00 2.97 N ATOM 206 CA GLY A 14 117.680 5.063 29.143 1.00 2.73 C ATOM 207 C GLY A 14 116.675 5.848 28.318 1.00 2.55 C ATOM 208 O GLY A 14 115.942 5.299 27.521 1.00 2.44 O ATOM 0 H GLY A 14 119.288 5.756 30.358 1.00 2.97 H new ATOM 0 HA2 GLY A 14 117.985 4.166 28.603 1.00 2.73 H new ATOM 0 HA3 GLY A 14 117.220 4.733 30.074 1.00 2.73 H new ATOM 212 N GLU A 15 116.638 7.133 28.508 1.00 2.58 N ATOM 213 CA GLU A 15 115.682 7.955 27.737 1.00 2.51 C ATOM 214 C GLU A 15 114.275 7.427 28.001 1.00 2.29 C ATOM 215 O GLU A 15 113.308 7.848 27.399 1.00 2.29 O ATOM 216 CB GLU A 15 116.047 7.852 26.259 1.00 2.63 C ATOM 217 CG GLU A 15 115.455 9.036 25.489 1.00 2.71 C ATOM 218 CD GLU A 15 115.804 8.906 24.005 1.00 2.55 C ATOM 219 OE1 GLU A 15 116.328 7.871 23.629 1.00 2.97 O ATOM 220 OE2 GLU A 15 115.541 9.844 23.271 1.00 2.74 O ATOM 0 H GLU A 15 117.228 7.646 29.163 1.00 2.58 H new ATOM 0 HA GLU A 15 115.721 9.003 28.033 1.00 2.51 H new ATOM 0 HB2 GLU A 15 117.131 7.838 26.144 1.00 2.63 H new ATOM 0 HB3 GLU A 15 115.671 6.915 25.848 1.00 2.63 H new ATOM 0 HG2 GLU A 15 114.373 9.063 25.618 1.00 2.71 H new ATOM 0 HG3 GLU A 15 115.847 9.973 25.885 1.00 2.71 H new ATOM 227 N GLY A 16 114.165 6.518 28.934 1.00 2.21 N ATOM 228 CA GLY A 16 112.840 5.952 29.305 1.00 2.06 C ATOM 229 C GLY A 16 112.565 4.648 28.553 1.00 1.98 C ATOM 230 O GLY A 16 113.449 3.847 28.320 1.00 2.44 O ATOM 0 H GLY A 16 114.952 6.140 29.461 1.00 2.21 H new ATOM 0 HA2 GLY A 16 112.808 5.769 30.379 1.00 2.06 H new ATOM 0 HA3 GLY A 16 112.057 6.676 29.081 1.00 2.06 H new ATOM 234 N GLY A 17 111.326 4.423 28.207 1.00 1.81 N ATOM 235 CA GLY A 17 110.942 3.166 27.505 1.00 1.74 C ATOM 236 C GLY A 17 111.949 2.806 26.407 1.00 1.78 C ATOM 237 O GLY A 17 112.050 1.659 26.020 1.00 1.80 O ATOM 0 H GLY A 17 110.554 5.066 28.384 1.00 1.81 H new ATOM 0 HA2 GLY A 17 110.880 2.350 28.225 1.00 1.74 H new ATOM 0 HA3 GLY A 17 109.950 3.281 27.067 1.00 1.74 H new ATOM 241 N ALA A 18 112.682 3.762 25.888 1.00 1.84 N ATOM 242 CA ALA A 18 113.671 3.446 24.809 1.00 1.96 C ATOM 243 C ALA A 18 114.431 2.160 25.153 1.00 2.07 C ATOM 244 O ALA A 18 115.036 1.537 24.303 1.00 2.21 O ATOM 245 CB ALA A 18 114.661 4.610 24.665 1.00 2.09 C ATOM 0 H ALA A 18 112.639 4.743 26.163 1.00 1.84 H new ATOM 0 HA ALA A 18 113.140 3.302 23.868 1.00 1.96 H new ATOM 0 HB1 ALA A 18 115.381 4.380 23.880 1.00 2.09 H new ATOM 0 HB2 ALA A 18 114.119 5.519 24.405 1.00 2.09 H new ATOM 0 HB3 ALA A 18 115.188 4.759 25.608 1.00 2.09 H new ATOM 251 N HIS A 19 114.400 1.759 26.396 1.00 2.06 N ATOM 252 CA HIS A 19 115.112 0.517 26.808 1.00 2.21 C ATOM 253 C HIS A 19 114.135 -0.668 26.799 1.00 2.15 C ATOM 254 O HIS A 19 114.402 -1.695 26.206 1.00 2.33 O ATOM 255 CB HIS A 19 115.677 0.715 28.219 1.00 2.33 C ATOM 256 CG HIS A 19 116.179 -0.597 28.767 1.00 2.51 C ATOM 257 ND1 HIS A 19 115.322 -1.635 29.100 1.00 2.79 N ATOM 258 CD2 HIS A 19 117.444 -1.053 29.045 1.00 2.86 C ATOM 259 CE1 HIS A 19 116.075 -2.653 29.555 1.00 2.87 C ATOM 260 NE2 HIS A 19 117.376 -2.351 29.542 1.00 2.87 N ATOM 0 H HIS A 19 113.908 2.243 27.148 1.00 2.06 H new ATOM 0 HA HIS A 19 115.925 0.308 26.112 1.00 2.21 H new ATOM 0 HB2 HIS A 19 116.489 1.442 28.195 1.00 2.33 H new ATOM 0 HB3 HIS A 19 114.906 1.120 28.874 1.00 2.33 H new ATOM 0 HD2 HIS A 19 118.354 -0.490 28.900 1.00 2.86 H new ATOM 0 HE1 HIS A 19 115.676 -3.599 29.890 1.00 2.87 H new ATOM 0 HE2 HIS A 19 118.153 -2.944 29.834 1.00 2.87 H new ATOM 268 N LYS A 20 113.011 -0.542 27.455 1.00 2.02 N ATOM 269 CA LYS A 20 112.038 -1.673 27.479 1.00 2.01 C ATOM 270 C LYS A 20 111.465 -1.885 26.077 1.00 1.90 C ATOM 271 O LYS A 20 110.873 -2.907 25.789 1.00 1.96 O ATOM 272 CB LYS A 20 110.905 -1.372 28.475 1.00 1.99 C ATOM 273 CG LYS A 20 109.995 -0.231 27.949 1.00 1.81 C ATOM 274 CD LYS A 20 108.704 -0.803 27.336 1.00 1.74 C ATOM 275 CE LYS A 20 107.987 0.269 26.481 1.00 1.58 C ATOM 276 NZ LYS A 20 106.551 0.326 26.873 1.00 1.94 N ATOM 0 H LYS A 20 112.726 0.290 27.972 1.00 2.02 H new ATOM 0 HA LYS A 20 112.550 -2.581 27.797 1.00 2.01 H new ATOM 0 HB2 LYS A 20 110.310 -2.271 28.638 1.00 1.99 H new ATOM 0 HB3 LYS A 20 111.328 -1.090 29.439 1.00 1.99 H new ATOM 0 HG2 LYS A 20 109.746 0.448 28.765 1.00 1.81 H new ATOM 0 HG3 LYS A 20 110.531 0.353 27.201 1.00 1.81 H new ATOM 0 HD2 LYS A 20 108.941 -1.670 26.719 1.00 1.74 H new ATOM 0 HD3 LYS A 20 108.040 -1.148 28.129 1.00 1.74 H new ATOM 0 HE2 LYS A 20 108.456 1.242 26.628 1.00 1.58 H new ATOM 0 HE3 LYS A 20 108.078 0.028 25.422 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 106.094 1.133 26.402 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 106.078 -0.555 26.587 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 106.477 0.440 27.904 1.00 1.94 H new ATOM 290 N VAL A 21 111.645 -0.937 25.197 1.00 1.80 N ATOM 291 CA VAL A 21 111.119 -1.104 23.814 1.00 1.71 C ATOM 292 C VAL A 21 112.042 -2.046 23.047 1.00 1.76 C ATOM 293 O VAL A 21 113.188 -1.736 22.792 1.00 1.81 O ATOM 294 CB VAL A 21 111.061 0.255 23.109 1.00 1.64 C ATOM 295 CG1 VAL A 21 110.669 0.053 21.641 1.00 2.07 C ATOM 296 CG2 VAL A 21 110.021 1.148 23.799 1.00 1.75 C ATOM 0 H VAL A 21 112.131 -0.058 25.376 1.00 1.80 H new ATOM 0 HA VAL A 21 110.113 -1.521 23.851 1.00 1.71 H new ATOM 0 HB VAL A 21 112.039 0.732 23.161 1.00 1.64 H new ATOM 0 HG11 VAL A 21 110.628 1.020 21.139 1.00 2.07 H new ATOM 0 HG12 VAL A 21 111.409 -0.579 21.150 1.00 2.07 H new ATOM 0 HG13 VAL A 21 109.691 -0.425 21.588 1.00 2.07 H new ATOM 0 HG21 VAL A 21 109.981 2.114 23.297 1.00 1.75 H new ATOM 0 HG22 VAL A 21 109.042 0.672 23.749 1.00 1.75 H new ATOM 0 HG23 VAL A 21 110.301 1.293 24.842 1.00 1.75 H new ATOM 306 N ARG A 22 111.549 -3.207 22.696 1.00 1.78 N ATOM 307 CA ARG A 22 112.384 -4.205 21.961 1.00 1.85 C ATOM 308 C ARG A 22 111.889 -4.349 20.522 1.00 1.74 C ATOM 309 O ARG A 22 110.705 -4.433 20.262 1.00 1.66 O ATOM 310 CB ARG A 22 112.279 -5.549 22.685 1.00 1.96 C ATOM 311 CG ARG A 22 113.024 -6.644 21.905 1.00 2.03 C ATOM 312 CD ARG A 22 114.481 -6.231 21.663 1.00 2.18 C ATOM 313 NE ARG A 22 115.309 -7.448 21.432 1.00 2.75 N ATOM 314 CZ ARG A 22 116.503 -7.337 20.915 1.00 3.10 C ATOM 315 NH1 ARG A 22 116.973 -6.160 20.605 1.00 3.50 N ATOM 316 NH2 ARG A 22 117.228 -8.403 20.709 1.00 3.33 N ATOM 0 H ARG A 22 110.594 -3.509 22.889 1.00 1.78 H new ATOM 0 HA ARG A 22 113.422 -3.873 21.935 1.00 1.85 H new ATOM 0 HB2 ARG A 22 112.697 -5.461 23.688 1.00 1.96 H new ATOM 0 HB3 ARG A 22 111.231 -5.826 22.799 1.00 1.96 H new ATOM 0 HG2 ARG A 22 112.993 -7.581 22.461 1.00 2.03 H new ATOM 0 HG3 ARG A 22 112.527 -6.822 20.952 1.00 2.03 H new ATOM 0 HD2 ARG A 22 114.544 -5.566 20.801 1.00 2.18 H new ATOM 0 HD3 ARG A 22 114.861 -5.677 22.521 1.00 2.18 H new ATOM 0 HE ARG A 22 114.943 -8.368 21.678 1.00 2.75 H new ATOM 0 HH11 ARG A 22 116.408 -5.326 20.766 1.00 3.50 H new ATOM 0 HH12 ARG A 22 117.906 -6.073 20.201 1.00 3.50 H new ATOM 0 HH21 ARG A 22 116.862 -9.324 20.952 1.00 3.33 H new ATOM 0 HH22 ARG A 22 118.161 -8.315 20.305 1.00 3.33 H new ATOM 330 N ALA A 23 112.801 -4.387 19.587 1.00 1.77 N ATOM 331 CA ALA A 23 112.424 -4.535 18.152 1.00 1.68 C ATOM 332 C ALA A 23 113.420 -5.480 17.480 1.00 1.77 C ATOM 333 O ALA A 23 114.588 -5.172 17.350 1.00 1.83 O ATOM 334 CB ALA A 23 112.486 -3.167 17.467 1.00 1.59 C ATOM 0 H ALA A 23 113.804 -4.321 19.760 1.00 1.77 H new ATOM 0 HA ALA A 23 111.413 -4.935 18.071 1.00 1.68 H new ATOM 0 HB1 ALA A 23 112.211 -3.273 16.418 1.00 1.59 H new ATOM 0 HB2 ALA A 23 111.793 -2.483 17.957 1.00 1.59 H new ATOM 0 HB3 ALA A 23 113.499 -2.770 17.538 1.00 1.59 H new ATOM 340 N GLY A 24 112.975 -6.633 17.058 1.00 1.80 N ATOM 341 CA GLY A 24 113.906 -7.601 16.400 1.00 1.90 C ATOM 342 C GLY A 24 113.156 -8.383 15.323 1.00 1.86 C ATOM 343 O GLY A 24 112.124 -8.973 15.575 1.00 1.86 O ATOM 0 H GLY A 24 112.008 -6.948 17.139 1.00 1.80 H new ATOM 0 HA2 GLY A 24 114.747 -7.068 15.957 1.00 1.90 H new ATOM 0 HA3 GLY A 24 114.317 -8.286 17.141 1.00 1.90 H new ATOM 347 N GLY A 25 113.665 -8.391 14.123 1.00 1.85 N ATOM 348 CA GLY A 25 112.979 -9.135 13.032 1.00 1.84 C ATOM 349 C GLY A 25 113.792 -9.025 11.741 1.00 1.84 C ATOM 350 O GLY A 25 114.814 -8.369 11.692 1.00 1.84 O ATOM 0 H GLY A 25 114.525 -7.915 13.851 1.00 1.85 H new ATOM 0 HA2 GLY A 25 112.862 -10.182 13.311 1.00 1.84 H new ATOM 0 HA3 GLY A 25 111.978 -8.732 12.878 1.00 1.84 H new ATOM 354 N THR A 26 113.345 -9.661 10.693 1.00 1.86 N ATOM 355 CA THR A 26 114.089 -9.593 9.405 1.00 1.87 C ATOM 356 C THR A 26 113.770 -8.272 8.701 1.00 1.75 C ATOM 357 O THR A 26 114.548 -7.775 7.907 1.00 1.76 O ATOM 358 CB THR A 26 113.671 -10.760 8.510 1.00 1.96 C ATOM 359 OG1 THR A 26 112.258 -10.756 8.361 1.00 2.31 O ATOM 360 CG2 THR A 26 114.115 -12.079 9.143 1.00 2.29 C ATOM 0 H THR A 26 112.496 -10.225 10.674 1.00 1.86 H new ATOM 0 HA THR A 26 115.159 -9.652 9.602 1.00 1.87 H new ATOM 0 HB THR A 26 114.142 -10.654 7.533 1.00 1.96 H new ATOM 0 HG1 THR A 26 111.988 -11.502 7.786 1.00 2.31 H new ATOM 0 HG21 THR A 26 113.816 -12.909 8.503 1.00 2.29 H new ATOM 0 HG22 THR A 26 115.199 -12.081 9.257 1.00 2.29 H new ATOM 0 HG23 THR A 26 113.647 -12.189 10.121 1.00 2.29 H new ATOM 368 N GLY A 27 112.637 -7.691 8.993 1.00 1.64 N ATOM 369 CA GLY A 27 112.282 -6.399 8.346 1.00 1.54 C ATOM 370 C GLY A 27 113.223 -5.324 8.872 1.00 1.50 C ATOM 371 O GLY A 27 113.325 -4.242 8.328 1.00 1.46 O ATOM 0 H GLY A 27 111.946 -8.055 9.649 1.00 1.64 H new ATOM 0 HA2 GLY A 27 112.368 -6.481 7.263 1.00 1.54 H new ATOM 0 HA3 GLY A 27 111.247 -6.137 8.565 1.00 1.54 H new ATOM 375 N LEU A 28 113.918 -5.627 9.933 1.00 1.57 N ATOM 376 CA LEU A 28 114.872 -4.648 10.525 1.00 1.59 C ATOM 377 C LEU A 28 116.287 -5.011 10.077 1.00 1.69 C ATOM 378 O LEU A 28 117.242 -4.861 10.813 1.00 1.83 O ATOM 379 CB LEU A 28 114.786 -4.724 12.051 1.00 1.65 C ATOM 380 CG LEU A 28 113.340 -4.497 12.512 1.00 1.58 C ATOM 381 CD1 LEU A 28 113.212 -4.898 13.983 1.00 1.66 C ATOM 382 CD2 LEU A 28 112.958 -3.018 12.358 1.00 1.61 C ATOM 0 H LEU A 28 113.865 -6.521 10.420 1.00 1.57 H new ATOM 0 HA LEU A 28 114.627 -3.638 10.197 1.00 1.59 H new ATOM 0 HB2 LEU A 28 115.136 -5.697 12.394 1.00 1.65 H new ATOM 0 HB3 LEU A 28 115.440 -3.974 12.497 1.00 1.65 H new ATOM 0 HG LEU A 28 112.673 -5.102 11.899 1.00 1.58 H new ATOM 0 HD11 LEU A 28 112.186 -4.739 14.316 1.00 1.66 H new ATOM 0 HD12 LEU A 28 113.471 -5.951 14.097 1.00 1.66 H new ATOM 0 HD13 LEU A 28 113.887 -4.291 14.586 1.00 1.66 H new ATOM 0 HD21 LEU A 28 111.930 -2.871 12.689 1.00 1.61 H new ATOM 0 HD22 LEU A 28 113.625 -2.405 12.964 1.00 1.61 H new ATOM 0 HD23 LEU A 28 113.048 -2.726 11.312 1.00 1.61 H new ATOM 394 N GLU A 29 116.427 -5.495 8.869 1.00 1.73 N ATOM 395 CA GLU A 29 117.777 -5.879 8.360 1.00 1.84 C ATOM 396 C GLU A 29 117.871 -5.557 6.866 1.00 1.75 C ATOM 397 O GLU A 29 118.845 -4.995 6.405 1.00 1.78 O ATOM 398 CB GLU A 29 117.992 -7.379 8.573 1.00 2.00 C ATOM 399 CG GLU A 29 117.666 -7.743 10.023 1.00 2.06 C ATOM 400 CD GLU A 29 118.155 -9.163 10.316 1.00 1.98 C ATOM 401 OE1 GLU A 29 118.273 -9.933 9.377 1.00 2.34 O ATOM 402 OE2 GLU A 29 118.404 -9.456 11.474 1.00 2.21 O ATOM 0 H GLU A 29 115.661 -5.641 8.211 1.00 1.73 H new ATOM 0 HA GLU A 29 118.542 -5.321 8.900 1.00 1.84 H new ATOM 0 HB2 GLU A 29 117.358 -7.948 7.893 1.00 2.00 H new ATOM 0 HB3 GLU A 29 119.024 -7.645 8.344 1.00 2.00 H new ATOM 0 HG2 GLU A 29 118.142 -7.036 10.702 1.00 2.06 H new ATOM 0 HG3 GLU A 29 116.592 -7.675 10.193 1.00 2.06 H new ATOM 409 N ARG A 30 116.872 -5.909 6.100 1.00 1.69 N ATOM 410 CA ARG A 30 116.925 -5.616 4.636 1.00 1.64 C ATOM 411 C ARG A 30 115.579 -5.944 3.985 1.00 1.59 C ATOM 412 O ARG A 30 114.702 -6.516 4.602 1.00 1.61 O ATOM 413 CB ARG A 30 118.016 -6.473 3.990 1.00 1.75 C ATOM 414 CG ARG A 30 117.775 -7.945 4.333 1.00 2.21 C ATOM 415 CD ARG A 30 118.867 -8.806 3.695 1.00 2.47 C ATOM 416 NE ARG A 30 118.492 -10.244 3.806 1.00 2.96 N ATOM 417 CZ ARG A 30 119.113 -11.138 3.084 1.00 3.36 C ATOM 418 NH1 ARG A 30 120.063 -10.772 2.268 1.00 3.77 N ATOM 419 NH2 ARG A 30 118.784 -12.397 3.179 1.00 3.76 N ATOM 0 H ARG A 30 116.028 -6.383 6.421 1.00 1.69 H new ATOM 0 HA ARG A 30 117.145 -4.558 4.492 1.00 1.64 H new ATOM 0 HB2 ARG A 30 118.010 -6.334 2.909 1.00 1.75 H new ATOM 0 HB3 ARG A 30 118.998 -6.161 4.346 1.00 1.75 H new ATOM 0 HG2 ARG A 30 117.775 -8.082 5.414 1.00 2.21 H new ATOM 0 HG3 ARG A 30 116.795 -8.257 3.973 1.00 2.21 H new ATOM 0 HD2 ARG A 30 118.996 -8.532 2.648 1.00 2.47 H new ATOM 0 HD3 ARG A 30 119.821 -8.628 4.191 1.00 2.47 H new ATOM 0 HE ARG A 30 117.751 -10.530 4.446 1.00 2.96 H new ATOM 0 HH11 ARG A 30 120.321 -9.788 2.194 1.00 3.77 H new ATOM 0 HH12 ARG A 30 120.548 -11.470 1.704 1.00 3.77 H new ATOM 0 HH21 ARG A 30 118.042 -12.683 3.817 1.00 3.76 H new ATOM 0 HH22 ARG A 30 119.269 -13.095 2.615 1.00 3.76 H new ATOM 433 N GLY A 31 115.412 -5.590 2.734 1.00 1.54 N ATOM 434 CA GLY A 31 114.130 -5.883 2.028 1.00 1.52 C ATOM 435 C GLY A 31 114.433 -6.134 0.552 1.00 1.55 C ATOM 436 O GLY A 31 115.558 -5.988 0.116 1.00 1.57 O ATOM 0 H GLY A 31 116.113 -5.109 2.171 1.00 1.54 H new ATOM 0 HA2 GLY A 31 113.646 -6.755 2.468 1.00 1.52 H new ATOM 0 HA3 GLY A 31 113.439 -5.047 2.136 1.00 1.52 H new ATOM 440 N VAL A 32 113.448 -6.521 -0.226 1.00 1.56 N ATOM 441 CA VAL A 32 113.694 -6.789 -1.682 1.00 1.60 C ATOM 442 C VAL A 32 112.592 -6.147 -2.544 1.00 1.53 C ATOM 443 O VAL A 32 111.474 -5.952 -2.111 1.00 1.50 O ATOM 444 CB VAL A 32 113.744 -8.310 -1.896 1.00 1.75 C ATOM 445 CG1 VAL A 32 113.637 -8.655 -3.388 1.00 1.80 C ATOM 446 CG2 VAL A 32 115.068 -8.857 -1.351 1.00 1.83 C ATOM 0 H VAL A 32 112.486 -6.663 0.083 1.00 1.56 H new ATOM 0 HA VAL A 32 114.643 -6.347 -1.986 1.00 1.60 H new ATOM 0 HB VAL A 32 112.903 -8.761 -1.369 1.00 1.75 H new ATOM 0 HG11 VAL A 32 113.675 -9.737 -3.515 1.00 1.80 H new ATOM 0 HG12 VAL A 32 112.694 -8.276 -3.782 1.00 1.80 H new ATOM 0 HG13 VAL A 32 114.466 -8.197 -3.928 1.00 1.80 H new ATOM 0 HG21 VAL A 32 115.106 -9.936 -1.502 1.00 1.83 H new ATOM 0 HG22 VAL A 32 115.900 -8.388 -1.877 1.00 1.83 H new ATOM 0 HG23 VAL A 32 115.142 -8.637 -0.286 1.00 1.83 H new ATOM 456 N ALA A 33 112.927 -5.810 -3.765 1.00 1.51 N ATOM 457 CA ALA A 33 111.948 -5.162 -4.697 1.00 1.46 C ATOM 458 C ALA A 33 110.543 -5.787 -4.597 1.00 1.53 C ATOM 459 O ALA A 33 110.313 -6.906 -5.012 1.00 1.64 O ATOM 460 CB ALA A 33 112.471 -5.310 -6.147 1.00 1.51 C ATOM 0 H ALA A 33 113.854 -5.959 -4.163 1.00 1.51 H new ATOM 0 HA ALA A 33 111.859 -4.113 -4.416 1.00 1.46 H new ATOM 0 HB1 ALA A 33 111.768 -4.843 -6.837 1.00 1.51 H new ATOM 0 HB2 ALA A 33 113.443 -4.824 -6.235 1.00 1.51 H new ATOM 0 HB3 ALA A 33 112.571 -6.367 -6.392 1.00 1.51 H new ATOM 466 N GLY A 34 109.600 -5.036 -4.100 1.00 1.46 N ATOM 467 CA GLY A 34 108.193 -5.519 -4.019 1.00 1.52 C ATOM 468 C GLY A 34 108.106 -6.855 -3.296 1.00 1.62 C ATOM 469 O GLY A 34 107.508 -7.792 -3.788 1.00 1.73 O ATOM 0 H GLY A 34 109.747 -4.093 -3.741 1.00 1.46 H new ATOM 0 HA2 GLY A 34 107.583 -4.781 -3.498 1.00 1.52 H new ATOM 0 HA3 GLY A 34 107.783 -5.620 -5.024 1.00 1.52 H new ATOM 473 N VAL A 35 108.677 -6.950 -2.124 1.00 1.59 N ATOM 474 CA VAL A 35 108.611 -8.224 -1.345 1.00 1.69 C ATOM 475 C VAL A 35 108.079 -7.905 0.070 1.00 1.61 C ATOM 476 O VAL A 35 108.841 -7.465 0.907 1.00 1.55 O ATOM 477 CB VAL A 35 110.020 -8.835 -1.257 1.00 1.77 C ATOM 478 CG1 VAL A 35 110.070 -9.901 -0.153 1.00 2.04 C ATOM 479 CG2 VAL A 35 110.361 -9.489 -2.602 1.00 2.19 C ATOM 0 H VAL A 35 109.190 -6.195 -1.669 1.00 1.59 H new ATOM 0 HA VAL A 35 107.947 -8.938 -1.832 1.00 1.69 H new ATOM 0 HB VAL A 35 110.738 -8.049 -1.023 1.00 1.77 H new ATOM 0 HG11 VAL A 35 111.073 -10.325 -0.102 1.00 2.04 H new ATOM 0 HG12 VAL A 35 109.820 -9.445 0.805 1.00 2.04 H new ATOM 0 HG13 VAL A 35 109.353 -10.691 -0.377 1.00 2.04 H new ATOM 0 HG21 VAL A 35 111.358 -9.926 -2.552 1.00 2.19 H new ATOM 0 HG22 VAL A 35 109.633 -10.270 -2.822 1.00 2.19 H new ATOM 0 HG23 VAL A 35 110.334 -8.736 -3.390 1.00 2.19 H new ATOM 489 N PRO A 36 106.792 -8.110 0.316 1.00 1.67 N ATOM 490 CA PRO A 36 106.223 -7.809 1.641 1.00 1.61 C ATOM 491 C PRO A 36 106.962 -8.608 2.718 1.00 1.61 C ATOM 492 O PRO A 36 107.279 -9.767 2.541 1.00 1.74 O ATOM 493 CB PRO A 36 104.732 -8.210 1.541 1.00 1.76 C ATOM 494 CG PRO A 36 104.454 -8.578 0.055 1.00 1.96 C ATOM 495 CD PRO A 36 105.818 -8.642 -0.666 1.00 1.85 C ATOM 0 HA PRO A 36 106.324 -6.760 1.919 1.00 1.61 H new ATOM 0 HB2 PRO A 36 104.516 -9.056 2.194 1.00 1.76 H new ATOM 0 HB3 PRO A 36 104.090 -7.389 1.861 1.00 1.76 H new ATOM 0 HG2 PRO A 36 103.938 -9.536 -0.013 1.00 1.96 H new ATOM 0 HG3 PRO A 36 103.808 -7.834 -0.411 1.00 1.96 H new ATOM 0 HD2 PRO A 36 106.065 -9.664 -0.954 1.00 1.85 H new ATOM 0 HD3 PRO A 36 105.811 -8.046 -1.579 1.00 1.85 H new ATOM 503 N ALA A 37 107.239 -7.989 3.835 1.00 1.53 N ATOM 504 CA ALA A 37 107.961 -8.701 4.931 1.00 1.62 C ATOM 505 C ALA A 37 107.458 -8.168 6.267 1.00 1.53 C ATOM 506 O ALA A 37 106.462 -7.474 6.327 1.00 1.52 O ATOM 507 CB ALA A 37 109.464 -8.443 4.809 1.00 1.69 C ATOM 0 H ALA A 37 106.996 -7.019 4.036 1.00 1.53 H new ATOM 0 HA ALA A 37 107.779 -9.774 4.863 1.00 1.62 H new ATOM 0 HB1 ALA A 37 109.989 -8.964 5.610 1.00 1.69 H new ATOM 0 HB2 ALA A 37 109.819 -8.808 3.845 1.00 1.69 H new ATOM 0 HB3 ALA A 37 109.657 -7.373 4.885 1.00 1.69 H new ATOM 513 N GLU A 38 108.124 -8.477 7.344 1.00 1.50 N ATOM 514 CA GLU A 38 107.643 -7.966 8.652 1.00 1.45 C ATOM 515 C GLU A 38 108.676 -8.202 9.744 1.00 1.50 C ATOM 516 O GLU A 38 109.650 -8.908 9.571 1.00 1.60 O ATOM 517 CB GLU A 38 106.335 -8.680 9.031 1.00 1.54 C ATOM 518 CG GLU A 38 106.629 -10.117 9.484 1.00 1.68 C ATOM 519 CD GLU A 38 105.330 -10.925 9.505 1.00 1.83 C ATOM 520 OE1 GLU A 38 104.536 -10.710 10.406 1.00 2.12 O ATOM 521 OE2 GLU A 38 105.152 -11.745 8.620 1.00 2.23 O ATOM 0 H GLU A 38 108.966 -9.052 7.374 1.00 1.50 H new ATOM 0 HA GLU A 38 107.473 -6.893 8.560 1.00 1.45 H new ATOM 0 HB2 GLU A 38 105.832 -8.135 9.830 1.00 1.54 H new ATOM 0 HB3 GLU A 38 105.657 -8.691 8.177 1.00 1.54 H new ATOM 0 HG2 GLU A 38 107.347 -10.582 8.809 1.00 1.68 H new ATOM 0 HG3 GLU A 38 107.081 -10.111 10.476 1.00 1.68 H new ATOM 528 N PHE A 39 108.434 -7.626 10.887 1.00 1.46 N ATOM 529 CA PHE A 39 109.347 -7.812 12.040 1.00 1.54 C ATOM 530 C PHE A 39 108.489 -7.900 13.293 1.00 1.53 C ATOM 531 O PHE A 39 107.275 -7.871 13.219 1.00 1.50 O ATOM 532 CB PHE A 39 110.344 -6.650 12.151 1.00 1.54 C ATOM 533 CG PHE A 39 109.658 -5.323 11.906 1.00 1.31 C ATOM 534 CD1 PHE A 39 109.203 -4.998 10.626 1.00 1.36 C ATOM 535 CD2 PHE A 39 109.495 -4.410 12.956 1.00 1.34 C ATOM 536 CE1 PHE A 39 108.582 -3.765 10.393 1.00 1.32 C ATOM 537 CE2 PHE A 39 108.877 -3.176 12.724 1.00 1.37 C ATOM 538 CZ PHE A 39 108.419 -2.854 11.442 1.00 1.30 C ATOM 0 H PHE A 39 107.630 -7.026 11.071 1.00 1.46 H new ATOM 0 HA PHE A 39 109.932 -8.722 11.909 1.00 1.54 H new ATOM 0 HB2 PHE A 39 110.800 -6.651 13.141 1.00 1.54 H new ATOM 0 HB3 PHE A 39 111.149 -6.786 11.429 1.00 1.54 H new ATOM 0 HD1 PHE A 39 109.330 -5.699 9.815 1.00 1.36 H new ATOM 0 HD2 PHE A 39 109.847 -4.659 13.946 1.00 1.34 H new ATOM 0 HE1 PHE A 39 108.229 -3.517 9.403 1.00 1.32 H new ATOM 0 HE2 PHE A 39 108.754 -2.473 13.534 1.00 1.37 H new ATOM 0 HZ PHE A 39 107.940 -1.903 11.262 1.00 1.30 H new ATOM 548 N SER A 40 109.101 -8.031 14.436 1.00 1.60 N ATOM 549 CA SER A 40 108.313 -8.157 15.707 1.00 1.61 C ATOM 550 C SER A 40 108.723 -7.091 16.719 1.00 1.59 C ATOM 551 O SER A 40 109.885 -6.788 16.903 1.00 1.64 O ATOM 552 CB SER A 40 108.549 -9.541 16.312 1.00 1.73 C ATOM 553 OG SER A 40 109.926 -9.684 16.634 1.00 2.37 O ATOM 0 H SER A 40 110.114 -8.057 14.552 1.00 1.60 H new ATOM 0 HA SER A 40 107.258 -8.020 15.471 1.00 1.61 H new ATOM 0 HB2 SER A 40 107.939 -9.668 17.207 1.00 1.73 H new ATOM 0 HB3 SER A 40 108.246 -10.315 15.607 1.00 1.73 H new ATOM 0 HG SER A 40 110.464 -9.584 15.821 1.00 2.37 H new ATOM 559 N ILE A 41 107.745 -6.533 17.376 1.00 1.54 N ATOM 560 CA ILE A 41 107.981 -5.477 18.399 1.00 1.54 C ATOM 561 C ILE A 41 107.209 -5.855 19.664 1.00 1.60 C ATOM 562 O ILE A 41 106.018 -6.090 19.605 1.00 1.65 O ATOM 563 CB ILE A 41 107.418 -4.160 17.865 1.00 1.45 C ATOM 564 CG1 ILE A 41 107.997 -3.876 16.467 1.00 1.47 C ATOM 565 CG2 ILE A 41 107.738 -3.014 18.830 1.00 1.50 C ATOM 566 CD1 ILE A 41 109.516 -3.648 16.517 1.00 1.34 C ATOM 0 H ILE A 41 106.763 -6.773 17.242 1.00 1.54 H new ATOM 0 HA ILE A 41 109.045 -5.379 18.615 1.00 1.54 H new ATOM 0 HB ILE A 41 106.334 -4.241 17.784 1.00 1.45 H new ATOM 0 HG12 ILE A 41 107.776 -4.713 15.805 1.00 1.47 H new ATOM 0 HG13 ILE A 41 107.511 -2.997 16.043 1.00 1.47 H new ATOM 0 HG21 ILE A 41 107.331 -2.083 18.437 1.00 1.50 H new ATOM 0 HG22 ILE A 41 107.293 -3.222 19.803 1.00 1.50 H new ATOM 0 HG23 ILE A 41 108.819 -2.921 18.938 1.00 1.50 H new ATOM 0 HD11 ILE A 41 109.888 -3.451 15.511 1.00 1.34 H new ATOM 0 HD12 ILE A 41 109.735 -2.795 17.159 1.00 1.34 H new ATOM 0 HD13 ILE A 41 110.004 -4.537 16.916 1.00 1.34 H new ATOM 578 N TRP A 42 107.851 -5.909 20.808 1.00 1.65 N ATOM 579 CA TRP A 42 107.102 -6.265 22.062 1.00 1.71 C ATOM 580 C TRP A 42 107.565 -5.366 23.206 1.00 1.77 C ATOM 581 O TRP A 42 108.726 -5.023 23.317 1.00 1.78 O ATOM 582 CB TRP A 42 107.293 -7.766 22.395 1.00 1.88 C ATOM 583 CG TRP A 42 108.521 -8.021 23.224 1.00 2.08 C ATOM 584 CD1 TRP A 42 108.696 -7.631 24.512 1.00 2.66 C ATOM 585 CD2 TRP A 42 109.725 -8.755 22.856 1.00 2.36 C ATOM 586 NE1 TRP A 42 109.937 -8.061 24.944 1.00 2.89 N ATOM 587 CE2 TRP A 42 110.608 -8.760 23.961 1.00 2.64 C ATOM 588 CE3 TRP A 42 110.136 -9.404 21.677 1.00 3.00 C ATOM 589 CZ2 TRP A 42 111.852 -9.388 23.902 1.00 3.08 C ATOM 590 CZ3 TRP A 42 111.388 -10.038 21.613 1.00 3.68 C ATOM 591 CH2 TRP A 42 112.244 -10.030 22.724 1.00 3.56 C ATOM 0 H TRP A 42 108.847 -5.725 20.930 1.00 1.65 H new ATOM 0 HA TRP A 42 106.035 -6.100 21.912 1.00 1.71 H new ATOM 0 HB2 TRP A 42 106.416 -8.131 22.930 1.00 1.88 H new ATOM 0 HB3 TRP A 42 107.360 -8.335 21.468 1.00 1.88 H new ATOM 0 HD1 TRP A 42 107.983 -7.076 25.103 1.00 2.66 H new ATOM 0 HE1 TRP A 42 110.311 -7.883 25.876 1.00 2.89 H new ATOM 0 HE3 TRP A 42 109.485 -9.415 20.816 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 112.508 -9.378 24.760 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 111.693 -10.534 20.703 1.00 3.68 H new ATOM 0 HH2 TRP A 42 113.205 -10.519 22.669 1.00 3.56 H new ATOM 602 N THR A 43 106.651 -4.967 24.049 1.00 1.91 N ATOM 603 CA THR A 43 107.014 -4.071 25.182 1.00 2.07 C ATOM 604 C THR A 43 105.984 -4.219 26.304 1.00 1.92 C ATOM 605 O THR A 43 104.833 -4.531 26.072 1.00 2.17 O ATOM 606 CB THR A 43 107.029 -2.611 24.696 1.00 2.42 C ATOM 607 OG1 THR A 43 106.540 -1.767 25.725 1.00 2.72 O ATOM 608 CG2 THR A 43 106.141 -2.460 23.457 1.00 2.89 C ATOM 0 H THR A 43 105.665 -5.225 24.001 1.00 1.91 H new ATOM 0 HA THR A 43 108.001 -4.344 25.556 1.00 2.07 H new ATOM 0 HB THR A 43 108.051 -2.332 24.441 1.00 2.42 H new ATOM 0 HG1 THR A 43 105.569 -1.671 25.635 1.00 2.72 H new ATOM 0 HG21 THR A 43 106.158 -1.423 23.121 1.00 2.89 H new ATOM 0 HG22 THR A 43 106.513 -3.106 22.662 1.00 2.89 H new ATOM 0 HG23 THR A 43 105.118 -2.744 23.706 1.00 2.89 H new ATOM 616 N ARG A 44 106.395 -3.987 27.520 1.00 1.96 N ATOM 617 CA ARG A 44 105.451 -4.101 28.666 1.00 1.92 C ATOM 618 C ARG A 44 106.105 -3.503 29.914 1.00 1.92 C ATOM 619 O ARG A 44 106.338 -4.188 30.890 1.00 2.18 O ATOM 620 CB ARG A 44 105.117 -5.575 28.926 1.00 2.09 C ATOM 621 CG ARG A 44 106.409 -6.418 28.948 1.00 2.62 C ATOM 622 CD ARG A 44 106.882 -6.767 27.518 1.00 3.00 C ATOM 623 NE ARG A 44 107.449 -8.153 27.505 1.00 3.63 N ATOM 624 CZ ARG A 44 108.326 -8.534 28.396 1.00 4.14 C ATOM 625 NH1 ARG A 44 108.860 -7.670 29.213 1.00 4.51 N ATOM 626 NH2 ARG A 44 108.708 -9.781 28.434 1.00 4.63 N ATOM 0 H ARG A 44 107.348 -3.722 27.770 1.00 1.96 H new ATOM 0 HA ARG A 44 104.532 -3.563 28.432 1.00 1.92 H new ATOM 0 HB2 ARG A 44 104.593 -5.675 29.877 1.00 2.09 H new ATOM 0 HB3 ARG A 44 104.445 -5.945 28.151 1.00 2.09 H new ATOM 0 HG2 ARG A 44 107.194 -5.869 29.468 1.00 2.62 H new ATOM 0 HG3 ARG A 44 106.236 -7.336 29.509 1.00 2.62 H new ATOM 0 HD2 ARG A 44 106.048 -6.697 26.820 1.00 3.00 H new ATOM 0 HD3 ARG A 44 107.635 -6.051 27.187 1.00 3.00 H new ATOM 0 HE ARG A 44 107.145 -8.812 26.788 1.00 3.63 H new ATOM 0 HH11 ARG A 44 108.594 -6.687 29.160 1.00 4.51 H new ATOM 0 HH12 ARG A 44 109.544 -7.977 29.905 1.00 4.51 H new ATOM 0 HH21 ARG A 44 108.322 -10.453 27.770 1.00 4.63 H new ATOM 0 HH22 ARG A 44 109.392 -10.084 29.127 1.00 4.63 H new ATOM 640 N GLU A 45 106.409 -2.231 29.893 1.00 1.87 N ATOM 641 CA GLU A 45 107.054 -1.601 31.084 1.00 1.94 C ATOM 642 C GLU A 45 106.767 -0.095 31.101 1.00 1.84 C ATOM 643 O GLU A 45 106.181 0.418 32.033 1.00 1.87 O ATOM 644 CB GLU A 45 108.565 -1.835 31.027 1.00 2.09 C ATOM 645 CG GLU A 45 109.183 -1.534 32.395 1.00 2.37 C ATOM 646 CD GLU A 45 110.707 -1.620 32.298 1.00 2.40 C ATOM 647 OE1 GLU A 45 111.312 -0.644 31.885 1.00 2.89 O ATOM 648 OE2 GLU A 45 111.245 -2.661 32.640 1.00 2.73 O ATOM 0 H GLU A 45 106.240 -1.604 29.107 1.00 1.87 H new ATOM 0 HA GLU A 45 106.648 -2.050 31.991 1.00 1.94 H new ATOM 0 HB2 GLU A 45 108.773 -2.866 30.742 1.00 2.09 H new ATOM 0 HB3 GLU A 45 109.014 -1.197 30.266 1.00 2.09 H new ATOM 0 HG2 GLU A 45 108.885 -0.540 32.729 1.00 2.37 H new ATOM 0 HG3 GLU A 45 108.815 -2.244 33.136 1.00 2.37 H new ATOM 655 N ALA A 46 107.176 0.624 30.087 1.00 1.74 N ATOM 656 CA ALA A 46 106.917 2.094 30.077 1.00 1.71 C ATOM 657 C ALA A 46 105.409 2.343 30.142 1.00 1.64 C ATOM 658 O ALA A 46 104.952 3.313 30.714 1.00 1.71 O ATOM 659 CB ALA A 46 107.483 2.724 28.804 1.00 1.66 C ATOM 0 H ALA A 46 107.673 0.261 29.274 1.00 1.74 H new ATOM 0 HA ALA A 46 107.404 2.546 30.941 1.00 1.71 H new ATOM 0 HB1 ALA A 46 107.287 3.796 28.810 1.00 1.66 H new ATOM 0 HB2 ALA A 46 108.558 2.552 28.760 1.00 1.66 H new ATOM 0 HB3 ALA A 46 107.008 2.273 27.933 1.00 1.66 H new ATOM 665 N GLY A 47 104.630 1.467 29.561 1.00 1.60 N ATOM 666 CA GLY A 47 103.145 1.638 29.587 1.00 1.58 C ATOM 667 C GLY A 47 102.677 2.344 28.312 1.00 1.42 C ATOM 668 O GLY A 47 103.341 2.320 27.295 1.00 1.37 O ATOM 0 H GLY A 47 104.959 0.637 29.068 1.00 1.60 H new ATOM 0 HA2 GLY A 47 102.660 0.666 29.673 1.00 1.58 H new ATOM 0 HA3 GLY A 47 102.853 2.218 30.462 1.00 1.58 H new ATOM 672 N ALA A 48 101.530 2.966 28.361 1.00 1.40 N ATOM 673 CA ALA A 48 100.999 3.671 27.159 1.00 1.27 C ATOM 674 C ALA A 48 102.042 4.656 26.623 1.00 1.21 C ATOM 675 O ALA A 48 102.983 5.015 27.302 1.00 1.37 O ATOM 676 CB ALA A 48 99.732 4.438 27.543 1.00 1.32 C ATOM 0 H ALA A 48 100.934 3.016 29.187 1.00 1.40 H new ATOM 0 HA ALA A 48 100.771 2.937 26.386 1.00 1.27 H new ATOM 0 HB1 ALA A 48 99.340 4.955 26.667 1.00 1.32 H new ATOM 0 HB2 ALA A 48 98.983 3.740 27.917 1.00 1.32 H new ATOM 0 HB3 ALA A 48 99.969 5.166 28.319 1.00 1.32 H new ATOM 