USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 899 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 23 MET CE :methyl -176:sc= -0.989 (180deg=-1.08) USER MOD Set 1.2: A 102 SER OG : rot -54:sc= 1.11 USER MOD Set 2.1: A 95 THR OG1 : rot -94:sc= 2.06 USER MOD Set 2.2: A 128 ASN : amide:sc= 0.695 K(o=2.8,f=1.9) USER MOD Set 3.1: A 34 GLN : amide:sc= 1.03 K(o=1.5,f=-0.21) USER MOD Set 3.2: A 38 ASN : amide:sc= 0.425 K(o=1.5,f=-1.2) USER MOD Set 4.1: A 11 HIS : no HE2:sc= 1.43 K(o=-0.91,f=-13!) USER MOD Set 4.2: A 54 ASN : amide:sc= -0.909 K(o=-0.91,f=-3.3) USER MOD Set 4.3: A 96 GLN : amide:sc= -3.46 K(o=-0.91,f=-3.3!) USER MOD Set 4.4: A 123 TYR OH : rot 180:sc= 2.03 USER MOD Single : A 1 GLN : amide:sc= 0.155 K(o=0.16,f=-3.2!) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.36) USER MOD Single : A 3 SER OG : rot 180:sc= 0.73 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 49:sc= -0.619 USER MOD Single : A 12 ASN : amide:sc= 1.03 K(o=1,f=-0.5) USER MOD Single : A 17 GLN : amide:sc= 1.18 K(o=1.2,f=-0.018) USER MOD Single : A 24 SER OG : rot 61:sc= 0.624 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -46:sc= 1.15 USER MOD Single : A 35 ASN : amide:sc= 0.938 K(o=0.94,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -76:sc= 0.765 USER MOD Single : A 45 ASN : amide:sc= -0.0588 X(o=-0.059,f=-0.068) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -92:sc= 0.113 USER MOD Single : A 69 GLN : amide:sc= -0.0213 K(o=-0.021,f=-1.3) USER MOD Single : A 73 SER OG : rot -37:sc= 0.071 USER MOD Single : A 77 SER OG : rot 95:sc= 1.27 USER MOD Single : A 78 TYR OH : rot 15:sc= 0.42 USER MOD Single : A 79 ASN : amide:sc= -0.016 X(o=-0.016,f=-0.048) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.578 K(o=0.58,f=-2.7!) USER MOD Single : A 84 GLN : amide:sc= 0.446 K(o=0.45,f=-0.19) USER MOD Single : A 93 HIS : no HD1:sc= -0.29 K(o=-0.29,f=-2.2!) USER MOD Single : A 94 TYR OH : rot 86:sc= 1.28 USER MOD Single : A 101 ASN : amide:sc= 0.0268 X(o=0.027,f=0) USER MOD Single : A 120 SER OG : rot -100:sc= 0.413 USER MOD Single : A 122 ASN : amide:sc= -0.0325 K(o=-0.033,f=-2.5!) USER MOD Single : A 132 GLN : amide:sc= -0.063 X(o=-0.063,f=-0.18) USER MOD Single : A 135 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -3.914 10.590 6.310 1.00 2.90 N ATOM 2 CA GLN A 1 -4.469 9.390 5.660 1.00 1.76 C ATOM 3 C GLN A 1 -3.339 8.476 5.182 1.00 1.46 C ATOM 4 O GLN A 1 -3.055 8.397 3.982 1.00 1.40 O ATOM 5 CB GLN A 1 -5.464 9.699 4.541 1.00 1.19 C ATOM 6 CG GLN A 1 -6.735 10.370 5.061 1.00 1.99 C ATOM 7 CD GLN A 1 -7.895 10.274 4.072 1.00 2.82 C ATOM 8 OE1 GLN A 1 -7.735 10.499 2.874 1.00 3.30 O ATOM 9 NE2 GLN A 1 -9.086 9.933 4.537 1.00 4.22 N ATOM 0 H1 GLN A 1 -4.691 11.202 6.630 1.00 2.90 H new ATOM 0 H2 GLN A 1 -3.337 10.307 7.128 1.00 2.90 H new ATOM 0 H3 GLN A 1 -3.321 11.109 5.632 1.00 2.90 H new ATOM 0 HA GLN A 1 -5.052 8.864 6.416 1.00 1.76 H new ATOM 0 HB2 GLN A 1 -4.989 10.348 3.805 1.00 1.19 H new ATOM 0 HB3 GLN A 1 -5.728 8.774 4.028 1.00 1.19 H new ATOM 0 HG2 GLN A 1 -7.027 9.907 6.004 1.00 1.99 H new ATOM 0 HG3 GLN A 1 -6.528 11.419 5.272 1.00 1.99 H new ATOM 0 HE21 GLN A 1 -9.211 9.748 5.532 1.00 4.22 H new ATOM 0 HE22 GLN A 1 -9.879 9.855 3.900 1.00 4.22 H new ATOM 20 N ASN A 2 -2.673 7.805 6.122 1.00 1.63 N ATOM 21 CA ASN A 2 -1.694 6.760 5.831 1.00 1.74 C ATOM 22 C ASN A 2 -1.564 5.798 7.017 1.00 1.70 C ATOM 23 O ASN A 2 -0.473 5.340 7.348 1.00 2.75 O ATOM 24 CB ASN A 2 -0.338 7.341 5.377 1.00 2.61 C ATOM 25 CG ASN A 2 0.476 8.008 6.487 1.00 2.69 C ATOM 26 OD1 ASN A 2 1.245 7.364 7.190 1.00 3.84 O ATOM 27 ND2 ASN A 2 0.385 9.320 6.640 1.00 2.37 N ATOM 0 H ASN A 2 -2.801 7.975 7.120 1.00 1.63 H new ATOM 0 HA ASN A 2 -2.060 6.181 4.983 1.00 1.74 H new ATOM 0 HB2 ASN A 2 0.257 6.539 