682 N GLY A 49 101.874 5.096 25.404 1.00 1.04 N ATOM 683 CA GLY A 49 102.844 6.060 24.811 1.00 1.02 C ATOM 684 C GLY A 49 102.470 6.318 23.349 1.00 0.87 C ATOM 685 O GLY A 49 101.387 5.982 22.910 1.00 0.71 O ATOM 0 H GLY A 49 101.103 4.828 24.792 1.00 1.04 H new ATOM 0 HA2 GLY A 49 102.834 6.995 25.371 1.00 1.02 H new ATOM 0 HA3 GLY A 49 103.856 5.661 24.875 1.00 1.02 H new ATOM 689 N GLY A 50 103.361 6.910 22.590 1.00 0.98 N ATOM 690 CA GLY A 50 103.070 7.194 21.148 1.00 0.86 C ATOM 691 C GLY A 50 104.260 6.744 20.303 1.00 0.86 C ATOM 692 O GLY A 50 105.364 7.223 20.467 1.00 1.06 O ATOM 0 H GLY A 50 104.282 7.210 22.909 1.00 0.98 H new ATOM 0 HA2 GLY A 50 102.167 6.670 20.836 1.00 0.86 H new ATOM 0 HA3 GLY A 50 102.887 8.259 21.003 1.00 0.86 H new ATOM 696 N LEU A 51 104.045 5.824 19.397 1.00 0.74 N ATOM 697 CA LEU A 51 105.164 5.334 18.536 1.00 0.75 C ATOM 698 C LEU A 51 105.079 6.015 17.177 1.00 0.68 C ATOM 699 O LEU A 51 104.251 5.669 16.371 1.00 0.60 O ATOM 700 CB LEU A 51 105.031 3.817 18.360 1.00 0.74 C ATOM 701 CG LEU A 51 106.237 3.256 17.589 1.00 0.81 C ATOM 702 CD1 LEU A 51 107.508 3.312 18.456 1.00 1.10 C ATOM 703 CD2 LEU A 51 105.943 1.802 17.202 1.00 0.77 C ATOM 0 H LEU A 51 103.140 5.390 19.216 1.00 0.74 H new ATOM 0 HA LEU A 51 106.123 5.565 19.000 1.00 0.75 H new ATOM 0 HB2 LEU A 51 104.961 3.337 19.336 1.00 0.74 H new ATOM 0 HB3 LEU A 51 104.110 3.587 17.824 1.00 0.74 H new ATOM 0 HG LEU A 51 106.403 3.858 16.696 1.00 0.81 H new ATOM 0 HD11 LEU A 51 108.351 2.911 17.893 1.00 1.10 H new ATOM 0 HD12 LEU A 51 107.715 4.346 18.731 1.00 1.10 H new ATOM 0 HD13 LEU A 51 107.359 2.719 19.358 1.00 1.10 H new ATOM 0 HD21 LEU A 51 106.792 1.393 16.654 1.00 0.77 H new ATOM 0 HD22 LEU A 51 105.774 1.213 18.103 1.00 0.77 H new ATOM 0 HD23 LEU A 51 105.053 1.766 16.573 1.00 0.77 H new ATOM 715 N SER A 52 105.936 6.974 16.923 1.00 0.75 N ATOM 716 CA SER A 52 105.927 7.688 15.609 1.00 0.71 C ATOM 717 C SER A 52 106.877 6.965 14.651 1.00 0.70 C ATOM 718 O SER A 52 107.914 6.490 15.067 1.00 0.78 O ATOM 719 CB SER A 52 106.412 9.124 15.814 1.00 0.82 C ATOM 720 OG SER A 52 106.681 9.714 14.548 1.00 1.56 O ATOM 0 H SER A 52 106.649 7.295 17.578 1.00 0.75 H new ATOM 0 HA SER A 52 104.918 7.700 15.196 1.00 0.71 H new ATOM 0 HB2 SER A 52 105.656 9.703 16.345 1.00 0.82 H new ATOM 0 HB3 SER A 52 107.311 9.132 16.430 1.00 0.82 H new ATOM 0 HG SER A 52 106.990 10.635 14.675 1.00 1.56 H new ATOM 726 N ILE A 53 106.545 6.869 13.375 1.00 0.61 N ATOM 727 CA ILE A 53 107.452 6.166 12.411 1.00 0.61 C ATOM 728 C ILE A 53 107.636 7.026 11.161 1.00 0.57 C ATOM 729 O ILE A 53 106.772 7.096 10.310 1.00 0.65 O ATOM 730 CB ILE A 53 106.835 4.825 12.013 1.00 0.56 C ATOM 731 CG1 ILE A 53 106.540 4.005 13.272 1.00 0.64 C ATOM 732 CG2 ILE A 53 107.814 4.058 11.123 1.00 0.63 C ATOM 733 CD1 ILE A 53 105.734 2.761 12.896 1.00 0.64 C ATOM 0 H ILE A 53 105.689 7.246 12.968 1.00 0.61 H new ATOM 0 HA ILE A 53 108.419 5.998 12.885 1.00 0.61 H new ATOM 0 HB ILE A 53 105.908 4.999 11.467 1.00 0.56 H new ATOM 0 HG12 ILE A 53 107.472 3.714 13.756 1.00 0.64 H new ATOM 0 HG13 ILE A 53 105.984 4.608 13.989 1.00 0.64 H new ATOM 0 HG21 ILE A 53 107.375 3.102 10.839 1.00 0.63 H new ATOM 0 HG22 ILE A 53 108.024 4.641 10.227 1.00 0.63 H new ATOM 0 HG23 ILE A 53 108.741 3.883 11.668 1.00 0.63 H new ATOM 0 HD11 ILE A 53 105.525 2.178 13.793 1.00 0.64 H new ATOM 0 HD12 ILE A 53 104.795 3.062 12.432 1.00 0.64 H new ATOM 0 HD13 ILE A 53 106.307 2.154 12.195 1.00 0.64 H new ATOM 745 N ALA A 54 108.764 7.673 11.039 1.00 0.60 N ATOM 746 CA ALA A 54 109.023 8.523 9.843 1.00 0.57 C ATOM 747 C ALA A 54 109.770 7.690 8.805 1.00 0.54 C ATOM 748 O ALA A 54 110.941 7.400 8.951 1.00 0.63 O ATOM 749 CB ALA A 54 109.879 9.725 10.247 1.00 0.69 C ATOM 0 H ALA A 54 109.522 7.648 11.722 1.00 0.60 H new ATOM 0 HA ALA A 54 108.081 8.879 9.427 1.00 0.57 H new ATOM 0 HB1 ALA A 54 110.069 10.347 9.372 1.00 0.69 H new ATOM 0 HB2 ALA A 54 109.352 10.310 11.001 1.00 0.69 H new ATOM 0 HB3 ALA A 54 110.827 9.376 10.656 1.00 0.69 H new ATOM 755 N VAL A 55 109.095 7.298 7.761 1.00 0.45 N ATOM 756 CA VAL A 55 109.746 6.471 6.699 1.00 0.47 C ATOM 757 C VAL A 55 110.156 7.371 5.531 1.00 0.41 C ATOM 758 O VAL A 55 109.443 8.277 5.150 1.00 0.39 O ATOM 759 CB VAL A 55 108.752 5.401 6.192 1.00 0.47 C ATOM 760 CG1 VAL A 55 108.932 4.096 6.978 1.00 0.91 C ATOM 761 CG2 VAL A 55 107.314 5.902 6.373 1.00 0.79 C ATOM 0 H VAL A 55 108.113 7.515 7.594 1.00 0.45 H new ATOM 0 HA VAL A 55 110.628 5.982 7.113 1.00 0.47 H new ATOM 0 HB VAL A 55 108.948 5.216 5.136 1.00 0.47 H new ATOM 0 HG11 VAL A 55 108.226 3.350 6.612 1.00 0.91 H new ATOM 0 HG12 VAL A 55 109.950 3.729 6.845 1.00 0.91 H new ATOM 0 HG13 VAL A 55 108.748 4.280 8.036 1.00 0.91 H new ATOM 0 HG21 VAL A 55 106.617 5.145 6.014 1.00 0.79 H new ATOM 0 HG22 VAL A 55 107.127 6.097 7.429 1.00 0.79 H new ATOM 0 HG23 VAL A 55 107.175 6.822 5.804 1.00 0.79 H new ATOM 771 N GLU A 56 111.291 7.106 4.944 1.00 0.44 N ATOM 772 CA GLU A 56 111.748 7.918 3.779 1.00 0.40 C ATOM 773 C GLU A 56 112.406 6.962 2.780 1.00 0.43 C ATOM 774 O GLU A 56 113.039 5.999 3.162 1.00 0.52 O ATOM 775 CB GLU A 56 112.731 8.999 4.262 1.00 0.47 C ATOM 776 CG GLU A 56 113.579 9.512 3.092 1.00 0.49 C ATOM 777 CD GLU A 56 114.298 10.797 3.506 1.00 1.08 C ATOM 778 OE1 GLU A 56 114.693 10.887 4.657 1.00 1.71 O ATOM 779 OE2 GLU A 56 114.443 11.669 2.665 1.00 1.80 O ATOM 0 H GLU A 56 111.926 6.358 5.223 1.00 0.44 H new ATOM 0 HA GLU A 56 110.915 8.428 3.295 1.00 0.40 H new ATOM 0 HB2 GLU A 56 112.180 9.826 4.710 1.00 0.47 H new ATOM 0 HB3 GLU A 56 113.379 8.590 5.037 1.00 0.47 H new ATOM 0 HG2 GLU A 56 114.306 8.755 2.797 1.00 0.49 H new ATOM 0 HG3 GLU A 56 112.945 9.701 2.225 1.00 0.49 H new ATOM 786 N GLY A 57 112.248 7.200 1.507 1.00 0.41 N ATOM 787 CA GLY A 57 112.851 6.281 0.504 1.00 0.49 C ATOM 788 C GLY A 57 112.210 6.530 -0.870 1.00 0.45 C ATOM 789 O GLY A 57 111.450 7.461 -1.024 1.00 0.44 O ATOM 0 H GLY A 57 111.729 7.988 1.120 1.00 0.41 H new ATOM 0 HA2 GLY A 57 113.928 6.441 0.449 1.00 0.49 H new ATOM 0 HA3 GLY A 57 112.698 5.245 0.806 1.00 0.49 H new ATOM 793 N PRO A 58 112.545 5.696 -1.835 1.00 0.50 N ATOM 794 CA PRO A 58 112.009 5.826 -3.209 1.00 0.52 C ATOM 795 C PRO A 58 110.489 5.621 -3.259 1.00 0.54 C ATOM 796 O PRO A 58 109.813 6.224 -4.069 1.00 0.56 O ATOM 797 CB PRO A 58 112.732 4.732 -4.023 1.00 0.63 C ATOM 798 CG PRO A 58 113.727 4.014 -3.064 1.00 0.66 C ATOM 799 CD PRO A 58 113.492 4.577 -1.645 1.00 0.60 C ATOM 0 HA PRO A 58 112.181 6.827 -3.605 1.00 0.52 H new ATOM 0 HB2 PRO A 58 112.014 4.021 -4.432 1.00 0.63 H new ATOM 0 HB3 PRO A 58 113.263 5.171 -4.868 1.00 0.63 H new ATOM 0 HG2 PRO A 58 113.565 2.936 -3.081 1.00 0.66 H new ATOM 0 HG3 PRO A 58 114.756 4.187 -3.380 1.00 0.66 H new ATOM 0 HD2 PRO A 58 113.079 3.817 -0.981 1.00 0.60 H new ATOM 0 HD3 PRO A 58 114.424 4.920 -1.196 1.00 0.60 H new ATOM 807 N SER A 59 109.946 4.774 -2.424 1.00 0.56 N ATOM 808 CA SER A 59 108.465 4.535 -2.453 1.00 0.60 C ATOM 809 C SER A 59 107.911 4.529 -1.032 1.00 0.55 C ATOM 810 O SER A 59 108.615 4.270 -0.076 1.00 0.55 O ATOM 811 CB SER A 59 108.182 3.188 -3.116 1.00 0.71 C ATOM 812 OG SER A 59 108.409 3.299 -4.515 1.00 1.55 O ATOM 0 H SER A 59 110.458 4.237 -1.724 1.00 0.56 H new ATOM 0 HA SER A 59 107.984 5.332 -3.020 1.00 0.60 H new ATOM 0 HB2 SER A 59 108.825 2.418 -2.691 1.00 0.71 H new ATOM 0 HB3 SER A 59 107.153 2.884 -2.925 1.00 0.71 H new ATOM 0 HG SER A 59 107.637 2.941 -5.001 1.00 1.55 H new ATOM 818 N LYS A 60 106.648 4.819 -0.892 1.00 0.59 N ATOM 819 CA LYS A 60 106.030 4.839 0.460 1.00 0.57 C ATOM 820 C LYS A 60 105.851 3.408 0.963 1.00 0.63 C ATOM 821 O LYS A 60 104.884 2.743 0.647 1.00 0.73 O ATOM 822 CB LYS A 60 104.669 5.533 0.382 1.00 0.63 C ATOM 823 CG LYS A 60 104.017 5.534 1.764 1.00 1.23 C ATOM 824 CD LYS A 60 102.762 6.409 1.737 1.00 1.29 C ATOM 825 CE LYS A 60 102.037 6.306 3.081 1.00 1.87 C ATOM 826 NZ LYS A 60 100.658 6.853 2.945 1.00 2.53 N ATOM 0 H LYS A 60 106.016 5.044 -1.660 1.00 0.59 H new ATOM 0 HA LYS A 60 106.676 5.382 1.150 1.00 0.57 H new ATOM 0 HB2 LYS A 60 104.790 6.556 0.025 1.00 0.63 H new ATOM 0 HB3 LYS A 60 104.028 5.019 -0.334 1.00 0.63 H new ATOM 0 HG2 LYS A 60 103.757 4.516 2.056 1.00 1.23 H new ATOM 0 HG3 LYS A 60 104.719 5.910 2.508 1.00 1.23 H new ATOM 0 HD2 LYS A 60 103.033 7.446 1.537 1.00 1.29 H new ATOM 0 HD3 LYS A 60 102.101 6.091 0.930 1.00 1.29 H new ATOM 0 HE2 LYS A 60 101.997 5.266 3.406 1.00 1.87 H new ATOM 0 HE3 LYS A 60 102.585 6.858 3.845 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 100.165 6.783 3.858 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 100.707 7.850 2.654 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 100.138 6.308 2.228 1.00 2.53 H new ATOM 840 N ALA A 61 106.777 2.929 1.747 1.00 0.66 N ATOM 841 CA ALA A 61 106.661 1.543 2.273 1.00 0.76 C ATOM 842 C ALA A 61 105.391 1.426 3.116 1.00 0.77 C ATOM 843 O ALA A 61 105.193 2.167 4.058 1.00 0.78 O ATOM 844 CB ALA A 61 107.881 1.221 3.139 1.00 0.82 C ATOM 0 H ALA A 61 107.609 3.439 2.045 1.00 0.66 H new ATOM 0 HA ALA A 61 106.613 0.840 1.441 1.00 0.76 H new ATOM 0 HB1 ALA A 61 107.796 0.205 3.524 1.00 0.82 H new ATOM 0 HB2 ALA A 61 108.786 1.306 2.538 1.00 0.82 H new ATOM 0 HB3 ALA A 61 107.931 1.922 3.972 1.00 0.82 H new ATOM 850 N GLU A 62 104.527 0.505 2.786 1.00 0.88 N ATOM 851 CA GLU A 62 103.274 0.357 3.576 1.00 0.93 C ATOM 852 C GLU A 62 103.611 -0.222 4.950 1.00 0.96 C ATOM 853 O GLU A 62 104.720 -0.634 5.200 1.00 1.43 O ATOM 854 CB GLU A 62 102.297 -0.573 2.834 1.00 1.11 C ATOM 855 CG GLU A 62 100.860 -0.331 3.313 1.00 1.50 C ATOM 856 CD GLU A 62 99.891 -1.088 2.404 1.00 1.72 C ATOM 857 OE1 GLU A 62 100.169 -2.235 2.098 1.00 2.14 O ATOM 858 OE2 GLU A 62 98.886 -0.506 2.028 1.00 2.30 O ATOM 0 H GLU A 62 104.634 -0.147 2.009 1.00 0.88 H new ATOM 0 HA GLU A 62 102.802 1.332 3.702 1.00 0.93 H new ATOM 0 HB2 GLU A 62 102.363 -0.398 1.760 1.00 1.11 H new ATOM 0 HB3 GLU A 62 102.574 -1.613 3.005 1.00 1.11 H new ATOM 0 HG2 GLU A 62 100.747 -0.666 4.344 1.00 1.50 H new ATOM 0 HG3 GLU A 62 100.634 0.735 3.298 1.00 1.50 H new ATOM 865 N ILE A 63 102.656 -0.251 5.838 1.00 0.97 N ATOM 866 CA ILE A 63 102.886 -0.798 7.208 1.00 0.94 C ATOM 867 C ILE A 63 101.633 -1.582 7.612 1.00 1.01 C ATOM 868 O ILE A 63 100.547 -1.282 7.158 1.00 1.06 O ATOM 869 CB ILE A 63 103.111 0.360 8.193 1.00 0.89 C ATOM 870 CG1 ILE A 63 104.483 0.995 7.935 1.00 1.06 C ATOM 871 CG2 ILE A 63 103.060 -0.167 9.631 1.00 1.28 C ATOM 872 CD1 ILE A 63 104.606 2.297 8.729 1.00 1.40 C ATOM 0 H ILE A 63 101.708 0.087 5.670 1.00 0.97 H new ATOM 0 HA ILE A 63 103.763 -1.445 7.222 1.00 0.94 H new ATOM 0 HB ILE A 63 102.330 1.107 8.052 1.00 0.89 H new ATOM 0 HG12 ILE A 63 105.275 0.304 8.226 1.00 1.06 H new ATOM 0 HG13 ILE A 63 104.608 1.194 6.871 1.00 1.06 H new ATOM 0 HG21 ILE A 63 103.220 0.657 10.326 1.00 1.28 H new ATOM 0 HG22 ILE A 63 102.085 -0.617 9.819 1.00 1.28 H new ATOM 0 HG23 ILE A 63 103.839 -0.917 9.772 1.00 1.28 H new ATOM 0 HD11 ILE A 63 105.582 2.746 8.543 1.00 1.40 H new ATOM 0 HD12 ILE A 63 103.824 2.989 8.417 1.00 1.40 H new ATOM 0 HD13 ILE A 63 104.500 2.086 9.793 1.00 1.40 H new ATOM 884 N ALA A 64 101.750 -2.579 8.458 1.00 1.04 N ATOM 885 CA ALA A 64 100.527 -3.342 8.856 1.00 1.13 C ATOM 886 C ALA A 64 100.705 -3.880 10.279 1.00 1.14 C ATOM 887 O ALA A 64 101.530 -4.732 10.526 1.00 1.36 O ATOM 888 CB ALA A 64 100.303 -4.502 7.860 1.00 1.26 C ATOM 0 H ALA A 64 102.623 -2.892 8.883 1.00 1.04 H new ATOM 0 HA ALA A 64 99.655 -2.688 8.836 1.00 1.13 H new ATOM 0 HB1 ALA A 64 99.412 -5.061 8.147 1.00 1.26 H new ATOM 0 HB2 ALA A 64 100.171 -4.099 6.856 1.00 1.26 H new ATOM 0 HB3 ALA A 64 101.168 -5.166 7.874 1.00 1.26 H new ATOM 894 N PHE A 65 99.929 -3.395 11.211 1.00 1.16 N ATOM 895 CA PHE A 65 100.051 -3.880 12.617 1.00 1.16 C ATOM 896 C PHE A 65 99.176 -5.119 12.813 1.00 1.28 C ATOM 897 O PHE A 65 97.989 -5.100 12.553 1.00 1.35 O ATOM 898 CB PHE A 65 99.596 -2.777 13.576 1.00 1.11 C ATOM 899 CG PHE A 65 98.165 -2.404 13.275 1.00 1.20 C ATOM 900 CD1 PHE A 65 97.882 -1.461 12.280 1.00 1.23 C ATOM 901 CD2 PHE A 65 97.120 -3.000 13.991 1.00 1.30 C ATOM 902 CE1 PHE A 65 96.554 -1.114 12.001 1.00 1.37 C ATOM 903 CE2 PHE A 65 95.793 -2.654 13.712 1.00 1.43 C ATOM 904 CZ PHE A 65 95.510 -1.710 12.718 1.00 1.47 C ATOM 0 H PHE A 65 99.215 -2.683 11.059 1.00 1.16 H new ATOM 0 HA PHE A 65 101.090 -4.137 12.822 1.00 1.16 H new ATOM 0 HB2 PHE A 65 99.684 -3.118 14.607 1.00 1.11 H new ATOM 0 HB3 PHE A 65 100.240 -1.903 13.473 1.00 1.11 H new ATOM 0 HD1 PHE A 65 98.688 -1.001 11.727 1.00 1.23 H new ATOM 0 HD2 PHE A 65 97.338 -3.727 14.759 1.00 1.30 H new ATOM 0 HE1 PHE A 65 96.336 -0.387 11.233 1.00 1.37 H new ATOM 0 HE2 PHE A 65 94.987 -3.115 14.264 1.00 1.43 H new ATOM 0 HZ PHE A 65 94.486 -1.441 12.504 1.00 1.47 H new ATOM 914 N GLU A 66 99.755 -6.197 13.274 1.00 1.35 N ATOM 915 CA GLU A 66 98.966 -7.448 13.497 1.00 1.50 C ATOM 916 C GLU A 66 99.451 -8.128 14.779 1.00 1.54 C ATOM 917 O GLU A 66 100.461 -8.803 14.793 1.00 1.61 O ATOM 918 CB GLU A 66 99.167 -8.395 12.312 1.00 1.62 C ATOM 919 CG GLU A 66 98.338 -9.663 12.526 1.00 1.80 C ATOM 920 CD GLU A 66 98.305 -10.476 11.230 1.00 1.94 C ATOM 921 OE1 GLU A 66 98.462 -9.882 10.176 1.00 2.01 O ATOM 922 OE2 GLU A 66 98.125 -11.680 11.314 1.00 2.51 O ATOM 0 H GLU A 66 100.746 -6.266 13.507 1.00 1.35 H new ATOM 0 HA GLU A 66 97.908 -7.202 13.590 1.00 1.50 H new ATOM 0 HB2 GLU A 66 98.868 -7.904 11.386 1.00 1.62 H new ATOM 0 HB3 GLU A 66 100.222 -8.650 12.211 1.00 1.62 H new ATOM 0 HG2 GLU A 66 98.767 -10.259 13.331 1.00 1.80 H new ATOM 0 HG3 GLU A 66 97.324 -9.401 12.829 1.00 1.80 H new ATOM 929 N ASP A 67 98.739 -7.952 15.859 1.00 1.56 N ATOM 930 CA ASP A 67 99.158 -8.584 17.141 1.00 1.64 C ATOM 931 C ASP A 67 98.865 -10.086 17.091 1.00 1.84 C ATOM 932 O ASP A 67 97.768 -10.503 16.778 1.00 2.03 O ATOM 933 CB ASP A 67 98.383 -7.948 18.298 1.00 1.66 C ATOM 934 CG ASP A 67 96.911 -7.802 17.908 1.00 1.66 C ATOM 935 OD1 ASP A 67 96.305 -8.807 17.573 1.00 2.07 O ATOM 936 OD2 ASP A 67 96.415 -6.688 17.950 1.00 1.95 O ATOM 0 H ASP A 67 97.885 -7.397 15.908 1.00 1.56 H new ATOM 0 HA ASP A 67 100.227 -8.430 17.291 1.00 1.64 H new ATOM 0 HB2 ASP A 67 98.474 -8.564 19.192 1.00 1.66 H new ATOM 0 HB3 ASP A 67 98.805 -6.972 18.539 1.00 1.66 H new ATOM 941 N ARG A 68 99.844 -10.902 17.397 1.00 1.89 N ATOM 942 CA ARG A 68 99.637 -12.384 17.369 1.00 2.13 C ATOM 943 C ARG A 68 99.448 -12.905 18.794 1.00 2.20 C ATOM 944 O ARG A 68 98.711 -13.842 19.028 1.00 2.42 O ATOM 945 CB ARG A 68 100.866 -13.053 16.748 1.00 2.38 C ATOM 946 CG ARG A 68 100.980 -12.649 15.277 1.00 2.81 C ATOM 947 CD ARG A 68 102.235 -13.280 14.673 1.00 3.07 C ATOM 948 NE ARG A 68 103.431 -12.846 15.449 1.00 3.54 N ATOM 949 CZ ARG A 68 104.562 -13.482 15.315 1.00 4.11 C ATOM 950 NH1 ARG A 68 104.644 -14.504 14.507 1.00 4.63 N ATOM 951 NH2 ARG A 68 105.609 -13.099 15.992 1.00 4.56 N ATOM 0 H ARG A 68 100.782 -10.604 17.666 1.00 1.89 H new ATOM 0 HA ARG A 68 98.751 -12.614 16.778 1.00 2.13 H new ATOM 0 HB2 ARG A 68 101.766 -12.757 17.288 1.00 2.38 H new ATOM 0 HB3 ARG A 68 100.785 -14.137 16.833 1.00 2.38 H new ATOM 0 HG2 ARG A 68 100.096 -12.975 14.729 1.00 2.81 H new ATOM 0 HG3 ARG A 68 101.027 -11.564 15.189 1.00 2.81 H new ATOM 0 HD2 ARG A 68 102.152 -14.367 14.689 1.00 3.07 H new ATOM 0 HD3 ARG A 68 102.338 -12.983 13.629 1.00 3.07 H new ATOM 0 HE ARG A 68 103.365 -12.051 16.085 1.00 3.54 H new ATOM 0 HH11 ARG A 68 103.824 -14.805 13.981 1.00 4.63 H new ATOM 0 HH12 ARG A 68 105.528 -15.001 14.402 1.00 4.63 H new ATOM 0 HH21 ARG A 68 105.543 -12.303 16.626 1.00 4.56 H new ATOM 0 HH22 ARG A 68 106.494 -13.596 15.888 1.00 4.56 H new ATOM 965 N LYS A 69 100.113 -12.301 19.746 1.00 2.12 N ATOM 966 CA LYS A 69 99.993 -12.741 21.170 1.00 2.31 C ATOM 967 C LYS A 69 99.526 -11.561 22.017 1.00 2.26 C ATOM 968 O LYS A 69 99.563 -11.606 23.230 1.00 2.46 O ATOM 969 CB LYS A 69 101.367 -13.206 21.669 1.00 2.41 C ATOM 970 CG LYS A 69 102.052 -14.040 20.581 1.00 2.56 C ATOM 971 CD LYS A 69 103.193 -14.857 21.195 1.00 2.70 C ATOM 972 CE LYS A 69 104.240 -13.913 21.790 1.00 3.11 C ATOM 973 NZ LYS A 69 105.487 -14.677 22.078 1.00 3.49 N ATOM 0 H LYS A 69 100.742 -11.512 19.595 1.00 2.12 H new ATOM 0 HA LYS A 69 99.276 -13.559 21.247 1.00 2.31 H new ATOM 0 HB2 LYS A 69 101.984 -12.344 21.923 1.00 2.41 H new ATOM 0 HB3 LYS A 69 101.254 -13.797 22.578 1.00 2.41 H new ATOM 0 HG2 LYS A 69 101.328 -14.705 20.110 1.00 2.56 H new ATOM 0 HG3 LYS A 69 102.440 -13.387 19.799 1.00 2.56 H new ATOM 0 HD2 LYS A 69 102.804 -15.519 21.969 1.00 2.70 H new ATOM 0 HD3 LYS A 69 103.650 -15.490 20.435 1.00 2.70 H new ATOM 0 HE2 LYS A 69 104.450 -13.100 21.095 1.00 3.11 H new ATOM 0 HE3 LYS A 69 103.859 -13.459 22.705 1.00 3.11 H new ATOM 0 HZ1 LYS A 69 106.200 -14.037 22.483 1.00 3.49 H new ATOM 0 HZ2 LYS A 69 105.279 -15.438 22.756 1.00 3.49 H new ATOM 0 HZ3 LYS A 69 105.853 -15.090 21.196 1.00 3.49 H new ATOM 987 N ASP A 70 99.104 -10.499 21.388 1.00 2.12 N ATOM 988 CA ASP A 70 98.651 -9.306 22.159 1.00 2.24 C ATOM 989 C ASP A 70 99.881 -8.616 22.758 1.00 2.16 C ATOM 990 O ASP A 70 99.938 -7.407 22.873 1.00 2.34 O ATOM 991 CB ASP A 70 97.695 -9.753 23.285 1.00 2.58 C ATOM 992 CG ASP A 70 96.644 -8.668 23.553 1.00 2.68 C ATOM 993 OD1 ASP A 70 95.645 -8.653 22.854 1.00 3.06 O ATOM 994 OD2 ASP A 70 96.859 -7.874 24.454 1.00 2.89 O ATOM 0 H ASP A 70 99.053 -10.405 20.374 1.00 2.12 H new ATOM 0 HA ASP A 70 98.123 -8.613 21.505 1.00 2.24 H new ATOM 0 HB2 ASP A 70 97.203 -10.684 23.005 1.00 2.58 H new ATOM 0 HB3 ASP A 70 98.262 -9.953 24.195 1.00 2.58 H new ATOM 999 N GLY A 71 100.865 -9.385 23.144 1.00 2.05 N ATOM 1000 CA GLY A 71 102.096 -8.799 23.742 1.00 2.02 C ATOM 1001 C GLY A 71 103.113 -8.487 22.642 1.00 1.94 C ATOM 1002 O GLY A 71 103.816 -7.498 22.699 1.00 2.16 O ATOM 0 H GLY A 71 100.866 -10.402 23.069 1.00 2.05 H new ATOM 0 HA2 GLY A 71 101.848 -7.889 24.288 1.00 2.02 H new ATOM 0 HA3 GLY A 71 102.528 -9.495 24.462 1.00 2.02 H new ATOM 1006 N SER A 72 103.201 -9.324 21.642 1.00 1.78 N ATOM 1007 CA SER A 72 104.179 -9.080 20.536 1.00 1.72 C ATOM 1008 C SER A 72 103.478 -8.364 19.379 1.00 1.60 C ATOM 1009 O SER A 72 102.610 -8.914 18.731 1.00 1.64 O ATOM 1010 CB SER A 72 104.727 -10.420 20.042 1.00 1.82 C ATOM 1011 OG SER A 72 105.634 -10.190 18.972 1.00 2.20 O ATOM 0 H SER A 72 102.638 -10.168 21.542 1.00 1.78 H new ATOM 0 HA SER A 72 104.996 -8.460 20.905 1.00 1.72 H new ATOM 0 HB2 SER A 72 105.231 -10.942 20.855 1.00 1.82 H new ATOM 0 HB3 SER A 72 103.910 -11.060 19.710 1.00 1.82 H new ATOM 0 HG SER A 72 105.988 -11.046 18.654 1.00 2.20 H new ATOM 1017 N CYS A 73 103.849 -7.138 19.115 1.00 1.50 N ATOM 1018 CA CYS A 73 103.207 -6.382 17.999 1.00 1.40 C ATOM 1019 C CYS A 73 103.955 -6.663 16.693 1.00 1.37 C ATOM 1020 O CYS A 73 105.102 -6.296 16.531 1.00 1.39 O ATOM 1021 CB CYS A 73 103.259 -4.883 18.306 1.00 1.31 C ATOM 1022 SG CYS A 73 101.989 -4.474 19.529 1.00 2.05 S ATOM 0 H CYS A 73 104.570 -6.627 19.625 1.00 1.50 H new ATOM 0 HA CYS A 73 102.169 -6.697 17.895 1.00 1.40 H new ATOM 0 HB2 CYS A 73 104.245 -4.612 18.685 1.00 1.31 H new ATOM 0 HB3 CYS A 73 103.099 -4.308 17.394 1.00 1.31 H new ATOM 0 HG CYS A 73 102.034 -3.202 19.792 1.00 2.05 H new ATOM 1028 N GLY A 74 103.311 -7.310 15.757 1.00 1.39 N ATOM 1029 CA GLY A 74 103.974 -7.617 14.454 1.00 1.38 C ATOM 1030 C GLY A 74 103.639 -6.515 13.449 1.00 1.28 C ATOM 1031 O GLY A 74 102.492 -6.299 13.112 1.00 1.26 O ATOM 0 H GLY A 74 102.350 -7.641 15.839 1.00 1.39 H new ATOM 0 HA2 GLY A 74 105.053 -7.687 14.589 1.00 1.38 H new ATOM 0 HA3 GLY A 74 103.636 -8.583 14.079 1.00 1.38 H new ATOM 1035 N VAL A 75 104.637 -5.815 12.970 1.00 1.25 N ATOM 1036 CA VAL A 75 104.397 -4.709 11.978 1.00 1.16 C ATOM 1037 C VAL A 75 104.866 -5.169 10.595 1.00 1.20 C ATOM 1038 O VAL A 75 106.049 -5.240 10.318 1.00 1.25 O ATOM 1039 CB VAL A 75 105.171 -3.427 12.412 1.00 1.11 C ATOM 1040 CG1 VAL A 75 104.190 -2.286 12.719 1.00 1.31 C ATOM 1041 CG2 VAL A 75 105.996 -3.712 13.670 1.00 1.57 C ATOM 0 H VAL A 75 105.615 -5.959 13.222 1.00 1.25 H new ATOM 0 HA VAL A 75 103.333 -4.473 11.940 1.00 1.16 H new ATOM 0 HB VAL A 75 105.828 -3.135 11.593 1.00 1.11 H new ATOM 0 HG11 VAL A 75 104.747 -1.399 13.020 1.00 1.31 H new ATOM 0 HG12 VAL A 75 103.603 -2.061 11.828 1.00 1.31 H new ATOM 0 HG13 VAL A 75 103.523 -2.587 13.526 1.00 1.31 H new ATOM 0 HG21 VAL A 75 106.533 -2.810 13.965 1.00 1.57 H new ATOM 0 HG22 VAL A 75 105.333 -4.020 14.478 1.00 1.57 H new ATOM 0 HG23 VAL A 75 106.711 -4.509 13.464 1.00 1.57 H new ATOM 1051 N SER A 76 103.943 -5.473 9.720 1.00 1.22 N ATOM 1052 CA SER A 76 104.324 -5.913 8.348 1.00 1.29 C ATOM 1053 C SER A 76 104.427 -4.678 7.453 1.00 1.19 C ATOM 1054 O SER A 76 103.764 -3.691 7.680 1.00 1.20 O ATOM 1055 CB SER A 76 103.265 -6.876 7.799 1.00 1.40 C ATOM 1056 OG SER A 76 102.792 -7.704 8.854 1.00 1.85 O ATOM 0 H SER A 76 102.939 -5.435 9.898 1.00 1.22 H new ATOM 0 HA SER A 76 105.283 -6.431 8.373 1.00 1.29 H new ATOM 0 HB2 SER A 76 102.438 -6.315 7.362 1.00 1.40 H new ATOM 0 HB3 SER A 76 103.690 -7.488 7.004 1.00 1.40 H new ATOM 0 HG SER A 76 102.113 -8.320 8.507 1.00 1.85 H new ATOM 1062 N TYR A 77 105.262 -4.717 6.447 1.00 1.21 N ATOM 1063 CA TYR A 77 105.419 -3.529 5.549 1.00 1.12 C ATOM 1064 C TYR A 77 105.694 -4.006 4.120 1.00 1.20 C ATOM 1065 O TYR A 77 105.868 -5.184 3.879 1.00 1.43 O ATOM 1066 CB TYR A 77 106.611 -2.692 6.040 1.00 1.07 C ATOM 1067 CG TYR A 77 107.892 -3.477 5.847 1.00 1.14 C ATOM 1068 CD1 TYR A 77 108.151 -4.598 6.642 1.00 1.33 C ATOM 1069 CD2 TYR A 77 108.812 -3.090 4.863 1.00 1.18 C ATOM 1070 CE1 TYR A 77 109.328 -5.331 6.457 1.00 1.47 C ATOM 1071 CE2 TYR A 77 109.989 -3.824 4.677 1.00 1.28 C ATOM 1072 CZ TYR A 77 110.247 -4.945 5.473 1.00 1.39 C ATOM 1073 OH TYR A 77 111.407 -5.670 5.290 1.00 1.54 O ATOM 0 H TYR A 77 105.843 -5.520 6.207 1.00 1.21 H new ATOM 0 HA TYR A 77 104.509 -2.929 5.564 1.00 1.12 H new ATOM 0 HB2 TYR A 77 106.661 -1.753 5.489 1.00 1.07 H new ATOM 0 HB3 TYR A 77 106.482 -2.438 7.092 1.00 1.07 H new ATOM 0 HD1 TYR A 77 107.442 -4.898 7.399 1.00 1.33 H new ATOM 0 HD2 TYR A 77 108.613 -2.225 4.248 1.00 1.18 H new ATOM 0 HE1 TYR A 77 109.528 -6.195 7.073 1.00 1.47 H new ATOM 0 HE2 TYR A 77 110.698 -3.525 3.919 1.00 1.28 H new ATOM 0 HH TYR A 77 111.933 -5.268 4.567 1.00 1.54 H new ATOM 1083 N VAL A 78 105.747 -3.105 3.165 1.00 1.13 N ATOM 1084 CA VAL A 78 106.027 -3.540 1.754 1.00 1.21 C ATOM 1085 C VAL A 78 106.851 -2.476 1.012 1.00 1.14 C ATOM 1086 O VAL A 78 106.410 -1.368 0.795 1.00 1.11 O ATOM 1087 CB VAL A 78 104.696 -3.793 1.021 1.00 1.29 C ATOM 1088 CG1 VAL A 78 104.038 -2.463 0.621 1.00 1.81 C ATOM 1089 CG2 VAL A 78 104.957 -4.634 -0.235 1.00 1.90 C ATOM 0 H VAL A 78 105.611 -2.103 3.296 1.00 1.13 H new ATOM 0 HA VAL A 78 106.607 -4.463 1.776 1.00 1.21 H new ATOM 0 HB VAL A 78 104.023 -4.328 1.691 1.00 1.29 H new ATOM 0 HG11 VAL A 78 103.099 -2.662 0.104 1.00 1.81 H new ATOM 0 HG12 VAL A 78 103.842 -1.871 1.515 1.00 1.81 H new ATOM 0 HG13 VAL A 78 104.706 -1.911 -0.040 1.00 1.81 H new ATOM 0 HG21 VAL A 78 104.016 -4.814 -0.755 1.00 1.90 H new ATOM 0 HG22 VAL A 78 105.640 -4.099 -0.895 1.00 1.90 H new ATOM 0 HG23 VAL A 78 105.401 -5.587 0.051 1.00 1.90 H new ATOM 1099 N VAL A 79 108.048 -2.819 0.609 1.00 1.17 N ATOM 1100 CA VAL A 79 108.906 -1.845 -0.134 1.00 1.11 C ATOM 1101 C VAL A 79 108.650 -2.008 -1.632 1.00 1.15 C ATOM 1102 O VAL A 79 108.292 -3.073 -2.090 1.00 1.24 O ATOM 1103 CB VAL A 79 110.377 -2.130 0.167 1.00 1.14 C ATOM 1104 CG1 VAL A 79 110.700 -1.689 1.600 1.00 1.13 C ATOM 1105 CG2 VAL A 79 110.641 -3.631 0.020 1.00 1.27 C ATOM 0 H VAL A 79 108.470 -3.735 0.763 1.00 1.17 H new ATOM 0 HA VAL A 79 108.667 -0.827 0.175 1.00 1.11 H new ATOM 0 HB VAL A 79 111.008 -1.579 -0.531 1.00 1.14 H new ATOM 0 HG11 VAL A 79 111.749 -1.892 1.815 1.00 1.13 H new ATOM 0 HG12 VAL A 79 110.508 -0.621 1.704 1.00 1.13 H new ATOM 0 HG13 VAL A 79 110.073 -2.240 2.300 1.00 1.13 H new ATOM 0 HG21 VAL A 79 111.689 -3.839 0.234 1.00 1.27 H new ATOM 0 HG22 VAL A 79 110.012 -4.181 0.720 1.00 1.27 H new ATOM 0 HG23 VAL A 79 110.410 -3.943 -0.998 1.00 1.27 H new ATOM 1115 N GLN A 80 108.815 -0.964 -2.403 1.00 1.10 N ATOM 1116 CA GLN A 80 108.556 -1.071 -3.870 1.00 1.15 C ATOM 1117 C GLN A 80 109.851 -1.368 -4.631 1.00 1.17 C ATOM 1118 O GLN A 80 109.880 -2.223 -5.492 1.00 1.25 O ATOM 1119 CB GLN A 80 107.962 0.251 -4.374 1.00 1.11 C ATOM 1120 CG GLN A 80 107.245 0.022 -5.708 1.00 1.18 C ATOM 1121 CD GLN A 80 105.937 -0.733 -5.462 1.00 1.80 C ATOM 1122 OE1 GLN A 80 105.719 -1.791 -6.017 1.00 2.47 O ATOM 1123 NE2 GLN A 80 105.052 -0.231 -4.645 1.00 2.48 N ATOM 0 H GLN A 80 109.117 -0.044 -2.081 1.00 1.10 H new ATOM 0 HA GLN A 80 107.857 -1.889 -4.043 1.00 1.15 H new ATOM 0 HB2 GLN A 80 107.263 0.650 -3.639 1.00 1.11 H new ATOM 0 HB3 GLN A 80 108.752 0.992 -4.498 1.00 1.11 H new ATOM 0 HG2 GLN A 80 107.040 0.977 -6.192 1.00 1.18 H new ATOM 0 HG3 GLN A 80 107.884 -0.547 -6.383 1.00 1.18 H new ATOM 0 HE21 GLN A 80 105.235 0.658 -4.179 1.00 2.48 H new ATOM 0 HE22 GLN A 80 104.178 -0.727 -4.473 1.00 2.48 H new ATOM 1132 N GLU A 81 110.922 -0.663 -4.351 1.00 1.11 N ATOM 1133 CA GLU A 81 112.193 -0.921 -5.110 1.00 1.13 C ATOM 1134 C GLU A 81 113.431 -0.526 -4.270 1.00 1.07 C ATOM 1135 O GLU A 81 113.358 0.392 -3.478 1.00 0.98 O ATOM 1136 CB GLU A 81 112.202 -0.068 -6.393 1.00 1.11 C ATOM 1137 CG GLU A 81 111.105 -0.513 -7.372 1.00 1.43 C ATOM 1138 CD GLU A 81 111.256 -2.000 -7.708 1.00 1.37 C ATOM 1139 OE1 GLU A 81 112.382 -2.437 -7.880 1.00 1.92 O ATOM 1140 OE2 GLU A 81 110.243 -2.675 -7.787 1.00 1.65 O ATOM 0 H GLU A 81 110.974 0.069 -3.642 1.00 1.11 H new ATOM 0 HA GLU A 81 112.236 -1.985 -5.343 1.00 1.13 H new ATOM 0 HB2 GLU A 81 112.057 0.981 -6.135 1.00 1.11 H new ATOM 0 HB3 GLU A 81 113.176 -0.146 -6.876 1.00 1.11 H new ATOM 0 HG2 GLU A 81 110.123 -0.331 -6.935 1.00 1.43 H new ATOM 0 HG3 GLU A 81 111.162 0.080 -8.285 1.00 1.43 H new ATOM 1147 N PRO A 82 114.551 -1.210 -4.490 1.00 1.14 N ATOM 1148 CA PRO A 82 115.818 -0.919 -3.793 1.00 1.14 C ATOM 1149 C PRO A 82 116.049 0.560 -3.549 1.00 1.00 C ATOM 1150 O PRO A 82 115.432 1.424 -4.140 1.00 0.91 O ATOM 1151 CB PRO A 82 116.881 -1.501 -4.724 1.00 1.23 C ATOM 1152 CG PRO A 82 116.183 -2.664 -5.444 1.00 1.30 C ATOM 1153 CD PRO A 82 114.674 -2.346 -5.433 1.00 1.26 C ATOM 0 HA PRO A 82 115.830 -1.351 -2.792 1.00 1.14 H new ATOM 0 HB2 PRO A 82 117.237 -0.754 -5.433 1.00 1.23 H new ATOM 0 HB3 PRO A 82 117.750 -1.848 -4.164 1.00 1.23 H new ATOM 0 HG2 PRO A 82 116.551 -2.764 -6.465 1.00 1.30 H new ATOM 0 HG3 PRO A 82 116.384 -3.609 -4.939 1.00 1.30 H new ATOM 0 HD2 PRO A 82 114.316 -2.079 -6.427 1.00 1.26 H new ATOM 0 HD3 PRO A 82 114.088 -3.204 -5.102 1.00 1.26 H new ATOM 