4.940 1.00 2.61 H new ATOM 0 HB3 ASN A 2 -0.517 8.071 4.588 1.00 2.61 H new ATOM 0 HD21 ASN A 2 0.955 9.792 7.342 1.00 2.37 H new ATOM 0 HD22 ASN A 2 -0.255 9.858 6.056 1.00 2.37 H new ATOM 34 N SER A 3 -2.682 5.465 7.660 1.00 1.09 N ATOM 35 CA SER A 3 -2.706 4.436 8.690 1.00 1.02 C ATOM 36 C SER A 3 -2.682 3.051 8.023 1.00 1.02 C ATOM 37 O SER A 3 -2.678 2.961 6.789 1.00 1.29 O ATOM 38 CB SER A 3 -3.949 4.665 9.559 1.00 1.10 C ATOM 39 OG SER A 3 -5.022 3.832 9.152 1.00 2.85 O ATOM 0 H SER A 3 -3.588 5.899 7.482 1.00 1.09 H new ATOM 0 HA SER A 3 -1.830 4.487 9.337 1.00 1.02 H new ATOM 0 HB2 SER A 3 -3.707 4.466 10.603 1.00 1.10 H new ATOM 0 HB3 SER A 3 -4.253 5.710 9.495 1.00 1.10 H new ATOM 0 HG SER A 3 -5.800 3.998 9.724 1.00 2.85 H new ATOM 45 N PRO A 4 -2.723 1.959 8.798 1.00 0.90 N ATOM 46 CA PRO A 4 -2.926 0.641 8.241 1.00 0.88 C ATOM 47 C PRO A 4 -4.349 0.546 7.695 1.00 0.64 C ATOM 48 O PRO A 4 -4.571 0.128 6.558 1.00 0.62 O ATOM 49 CB PRO A 4 -2.670 -0.326 9.399 1.00 1.04 C ATOM 50 CG PRO A 4 -3.016 0.470 10.650 1.00 1.07 C ATOM 51 CD PRO A 4 -2.682 1.909 10.251 1.00 0.98 C ATOM 0 HA PRO A 4 -2.263 0.410 7.407 1.00 0.88 H new ATOM 0 HB2 PRO A 4 -3.289 -1.219 9.314 1.00 1.04 H new ATOM 0 HB3 PRO A 4 -1.632 -0.658 9.415 1.00 1.04 H new ATOM 0 HG2 PRO A 4 -4.066 0.360 10.920 1.00 1.07 H new ATOM 0 HG3 PRO A 4 -2.430 0.144 11.510 1.00 1.07 H new ATOM 0 HD2 PRO A 4 -3.399 2.607 10.683 1.00 0.98 H new ATOM 0 HD3 PRO A 4 -1.697 2.195 10.621 1.00 0.98 H new ATOM 59 N GLN A 5 -5.328 0.940 8.511 1.00 0.55 N ATOM 60 CA GLN A 5 -6.726 0.873 8.142 1.00 0.47 C ATOM 61 C GLN A 5 -7.059 1.823 6.991 1.00 0.35 C ATOM 62 O GLN A 5 -7.994 1.544 6.254 1.00 0.45 O ATOM 63 CB GLN A 5 -7.636 1.020 9.359 1.00 0.72 C ATOM 64 CG GLN A 5 -8.996 0.362 9.077 1.00 2.51 C ATOM 65 CD GLN A 5 -9.813 0.200 10.348 1.00 3.07 C ATOM 66 OE1 GLN A 5 -9.527 -0.665 11.170 1.00 3.82 O ATOM 67 NE2 GLN A 5 -10.835 1.024 10.533 1.00 3.56 N ATOM 0 H GLN A 5 -5.164 1.314 9.446 1.00 0.55 H new ATOM 0 HA GLN A 5 -6.925 -0.125 7.751 1.00 0.47 H new ATOM 0 HB2 GLN A 5 -7.171 0.557 10.229 1.00 0.72 H new ATOM 0 HB3 GLN A 5 -7.775 2.075 9.595 1.00 0.72 H new ATOM 0 HG2 GLN A 5 -9.552 0.967 8.361 1.00 2.51 H new ATOM 0 HG3 GLN A 5 -8.840 -0.614 8.617 1.00 2.51 H new ATOM 0 HE21 GLN A 5 -11.051 1.734 9.833 1.00 3.56 H new ATOM 0 HE22 GLN A 5 -11.406 0.948 11.375 1.00 3.56 H new ATOM 76 N ASP A 6 -6.308 2.913 6.790 1.00 0.43 N ATOM 77 CA ASP A 6 -6.459 3.724 5.580 1.00 0.58 C ATOM 78 C ASP A 6 -6.306 2.816 4.364 1.00 0.45 C ATOM 79 O ASP A 6 -7.190 2.753 3.508 1.00 0.54 O ATOM 80 CB ASP A 6 -5.397 4.836 5.495 1.00 0.94 C ATOM 81 CG ASP A 6 -5.818 6.140 6.124 1.00 1.25 C ATOM 82 OD1 ASP A 6 -6.627 6.866 5.513 1.00 1.72 O ATOM 83 OD2 ASP A 6 -5.273 6.459 7.201 1.00 2.51 O ATOM 0 H ASP A 6 -5.599 3.249 7.442 1.00 0.43 H new ATOM 0 HA ASP A 6 -7.442 4.194 5.609 1.00 0.58 H new ATOM 0 HB2 ASP A 6 -4.484 4.489 5.980 1.00 0.94 H new ATOM 0 HB3 ASP A 6 -5.154 5.012 4.447 1.00 0.94 H new ATOM 88 N TYR A 7 -5.175 2.110 4.274 1.00 0.38 N ATOM 89 CA TYR A 7 -4.965 1.188 3.175 1.00 0.39 C ATOM 90 C TYR A 7 -6.053 0.120 3.165 1.00 0.40 C ATOM 91 O TYR A 7 -6.714 -0.101 2.146 1.00 0.45 O ATOM 92 CB TYR A 7 -3.583 0.541 3.293 1.00 0.51 C ATOM 93 CG TYR A 7 -2.619 1.000 2.230 1.00 1.19 C ATOM 94 CD1 TYR A 7 -2.121 2.313 2.261 1.00 1.25 C ATOM 95 CD2 TYR A 7 -2.165 0.098 1.253 1.00 3.00 C ATOM 96 CE1 TYR A 7 -1.029 2.656 1.450 1.00 1.60 C ATOM 97 CE2 TYR A 7 -1.155 0.485 0.363 1.00 3.77 C ATOM 98 CZ TYR A 7 -0.516 1.718 0.544 1.00 2.74 C ATOM 99 OH TYR A 7 0.723 1.903 0.031 1.00 3.45 O ATOM 0 H TYR A 7 -4.406 2.163 4.942 1.00 0.38 H new ATOM 0 HA TYR A 7 -5.015 1.740 2.236 1.00 0.39 H new ATOM 0 HB2 TYR A 7 -3.166 0.767 4.274 1.00 0.51 H new ATOM 0 HB3 TYR A 7 -3.690 -0.542 3.234 1.00 0.51 H new ATOM 0 HD1 TYR A 7 -2.575 3.052 2.904 1.00 1.25 H new ATOM 0 HD2 TYR A 7 -2.594 -0.891 1.188 1.00 3.00 H new ATOM 0 HE1 TYR A 7 -0.586 3.638 1.523 1.00 1.60 H new ATOM 0 HE2 TYR A 7 -0.872 -0.161 -0.455 1.00 3.77 H new ATOM 0 HH TYR A 7 1.352 2.098 0.757 1.00 3.45 H new ATOM 109 N LEU A 8 -6.196 -0.580 4.288 1.00 0.39 N ATOM 110 CA LEU A 8 -7.071 -1.734 4.385 1.00 0.38 C ATOM 111 C LEU A 8 -8.512 -1.378 4.029 1.00 0.40 C ATOM 112 O LEU A 8 -9.190 -2.179 3.396 1.00 0.51 O ATOM 113 CB LEU A 8 -6.935 -2.413 5.755 1.00 0.42 C ATOM 114 CG LEU A 8 -5.770 -3.413 5.824 1.00 0.49 C ATOM 115 CD1 LEU A 8 -5.681 -4.041 7.215 1.00 0.78 C ATOM 116 CD2 LEU A 8 -5.887 -4.583 4.842 1.00 0.72 C ATOM 0 H LEU A 8 -5.706 -0.359 5.155 1.00 0.39 H new ATOM 0 HA LEU A 8 -6.755 -2.468 3.643 1.00 0.38 H new ATOM 0 HB2 LEU A 8 -6.795 -1.649 6.519 1.00 0.42 H new ATOM 0 HB3 LEU A 8 -7.865 -2.932 5.990 1.00 0.42 H new ATOM 0 HG LEU A 8 -4.891 -2.820 5.570 1.00 0.49 H new ATOM 0 HD11 LEU A 8 -4.850 -4.746 7.243 1.00 0.78 H new ATOM 0 HD12 LEU A 8 -5.519 -3.259 7.957 1.00 0.78 H new ATOM 0 HD13 LEU A 8 -6.610 -4.566 7.437 1.00 0.78 H new ATOM 0 HD21 LEU A 8 -5.025 -5.241 4.956 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -6.800 -5.142 5.049 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -5.919 -4.200 3.822 1.00 0.72 H new ATOM 128 N ALA A 9 -8.982 -0.184 4.372 1.00 0.35 N ATOM 129 CA ALA A 9 -10.318 0.271 4.031 1.00 0.40 C ATOM 130 C ALA A 9 -10.511 0.220 2.515 1.00 0.40 C ATOM 131 O ALA A 9 -11.430 -0.431 2.015 1.00 0.48 O ATOM 132 CB ALA A 9 -10.545 1.682 4.588 1.00 0.44 C ATOM 0 H ALA A 9 -8.439 0.499 4.900 1.00 0.35 H new ATOM 0 HA ALA A 9 -11.060 -0.387 4.483 1.00 0.40 H new ATOM 0 HB1 ALA A 9 -11.549 2.018 4.329 1.00 0.44 H new ATOM 0 HB2 ALA A 9 -10.436 1.667 5.672 1.00 0.44 H new ATOM 0 HB3 ALA A 9 -9.812 2.365 4.159 1.00 0.44 H new ATOM 138 N VAL A 10 -9.630 0.896 1.773 1.00 0.35 N ATOM 139 CA VAL A 10 -9.721 0.918 0.318 1.00 0.33 C ATOM 140 C VAL A 10 -9.559 -0.502 -0.235 1.00 0.36 C ATOM 141 O VAL A 10 -10.269 -0.883 -1.159 1.00 0.39 O ATOM 142 CB VAL A 10 -8.692 1.883 -0.299 1.00 0.29 C ATOM 143 CG1 VAL A 10 -8.938 2.066 -1.806 1.00 0.35 C ATOM 144 CG2 VAL A 10 -8.750 3.281 0.315 1.00 0.31 C ATOM 0 H VAL A 10 -8.851 1.431 2.157 1.00 0.35 H new ATOM 0 HA VAL A 10 -10.707 1.289 0.039 1.00 0.33 H new ATOM 0 HB VAL A 10 -7.722 1.427 -0.100 1.00 0.29 H new ATOM 0 HG11 VAL A 10 -8.197 2.752 -2.215 1.00 0.35 H new ATOM 0 HG12 VAL A 10 -8.856 1.102 -2.308 1.00 0.35 H new ATOM 0 HG13 VAL A 10 -9.936 2.474 -1.965 1.00 0.35 H new ATOM 0 HG21 VAL A 10 -8.003 3.918 -0.159 1.00 0.31 H new ATOM 0 HG22 VAL A 10 -9.741 3.706 0.158 1.00 0.31 H new ATOM 0 HG23 VAL A 10 -8.547 3.218 1.384 1.00 0.31 H new ATOM 154 N HIS A 11 -8.631 -1.295 0.312 1.00 0.39 N ATOM 155 CA HIS A 11 -8.447 -2.672 -0.135 1.00 0.42 C ATOM 156 C HIS A 11 -9.739 -3.467 0.004 1.00 0.43 C ATOM 157 O HIS A 11 -10.146 -4.157 -0.926 1.00 0.42 O ATOM 158 CB HIS A 11 -7.323 -3.366 0.639 1.00 0.46 C ATOM 159 CG HIS A 11 -5.958 -2.955 0.166 1.00 0.46 C ATOM 160 ND1 HIS A 11 -5.437 -1.683 0.194 1.00 0.47 N ATOM 161 CD2 HIS A 11 -5.136 -3.718 -0.613 1.00 0.53 C ATOM 162 CE1 HIS A 11 -4.331 -1.689 -0.568 1.00 0.61 C ATOM 163 NE2 HIS A 11 -4.117 -2.904 -1.088 1.00 0.64 N ATOM 0 H HIS A 11 -8.001 -1.005 1.060 1.00 0.39 H new ATOM 0 HA HIS A 11 -8.167 -2.635 -1.188 1.00 0.42 H new ATOM 0 HB2 HIS A 11 -7.421 -3.135 1.700 1.00 0.46 H new ATOM 0 HB3 HIS A 11 -7.429 -4.446 0.537 1.00 0.46 H new ATOM 0 HD1 HIS A 11 -5.819 -0.884 0.699 1.00 0.47 H new ATOM 0 HD2 HIS A 11 -5.257 -4.770 -0.823 1.00 0.53 H new ATOM 0 HE1 HIS A 11 -3.699 -0.830 -0.738 1.00 0.61 H new ATOM 171 N ASN A 12 -10.366 -3.394 1.174 1.00 0.50 N ATOM 172 CA ASN A 12 -11.603 -4.109 1.437 1.00 0.58 C ATOM 173 C ASN A 12 -12.672 -3.644 0.468 1.00 0.53 C ATOM 174 O ASN A 12 -13.409 -4.467 -0.050 1.00 0.58 O ATOM 175 CB ASN A 12 -12.074 -3.937 2.883 1.00 0.75 C ATOM 176 CG ASN A 12 -11.399 -4.949 3.796 1.00 0.98 C ATOM 177 OD1 ASN A 12 -11.879 -6.065 3.954 1.00 1.98 O ATOM 178 ND2 ASN A 12 -10.270 -4.585 4.382 1.00 0.80 N ATOM 0 H ASN A 12 -10.030 -2.839 1.961 1.00 0.50 H new ATOM 0 HA ASN A 12 -11.415 -5.173 1.292 1.00 0.58 H new ATOM 0 HB2 ASN A 12 -11.851 -2.926 3.225 1.00 0.75 H new ATOM 0 HB3 ASN A 12 -13.156 -4.059 2.935 1.00 0.75 H new ATOM 0 HD21 ASN A 12 -9.774 -5.241 4.985 1.00 0.80 H new ATOM 0 HD22 ASN A 12 -9.896 -3.648 4.231 1.00 0.80 H new ATOM 185 N ASP A 13 -12.750 -2.341 0.191 1.00 0.51 N ATOM 186 CA ASP A 13 -13.676 -1.823 -0.812 1.00 0.54 C ATOM 187 C ASP A 13 -13.422 -2.473 -2.171 1.00 0.51 C ATOM 188 O ASP A 13 -14.286 -3.116 -2.756 1.00 0.56 O ATOM 189 CB ASP A 13 -13.571 -0.294 -0.898 1.00 0.58 C ATOM 190 CG ASP A 13 -14.929 0.355 -0.978 1.00 0.68 C ATOM 191 OD1 ASP A 13 -15.725 -0.062 -1.841 1.00 1.59 O ATOM 192 OD2 ASP A 13 -15.170 1.287 -0.183 1.00 1.85 O ATOM 0 H ASP A 13 -12.182 -1.627 0.648 1.00 0.51 H new ATOM 0 HA ASP A 13 -14.692 -2.075 -0.509 1.00 0.54 H new ATOM 0 HB2 ASP A 13 -13.038 0.084 -0.025 1.00 0.58 H new ATOM 0 HB3 ASP A 13 -12.984 -0.018 -1.774 1.00 0.58 H new ATOM 197 N ALA A 14 -12.198 -2.316 -2.663 1.00 0.47 N ATOM 198 CA ALA A 14 -11.746 -2.835 -3.942 1.00 0.49 C ATOM 199 C ALA A 14 -11.997 -4.340 -4.068 1.00 0.48 C ATOM 200 O ALA A 14 -12.323 -4.819 -5.153 1.00 0.72 O ATOM 201 CB ALA A 14 -10.261 -2.516 -4.094 1.00 0.58 C ATOM 0 H ALA A 14 -11.470 -1.806 -2.162 1.00 0.47 H new ATOM 0 HA ALA A 14 -12.315 -2.359 -4.741 1.00 0.49 H new ATOM 0 HB1 ALA A 14 -9.903 -2.898 -5.050 1.00 0.58 H new ATOM 0 HB2 ALA A 14 -10.115 -1.436 -4.057 1.00 0.58 H new ATOM 0 HB3 ALA A 14 -9.703 -2.985 -3.283 1.00 0.58 H new ATOM 207 N ARG A 15 -11.813 -5.089 -2.984 1.00 0.47 N ATOM 208 CA ARG A 15 -12.072 -6.518 -2.949 1.00 0.52 C ATOM 209 C ARG A 15 -13.576 -6.799 -2.917 1.00 0.59 C ATOM 210 O ARG A 15 -14.057 -7.629 -3.683 1.00 0.70 O ATOM 211 CB ARG A 15 -11.296 -7.156 -1.787 1.00 0.50 C ATOM 212 CG ARG A 15 -9.817 -7.309 -2.182 1.00 0.49 C ATOM 213 CD ARG A 15 -8.964 -7.901 -1.056 1.00 0.74 C ATOM 214 NE ARG A 15 -7.731 -8.566 -1.526 1.00 1.34 N ATOM 215 CZ ARG A 15 -6.522 -8.287 -1.018 1.00 2.03 C ATOM 216 NH1 ARG A 15 -6.246 -7.027 -0.718 1.00 2.79 N ATOM 217 NH2 ARG A 15 -5.610 -9.234 -0.797 1.00 2.81 N ATOM 0 H ARG A 15 -11.476 -4.713 -2.098 1.00 0.47 H new ATOM 0 HA ARG A 15 -11.708 -6.985 -3.864 1.00 0.52 H new ATOM 0 HB2 ARG A 15 -11.383 -6.537 -0.894 1.00 0.50 H new ATOM 0 HB3 ARG A 15 -11.721 -8.130 -1.543 1.00 0.50 H new ATOM 0 HG2 ARG A 15 -9.744 -7.948 -3.062 1.00 0.49 H new ATOM 0 HG3 ARG A 15 -9.417 -6.334 -2.462 1.00 0.49 H new ATOM 0 HD2 ARG A 15 -8.694 -7.106 -0.361 1.00 0.74 H new ATOM 0 HD3 ARG A 15 -9.564 -8.621 -0.499 1.00 0.74 H new ATOM 0 HE ARG A 15 -7.802 -9.265 -2.266 1.00 1.34 H new ATOM 0 HH11 ARG A 15 -6.945 -6.301 -0.875 1.00 2.79 H new ATOM 0 HH12 ARG A 15 -5.335 -6.783 -0.330 1.00 2.79 H new ATOM 0 HH21 ARG A 15 -5.822 -10.207 -1.016 1.00 2.81 H new ATOM 0 HH22 ARG A 15 -4.700 -8.985 -0.409 1.00 2.81 H new ATOM 231 N ALA A 16 -14.327 -6.101 -2.071 1.00 0.57 N ATOM 232 CA ALA A 16 -15.779 -6.195 -1.971 1.00 0.63 C ATOM 233 C ALA A 16 -16.421 -5.991 -3.342 1.00 0.68 C ATOM 234 O ALA A 16 -17.314 -6.735 -3.744 1.00 0.80 O ATOM 235 CB ALA A 16 -16.280 -5.152 -0.969 1.00 0.64 C ATOM 0 H ALA A 16 -13.927 -5.431 -1.414 1.00 0.57 H new ATOM 0 HA ALA A 16 -16.059 -7.188 -1.619 1.00 0.63 H new ATOM 0 HB1 ALA A 16 -17.365 -5.216 -0.889 1.00 0.64 H new ATOM 0 HB2 ALA A 16 -15.832 -5.340 0.007 1.00 0.64 H new ATOM 0 HB3 ALA A 16 -16.000 -4.155 -1.310 1.00 0.64 H new ATOM 241 N GLN A 17 -15.906 -5.022 -4.097 1.00 0.64 N ATOM 242 CA GLN A 17 -16.264 -4.759 -5.482 1.00 0.69 C ATOM 243 C GLN A 17 -16.327 -6.038 -6.341 1.00 0.72 C ATOM 244 O GLN A 17 -17.133 -6.092 -7.274 1.00 1.01 O ATOM 245 CB GLN A 17 -15.278 -3.729 -6.067 1.00 0.68 C ATOM 246 CG GLN A 17 -15.835 -2.303 -6.198 1.00 1.29 C ATOM 247 CD GLN A 17 -16.022 -1.621 -4.846 1.00 1.40 C ATOM 248 OE1 GLN A 17 -17.018 -1.836 -4.168 1.00 3.06 O ATOM 249 NE2 GLN A 17 -15.115 -0.743 -4.443 1.00 1.58 N ATOM 0 H GLN A 17 -15.201 -4.376 -3.743 1.00 0.64 H new ATOM 0 HA GLN A 17 -17.274 -4.350 -5.501 1.00 0.69 H new ATOM 0 HB2 GLN A 17 -14.389 -3.700 -5.437 1.00 0.68 H new ATOM 0 HB3 GLN A 17 -14.960 -4.071 -7.052 1.00 0.68 H new ATOM 0 HG2 GLN A 17 -15.159 -1.707 -6.811 1.00 1.29 H new ATOM 0 HG3 GLN A 17 -16.792 -2.337 -6.719 1.00 1.29 H new ATOM 0 HE21 GLN A 17 -14.287 -0.568 -5.012 1.00 1.58 H new ATOM 0 HE22 GLN A 17 -15.245 -0.242 -3.564 1.00 1.58 H new ATOM 258 N VAL A 18 -15.480 -7.037 -6.072 1.00 0.59 N ATOM 259 CA VAL A 18 -15.451 -8.329 -6.763 1.00 0.64 C ATOM 260 C VAL A 18 -15.654 -9.497 -5.783 1.00 0.67 C ATOM 261 O VAL A 18 -15.287 -10.631 -6.086 1.00 0.80 O ATOM 262 CB VAL A 18 -14.148 -8.467 -7.572 1.00 0.66 C ATOM 263 CG1 VAL A 18 -14.187 -7.553 -8.798 1.00 0.77 C ATOM 264 CG2 VAL A 18 -12.900 -8.125 -6.753 1.00 0.61 C ATOM 0 H VAL A 18 -14.771 -6.965 -5.342 1.00 0.59 H new ATOM 0 HA VAL A 18 -16.285 -8.368 -7.464 1.00 0.64 H new ATOM 0 HB VAL A 18 -14.083 -9.514 -7.869 1.00 0.66 H new ATOM 0 HG11 VAL A 18 -13.260 -7.660 -9.361 1.00 0.77 H new ATOM 0 HG12 VAL A 18 -15.030 -7.829 -9.431 1.00 0.77 H new ATOM 0 HG13 VAL A 18 -14.299 -6.518 -8.476 1.00 0.77 H new ATOM 0 HG21 VAL A 18 -12.013 -8.240 -7.376 1.00 0.61 H new ATOM 0 HG22 VAL A 18 -12.966 -7.095 -6.403 1.00 0.61 H new ATOM 0 HG23 VAL A 18 -12.832 -8.796 -5.897 1.00 0.61 H new ATOM 274 N GLY A 19 -16.245 -9.235 -4.616 1.00 0.72 N ATOM 275 CA GLY A 19 -16.479 -10.220 -3.572 1.00 0.76 C ATOM 276 C GLY A 19 -15.247 -11.080 -3.284 1.00 0.76 C ATOM 277 O GLY A 19 -15.345 -12.298 -3.138 1.00 0.97 O ATOM 0 H GLY A 19 -16.581 -8.304 -4.369 1.00 0.72 H new ATOM 0 HA2 GLY A 19 -16.782 -9.709 -2.658 1.00 0.76 H new ATOM 0 HA3 GLY A 19 -17.307 -10.865 -3.866 1.00 0.76 H new ATOM 281 N VAL A 20 -14.075 -10.457 -3.203 1.00 0.67 N ATOM 282 CA VAL A 20 -12.838 -11.144 -2.874 1.00 0.68 C ATOM 283 C VAL A 20 -12.653 -11.144 -1.355 1.00 0.59 C ATOM 284 O VAL A 20 -12.872 -10.121 -0.710 1.00 0.52 O ATOM 285 CB VAL A 20 -11.670 -10.497 -3.623 1.00 0.71 C ATOM 286 CG1 VAL A 20 -10.340 -10.928 -3.011 1.00 0.80 C ATOM 287 CG2 VAL A 20 -11.676 -10.940 -5.088 1.00 0.68 C ATOM 0 H VAL A 20 -13.960 -9.457 -3.365 1.00 0.67 H new ATOM 0 HA VAL A 20 -12.876 -12.185 -3.196 1.00 0.68 H new ATOM 0 HB VAL A 20 -11.784 -9.415 -3.550 1.00 0.71 H new ATOM 0 HG11 VAL A 20 -9.520 -10.459 -3.555 1.00 0.80 H new ATOM 0 HG12 VAL A 20 -10.304 -10.621 -1.966 1.00 0.80 H new ATOM 0 HG13 VAL A 20 -10.245 -12.012 -3.074 1.00 0.80 H new ATOM 0 HG21 VAL A 20 -10.841 -10.474 -5.612 1.00 0.68 H new ATOM 0 HG22 VAL A 20 -11.578 -12.024 -5.141 1.00 0.68 H new ATOM 0 HG23 VAL A 20 -12.613 -10.637 -5.556 1.00 0.68 H new ATOM 297 N GLY A 21 -12.256 -12.280 -0.778 1.00 0.79 N ATOM 298 CA GLY A 21 -11.988 -12.400 0.652 1.00 0.85 C ATOM 299 C GLY A 21 -10.988 -11.345 1.159 1.00 0.81 C ATOM 300 O GLY A 21 -10.091 -10.942 0.414 1.00 0.84 O ATOM 0 H GLY A 21 -12.111 -13.147 -1.296 1.00 0.79 H new ATOM 0 HA2 GLY A 21 -12.924 -12.302 1.202 1.00 0.85 H new ATOM 0 HA3 GLY A 21 -11.597 -13.396 0.862 1.00 0.85 H new ATOM 304 N PRO A 22 -11.127 -10.885 2.414 1.00 0.83 N ATOM 305 CA PRO A 22 -10.360 -9.771 2.967 1.00 0.84 C ATOM 306 C PRO A 22 -8.927 -10.185 3.331 1.00 0.88 C ATOM 307 