1161 N GLY A 83 116.959 0.834 -2.662 1.00 0.99 N ATOM 1162 CA GLY A 83 117.294 2.246 -2.323 1.00 0.89 C ATOM 1163 C GLY A 83 117.711 2.327 -0.857 1.00 0.92 C ATOM 1164 O GLY A 83 117.985 1.327 -0.222 1.00 1.02 O ATOM 0 H GLY A 83 117.493 0.132 -2.149 1.00 0.99 H new ATOM 0 HA2 GLY A 83 118.100 2.604 -2.963 1.00 0.89 H new ATOM 0 HA3 GLY A 83 116.433 2.890 -2.504 1.00 0.89 H new ATOM 1168 N ASP A 84 117.753 3.515 -0.315 1.00 0.87 N ATOM 1169 CA ASP A 84 118.143 3.694 1.115 1.00 0.93 C ATOM 1170 C ASP A 84 116.896 4.044 1.921 1.00 0.83 C ATOM 1171 O ASP A 84 116.572 5.200 2.106 1.00 0.76 O ATOM 1172 CB ASP A 84 119.152 4.839 1.223 1.00 0.98 C ATOM 1173 CG ASP A 84 120.247 4.657 0.171 1.00 1.39 C ATOM 1174 OD1 ASP A 84 120.347 3.567 -0.369 1.00 2.06 O ATOM 1175 OD2 ASP A 84 120.968 5.609 -0.077 1.00 2.13 O ATOM 0 H ASP A 84 117.531 4.380 -0.808 1.00 0.87 H new ATOM 0 HA ASP A 84 118.591 2.777 1.498 1.00 0.93 H new ATOM 0 HB2 ASP A 84 118.649 5.795 1.078 1.00 0.98 H new ATOM 0 HB3 ASP A 84 119.591 4.858 2.220 1.00 0.98 H new ATOM 1180 N TYR A 85 116.191 3.060 2.404 1.00 0.84 N ATOM 1181 CA TYR A 85 114.969 3.353 3.194 1.00 0.76 C ATOM 1182 C TYR A 85 115.397 3.804 4.589 1.00 0.80 C ATOM 1183 O TYR A 85 116.197 3.169 5.243 1.00 0.92 O ATOM 1184 CB TYR A 85 114.090 2.088 3.268 1.00 0.80 C ATOM 1185 CG TYR A 85 113.005 2.143 2.216 1.00 0.73 C ATOM 1186 CD1 TYR A 85 111.813 2.823 2.482 1.00 0.64 C ATOM 1187 CD2 TYR A 85 113.197 1.516 0.981 1.00 0.78 C ATOM 1188 CE1 TYR A 85 110.809 2.876 1.511 1.00 0.61 C ATOM 1189 CE2 TYR A 85 112.194 1.568 0.008 1.00 0.75 C ATOM 1190 CZ TYR A 85 110.998 2.249 0.273 1.00 0.67 C ATOM 1191 OH TYR A 85 110.007 2.301 -0.684 1.00 0.68 O ATOM 0 H TYR A 85 116.409 2.071 2.285 1.00 0.84 H new ATOM 0 HA TYR A 85 114.385 4.144 2.724 1.00 0.76 H new ATOM 0 HB2 TYR A 85 114.705 1.200 3.121 1.00 0.80 H new ATOM 0 HB3 TYR A 85 113.642 2.005 4.258 1.00 0.80 H new ATOM 0 HD1 TYR A 85 111.668 3.307 3.437 1.00 0.64 H new ATOM 0 HD2 TYR A 85 114.119 0.992 0.779 1.00 0.78 H new ATOM 0 HE1 TYR A 85 109.887 3.401 1.715 1.00 0.61 H new ATOM 0 HE2 TYR A 85 112.341 1.084 -0.946 1.00 0.75 H new ATOM 0 HH TYR A 85 109.168 2.592 -0.270 1.00 0.68 H new ATOM 1201 N GLU A 86 114.870 4.911 5.031 1.00 0.73 N ATOM 1202 CA GLU A 86 115.228 5.464 6.376 1.00 0.78 C ATOM 1203 C GLU A 86 114.015 5.319 7.295 1.00 0.74 C ATOM 1204 O GLU A 86 112.951 5.826 7.008 1.00 0.68 O ATOM 1205 CB GLU A 86 115.625 6.968 6.249 1.00 0.78 C ATOM 1206 CG GLU A 86 115.721 7.390 4.772 1.00 0.72 C ATOM 1207 CD GLU A 86 116.983 6.788 4.151 1.00 0.85 C ATOM 1208 OE1 GLU A 86 117.348 5.693 4.544 1.00 1.26 O ATOM 1209 OE2 GLU A 86 117.564 7.434 3.294 1.00 1.53 O ATOM 0 H GLU A 86 114.193 5.469 4.510 1.00 0.73 H new ATOM 0 HA GLU A 86 116.077 4.919 6.789 1.00 0.78 H new ATOM 0 HB2 GLU A 86 114.888 7.587 6.761 1.00 0.78 H new ATOM 0 HB3 GLU A 86 116.582 7.138 6.743 1.00 0.78 H new ATOM 0 HG2 GLU A 86 114.839 7.053 4.228 1.00 0.72 H new ATOM 0 HG3 GLU A 86 115.747 8.477 4.694 1.00 0.72 H new ATOM 1216 N VAL A 87 114.169 4.624 8.392 1.00 0.81 N ATOM 1217 CA VAL A 87 113.032 4.426 9.341 1.00 0.78 C ATOM 1218 C VAL A 87 113.398 4.999 10.711 1.00 0.86 C ATOM 1219 O VAL A 87 114.478 4.763 11.224 1.00 0.99 O ATOM 1220 CB VAL A 87 112.759 2.930 9.455 1.00 0.84 C ATOM 1221 CG1 VAL A 87 113.921 2.241 10.177 1.00 1.00 C ATOM 1222 CG2 VAL A 87 111.462 2.701 10.235 1.00 0.83 C ATOM 0 H VAL A 87 115.043 4.180 8.674 1.00 0.81 H new ATOM 0 HA VAL A 87 112.142 4.940 8.978 1.00 0.78 H new ATOM 0 HB VAL A 87 112.659 2.509 8.455 1.00 0.84 H new ATOM 0 HG11 VAL A 87 113.719 1.173 10.255 1.00 1.00 H new ATOM 0 HG12 VAL A 87 114.842 2.396 9.615 1.00 1.00 H new ATOM 0 HG13 VAL A 87 114.030 2.663 11.176 1.00 1.00 H new ATOM 0 HG21 VAL A 87 111.270 1.631 10.315 1.00 0.83 H new ATOM 0 HG22 VAL A 87 111.558 3.128 11.233 1.00 0.83 H new ATOM 0 HG23 VAL A 87 110.634 3.181 9.713 1.00 0.83 H new ATOM 1232 N SER A 88 112.500 5.754 11.301 1.00 0.81 N ATOM 1233 CA SER A 88 112.765 6.365 12.643 1.00 0.91 C ATOM 1234 C SER A 88 111.612 6.040 13.591 1.00 0.87 C ATOM 1235 O SER A 88 110.562 6.647 13.535 1.00 0.84 O ATOM 1236 CB SER A 88 112.890 7.882 12.496 1.00 0.94 C ATOM 1237 OG SER A 88 113.397 8.430 13.706 1.00 1.59 O ATOM 0 H SER A 88 111.586 5.975 10.905 1.00 0.81 H new ATOM 0 HA SER A 88 113.692 5.960 13.048 1.00 0.91 H new ATOM 0 HB2 SER A 88 113.554 8.125 11.667 1.00 0.94 H new ATOM 0 HB3 SER A 88 111.918 8.318 12.265 1.00 0.94 H new ATOM 0 HG SER A 88 113.768 7.712 14.260 1.00 1.59 H new ATOM 1243 N ILE A 89 111.804 5.079 14.463 1.00 0.99 N ATOM 1244 CA ILE A 89 110.730 4.688 15.429 1.00 0.98 C ATOM 1245 C ILE A 89 111.110 5.159 16.840 1.00 1.08 C ATOM 1246 O ILE A 89 112.209 4.934 17.308 1.00 1.20 O ATOM 1247 CB ILE A 89 110.551 3.154 15.385 1.00 1.03 C ATOM 1248 CG1 ILE A 89 111.525 2.458 16.357 1.00 1.19 C ATOM 1249 CG2 ILE A 89 110.812 2.660 13.956 1.00 1.00 C ATOM 1250 CD1 ILE A 89 111.562 0.950 16.084 1.00 1.29 C ATOM 0 H ILE A 89 112.668 4.544 14.547 1.00 0.99 H new ATOM 0 HA ILE A 89 109.786 5.160 15.157 1.00 0.98 H new ATOM 0 HB ILE A 89 109.533 2.910 15.687 1.00 1.03 H new ATOM 0 HG12 ILE A 89 112.524 2.879 16.245 1.00 1.19 H new ATOM 0 HG13 ILE A 89 111.215 2.641 17.386 1.00 1.19 H new ATOM 0 HG21 ILE A 89 110.688 1.578 13.917 1.00 1.00 H new ATOM 0 HG22 ILE A 89 110.105 3.132 13.273 1.00 1.00 H new ATOM 0 HG23 ILE A 89 111.829 2.919 13.661 1.00 1.00 H new ATOM 0 HD11 ILE A 89 112.254 0.472 16.777 1.00 1.29 H new ATOM 0 HD12 ILE A 89 110.565 0.531 16.219 1.00 1.29 H new ATOM 0 HD13 ILE A 89 111.894 0.773 15.061 1.00 1.29 H new ATOM 1262 N LYS A 90 110.204 5.812 17.515 1.00 1.05 N ATOM 1263 CA LYS A 90 110.486 6.308 18.894 1.00 1.16 C ATOM 1264 C LYS A 90 109.247 6.097 19.763 1.00 1.11 C ATOM 1265 O LYS A 90 108.168 6.507 19.399 1.00 1.01 O ATOM 1266 CB LYS A 90 110.785 7.808 18.830 1.00 1.22 C ATOM 1267 CG LYS A 90 109.546 8.572 18.304 1.00 1.15 C ATOM 1268 CD LYS A 90 109.980 9.814 17.493 1.00 1.34 C ATOM 1269 CE LYS A 90 110.270 9.432 16.032 1.00 1.04 C ATOM 1270 NZ LYS A 90 111.602 8.768 15.939 1.00 1.58 N ATOM 0 H LYS A 90 109.270 6.026 17.167 1.00 1.05 H new ATOM 0 HA LYS A 90 111.336 5.770 19.314 1.00 1.16 H new ATOM 0 HB2 LYS A 90 111.056 8.176 19.820 1.00 1.22 H new ATOM 0 HB3 LYS A 90 111.639 7.990 18.177 1.00 1.22 H new ATOM 0 HG2 LYS A 90 108.944 7.913 17.678 1.00 1.15 H new ATOM 0 HG3 LYS A 90 108.918 8.878 19.141 1.00 1.15 H new ATOM 0 HD2 LYS A 90 109.196 10.570 17.528 1.00 1.34 H new ATOM 0 HD3 LYS A 90 110.869 10.256 17.942 1.00 1.34 H new ATOM 0 HE2 LYS A 90 109.493 8.764 15.660 1.00 1.04 H new ATOM 0 HE3 LYS A 90 110.252 10.322 15.403 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 112.080 9.070 15.066 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 112.181 9.034 16.761 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 111.475 7.736 15.925 1.00 1.58 H new ATOM 1284 N PHE A 91 109.373 5.485 20.918 1.00 1.21 N ATOM 1285 CA PHE A 91 108.158 5.296 21.771 1.00 1.18 C ATOM 1286 C PHE A 91 107.947 6.563 22.596 1.00 1.22 C ATOM 1287 O PHE A 91 108.549 6.749 23.633 1.00 1.34 O ATOM 1288 CB PHE A 91 108.339 4.089 22.693 1.00 1.29 C ATOM 1289 CG PHE A 91 107.019 3.761 23.353 1.00 1.24 C ATOM 1290 CD1 PHE A 91 105.952 3.293 22.578 1.00 1.19 C ATOM 1291 CD2 PHE A 91 106.859 3.926 24.736 1.00 1.32 C ATOM 1292 CE1 PHE A 91 104.727 2.990 23.183 1.00 1.22 C ATOM 1293 CE2 PHE A 91 105.634 3.622 25.341 1.00 1.29 C ATOM 1294 CZ PHE A 91 104.568 3.154 24.564 1.00 1.24 C ATOM 0 H PHE A 91 110.244 5.116 21.299 1.00 1.21 H new ATOM 0 HA PHE A 91 107.288 5.112 21.141 1.00 1.18 H new ATOM 0 HB2 PHE A 91 108.696 3.232 22.123 1.00 1.29 H new ATOM 0 HB3 PHE A 91 109.093 4.305 23.450 1.00 1.29 H new ATOM 0 HD1 PHE A 91 106.074 3.166 21.512 1.00 1.19 H new ATOM 0 HD2 PHE A 91 107.682 4.288 25.335 1.00 1.32 H new ATOM 0 HE1 PHE A 91 103.904 2.629 22.584 1.00 1.22 H new ATOM 0 HE2 PHE A 91 105.511 3.748 26.407 1.00 1.29 H new ATOM 0 HZ PHE A 91 103.622 2.919 25.030 1.00 1.24 H new ATOM 1304 N ASN A 92 107.114 7.448 22.124 1.00 1.15 N ATOM 1305 CA ASN A 92 106.880 8.723 22.854 1.00 1.23 C ATOM 1306 C ASN A 92 108.161 9.556 22.768 1.00 1.32 C ATOM 1307 O ASN A 92 108.568 10.187 23.720 1.00 1.42 O ATOM 1308 CB ASN A 92 106.527 8.432 24.326 1.00 1.32 C ATOM 1309 CG ASN A 92 105.675 9.572 24.895 1.00 1.74 C ATOM 1310 OD1 ASN A 92 105.804 10.776 24.407 1.00 2.32 O flip ATOM 1311 ND2 ASN A 92 104.883 9.364 25.793 1.00 2.24 N flip ATOM 0 H ASN A 92 106.583 7.341 21.260 1.00 1.15 H new ATOM 0 HA ASN A 92 106.047 9.269 22.410 1.00 1.23 H new ATOM 0 HB2 ASN A 92 105.984 7.490 24.399 1.00 1.32 H new ATOM 0 HB3 ASN A 92 107.439 8.321 24.912 1.00 1.32 H new ATOM 0 HD21 ASN A 92 104.781 8.424 26.175 1.00 2.24 H new ATOM 0 HD22 ASN A 92 104.320 10.129 26.164 1.00 2.24 H new ATOM 1318 N ASP A 93 108.794 9.536 21.621 1.00 1.28 N ATOM 1319 CA ASP A 93 110.067 10.298 21.408 1.00 1.37 C ATOM 1320 C ASP A 93 111.255 9.500 21.939 1.00 1.45 C ATOM 1321 O ASP A 93 112.345 10.016 22.084 1.00 1.53 O ATOM 1322 CB ASP A 93 110.031 11.663 22.097 1.00 1.46 C ATOM 1323 CG ASP A 93 108.636 12.278 21.962 1.00 1.46 C ATOM 1324 OD1 ASP A 93 108.292 12.682 20.863 1.00 1.83 O ATOM 1325 OD2 ASP A 93 107.937 12.337 22.960 1.00 1.92 O ATOM 0 H ASP A 93 108.476 9.013 20.805 1.00 1.28 H new ATOM 0 HA ASP A 93 110.175 10.456 20.335 1.00 1.37 H new ATOM 0 HB2 ASP A 93 110.290 11.555 23.150 1.00 1.46 H new ATOM 0 HB3 ASP A 93 110.774 12.324 21.652 1.00 1.46 H new ATOM 1330 N GLU A 94 111.062 8.243 22.210 1.00 1.43 N ATOM 1331 CA GLU A 94 112.187 7.409 22.707 1.00 1.53 C ATOM 1332 C GLU A 94 112.931 6.832 21.501 1.00 1.52 C ATOM 1333 O GLU A 94 112.743 5.691 21.138 1.00 1.48 O ATOM 1334 CB GLU A 94 111.620 6.269 23.558 1.00 1.56 C ATOM 1335 CG GLU A 94 111.395 6.751 24.992 1.00 1.95 C ATOM 1336 CD GLU A 94 110.575 5.712 25.749 1.00 1.88 C ATOM 1337 OE1 GLU A 94 110.466 4.608 25.253 1.00 2.25 O ATOM 1338 OE2 GLU A 94 110.068 6.039 26.810 1.00 2.24 O ATOM 0 H GLU A 94 110.172 7.756 22.109 1.00 1.43 H new ATOM 0 HA GLU A 94 112.870 8.006 23.311 1.00 1.53 H new ATOM 0 HB2 GLU A 94 110.680 5.918 23.132 1.00 1.56 H new ATOM 0 HB3 GLU A 94 112.308 5.423 23.553 1.00 1.56 H new ATOM 0 HG2 GLU A 94 112.352 6.909 25.489 1.00 1.95 H new ATOM 0 HG3 GLU A 94 110.876 7.709 24.989 1.00 1.95 H new ATOM 1345 N HIS A 95 113.760 7.620 20.873 1.00 1.59 N ATOM 1346 CA HIS A 95 114.506 7.130 19.677 1.00 1.59 C ATOM 1347 C HIS A 95 115.300 5.863 20.018 1.00 1.71 C ATOM 1348 O HIS A 95 116.287 5.905 20.726 1.00 1.86 O ATOM 1349 CB HIS A 95 115.469 8.219 19.199 1.00 1.65 C ATOM 1350 CG HIS A 95 114.712 9.503 18.997 1.00 1.94 C ATOM 1351 ND1 HIS A 95 114.275 10.458 19.881 1.00 2.24 N flip ATOM 1352 CD2 HIS A 95 114.306 9.934 17.744 1.00 2.62 C flip ATOM 1353 CE1 HIS A 95 113.608 11.466 19.191 1.00 2.68 C flip ATOM 1354 NE2 HIS A 95 113.655 11.101 17.907 1.00 2.88 N flip ATOM 0 H HIS A 95 113.954 8.586 21.137 1.00 1.59 H new ATOM 0 HA HIS A 95 113.790 6.893 18.890 1.00 1.59 H new ATOM 0 HB2 HIS A 95 116.264 8.364 19.931 1.00 1.65 H new ATOM 0 HB3 HIS A 95 115.946 7.915 18.267 1.00 1.65 H new ATOM 0 HD2 HIS A 95 114.480 9.426 16.807 1.00 2.62 H new ATOM 0 HE1 HIS A 95 113.151 12.353 19.605 1.00 2.68 H new ATOM 0 HE2 HIS A 95 113.247 11.641 17.143 1.00 2.88 H new ATOM 1362 N ILE A 96 114.882 4.740 19.499 1.00 1.67 N ATOM 1363 CA ILE A 96 115.610 3.465 19.763 1.00 1.82 C ATOM 1364 C ILE A 96 116.999 3.574 19.087 1.00 1.88 C ATOM 1365 O ILE A 96 117.073 4.040 17.966 1.00 1.77 O ATOM 1366 CB ILE A 96 114.769 2.307 19.150 1.00 1.82 C ATOM 1367 CG1 ILE A 96 113.742 1.815 20.179 1.00 1.98 C ATOM 1368 CG2 ILE A 96 115.635 1.112 18.716 1.00 2.35 C ATOM 1369 CD1 ILE A 96 112.924 2.997 20.707 1.00 2.27 C ATOM 0 H ILE A 96 114.062 4.650 18.899 1.00 1.67 H new ATOM 0 HA ILE A 96 115.749 3.273 20.827 1.00 1.82 H new ATOM 0 HB ILE A 96 114.277 2.708 18.264 1.00 1.82 H new ATOM 0 HG12 ILE A 96 113.080 1.079 19.722 1.00 1.98 H new ATOM 0 HG13 ILE A 96 114.251 1.317 21.004 1.00 1.98 H new ATOM 0 HG21 ILE A 96 114.997 0.334 18.296 1.00 2.35 H new ATOM 0 HG22 ILE A 96 116.354 1.438 17.964 1.00 2.35 H new ATOM 0 HG23 ILE A 96 116.168 0.716 19.580 1.00 2.35 H new ATOM 0 HD11 ILE A 96 112.197 2.640 21.437 1.00 2.27 H new ATOM 0 HD12 ILE A 96 113.590 3.718 21.181 1.00 2.27 H new ATOM 0 HD13 ILE A 96 112.401 3.476 19.879 1.00 2.27 H new ATOM 1381 N PRO A 97 118.071 3.155 19.756 1.00 2.08 N ATOM 1382 CA PRO A 97 119.419 3.243 19.163 1.00 2.18 C ATOM 1383 C PRO A 97 119.383 2.847 17.680 1.00 2.06 C ATOM 1384 O PRO A 97 119.998 3.487 16.850 1.00 2.32 O ATOM 1385 CB PRO A 97 120.282 2.291 20.015 1.00 2.43 C ATOM 1386 CG PRO A 97 119.481 2.005 21.320 1.00 2.48 C ATOM 1387 CD PRO A 97 118.050 2.562 21.115 1.00 2.25 C ATOM 0 HA PRO A 97 119.827 4.254 19.175 1.00 2.18 H new ATOM 0 HB2 PRO A 97 120.485 1.366 19.475 1.00 2.43 H new ATOM 0 HB3 PRO A 97 121.246 2.744 20.245 1.00 2.43 H new ATOM 0 HG2 PRO A 97 119.451 0.935 21.525 1.00 2.48 H new ATOM 0 HG3 PRO A 97 119.959 2.481 22.176 1.00 2.48 H new ATOM 0 HD2 PRO A 97 117.302 1.772 21.192 1.00 2.25 H new ATOM 0 HD3 PRO A 97 117.803 3.309 21.870 1.00 2.25 H new ATOM 1395 N ASP A 98 118.649 1.829 17.329 1.00 2.10 N ATOM 1396 CA ASP A 98 118.570 1.456 15.891 1.00 1.98 C ATOM 1397 C ASP A 98 118.079 2.665 15.119 1.00 1.76 C ATOM 1398 O ASP A 98 118.783 3.231 14.315 1.00 1.73 O ATOM 1399 CB ASP A 98 117.591 0.293 15.692 1.00 1.95 C ATOM 1400 CG ASP A 98 117.855 -0.787 16.742 1.00 2.28 C ATOM 1401 OD1 ASP A 98 118.750 -0.596 17.549 1.00 2.64 O ATOM 1402 OD2 ASP A 98 117.157 -1.788 16.722 1.00 2.65 O ATOM 0 H ASP A 98 118.107 1.246 17.967 1.00 2.10 H new ATOM 0 HA ASP A 98 119.552 1.143 15.537 1.00 1.98 H new ATOM 0 HB2 ASP A 98 116.565 0.651 15.774 1.00 1.95 H new ATOM 0 HB3 ASP A 98 117.704 -0.124 14.691 1.00 1.95 H new ATOM 1407 N SER A 99 116.875 3.071 15.357 1.00 1.67 N ATOM 1408 CA SER A 99 116.340 4.239 14.623 1.00 1.48 C ATOM 1409 C SER A 99 117.078 5.514 15.074 1.00 1.62 C ATOM 1410 O SER A 99 117.401 5.634 16.239 1.00 1.87 O ATOM 1411 CB SER A 99 114.843 4.359 14.935 1.00 1.48 C ATOM 1412 OG SER A 99 114.510 5.720 15.189 1.00 2.00 O ATOM 0 H SER A 99 116.236 2.646 16.028 1.00 1.67 H new ATOM 0 HA SER A 99 116.486 4.113 13.550 1.00 1.48 H new ATOM 0 HB2 SER A 99 114.256 3.982 14.097 1.00 1.48 H new ATOM 0 HB3 SER A 99 114.593 3.746 15.801 1.00 1.48 H new ATOM 0 HG SER A 99 113.817 5.764 15.881 1.00 2.00 H new ATOM 1418 N PRO A 100 117.302 6.457 14.169 1.00 1.55 N ATOM 1419 CA PRO A 100 116.933 6.375 12.729 1.00 1.33 C ATOM 1420 C PRO A 100 118.044 5.644 11.934 1.00 1.33 C ATOM 1421 O PRO A 100 119.126 6.178 11.791 1.00 1.47 O ATOM 1422 CB PRO A 100 116.879 7.856 12.289 1.00 1.43 C ATOM 1423 CG PRO A 100 117.667 8.675 13.352 1.00 1.74 C ATOM 1424 CD PRO A 100 117.927 7.737 14.552 1.00 1.79 C ATOM 0 HA PRO A 100 116.002 5.833 12.559 1.00 1.33 H new ATOM 0 HB2 PRO A 100 117.321 7.981 11.300 1.00 1.43 H new ATOM 0 HB3 PRO A 100 115.847 8.201 12.223 1.00 1.43 H new ATOM 0 HG2 PRO A 100 118.607 9.039 12.938 1.00 1.74 H new ATOM 0 HG3 PRO A 100 117.096 9.550 13.664 1.00 1.74 H new ATOM 0 HD2 PRO A 100 118.995 7.617 14.737 1.00 1.79 H new ATOM 0 HD3 PRO A 100 117.488 8.134 15.467 1.00 1.79 H new ATOM 1432 N PHE A 101 117.801 4.455 11.390 1.00 1.25 N ATOM 1433 CA PHE A 101 118.887 3.763 10.581 1.00 1.36 C ATOM 1434 C PHE A 101 118.385 3.489 9.161 1.00 1.24 C ATOM 1435 O PHE A 101 117.207 3.574 8.875 1.00 1.16 O ATOM 1436 CB PHE A 101 119.356 2.457 11.249 1.00 1.55 C ATOM 1437 CG PHE A 101 118.322 1.361 11.132 1.00 1.46 C ATOM 1438 CD1 PHE A 101 117.254 1.307 12.028 1.00 1.50 C ATOM 1439 CD2 PHE A 101 118.452 0.382 10.144 1.00 1.78 C ATOM 1440 CE1 PHE A 101 116.312 0.281 11.937 1.00 1.83 C ATOM 1441 CE2 PHE A 101 117.508 -0.647 10.047 1.00 2.18 C ATOM 1442 CZ PHE A 101 116.436 -0.697 10.944 1.00 2.19 C ATOM 0 H PHE A 101 116.921 3.945 11.468 1.00 1.25 H new ATOM 0 HA PHE A 101 119.748 4.430 10.537 1.00 1.36 H new ATOM 0 HB2 PHE A 101 120.287 2.128 10.788 1.00 1.55 H new ATOM 0 HB3 PHE A 101 119.569 2.644 12.301 1.00 1.55 H new ATOM 0 HD1 PHE A 101 117.156 2.061 12.794 1.00 1.50 H new ATOM 0 HD2 PHE A 101 119.282 0.419 9.454 1.00 1.78 H new ATOM 0 HE1 PHE A 101 115.487 0.242 12.633 1.00 1.83 H new ATOM 0 HE2 PHE A 101 117.607 -1.401 9.281 1.00 2.18 H new ATOM 0 HZ PHE A 101 115.705 -1.489 10.870 1.00 2.19 H new ATOM 1452 N VAL A 102 119.289 3.194 8.258 1.00 1.28 N ATOM 1453 CA VAL A 102 118.898 2.952 6.837 1.00 1.21 C ATOM 1454 C VAL A 102 118.525 1.485 6.623 1.00 1.23 C ATOM 1455 O VAL A 102 119.111 0.594 7.196 1.00 1.34 O ATOM 1456 CB VAL A 102 120.078 3.313 5.929 1.00 1.31 C ATOM 1457 CG1 VAL A 102 121.295 2.466 6.306 1.00 1.44 C ATOM 1458 CG2 VAL A 102 119.708 3.044 4.468 1.00 1.29 C ATOM 0 H VAL A 102 120.288 3.110 8.448 1.00 1.28 H new ATOM 0 HA VAL A 102 118.032 3.569 6.597 1.00 1.21 H new ATOM 0 HB VAL A 102 120.315 4.369 6.055 1.00 1.31 H new ATOM 0 HG11 VAL A 102 122.133 2.725 5.659 1.00 1.44 H new ATOM 0 HG12 VAL A 102 121.565 2.659 7.344 1.00 1.44 H new ATOM 0 HG13 VAL A 102 121.055 1.410 6.184 1.00 1.44 H new ATOM 0 HG21 VAL A 102 120.550 3.302 3.826 1.00 1.29 H new ATOM 0 HG22 VAL A 102 119.466 1.989 4.342 1.00 1.29 H new ATOM 0 HG23 VAL A 102 118.844 3.649 4.194 1.00 1.29 H new ATOM 1468 N VAL A 103 117.556 1.236 5.779 1.00 1.15 N ATOM 1469 CA VAL A 103 117.123 -0.168 5.487 1.00 1.19 C ATOM 1470 C VAL A 103 117.382 -0.460 3.993 1.00 1.19 C ATOM 1471 O VAL A 103 116.525 -0.204 3.174 1.00 1.10 O ATOM 1472 CB VAL A 103 115.623 -0.286 5.775 1.00 1.11 C ATOM 1473 CG1 VAL A 103 115.106 -1.648 5.297 1.00 1.18 C ATOM 1474 CG2 VAL A 103 115.389 -0.153 7.283 1.00 1.14 C ATOM 0 H VAL A 103 117.039 1.954 5.272 1.00 1.15 H new ATOM 0 HA VAL A 103 117.675 -0.877 6.104 1.00 1.19 H new ATOM 0 HB VAL A 103 115.090 0.504 5.246 1.00 1.11 H new ATOM 0 HG11 VAL A 103 114.039 -1.725 5.505 1.00 1.18 H new ATOM 0 HG12 VAL A 103 115.275 -1.745 4.225 1.00 1.18 H new ATOM 0 HG13 VAL A 103 115.636 -2.443 5.821 1.00 1.18 H new ATOM 0 HG21 VAL A 103 114.323 -0.236 7.495 1.00 1.14 H new ATOM 0 HG22 VAL A 103 115.925 -0.945 7.806 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.752 0.817 7.623 1.00 1.14 H new ATOM 1484 N PRO A 104 118.559 -0.952 3.657 1.00 1.29 N ATOM 1485 CA PRO A 104 118.899 -1.223 2.245 1.00 1.30 C ATOM 1486 C PRO A 104 117.983 -2.298 1.629 1.00 1.33 C ATOM 1487 O PRO A 104 118.033 -3.461 1.986 1.00 1.44 O ATOM 1488 CB PRO A 104 120.376 -1.691 2.272 1.00 1.42 C ATOM 1489 CG PRO A 104 120.853 -1.650 3.753 1.00 1.49 C ATOM 1490 CD PRO A 104 119.636 -1.268 4.622 1.00 1.41 C ATOM 0 HA PRO A 104 118.760 -0.338 1.624 1.00 1.30 H new ATOM 0 HB2 PRO A 104 120.466 -2.699 1.868 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.995 -1.043 1.652 1.00 1.42 H new ATOM 0 HG2 PRO A 104 121.250 -2.619 4.055 1.00 1.49 H new ATOM 0 HG3 PRO A 104 121.656 -0.923 3.877 1.00 1.49 H new ATOM 0 HD2 PRO A 104 119.348 -2.088 5.280 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.859 -0.412 5.259 1.00 1.41 H new ATOM 1498 N VAL A 105 117.180 -1.914 0.670 1.00 1.25 N ATOM 1499 CA VAL A 105 116.297 -2.894 -0.026 1.00 1.29 C ATOM 1500 C VAL A 105 117.047 -3.303 -1.307 1.00 1.35 C ATOM 1501 O VAL A 105 117.708 -2.478 -1.915 1.00 1.31 O ATOM 1502 CB VAL A 105 114.956 -2.210 -0.339 1.00 1.19 C ATOM 1503 CG1 VAL A 105 114.102 -3.078 -1.275 1.00 1.26 C ATOM 1504 CG2 VAL A 105 114.192 -1.979 0.968 1.00 1.15 C ATOM 0 H VAL A 105 117.099 -0.953 0.337 1.00 1.25 H new ATOM 0 HA VAL A 105 116.078 -3.777 0.575 1.00 1.29 H new ATOM 0 HB VAL A 105 115.158 -1.260 -0.834 1.00 1.19 H new ATOM 0 HG11 VAL A 105 113.159 -2.572 -1.481 1.00 1.26 H new ATOM 0 HG12 VAL A 105 114.638 -3.241 -2.210 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.902 -4.038 -0.799 1.00 1.26 H new ATOM 0 HG21 VAL A 105 113.240 -1.494 0.752 1.00 1.15 H new ATOM 0 HG22 VAL A 105 114.009 -2.936 1.457 1.00 1.15 H new ATOM 0 HG23 VAL A 105 114.782 -1.342 1.627 1.00 1.15 H new ATOM 1514 N ALA A 106 117.007 -4.568 -1.690 1.00 1.46 N ATOM 1515 CA ALA A 106 117.786 -5.028 -2.902 1.00 1.53 C ATOM 1516 C ALA A 106 116.921 -5.881 -3.859 1.00 1.59 C ATOM 1517 O ALA A 106 116.226 -6.786 -3.461 1.00 1.66 O ATOM 1518 CB ALA A 106 118.980 -5.860 -2.400 1.00 1.67 C ATOM 0 H ALA A 106 116.472 -5.298 -1.219 1.00 1.46 H new ATOM 0 HA ALA A 106 118.117 -4.155 -3.465 1.00 1.53 H new ATOM 0 HB1 ALA A 106 119.564 -6.208 -3.252 1.00 1.67 H new ATOM 0 HB2 ALA A 106 119.608 -5.244 -1.757 1.00 1.67 H new ATOM 0 HB3 ALA A 106 118.614 -6.718 -1.836 1.00 1.67 H new ATOM 1524 N SER A 107 116.986 -5.593 -5.132 1.00 1.59 N ATOM 1525 CA SER A 107 116.208 -6.363 -6.146 1.00 1.67 C ATOM 1526 C SER A 107 117.155 -7.347 -6.814 1.00 1.81 C ATOM 1527 O SER A 107 117.762 -7.056 -7.825 1.00 1.83 O ATOM 1528 CB SER A 107 115.644 -5.412 -7.204 1.00 1.60 C ATOM 1529 OG SER A 107 114.769 -6.132 -8.062 1.00 2.04 O ATOM 0 H SER A 107 117.557 -4.842 -5.519 1.00 1.59 H new ATOM 0 HA SER A 107 115.381 -6.886 -5.665 1.00 1.67 H new ATOM 0 HB2 SER A 107 115.109 -4.592 -6.725 1.00 1.60 H new ATOM 0 HB3 SER A 107 116.455 -4.969 -7.781 1.00 1.60 H new ATOM 0 HG SER A 107 114.404 -5.526 -8.740 1.00 2.04 H new ATOM 1535 N LEU A 108 117.309 -8.496 -6.233 1.00 1.98 N ATOM 1536 CA LEU A 108 118.247 -9.502 -6.802 1.00 2.16 C ATOM 1537 C LEU A 108 119.642 -8.881 -6.816 1.00 2.13 C ATOM 1538 O LEU A 108 120.591 -9.445 -7.324 1.00 2.33 O ATOM 1539 CB LEU A 108 117.824 -9.882 -8.228 1.00 2.25 C ATOM 1540 CG LEU A 108 116.307 -10.088 -8.282 1.00 2.76 C ATOM 1541 CD1 LEU A 108 115.916 -10.638 -9.655 1.00 3.20 C ATOM 1542 CD2 LEU A 108 115.886 -11.084 -7.197 1.00 3.20 C ATOM 0 H LEU A 108 116.825 -8.787 -5.384 1.00 1.98 H new ATOM 0 HA LEU A 108 118.238 -10.409 -6.198 1.00 2.16 H new ATOM 0 HB2 LEU A 108 118.119 -9.098 -8.926 1.00 2.25 H new ATOM 0 HB3 LEU A 108 118.335 -10.793 -8.538 1.00 2.25 H new ATOM 0 HG LEU A 108 115.806 -9.135 -8.114 1.00 2.76 H new ATOM 0 HD11 LEU A 108 114.837 -10.785 -9.694 1.00 3.20 H new ATOM 0 HD12 LEU A 108 116.214 -9.931 -10.429 1.00 3.20 H new ATOM 0 HD13 LEU A 108 116.418 -11.591 -9.822 1.00 3.20 H new ATOM 0 HD21 LEU A 108 114.807 -11.230 -7.236 1.00 3.20 H new ATOM 0 HD22 LEU A 108 116.387 -12.037 -7.364 1.00 3.20 H new ATOM 0 HD23 LEU A 108 116.164 -10.694 -6.218 1.00 3.20 H new ATOM 1554 N SER A 109 119.759 -7.712 -6.243 1.00 1.93 N ATOM 1555 CA SER A 109 121.070 -7.007 -6.185 1.00 1.92 C ATOM 1556 C SER A 109 121.716 -7.260 -4.827 1.00 2.00 C ATOM 1557 O SER A 109 122.917 -7.160 -4.672 1.00 2.09 O ATOM 1558 CB SER A 109 120.840 -5.515 -6.381 1.00 1.77 C ATOM 1559 OG SER A 109 120.296 -4.960 -5.192 1.00 2.06 O ATOM 0 H SER A 109 118.987 -7.209 -5.806 1.00 1.93 H new ATOM 0 HA SER A 109 121.730 -7.377 -6.970 1.00 1.92 H new ATOM 0 HB2 SER A 109 121.779 -5.021 -6.629 1.00 1.77 H new ATOM 0 HB3 SER A 109 120.161 -5.347 -7.217 1.00 1.77 H new ATOM 0 HG SER A 109 119.371 -5.265 -5.082 1.00 2.06 H new ATOM 1565 N ASP A 110 120.931 -7.581 -3.833 1.00 1.99 N ATOM 1566 CA ASP A 110 121.512 -7.829 -2.485 1.00 2.10 C ATOM 1567 C ASP A 110 122.373 -6.630 -2.103 1.00 2.06 C ATOM 1568 O ASP A 110 123.125 -6.663 -1.149 1.00 2.19 O ATOM 1569 CB ASP A 110 122.377 -9.091 -2.520 1.00 2.32 C ATOM 1570 CG ASP A 110 122.817 -9.446 -1.099 1.00 2.37 C ATOM 1571 OD1 ASP A 110 121.957 -9.530 -0.237 1.00 2.61 O ATOM 1572 OD2 ASP A 110 124.007 -9.627 -0.896 1.00 2.85 O ATOM 0 H ASP A 110 119.918 -7.681 -3.897 1.00 1.99 H new ATOM 0 HA ASP A 110 120.715 -7.967 -1.755 1.00 2.10 H new ATOM 0 HB2 ASP A 110 121.816 -9.918 -2.956 1.00 2.32 H new ATOM 0 HB3 ASP A 110 123.250 -8.929 -3.153 1.00 2.32 H new ATOM 1577 N ASP A 111 122.265 -5.570 -2.854 1.00 1.92 N ATOM 1578 CA ASP A 111 123.069 -4.358 -2.561 1.00 1.92 C ATOM 1579 C ASP A 111 122.602 -3.205 -3.453 1.00 1.78 C ATOM 1580 O ASP A 111 122.678 -2.056 -3.067 1.00 1.80 O ATOM 1581 CB ASP A 111 124.547 -4.648 -2.839 1.00 2.09 C ATOM 1582 CG ASP A 111 125.399 -3.483 -2.332 1.00 1.97 C ATOM 1583 OD1 ASP A 111 125.473 -3.309 -1.127 1.00 2.46 O ATOM 1584 OD2 ASP A 111 125.964 -2.785 -3.158 1.00 2.24 O ATOM 0 H ASP A 111 121.649 -5.494 -3.663 1.00 1.92 H new ATOM 0 HA ASP A 111 122.941 -4.083 -1.514 1.00 1.92 H new ATOM 0 HB2 ASP A 111 124.846 -5.573 -2.346 1.00 2.09 H new ATOM 0 HB3 ASP A 111 124.706 -4.791 -3.908 1.00 2.09 H new ATOM 1589 N ALA A 112 122.112 -3.496 -4.641 1.00 1.71 N ATOM 1590 CA ALA A 112 121.640 -2.397 -5.547 1.00 1.63 C ATOM 1591 C ALA A 112 122.621 -1.219 -5.502 1.00 1.84 C ATOM 1592 O ALA A 112 122.431 -0.268 -4.770 1.00 2.08 O ATOM 1593 CB ALA A 112 120.255 -1.931 -5.097 1.00 1.53 C ATOM 0 H ALA A 112 122.020 -4.439 -5.018 1.00 1.71 H new ATOM 0 HA ALA A 112 121.587 -2.772 -6.569 1.00 1.63 H new ATOM 0 HB1 ALA A 112 119.909 -1.132 -5.753 1.00 1.53 H new ATOM 0 HB2 ALA A 112 119.557 -2.767 -5.143 1.00 1.53 H new ATOM 0 HB3 ALA A 112 120.310 -1.561 -4.073 1.00 1.53 H new ATOM 1599 N ARG A 113 123.671 -1.278 -6.273 1.00 2.07 N ATOM 1600 CA ARG A 113 124.662 -0.166 -6.266 1.00 2.38 C ATOM 1601 C ARG A 113 124.047 1.066 -6.950 1.00 2.26 C ATOM 1602 O ARG A 113 123.230 0.955 -7.842 1.00 2.13 O ATOM 1603 CB ARG A 113 125.946 -0.624 -7.008 1.00 2.71 C ATOM 1604 CG ARG A 113 127.166 -0.559 -6.067 1.00 3.42 C ATOM 1605 CD ARG A 113 127.446 0.901 -5.653 1.00 4.01 C ATOM 1606 NE ARG A 113 128.925 1.138 -5.617 1.00 4.89 N ATOM 1607 CZ ARG A 113 129.731 0.308 -5.008 1.00 5.44 C ATOM 1608 NH1 ARG A 113 129.255 -0.671 -4.289 1.00 5.93 N ATOM 1609 NH2 ARG A 113 131.021 0.486 -5.083 1.00 5.81 N ATOM 0 H ARG A 113 123.886 -2.048 -6.907 1.00 2.07 H new ATOM 0 HA ARG A 113 124.925 0.099 -5.242 1.00 2.38 H new ATOM 0 HB2 ARG A 113 125.817 -1.642 -7.376 1.00 2.71 H new ATOM 0 HB3 ARG A 113 126.116 0.010 -7.878 1.00 2.71 H new ATOM 0 HG2 ARG A 113 126.983 -1.167 -5.181 1.00 3.42 H new ATOM 0 HG3 ARG A 113 128.041 -0.977 -6.565 1.00 3.42 H new ATOM 0 HD2 ARG A 113 126.975 1.586 -6.358 1.00 4.01 H new ATOM 0 HD3 ARG A 113 127.011 1.102 -4.674 1.00 4.01 H new ATOM 0 HE ARG A 113 129.311 1.963 -6.077 1.00 4.89 H new ATOM 0 HH11 ARG A 113 128.246 -0.794 -4.198 1.00 5.93 H new ATOM 0 HH12 ARG A 113 129.891 -1.314 -3.817 1.00 5.93 H new ATOM 0 HH21 ARG A 113 131.397 1.270 -5.615 1.00 5.81 H new ATOM 0 HH22 ARG A 113 131.653 -0.159 -4.609 1.00 5.81 H new ATOM 1623 N ARG A 114 124.442 2.237 -6.528 1.00 2.56 N ATOM 1624 CA ARG A 114 123.901 3.493 -7.129 1.00 2.68 C ATOM 1625 C ARG A 114 124.838 3.958 -8.253 1.00 2.88 C ATOM 1626 O ARG A 114 124.678 5.022 -8.816 1.00 3.11 O ATOM 1627 CB ARG A 114 123.849 4.562 -6.037 1.00 3.13 C ATOM 1628 CG ARG A 114 122.918 5.710 -6.462 1.00 3.38 C ATOM 1629 CD ARG A 114 122.755 6.730 -5.310 1.00 3.88 C ATOM 1630 NE ARG A 114 121.314 7.122 -5.173 1.00 4.34 N ATOM 1631 CZ ARG A 114 120.595 7.446 -6.217 1.00 4.96 C ATOM 1632 NH1 ARG A 114 121.145 7.547 -7.395 1.00 5.24 N ATOM 1633 NH2 ARG A 114 119.324 7.705 -6.072 1.00 5.61 N ATOM 0 H ARG A 114 125.125 2.380 -5.784 1.00 2.56 H new ATOM 0 HA ARG A 114 122.905 3.322 -7.537 1.00 2.68 H new ATOM 0 HB2 ARG A 114 123.495 4.123 -5.104 1.00 3.13 H new ATOM 0 HB3 ARG A 114 124.851 4.948 -5.847 1.00 3.13 H new ATOM 0 HG2 ARG A 114 123.324 6.208 -7.342 1.00 3.38 H new ATOM 0 HG3 ARG A 114 121.943 5.311 -6.743 1.00 3.38 H new ATOM 0 HD2 ARG A 114 123.113 6.297 -4.376 1.00 3.88 H new ATOM 0 HD3 ARG A 114 123.364 7.613 -5.506 1.00 3.88 H new ATOM 0 HE ARG A 114 120.886 7.136 -4.247 1.00 4.34 H new ATOM 0 HH11 ARG A 114 122.144 7.373 -7.508 1.00 5.24 H new ATOM 0 HH12 ARG A 114 120.577 7.800 -8.203 1.00 5.24 H new ATOM 0 HH21 ARG A 114 118.895 7.654 -5.148 1.00 5.61 H new ATOM 0 HH22 ARG A 114 118.759 7.958 -6.883 1.00 5.61 H new ATOM 1647 N LEU A 115 125.818 3.159 -8.567 1.00 2.94 N ATOM 1648 CA LEU A 115 126.804 3.518 -9.646 1.00 3.30 C ATOM 1649 C LEU A 115 126.909 2.367 -10.653 1.00 3.36 C ATOM 1650 O LEU A 115 127.300 2.556 -11.788 1.00 3.66 O ATOM 1651 CB LEU A 115 128.180 3.761 -9.017 1.00 3.73 C ATOM 1652 CG LEU A 115 128.066 4.774 -7.870 1.00 3.89 C ATOM 1653 CD1 LEU A 115 129.389 4.823 -7.105 1.00 4.39 C ATOM 1654 CD2 LEU A 115 127.750 6.167 -8.432 1.00 4.19 C ATOM 0 H LEU A 115 125.987 2.258 -8.120 1.00 2.94 H new ATOM 0 HA LEU A 115 126.466 4.420 -10.157 1.00 3.30 H new ATOM 0 HB2 LEU A 115 128.588 2.822 -8.643 1.00 3.73 H new ATOM 0 HB3 LEU A 115 128.873 4.132 -9.772 1.00 3.73 H new ATOM 0 HG LEU A 115 127.263 4.468 -7.199 1.00 3.89 H new ATOM 0 HD11 LEU A 115 129.311 5.542 -6.289 1.00 4.39 H new ATOM 0 HD12 LEU A 115 129.611 3.836 -6.699 1.00 4.39 H new ATOM 0 HD13 LEU A 115 130.189 5.126 -7.781 1.00 4.39 H new ATOM 0 HD21 LEU A 115 127.671 6.881 -7.612 1.00 4.19 H new ATOM 0 HD22 LEU A 115 128.548 6.477 -9.107 1.00 4.19 H new ATOM 0 HD23 LEU A 115 126.807 6.134 -8.977 1.00 4.19 H new ATOM 1666 N THR A 116 126.544 1.180 -10.246 1.00 3.21 N ATOM 1667 CA THR A 116 126.589 -0.006 -11.160 1.00 3.48 C ATOM 1668 C THR A 116 125.155 -0.421 -11.422 1.00 3.22 C ATOM 1669 O THR A 116 124.576 -0.102 -12.442 1.00 3.40 O ATOM 1670 CB THR A 116 127.346 -1.153 -10.483 1.00 3.70 C ATOM 1671 OG1 THR A 116 128.653 -0.716 -10.137 1.00 3.92 O ATOM 1672 CG2 THR A 116 127.442 -2.341 -11.443 1.00 4.09 C ATOM 0 H THR A 116 126.211 0.976 -9.304 1.00 3.21 H new ATOM 0 HA THR A 116 127.100 0.238 -12.091 1.00 3.48 H new ATOM 0 HB THR A 116 126.813 -1.458 -9.582 1.00 3.70 H new ATOM 0 HG1 THR A 116 129.138 -1.448 -9.702 1.00 3.92 H new ATOM 0 HG21 THR A 116 127.981 -3.156 -10.960 1.00 4.09 H new ATOM 0 HG22 THR A 116 126.439 -2.676 -11.709 1.00 4.09 H new ATOM 0 HG23 THR A 116 127.974 -2.038 -12.345 1.00 4.09 H new ATOM 1680 N VAL A 117 124.555 -1.078 -10.480 1.00 2.90 N ATOM 1681 CA VAL A 117 123.133 -1.452 -10.640 1.00 2.76 C ATOM 1682 C VAL A 117 122.358 -0.140 -10.682 1.00 2.58 C ATOM 1683 O VAL A 117 121.168 -0.098 -10.918 1.00 2.69 O ATOM 1684 CB VAL A 117 122.698 -2.280 -9.434 1.00 2.47 C ATOM 1685 CG1 VAL A 117 121.173 -2.422 -9.419 1.00 2.42 C ATOM 1686 CG2 VAL A 117 123.342 -3.666 -9.512 1.00 2.90 C ATOM 0 H VAL A 117 124.988 -1.373 -9.605 1.00 2.90 H new ATOM 0 HA VAL A 117 122.959 -2.042 -11.540 1.00 2.76 H new ATOM 0 HB VAL A 117 123.017 -1.779 -8.520 1.00 2.47 H new ATOM 0 HG11 VAL A 117 120.871 -3.014 -8.555 1.00 2.42 H new ATOM 0 HG12 VAL A 117 120.716 -1.434 -9.359 1.00 2.42 H new ATOM 0 HG13 VAL A 117 120.845 -2.919 -10.332 1.00 2.42 H new ATOM 0 HG21 VAL A 117 123.033 -4.260 -8.652 1.00 2.90 H new ATOM 0 HG22 VAL A 117 123.025 -4.163 -10.429 1.00 2.90 H new ATOM 0 HG23 VAL A 117 124.427 -3.564 -9.511 1.00 2.90 H new ATOM 1696 N THR A 118 123.073 0.935 -10.446 1.00 2.52 N ATOM 1697 CA THR A 118 122.485 2.302 -10.448 1.00 2.61 C ATOM 1698 C THR A 118 121.068 2.284 -9.876 1.00 2.56 C ATOM 1699 O THR A 118 120.114 2.674 -10.519 1.00 2.90 O ATOM 1700 CB THR A 118 122.502 2.871 -11.871 1.00 3.07 C ATOM 1701 OG1 THR A 118 121.832 4.123 -11.886 1.00 3.29 O ATOM 1702 CG2 THR A 118 121.817 1.913 -12.850 1.00 3.36 C ATOM 0 H THR A 118 124.073 0.914 -10.246 1.00 2.52 H new ATOM 0 HA THR A 118 123.087 2.948 -9.809 1.00 2.61 H new ATOM 0 HB THR A 118 123.539 2.999 -12.182 1.00 3.07 H new ATOM 0 HG1 THR A 118 120.914 4.007 -11.563 1.00 3.29 H new ATOM 0 HG21 THR A 118 121.842 2.339 -13.853 1.00 3.36 H new ATOM 0 HG22 THR A 118 122.340 0.956 -12.849 1.00 3.36 H new ATOM 0 HG23 THR A 118 120.781 1.761 -12.546 1.00 3.36 H new ATOM 1710 N SER A 119 120.937 1.845 -8.655 1.00 2.30 N ATOM 1711 CA SER A 119 119.599 1.803 -8.006 1.00 2.48 C ATOM 1712 C SER A 119 118.776 0.658 -8.601 1.00 2.56 C ATOM 1713 O SER A 119 118.201 -0.094 -7.831 1.00 2.75 O ATOM 1714 CB SER A 119 118.877 3.137 -8.236 1.00 3.01 C ATOM 1715 OG SER A 119 118.061 3.040 -9.396 1.00 3.39 O ATOM 1716 OXT SER A 119 118.734 0.553 -9.816 1.00 2.94 O ATOM 0 H SER A 119 121.707 1.511 -8.075 1.00 2.30 H new ATOM 0 HA SER A 119 119.719 1.639 -6.935 1.00 2.48 H new ATOM 0 HB2 SER A 119 118.266 3.387 -7.368 1.00 3.01 H new ATOM 0 HB3 SER A 119 119.604 3.940 -8.356 1.00 3.01 H new ATOM 0 HG SER A 119 118.518 2.498 -10.073 1.00 3.39 H new TER 1722 SER A 119 ATOM 1723 N MET B 1 123.726 14.219 -9.845 1.00 6.36 N ATOM 1724 CA MET B 1 124.027 15.670 -9.693 1.00 6.04 C ATOM 1725 C MET B 1 122.877 16.356 -8.953 1.00 5.46 C ATOM 1726 O MET B 1 123.032 17.427 -8.401 1.00 5.64 O ATOM 1727 CB MET B 1 124.192 16.305 -11.076 1.00 6.48 C ATOM 1728 CG MET B 1 124.525 17.790 -10.920 1.00 6.99 C ATOM 1729 SD MET B 1 125.052 18.463 -12.516 1.00 7.68 S ATOM 1730 CE MET B 1 125.381 20.151 -11.953 1.00 8.49 C ATOM 0 H1 MET B 1 124.581 13.718 -10.160 1.00 6.36 H new ATOM 0 H2 MET B 1 123.414 13.832 -8.932 1.00 6.36 H new ATOM 0 H3 MET B 1 122.972 14.093 -10.550 1.00 6.36 H new ATOM 0 HA MET B 1 124.949 15.791 -9.124 1.00 6.04 H new ATOM 0 HB2 MET B 1 124.985 15.800 -11.627 1.00 6.48 H new ATOM 0 HB3 MET B 1 123.276 16.186 -11.654 1.00 6.48 H new ATOM 0 HG2 MET B 1 123.653 18.333 -10.555 1.00 6.99 H new ATOM 0 HG3 MET B 1 125.315 17.921 -10.180 1.00 6.99 H new ATOM 0 HE1 MET B 1 125.725 20.754 -12.793 1.00 8.49 H new ATOM 0 HE2 MET B 1 124.467 20.583 -11.546 1.00 8.49 H new ATOM 0 HE3 MET B 1 126.150 20.134 -11.180 1.00 8.49 H new ATOM 1742 N ALA B 2 121.721 15.749 -8.940 1.00 5.16 N ATOM 1743 CA ALA B 2 120.561 16.369 -8.239 1.00 4.97 C ATOM 1744 C ALA B 2 120.662 16.103 -6.736 1.00 4.52 C ATOM 1745 O ALA B 2 121.185 15.094 -6.305 1.00 4.69 O ATOM 1746 CB ALA B 2 119.260 15.767 -8.774 1.00 5.53 C ATOM 0 H ALA B 2 121.530 14.851 -9.384 1.00 5.16 H new ATOM 0 HA ALA B 2 120.568 17.444 -8.417 1.00 4.97 H new ATOM 0 HB1 ALA B 2 118.412 16.220 -8.261 1.00 5.53 H new ATOM 0 HB2 ALA B 2 119.183 15.960 -9.844 1.00 5.53 H new ATOM 0 HB3 ALA B 2 119.258 14.691 -8.598 1.00 5.53 H new ATOM 1752 N SER B 3 120.161 17.002 -5.934 1.00 4.40 N ATOM 1753 CA SER B 3 120.220 16.809 -4.458 1.00 4.40 C ATOM 1754 C SER B 3 119.379 17.891 -3.778 1.00 3.85 C ATOM 1755 O SER B 3 119.170 17.873 -2.582 1.00 3.91 O ATOM 1756 CB SER B 3 121.669 16.915 -3.985 1.00 5.06 C ATOM 1757 OG SER B 3 122.247 18.105 -4.505 1.00 5.43 O ATOM 0 H SER B 3 119.712 17.865 -6.239 1.00 4.40 H new ATOM 0 HA SER B 3 119.830 15.824 -4.201 1.00 4.40 H new ATOM 0 HB2 SER B 3 121.708 16.924 -2.896 1.00 5.06 H new ATOM 0 HB3 SER B 3 122.237 16.046 -4.317 1.00 5.06 H new ATOM 0 HG SER B 3 123.176 18.177 -4.202 1.00 5.43 H new ATOM 1763 N LYS B 4 118.894 18.835 -4.540 1.00 3.85 N ATOM 1764 CA LYS B 4 118.065 19.924 -3.956 1.00 3.83 C ATOM 1765 C LYS B 4 116.596 19.480 -3.746 1.00 3.53 C ATOM 1766 O LYS B 4 115.972 19.938 -2.810 1.00 3.55 O ATOM 1767 CB LYS B 4 118.102 21.149 -4.885 1.00 4.32 C ATOM 1768 CG LYS B 4 117.712 22.413 -4.108 1.00 4.99 C ATOM 1769 CD LYS B 4 117.963 23.650 -4.978 1.00 5.68 C ATOM 1770 CE LYS B 4 117.161 23.548 -6.280 1.00 6.49 C ATOM 1771 NZ LYS B 4 116.979 24.909 -6.857 1.00 6.87 N ATOM 0 H LYS B 4 119.039 18.897 -5.548 1.00 3.85 H new ATOM 0 HA LYS B 4 118.481 20.175 -2.980 1.00 3.83 H new ATOM 0 HB2 LYS B 4 119.101 21.265 -5.306 1.00 4.32 H new ATOM 0 HB3 LYS B 4 117.419 21.002 -5.721 1.00 4.32 H new ATOM 0 HG2 LYS B 4 116.662 22.365 -3.820 1.00 4.99 H new ATOM 0 HG3 LYS B 4 118.292 22.480 -3.188 1.00 4.99 H new ATOM 0 HD2 LYS B 4 117.677 24.551 -4.435 1.00 5.68 H new ATOM 0 HD3 LYS B 4 119.026 23.737 -5.202 1.00 5.68 H new ATOM 0 HE2 LYS B 4 117.681 22.906 -6.991 1.00 6.49 H new ATOM 0 HE3 LYS B 4 116.191 23.090 -6.088 1.00 6.49 H new ATOM 0 HZ1 LYS B 4 116.435 24.841 -7.741 1.00 6.87 H new ATOM 0 HZ2 LYS B 4 116.466 25.508 -6.179 1.00 6.87 H new ATOM 0 HZ3 LYS B 4 117.909 25.330 -7.055 1.00 6.87 H new ATOM 1785 N PRO B 5 116.056 18.627 -4.607 1.00 3.77 N ATOM 1786 CA PRO B 5 114.652 18.195 -4.457 1.00 3.94 C ATOM 1787 C PRO B 5 114.486 17.389 -3.160 1.00 3.23 C ATOM 1788 O PRO B 5 115.372 17.341 -2.330 1.00 3.53 O ATOM 1789 CB PRO B 5 114.361 17.333 -5.711 1.00 4.81 C ATOM 1790 CG PRO B 5 115.642 17.355 -6.593 1.00 5.16 C ATOM 1791 CD PRO B 5 116.757 18.031 -5.767 1.00 4.43 C ATOM 0 HA PRO B 5 113.957 19.032 -4.386 1.00 3.94 H new ATOM 0 HB2 PRO B 5 114.108 16.312 -5.425 1.00 4.81 H new ATOM 0 HB3 PRO B 5 113.508 17.730 -6.261 1.00 4.81 H new ATOM 0 HG2 PRO B 5 115.932 16.343 -6.874 1.00 5.16 H new ATOM 0 HG3 PRO B 5 115.462 17.904 -7.518 1.00 5.16 H new ATOM 0 HD2 PRO B 5 117.507 17.308 -5.448 1.00 4.43 H new ATOM 0 HD3 PRO B 5 117.276 18.792 -6.350 1.00 4.43 H new ATOM 1799 N GLU B 6 113.355 16.762 -2.980 1.00 2.80 N ATOM 1800 CA GLU B 6 113.131 15.968 -1.738 1.00 2.51 C ATOM 1801 C GLU B 6 113.868 14.630 -1.839 1.00 1.85 C ATOM 1802 O GLU B 6 113.403 13.618 -1.353 1.00 2.47 O ATOM 1803 CB GLU B 6 111.633 15.713 -1.559 1.00 3.21 C ATOM 1804 CG GLU B 6 111.075 15.043 -2.817 1.00 4.08 C ATOM 1805 CD GLU B 6 109.574 14.801 -2.645 1.00 4.34 C ATOM 1806 OE1 GLU B 6 108.863 15.763 -2.408 1.00 4.54 O ATOM 1807 OE2 GLU B 6 109.162 13.658 -2.755 1.00 4.78 O ATOM 0 H GLU B 6 112.577 16.765 -3.639 1.00 2.80 H new ATOM 0 HA GLU B 6 113.512 16.525 -0.882 1.00 2.51 H new ATOM 0 HB2 GLU B 6 111.463 15.078 -0.690 1.00 3.21 H new ATOM 0 HB3 GLU B 6 111.113 16.653 -1.374 1.00 3.21 H new ATOM 0 HG2 GLU B 6 111.255 15.674 -3.688 1.00 4.08 H new ATOM 0 HG3 GLU B 6 111.588 14.098 -2.996 1.00 4.08 H new ATOM 1814 N LYS B 7 115.014 14.618 -2.464 1.00 1.12 N ATOM 1815 CA LYS B 7 115.787 13.347 -2.597 1.00 0.78 C ATOM 1816 C LYS B 7 114.851 12.211 -3.022 1.00 0.62 C ATOM 1817 O LYS B 7 114.312 12.214 -4.110 1.00 0.97 O ATOM 1818 CB LYS B 7 116.434 13.002 -1.253 1.00 1.25 C ATOM 1819 CG LYS B 7 117.361 14.141 -0.825 1.00 1.74 C ATOM 1820 CD LYS B 7 117.962 13.823 0.546 1.00 2.62 C ATOM 1821 CE LYS B 7 118.691 15.056 1.082 1.00 3.29 C ATOM 1822 NZ LYS B 7 119.326 14.729 2.390 1.00 4.09 N ATOM 0 H LYS B 7 115.451 15.436 -2.890 1.00 1.12 H new ATOM 0 HA LYS B 7 116.561 13.474 -3.353 1.00 0.78 H new ATOM 0 HB2 LYS B 7 115.665 12.842 -0.498 1.00 1.25 H new ATOM 0 HB3 LYS B 7 116.997 12.073 -1.337 1.00 1.25 H new ATOM 0 HG2 LYS B 7 118.155 14.273 -1.560 1.00 1.74 H new ATOM 0 HG3 LYS B 7 116.807 15.079 -0.782 1.00 1.74 H new ATOM 0 HD2 LYS B 7 117.176 13.523 1.239 1.00 2.62 H new ATOM 0 HD3 LYS B 7 118.654 12.985 0.466 1.00 2.62 H new ATOM 0 HE2 LYS B 7 119.449 15.382 0.369 1.00 3.29 H new ATOM 0 HE3 LYS B 7 117.990 15.882 1.202 1.00 3.29 H new ATOM 0 HZ1 LYS B 7 119.822 15.567 2.754 1.00 4.09 H new ATOM 0 HZ2 LYS B 7 118.593 14.438 3.068 1.00 4.09 H new ATOM 0 HZ3 LYS B 7 120.007 13.953 2.261 1.00 4.09 H new ATOM 1836 N ARG B 8 114.653 11.237 -2.170 1.00 0.48 N ATOM 1837 CA ARG B 8 113.752 10.101 -2.521 1.00 0.50 C ATOM 1838 C ARG B 8 112.334 10.426 -2.055 1.00 0.48 C ATOM 1839 O ARG B 8 112.118 11.363 -1.312 1.00 0.96 O ATOM 1840 CB ARG B 8 114.256 8.828 -1.824 1.00 0.67 C ATOM 1841 CG ARG B 8 115.787 8.783 -1.902 1.00 0.80 C ATOM 1842 CD ARG B 8 116.288 7.357 -1.652 1.00 1.18 C ATOM 1843 NE ARG B 8 117.733 7.387 -1.251 1.00 1.76 N ATOM 1844 CZ ARG B 8 118.636 7.980 -1.988 1.00 2.26 C ATOM 1845 NH1 ARG B 8 118.343 8.399 -3.188 1.00 3.04 N ATOM 1846 NH2 ARG B 8 119.858 8.099 -1.542 1.00 2.64 N ATOM 0 H ARG B 8 115.078 11.181 -1.245 1.00 0.48 H new ATOM 0 HA ARG B 8 113.748 9.943 -3.599 1.00 0.50 H new ATOM 0 HB2 ARG B 8 113.932 8.816 -0.783 1.00 0.67 H new ATOM 0 HB3 ARG B 8 113.830 7.945 -2.300 1.00 0.67 H new ATOM 0 HG2 ARG B 8 116.119 9.126 -2.882 1.00 0.80 H new ATOM 0 HG3 ARG B 8 116.216 9.461 -1.165 1.00 0.80 H new ATOM 0 HD2 ARG B 8 115.694 6.885 -0.869 1.00 1.18 H new ATOM 0 HD3 ARG B 8 116.164 6.755 -2.552 1.00 1.18 H new ATOM 0 HE ARG B 8 118.018 6.934 -0.383 1.00 1.76 H new ATOM 0 HH11 ARG B 8 117.402 8.265 -3.559 1.00 3.04 H new ATOM 0 HH12 ARG B 8 119.054 8.860 -3.755 1.00 3.04 H new ATOM 0 HH21 ARG B 8 120.104 7.730 -0.623 1.00 2.64 H new ATOM 0 HH22 ARG B 8 120.566 8.561 -2.113 1.00 2.64 H new ATOM 1860 N VAL B 9 111.364 9.663 -2.478 1.00 0.42 N ATOM 1861 CA VAL B 9 109.964 9.937 -2.046 1.00 0.36 C ATOM 1862 C VAL B 9 109.951 10.119 -0.524 1.00 0.28 C ATOM 1863 O VAL B 9 110.857 9.699 0.168 1.00 0.38 O ATOM 1864 CB VAL B 9 109.066 8.758 -2.471 1.00 0.45 C ATOM 1865 CG1 VAL B 9 107.814 8.664 -1.583 1.00 0.67 C ATOM 1866 CG2 VAL B 9 108.631 8.945 -3.929 1.00 0.66 C ATOM 0 H VAL B 9 111.479 8.864 -3.102 1.00 0.42 H new ATOM 0 HA VAL B 9 109.583 10.845 -2.514 1.00 0.36 H new ATOM 0 HB VAL B 9 109.640 7.838 -2.362 1.00 0.45 H new ATOM 0 