O PRO A 22 -8.501 -11.310 3.058 1.00 1.04 O ATOM 308 CB PRO A 22 -11.161 -9.328 4.200 1.00 0.93 C ATOM 309 CG PRO A 22 -11.787 -10.632 4.685 1.00 1.01 C ATOM 310 CD PRO A 22 -12.114 -11.348 3.376 1.00 0.94 C ATOM 0 HA PRO A 22 -10.237 -8.962 2.247 1.00 0.84 H new ATOM 0 HB2 PRO A 22 -10.520 -8.881 4.959 1.00 0.93 H new ATOM 0 HB3 PRO A 22 -11.918 -8.586 3.945 1.00 0.93 H new ATOM 0 HG2 PRO A 22 -11.097 -11.208 5.302 1.00 1.01 H new ATOM 0 HG3 PRO A 22 -12.680 -10.455 5.285 1.00 1.01 H new ATOM 0 HD2 PRO A 22 -12.063 -12.430 3.499 1.00 0.94 H new ATOM 0 HD3 PRO A 22 -13.125 -11.112 3.043 1.00 0.94 H new ATOM 318 N MET A 23 -8.186 -9.270 3.966 1.00 0.83 N ATOM 319 CA MET A 23 -6.835 -9.482 4.475 1.00 0.83 C ATOM 320 C MET A 23 -6.653 -8.753 5.814 1.00 0.78 C ATOM 321 O MET A 23 -7.592 -8.119 6.303 1.00 0.87 O ATOM 322 CB MET A 23 -5.798 -9.016 3.442 1.00 0.87 C ATOM 323 CG MET A 23 -5.968 -7.577 2.952 1.00 0.82 C ATOM 324 SD MET A 23 -4.636 -6.897 1.914 1.00 1.26 S ATOM 325 CE MET A 23 -3.302 -8.097 2.122 1.00 1.65 C ATOM 0 H MET A 23 -8.529 -8.326 4.144 1.00 0.83 H new ATOM 0 HA MET A 23 -6.682 -10.547 4.647 1.00 0.83 H new ATOM 0 HB2 MET A 23 -4.804 -9.120 3.877 1.00 0.87 H new ATOM 0 HB3 MET A 23 -5.841 -9.683 2.581 1.00 0.87 H new ATOM 0 HG2 MET A 23 -6.900 -7.518 2.390 1.00 0.82 H new ATOM 0 HG3 MET A 23 -6.081 -6.933 3.824 1.00 0.82 H new ATOM 0 HE1 MET A 23 -2.415 -7.750 1.593 1.00 1.65 H new ATOM 0 HE2 MET A 23 -3.073 -8.206 3.182 1.00 1.65 H new ATOM 0 HE3 MET A 23 -3.613 -9.060 1.717 1.00 1.65 H new ATOM 335 N SER A 24 -5.441 -8.817 6.367 1.00 0.75 N ATOM 336 CA SER A 24 -4.976 -8.171 7.578 1.00 0.76 C ATOM 337 C SER A 24 -3.769 -7.280 7.296 1.00 0.64 C ATOM 338 O SER A 24 -3.246 -7.261 6.181 1.00 0.69 O ATOM 339 CB SER A 24 -4.728 -9.263 8.632 1.00 1.11 C ATOM 340 OG SER A 24 -3.360 -9.571 8.801 1.00 1.28 O ATOM 0 H SER A 24 -4.702 -9.372 5.936 1.00 0.75 H new ATOM 0 HA SER A 24 -5.727 -7.490 7.977 1.00 0.76 H new ATOM 0 HB2 SER A 24 -5.142 -8.938 9.587 1.00 1.11 H new ATOM 0 HB3 SER A 24 -5.265 -10.167 8.343 1.00 1.11 H new ATOM 0 HG SER A 24 -2.878 -8.770 9.096 1.00 1.28 H new ATOM 346 N TRP A 25 -3.334 -6.559 8.326 1.00 0.63 N ATOM 347 CA TRP A 25 -2.078 -5.820 8.308 1.00 0.63 C ATOM 348 C TRP A 25 -0.977 -6.801 8.706 1.00 0.71 C ATOM 349 O TRP A 25 -1.277 -7.870 9.236 1.00 1.30 O ATOM 350 CB TRP A 25 -2.119 -4.678 9.330 1.00 0.62 C ATOM 351 CG TRP A 25 -1.093 -3.616 9.094 1.00 0.58 C ATOM 352 CD1 TRP A 25 -0.076 -3.257 9.910 1.00 0.60 C ATOM 353 CD2 TRP A 25 -0.991 -2.755 7.931 1.00 0.54 C ATOM 354 NE1 TRP A 25 0.625 -2.216 9.334 1.00 0.59 N ATOM 355 CE2 TRP A 25 0.108 -1.868 8.102 1.00 0.55 C ATOM 356 CE3 TRP A 25 -1.757 -2.618 6.762 1.00 0.53 C ATOM 357 CZ2 TRP A 25 0.414 -0.868 7.163 1.00 0.55 C ATOM 358 CZ3 TRP A 25 -1.450 -1.640 5.808 1.00 0.54 C ATOM 359 CH2 TRP A 25 -0.398 -0.733 6.023 1.00 0.54 C ATOM 0 H TRP A 25 -3.848 -6.472 9.203 1.00 0.63 H new ATOM 0 HA TRP A 25 -1.902 -5.395 7.320 1.00 0.63 H new ATOM 0 HB2 TRP A 25 -3.109 -4.223 9.312 1.00 0.62 H new ATOM 0 HB3 TRP A 25 -1.976 -5.092 10.328 1.00 0.62 H new ATOM 0 HD1 TRP A 25 0.152 -3.713 10.862 1.00 0.60 H new ATOM 0 HE1 TRP A 25 1.428 -1.759 9.767 1.00 0.59 H new ATOM 0 HE3 TRP A 25 -2.596 -3.277 6.596 1.00 0.53 H new ATOM 0 HZ2 TRP A 25 1.260 -0.213 7.315 1.00 0.55 H new ATOM 0 HZ3 TRP A 25 -2.028 -1.582 4.897 1.00 0.54 H new ATOM 0 HH2 TRP A 25 -0.214 0.063 5.317 1.00 0.54 H new ATOM 370 N ASP A 26 0.292 -6.445 8.544 1.00 0.50 N ATOM 371 CA ASP A 26 1.369 -7.154 9.210 1.00 0.46 C ATOM 372 C ASP A 26 2.436 -6.191 9.703 1.00 0.64 C ATOM 373 O ASP A 26 2.949 -5.362 8.951 1.00 1.20 O ATOM 374 CB ASP A 26 1.955 -8.247 8.332 1.00 0.58 C ATOM 375 CG ASP A 26 3.052 -8.964 9.082 1.00 1.98 C ATOM 376 OD1 ASP A 26 2.689 -9.847 9.886 1.00 3.16 O ATOM 377 OD2 ASP A 26 4.233 -8.633 8.861 1.00 2.94 O ATOM 0 H ASP A 26 0.597 -5.669 7.956 1.00 0.50 H new ATOM 0 HA ASP A 26 0.945 -7.648 10.084 1.00 0.46 H new ATOM 0 HB2 ASP A 26 1.176 -8.953 8.044 1.00 0.58 H new ATOM 0 HB3 ASP A 26 2.351 -7.816 7.412 1.00 0.58 H new ATOM 382 N ALA A 27 2.765 -6.305 10.985 1.00 0.71 N ATOM 383 CA ALA A 27 3.678 -5.412 11.666 1.00 0.91 C ATOM 384 C ALA A 27 5.074 -5.517 11.060 1.00 0.84 C ATOM 385 O ALA A 27 5.764 -4.504 10.930 1.00 0.90 O ATOM 386 CB ALA A 27 3.721 -5.785 13.151 1.00 1.19 C ATOM 0 H ALA A 27 2.393 -7.039 11.588 1.00 0.71 H new ATOM 0 HA ALA A 27 3.333 -4.384 11.554 1.00 0.91 H new ATOM 0 HB1 ALA A 27 4.406 -5.118 13.674 1.00 1.19 H new ATOM 0 HB2 ALA A 27 2.723 -5.689 13.579 1.00 1.19 H new ATOM 0 HB3 ALA A 27 4.064 -6.814 13.258 1.00 1.19 H new ATOM 392 N ASN A 28 5.511 -6.723 10.707 1.00 0.78 N ATOM 393 CA ASN A 28 6.865 -6.934 10.223 1.00 0.81 C ATOM 394 C ASN A 28 6.959 -6.388 8.812 1.00 0.78 C ATOM 395 O ASN A 28 7.847 -5.585 8.534 1.00 0.82 O ATOM 396 CB ASN A 28 7.267 -8.411 10.268 1.00 0.93 C ATOM 397 CG ASN A 28 7.296 -8.926 11.697 1.00 1.11 C ATOM 398 OD1 ASN A 28 6.261 -9.288 12.248 1.00 1.83 O ATOM 399 ND2 ASN A 28 8.463 -8.956 12.320 1.00 2.46 N ATOM 0 H ASN A 28 4.942 -7.569 10.749 1.00 0.78 H new ATOM 0 HA ASN A 28 7.562 -6.407 10.875 1.00 0.81 H new ATOM 0 HB2 ASN A 28 6.564 -9.001 9.680 1.00 0.93 H new ATOM 0 HB3 ASN A 28 8.249 -8.538 9.812 1.00 0.93 H new ATOM 0 HD21 ASN A 28 8.518 -9.286 13.283 1.00 2.46 H new ATOM 0 HD22 ASN A 28 9.307 -8.649 11.837 1.00 2.46 H new ATOM 406 N LEU A 29 6.025 -6.748 7.930 1.00 0.76 N ATOM 407 CA LEU A 29 5.963 -6.146 6.616 1.00 0.73 C ATOM 408 C LEU A 29 5.938 -4.627 6.746 1.00 0.78 C ATOM 409 O LEU A 29 6.611 -3.954 5.976 1.00 0.78 O ATOM 410 CB LEU A 29 4.721 -6.607 5.846 1.00 0.69 C ATOM 411 CG LEU A 29 4.707 -8.057 5.346 1.00 0.65 C ATOM 412 CD1 LEU A 29 3.422 -8.264 4.539 1.00 0.91 C ATOM 413 CD2 LEU A 29 5.869 -8.363 4.399 1.00 0.79 C ATOM 0 H LEU A 29 5.308 -7.451 8.109 1.00 0.76 H new ATOM 0 HA LEU A 29 6.847 -6.461 6.062 1.00 0.73 H new ATOM 0 HB2 LEU A 29 3.852 -6.462 6.488 1.00 0.69 H new ATOM 0 HB3 LEU A 29 4.594 -5.951 4.985 1.00 0.69 H new ATOM 0 HG LEU A 29 4.782 -8.706 6.218 1.00 0.65 H new ATOM 0 HD11 LEU A 29 3.385 -9.289 4.170 1.00 0.91 H new ATOM 0 HD12 LEU A 29 2.558 -8.076 5.176 1.00 0.91 H new ATOM 0 HD13 LEU A 29 3.407 -7.574 3.695 1.00 0.91 H new ATOM 0 HD21 LEU A 29 5.811 -9.402 4.076 1.00 0.79 H new ATOM 0 HD22 LEU A 29 5.812 -7.708 3.529 1.00 0.79 H new ATOM 0 HD23 LEU A 29 6.814 -8.197 4.917 1.00 0.79 H new ATOM 425 N ALA A 30 5.177 -4.070 7.690 1.00 0.82 N ATOM 426 CA ALA A 30 5.092 -2.626 7.853 1.00 0.84 C ATOM 427 C ALA A 30 6.447 -2.047 8.253 1.00 0.91 C ATOM 428 O ALA A 30 6.873 -1.033 7.707 1.00 0.98 O ATOM 429 CB ALA A 30 4.003 -2.267 8.862 1.00 0.83 C ATOM 0 H ALA A 30 4.612 -4.602 8.352 1.00 0.82 H new ATOM 0 HA ALA A 30 4.817 -2.180 6.897 1.00 0.84 H new ATOM 0 HB1 ALA A 30 3.952 -1.184 8.973 1.00 0.83 H new ATOM 0 HB2 ALA A 30 3.042 -2.641 8.509 1.00 0.83 H new ATOM 0 HB3 ALA A 30 4.236 -2.719 9.826 1.00 0.83 H new ATOM 435 N SER A 31 7.137 -2.680 9.201 1.00 0.94 N ATOM 436 CA SER A 31 8.430 -2.214 9.657 1.00 1.03 C ATOM 437 C SER A 31 9.431 -2.233 8.494 1.00 1.09 C ATOM 438 O SER A 31 10.188 -1.286 8.265 1.00 1.20 O ATOM 439 CB SER A 31 8.859 -3.080 10.849 1.00 1.06 C ATOM 440 OG SER A 31 9.402 -4.330 10.469 1.00 1.21 O ATOM 0 H SER A 31 6.810 -3.526 9.668 1.00 0.94 H new ATOM 0 HA SER A 31 8.385 -1.180 9.998 1.00 1.03 H new ATOM 0 HB2 SER A 31 9.597 -2.535 11.437 1.00 1.06 H new ATOM 0 HB3 SER A 31 7.997 -3.248 11.495 1.00 1.06 H new ATOM 0 HG SER A 31 8.829 -4.743 9.789 1.00 1.21 H new ATOM 446 N ARG A 32 9.422 -3.331 7.740 1.00 1.05 N ATOM 