HG11 VAL B 9 107.200 7.823 -1.907 1.00 0.67 H new ATOM 0 HG12 VAL B 9 108.114 8.516 -0.546 1.00 0.67 H new ATOM 0 HG13 VAL B 9 107.239 9.586 -1.666 1.00 0.67 H new ATOM 0 HG21 VAL B 9 107.996 8.111 -4.229 1.00 0.66 H new ATOM 0 HG22 VAL B 9 108.075 9.878 -4.026 1.00 0.66 H new ATOM 0 HG23 VAL B 9 109.512 8.979 -4.570 1.00 0.66 H new ATOM 1876 N ALA B 10 108.933 10.753 -0.009 1.00 0.27 N ATOM 1877 CA ALA B 10 108.840 10.992 1.468 1.00 0.35 C ATOM 1878 C ALA B 10 107.625 10.257 2.027 1.00 0.26 C ATOM 1879 O ALA B 10 106.642 10.051 1.343 1.00 0.40 O ATOM 1880 CB ALA B 10 108.682 12.492 1.727 1.00 0.58 C ATOM 0 H ALA B 10 108.151 11.121 -0.551 1.00 0.27 H new ATOM 0 HA ALA B 10 109.744 10.626 1.954 1.00 0.35 H new ATOM 0 HB1 ALA B 10 108.614 12.671 2.800 1.00 0.58 H new ATOM 0 HB2 ALA B 10 109.544 13.024 1.325 1.00 0.58 H new ATOM 0 HB3 ALA B 10 107.775 12.852 1.241 1.00 0.58 H new ATOM 1886 N SER B 11 107.684 9.855 3.267 1.00 0.23 N ATOM 1887 CA SER B 11 106.530 9.128 3.869 1.00 0.22 C ATOM 1888 C SER B 11 106.513 9.343 5.383 1.00 0.23 C ATOM 1889 O SER B 11 107.539 9.346 6.035 1.00 0.30 O ATOM 1890 CB SER B 11 106.664 7.641 3.556 1.00 0.36 C ATOM 1891 OG SER B 11 106.460 7.447 2.165 1.00 1.19 O ATOM 0 H SER B 11 108.480 9.998 3.889 1.00 0.23 H new ATOM 0 HA SER B 11 105.598 9.508 3.451 1.00 0.22 H new ATOM 0 HB2 SER B 11 107.651 7.281 3.847 1.00 0.36 H new ATOM 0 HB3 SER B 11 105.935 7.068 4.128 1.00 0.36 H new ATOM 0 HG SER B 11 106.383 8.317 1.721 1.00 1.19 H new ATOM 1897 N SER B 12 105.350 9.528 5.950 1.00 0.27 N ATOM 1898 CA SER B 12 105.257 9.751 7.423 1.00 0.35 C ATOM 1899 C SER B 12 103.939 9.176 7.946 1.00 0.31 C ATOM 1900 O SER B 12 102.870 9.667 7.643 1.00 0.41 O ATOM 1901 CB SER B 12 105.308 11.251 7.711 1.00 0.52 C ATOM 1902 OG SER B 12 104.056 11.835 7.376 1.00 1.38 O ATOM 0 H SER B 12 104.458 9.534 5.455 1.00 0.27 H new ATOM 0 HA SER B 12 106.090 9.254 7.920 1.00 0.35 H new ATOM 0 HB2 SER B 12 105.533 11.424 8.763 1.00 0.52 H new ATOM 0 HB3 SER B 12 106.106 11.717 7.133 1.00 0.52 H new ATOM 0 HG SER B 12 103.499 11.173 6.916 1.00 1.38 H new ATOM 1908 N VAL B 13 104.012 8.139 8.734 1.00 0.27 N ATOM 1909 CA VAL B 13 102.776 7.521 9.290 1.00 0.27 C ATOM 1910 C VAL B 13 103.131 6.808 10.594 1.00 0.32 C ATOM 1911 O VAL B 13 104.298 6.616 10.906 1.00 0.41 O ATOM 1912 CB VAL B 13 102.211 6.517 8.279 1.00 0.32 C ATOM 1913 CG1 VAL B 13 103.330 5.587 7.801 1.00 0.42 C ATOM 1914 CG2 VAL B 13 101.097 5.687 8.929 1.00 0.41 C ATOM 0 H VAL B 13 104.882 7.690 9.019 1.00 0.27 H new ATOM 0 HA VAL B 13 102.025 8.287 9.484 1.00 0.27 H new ATOM 0 HB VAL B 13 101.800 7.061 7.429 1.00 0.32 H new ATOM 0 HG11 VAL B 13 102.928 4.873 7.082 1.00 0.42 H new ATOM 0 HG12 VAL B 13 104.115 6.176 7.327 1.00 0.42 H new ATOM 0 HG13 VAL B 13 103.745 5.049 8.653 1.00 0.42 H new ATOM 0 HG21 VAL B 13 100.702 4.977 8.203 1.00 0.41 H new ATOM 0 HG22 VAL B 13 101.499 5.145 9.785 1.00 0.41 H new ATOM 0 HG23 VAL B 13 100.297 6.349 9.262 1.00 0.41 H new ATOM 1924 N PHE B 14 102.146 6.415 11.362 1.00 0.36 N ATOM 1925 CA PHE B 14 102.457 5.718 12.639 1.00 0.45 C ATOM 1926 C PHE B 14 101.192 5.257 13.365 1.00 0.34 C ATOM 1927 O PHE B 14 100.104 5.251 12.825 1.00 0.35 O ATOM 1928 CB PHE B 14 103.215 6.659 13.562 1.00 0.59 C ATOM 1929 CG PHE B 14 102.311 7.768 14.062 1.00 0.71 C ATOM 1930 CD1 PHE B 14 101.835 8.737 13.171 1.00 0.70 C ATOM 1931 CD2 PHE B 14 101.960 7.832 15.418 1.00 1.40 C ATOM 1932 CE1 PHE B 14 101.008 9.766 13.633 1.00 1.03 C ATOM 1933 CE2 PHE B 14 101.134 8.863 15.879 1.00 1.79 C ATOM 1934 CZ PHE B 14 100.657 9.830 14.987 1.00 1.54 C ATOM 0 H PHE B 14 101.155 6.546 11.161 1.00 0.36 H new ATOM 0 HA PHE B 14 103.056 4.842 12.390 1.00 0.45 H new ATOM 0 HB2 PHE B 14 103.615 6.101 14.408 1.00 0.59 H new ATOM 0 HB3 PHE B 14 104.065 7.088 13.032 1.00 0.59 H new ATOM 0 HD1 PHE B 14 102.106 8.690 12.127 1.00 0.70 H new ATOM 0 HD2 PHE B 14 102.327 7.085 16.107 1.00 1.40 H new ATOM 0 HE1 PHE B 14 100.640 10.512 12.945 1.00 1.03 H new ATOM 0 HE2 PHE B 14 100.864 8.913 16.924 1.00 1.79 H new ATOM 0 HZ PHE B 14 100.019 10.625 15.343 1.00 1.54 H new ATOM 1944 N ILE B 15 101.355 4.871 14.612 1.00 0.34 N ATOM 1945 CA ILE B 15 100.210 4.403 15.431 1.00 0.33 C ATOM 1946 C ILE B 15 100.406 4.881 16.880 1.00 0.31 C ATOM 1947 O ILE B 15 101.519 4.967 17.372 1.00 0.58 O ATOM 1948 CB ILE B 15 100.159 2.871 15.406 1.00 0.51 C ATOM 1949 CG1 ILE B 15 101.580 2.278 15.622 1.00 0.62 C ATOM 1950 CG2 ILE B 15 99.560 2.395 14.076 1.00 0.83 C ATOM 1951 CD1 ILE B 15 102.314 2.048 14.289 1.00 1.25 C ATOM 0 H ILE B 15 102.253 4.864 15.096 1.00 0.34 H new ATOM 0 HA ILE B 15 99.279 4.804 15.030 1.00 0.33 H new ATOM 0 HB ILE B 15 99.523 2.520 16.219 1.00 0.51 H new ATOM 0 HG12 ILE B 15 102.164 2.954 16.246 1.00 0.62 H new ATOM 0 HG13 ILE B 15 101.501 1.334 16.161 1.00 0.62 H new ATOM 0 HG21 ILE B 15 99.525 1.306 14.062 1.00 0.83 H new ATOM 0 HG22 ILE B 15 98.550 2.792 13.969 1.00 0.83 H new ATOM 0 HG23 ILE B 15 100.178 2.749 13.251 1.00 0.83 H new ATOM 0 HD11 ILE B 15 103.303 1.633 14.485 1.00 1.25 H new ATOM 0 HD12 ILE B 15 101.743 1.351 13.675 1.00 1.25 H new ATOM 0 HD13 ILE B 15 102.417 2.996 13.762 1.00 1.25 H new ATOM 1963 N THR B 16 99.331 5.188 17.566 1.00 0.35 N ATOM 1964 CA THR B 16 99.431 5.660 18.987 1.00 0.47 C ATOM 1965 C THR B 16 98.813 4.609 19.914 1.00 0.31 C ATOM 1966 O THR B 16 97.695 4.175 19.715 1.00 0.35 O ATOM 1967 CB THR B 16 98.665 6.978 19.138 1.00 0.75 C ATOM 1968 OG1 THR B 16 99.147 7.917 18.188 1.00 1.61 O ATOM 1969 CG2 THR B 16 98.866 7.530 20.550 1.00 1.40 C ATOM 0 H THR B 16 98.380 5.132 17.201 1.00 0.35 H new ATOM 0 HA THR B 16 100.478 5.811 19.249 1.00 0.47 H new ATOM 0 HB THR B 16 97.603 6.801 18.968 1.00 0.75 H new ATOM 0 HG1 THR B 16 98.656 8.760 18.283 1.00 1.61 H new ATOM 0 HG21 THR B 16 98.320 8.468 20.655 1.00 1.40 H new ATOM 0 HG22 THR B 16 98.494 6.810 21.279 1.00 1.40 H new ATOM 0 HG23 THR B 16 99.927 7.707 20.724 1.00 1.40 H new ATOM 1977 N LEU B 17 99.530 4.196 20.930 1.00 0.39 N ATOM 1978 CA LEU B 17 98.984 3.171 21.875 1.00 0.44 C ATOM 1979 C LEU B 17 98.417 3.867 23.114 1.00 0.31 C ATOM 1980 O LEU B 17 98.961 4.841 23.595 1.00 0.54 O ATOM 1981 CB LEU B 17 100.105 2.220 22.303 1.00 0.72 C ATOM 1982 CG LEU B 17 100.891 1.747 21.075 1.00 0.83 C ATOM 1983 CD1 LEU B 17 101.866 0.639 21.491 1.00 1.06 C ATOM 1984 CD2 LEU B 17 99.922 1.203 20.016 1.00 1.32 C ATOM 0 H LEU B 17 100.471 4.524 21.147 1.00 0.39 H new ATOM 0 HA LEU B 17 98.195 2.608 21.377 1.00 0.44 H new ATOM 0 HB2 LEU B 17 100.774 2.724 23.001 1.00 0.72 H new ATOM 0 HB3 LEU B 17 99.684 1.362 22.828 1.00 0.72 H new ATOM 0 HG LEU B 17 101.446 2.587 20.657 1.00 0.83 H new ATOM 0 HD11 LEU B 17 102.426 0.301 20.619 1.00 1.06 H new ATOM 0 HD12 LEU B 17 102.558 1.025 22.239 1.00 1.06 H new ATOM 0 HD13 LEU B 17 101.308 -0.198 21.911 1.00 1.06 H new ATOM 0 HD21 LEU B 17 100.485 0.868 19.145 1.00 1.32 H new ATOM 0 HD22 LEU B 17 99.363 0.364 20.431 1.00 1.32 H new ATOM 0 HD23 LEU B 17 99.229 1.990 19.719 1.00 1.32 H new ATOM 1996 N ALA B 18 97.329 3.370 23.639 1.00 0.52 N ATOM 1997 CA ALA B 18 96.728 3.996 24.851 1.00 0.66 C ATOM 1998 C ALA B 18 95.591 3.107 25.378 1.00 0.98 C ATOM 1999 O ALA B 18 94.442 3.500 25.329 1.00 1.45 O ATOM 2000 CB ALA B 18 96.163 5.371 24.486 1.00 0.88 C ATOM 0 H ALA B 18 96.830 2.556 23.280 1.00 0.52 H new ATOM 0 HA ALA B 18 97.493 4.105 25.619 1.00 0.66 H new ATOM 0 HB1 ALA B 18 95.723 5.830 25.371 1.00 0.88 H new ATOM 0 HB2 ALA B 18 96.965 6.005 24.109 1.00 0.88 H new ATOM 0 HB3 ALA B 18 95.398 5.258 23.718 1.00 0.88 H new ATOM 2006 N PRO B 19 95.932 1.931 25.866 1.00 0.94 N ATOM 2007 CA PRO B 19 94.920 0.996 26.394 1.00 1.27 C ATOM 2008 C PRO B 19 94.261 1.612 27.656 1.00 1.36 C ATOM 2009 O PRO B 19 94.951 2.222 28.448 1.00 1.39 O ATOM 2010 CB PRO B 19 95.716 -0.286 26.749 1.00 1.43 C ATOM 2011 CG PRO B 19 97.226 0.017 26.510 1.00 1.50 C ATOM 2012 CD PRO B 19 97.328 1.444 25.927 1.00 1.03 C ATOM 0 HA PRO B 19 94.119 0.785 25.686 1.00 1.27 H new ATOM 0 HB2 PRO B 19 95.542 -0.570 27.787 1.00 1.43 H new ATOM 0 HB3 PRO B 19 95.391 -1.123 26.131 1.00 1.43 H new ATOM 0 HG2 PRO B 19 97.784 -0.056 27.444 1.00 1.50 H new ATOM 0 HG3 PRO B 19 97.658 -0.710 25.822 1.00 1.50 H new ATOM 0 HD2 PRO B 19 97.943 2.086 26.558 1.00 1.03 H new ATOM 0 HD3 PRO B 19 97.787 1.435 24.938 1.00 1.03 H new ATOM 2020 N PRO B 20 92.959 1.440 27.832 1.00 1.82 N ATOM 2021 CA PRO B 20 92.275 1.991 29.021 1.00 2.19 C ATOM 2022 C PRO B 20 92.848 1.346 30.294 1.00 2.03 C ATOM 2023 O PRO B 20 92.973 1.981 31.322 1.00 2.30 O ATOM 2024 CB PRO B 20 90.784 1.621 28.830 1.00 2.76 C ATOM 2025 CG PRO B 20 90.695 0.687 27.590 1.00 2.86 C ATOM 2026 CD PRO B 20 92.074 0.707 26.898 1.00 2.30 C ATOM 0 HA PRO B 20 92.408 3.068 29.125 1.00 2.19 H new ATOM 0 HB2 PRO B 20 90.396 1.120 29.717 1.00 2.76 H new ATOM 0 HB3 PRO B 20 90.182 2.517 28.680 1.00 2.76 H new ATOM 0 HG2 PRO B 20 90.431 -0.327 27.891 1.00 2.86 H new ATOM 0 HG3 PRO B 20 89.918 1.029 26.907 1.00 2.86 H new ATOM 0 HD2 PRO B 20 92.440 -0.304 26.718 1.00 2.30 H new ATOM 0 HD3 PRO B 20 92.023 1.205 25.930 1.00 2.30 H new ATOM 2034 N ARG B 21 93.186 0.086 30.226 1.00 2.36 N ATOM 2035 CA ARG B 21 93.740 -0.611 31.422 1.00 2.57 C ATOM 2036 C ARG B 21 94.969 0.140 31.944 1.00 2.31 C ATOM 2037 O ARG B 21 95.215 1.275 31.589 1.00 2.48 O ATOM 2038 CB ARG B 21 94.146 -2.035 31.035 1.00 3.03 C ATOM 2039 CG ARG B 21 92.930 -2.786 30.487 1.00 3.84 C ATOM 2040 CD ARG B 21 93.392 -4.075 29.803 1.00 4.42 C ATOM 2041 NE ARG B 21 94.050 -4.961 30.803 1.00 4.90 N ATOM 2042 CZ ARG B 21 94.251 -6.221 30.528 1.00 5.50 C ATOM 2043 NH1 ARG B 21 93.868 -6.708 29.379 1.00 5.76 N ATOM 2044 NH2 ARG B 21 94.833 -6.995 31.402 1.00 6.12 N ATOM 0 H ARG B 21 93.102 -0.492 29.390 1.00 2.36 H new ATOM 0 HA ARG B 21 92.980 -0.641 32.202 1.00 2.57 H new ATOM 0 HB2 ARG B 21 94.937 -2.007 30.285 1.00 3.03 H new ATOM 0 HB3 ARG B 21 94.548 -2.558 31.903 1.00 3.03 H new ATOM 0 HG2 ARG B 21 92.238 -3.019 31.296 1.00 3.84 H new ATOM 0 HG3 ARG B 21 92.391 -2.158 29.777 1.00 3.84 H new ATOM 0 HD2 ARG B 21 92.540 -4.586 29.354 1.00 4.42 H new ATOM 0 HD3 ARG B 21 94.086 -3.842 28.996 1.00 4.42 H new ATOM 0 HE ARG B 21 94.344 -4.583 31.704 1.00 4.90 H new ATOM 0 HH11 ARG B 21 93.411 -6.104 28.696 1.00 5.76 H new ATOM 0 HH12 ARG B 21 94.025 -7.693 29.165 1.00 5.76 H new ATOM 0 HH21 ARG B 21 95.131 -6.616 32.301 1.00 6.12 H new ATOM 0 HH22 ARG B 21 94.990 -7.980 31.187 1.00 6.12 H new ATOM 2058 N ARG B 22 95.742 -0.490 32.787 1.00 2.49 N ATOM 2059 CA ARG B 22 96.956 0.179 33.336 1.00 2.63 C ATOM 2060 C ARG B 22 96.549 1.509 33.982 1.00 3.03 C ATOM 2061 O ARG B 22 96.486 2.534 33.331 1.00 3.54 O ATOM 2062 CB ARG B 22 97.965 0.418 32.191 1.00 3.15 C ATOM 2063 CG ARG B 22 99.411 0.349 32.711 1.00 3.73 C ATOM 2064 CD ARG B 22 99.707 1.564 33.595 1.00 4.34 C ATOM 2065 NE ARG B 22 99.422 2.813 32.833 1.00 4.97 N ATOM 2066 CZ ARG B 22 99.329 3.954 33.459 1.00 5.65 C ATOM 2067 NH1 ARG B 22 99.482 4.002 34.754 1.00 6.29 N ATOM 2068 NH2 ARG B 22 99.084 5.047 32.790 1.00 5.95 N ATOM 0 H ARG B 22 95.584 -1.441 33.120 1.00 2.49 H new ATOM 0 HA ARG B 22 97.425 -0.451 34.092 1.00 2.63 H new ATOM 0 HB2 ARG B 22 97.819 -0.329 31.410 1.00 3.15 H new ATOM 0 HB3 ARG B 22 97.783 1.393 31.738 1.00 3.15 H new ATOM 0 HG2 ARG B 22 99.559 -0.569 33.279 1.00 3.73 H new ATOM 0 HG3 ARG B 22 100.107 0.320 31.873 1.00 3.73 H new ATOM 0 HD2 ARG B 22 99.096 1.528 34.497 1.00 4.34 H new ATOM 0 HD3 ARG B 22 100.749 1.550 33.914 1.00 4.34 H new ATOM 0 HE ARG B 22 99.300 2.776 31.821 1.00 4.97 H new ATOM 0 HH11 ARG B 22 99.674 3.148 35.277 1.00 6.29 H new ATOM 0 HH12 ARG B 22 99.409 4.894 35.243 1.00 6.29 H new ATOM 0 HH21 ARG B 22 98.965 5.009 31.778 1.00 5.95 H new ATOM 0 HH22 ARG B 22 99.011 5.939 33.279 1.00 5.95 H new ATOM 2082 N ASP B 23 96.272 1.497 35.259 1.00 3.45 N ATOM 2083 CA ASP B 23 95.869 2.755 35.950 1.00 4.32 C ATOM 2084 C ASP B 23 96.137 2.620 37.452 1.00 4.48 C ATOM 2085 O ASP B 23 96.114 3.589 38.185 1.00 4.75 O ATOM 2086 CB ASP B 23 94.376 3.005 35.722 1.00 5.13 C ATOM 2087 CG ASP B 23 94.069 2.956 34.224 1.00 5.30 C ATOM 2088 OD1 ASP B 23 94.329 3.941 33.553 1.00 5.51 O ATOM 2089 OD2 ASP B 23 93.580 1.933 33.774 1.00 5.62 O ATOM 0 H ASP B 23 96.308 0.669 35.853 1.00 3.45 H new ATOM 0 HA ASP B 23 96.445 3.590 35.550 1.00 4.32 H new ATOM 0 HB2 ASP B 23 93.787 2.254 36.249 1.00 5.13 H new ATOM 0 HB3 ASP B 23 94.093 3.976 36.130 1.00 5.13 H new ATOM 2094 N VAL B 24 96.388 1.426 37.916 1.00 4.81 N ATOM 2095 CA VAL B 24 96.653 1.231 39.370 1.00 5.43 C ATOM 2096 C VAL B 24 98.025 1.809 39.723 1.00 5.81 C ATOM 2097 O VAL B 24 99.001 1.365 39.141 1.00 6.21 O ATOM 2098 CB VAL B 24 96.629 -0.263 39.697 1.00 5.94 C ATOM 2099 CG1 VAL B 24 96.630 -0.456 41.215 1.00 6.48 C ATOM 2100 CG2 VAL B 24 95.366 -0.892 39.105 1.00 6.36 C ATOM 2101 OXT VAL B 24 98.076 2.685 40.570 1.00 6.07 O ATOM 0 H VAL B 24 96.421 0.577 37.351 1.00 4.81 H new ATOM 0 HA VAL B 24 95.885 1.742 39.950 1.00 5.43 H new ATOM 0 HB VAL B 24 97.510 -0.742 39.271 1.00 5.94 H new ATOM 0 HG11 VAL B 24 96.613 -1.521 41.446 1.00 6.48 H new ATOM 0 HG12 VAL B 24 97.529 -0.007 41.638 1.00 6.48 H new ATOM 0 HG13 VAL B 24 95.749 0.023 41.643 1.00 6.48 H new ATOM 0 HG21 VAL B 24 95.347 -1.957 39.337 1.00 6.36 H new ATOM 0 HG22 VAL B 24 94.486 -0.412 39.532 1.00 6.36 H new ATOM 0 HG23 VAL B 24 95.364 -0.756 38.024 1.00 6.36 H new TER 2111 VAL B 24