447 CA ARG A 32 10.323 -3.557 6.640 1.00 1.19 C ATOM 448 C ARG A 32 9.996 -2.566 5.526 1.00 1.08 C ATOM 449 O ARG A 32 10.890 -1.982 4.927 1.00 1.05 O ATOM 450 CB ARG A 32 10.167 -5.024 6.213 1.00 1.42 C ATOM 451 CG ARG A 32 11.217 -5.456 5.214 1.00 1.39 C ATOM 452 CD ARG A 32 10.838 -5.109 3.773 1.00 2.09 C ATOM 453 NE ARG A 32 12.050 -4.911 2.981 1.00 3.02 N ATOM 454 CZ ARG A 32 12.576 -5.709 2.047 1.00 3.86 C ATOM 455 NH1 ARG A 32 11.940 -6.806 1.636 1.00 4.41 N ATOM 456 NH2 ARG A 32 13.757 -5.346 1.557 1.00 4.75 N ATOM 0 H ARG A 32 8.768 -4.099 7.891 1.00 1.05 H new ATOM 0 HA ARG A 32 11.366 -3.392 6.910 1.00 1.19 H new ATOM 0 HB2 ARG A 32 10.225 -5.663 7.094 1.00 1.42 H new ATOM 0 HB3 ARG A 32 9.177 -5.169 5.779 1.00 1.42 H new ATOM 0 HG2 ARG A 32 12.166 -4.979 5.461 1.00 1.39 H new ATOM 0 HG3 ARG A 32 11.370 -6.532 5.296 1.00 1.39 H new ATOM 0 HD2 ARG A 32 10.237 -5.909 3.342 1.00 2.09 H new ATOM 0 HD3 ARG A 32 10.228 -4.206 3.754 1.00 2.09 H new ATOM 0 HE ARG A 32 12.563 -4.049 3.166 1.00 3.02 H new ATOM 0 HH11 ARG A 32 11.034 -7.050 2.036 1.00 4.41 H new ATOM 0 HH12 ARG A 32 12.359 -7.401 0.922 1.00 4.41 H new ATOM 0 HH21 ARG A 32 14.211 -4.498 1.897 1.00 4.75 H new ATOM 0 HH22 ARG A 32 14.209 -5.915 0.841 1.00 4.75 H new ATOM 470 N ALA A 33 8.715 -2.374 5.230 1.00 1.05 N ATOM 471 CA ALA A 33 8.277 -1.474 4.180 1.00 1.01 C ATOM 472 C ALA A 33 8.671 -0.056 4.555 1.00 0.97 C ATOM 473 O ALA A 33 9.158 0.691 3.716 1.00 0.96 O ATOM 474 CB ALA A 33 6.771 -1.594 3.954 1.00 0.96 C ATOM 0 H ALA A 33 7.951 -2.843 5.717 1.00 1.05 H new ATOM 0 HA ALA A 33 8.761 -1.742 3.241 1.00 1.01 H new ATOM 0 HB1 ALA A 33 6.466 -0.910 3.162 1.00 0.96 H new ATOM 0 HB2 ALA A 33 6.527 -2.616 3.664 1.00 0.96 H new ATOM 0 HB3 ALA A 33 6.244 -1.342 4.874 1.00 0.96 H new ATOM 480 N GLN A 34 8.499 0.324 5.820 1.00 1.00 N ATOM 481 CA GLN A 34 8.960 1.617 6.283 1.00 0.99 C ATOM 482 C GLN A 34 10.455 1.756 6.005 1.00 0.85 C ATOM 483 O GLN A 34 10.878 2.749 5.429 1.00 0.77 O ATOM 484 CB GLN A 34 8.631 1.806 7.769 1.00 1.12 C ATOM 485 CG GLN A 34 8.965 3.218 8.266 1.00 1.28 C ATOM 486 CD GLN A 34 8.125 4.258 7.539 1.00 1.01 C ATOM 487 OE1 GLN A 34 6.981 4.506 7.912 1.00 2.18 O ATOM 488 NE2 GLN A 34 8.641 4.828 6.459 1.00 1.24 N ATOM 0 H GLN A 34 8.046 -0.247 6.534 1.00 1.00 H new ATOM 0 HA GLN A 34 8.441 2.406 5.739 1.00 0.99 H new ATOM 0 HB2 GLN A 34 7.572 1.607 7.932 1.00 1.12 H new ATOM 0 HB3 GLN A 34 9.187 1.076 8.357 1.00 1.12 H new ATOM 0 HG2 GLN A 34 8.784 3.283 9.339 1.00 1.28 H new ATOM 0 HG3 GLN A 34 10.024 3.423 8.108 1.00 1.28 H new ATOM 0 HE21 GLN A 34 9.594 4.605 6.170 1.00 1.24 H new ATOM 0 HE22 GLN A 34 8.085 5.490 5.917 1.00 1.24 H new ATOM 497 N ASN A 35 11.250 0.752 6.374 1.00 0.84 N ATOM 498 CA ASN A 35 12.679 0.705 6.062 1.00 0.75 C ATOM 499 C ASN A 35 12.921 0.844 4.555 1.00 0.65 C ATOM 500 O ASN A 35 13.836 1.541 4.116 1.00 0.66 O ATOM 501 CB ASN A 35 13.285 -0.613 6.572 1.00 0.86 C ATOM 502 CG ASN A 35 13.786 -0.494 7.998 1.00 1.13 C ATOM 503 OD1 ASN A 35 14.966 -0.245 8.221 1.00 2.02 O ATOM 504 ND2 ASN A 35 12.913 -0.668 8.982 1.00 1.91 N ATOM 0 H ASN A 35 10.919 -0.056 6.901 1.00 0.84 H new ATOM 0 HA ASN A 35 13.164 1.543 6.562 1.00 0.75 H new ATOM 0 HB2 ASN A 35 12.535 -1.402 6.516 1.00 0.86 H new ATOM 0 HB3 ASN A 35 14.108 -0.909 5.922 1.00 0.86 H new ATOM 0 HD21 ASN A 35 13.218 -0.596 9.953 1.00 1.91 H new ATOM 0 HD22 ASN A 35 11.937 -0.874 8.768 1.00 1.91 H new ATOM 511 N TYR A 36 12.115 0.170 3.742 1.00 0.70 N ATOM 512 CA TYR A 36 12.243 0.183 2.298 1.00 0.79 C ATOM 513 C TYR A 36 12.036 1.603 1.778 1.00 0.81 C ATOM 514 O TYR A 36 12.857 2.120 1.022 1.00 0.85 O ATOM 515 CB TYR A 36 11.248 -0.820 1.695 1.00 0.93 C ATOM 516 CG TYR A 36 11.498 -1.171 0.247 1.00 0.99 C ATOM 517 CD1 TYR A 36 12.499 -2.105 -0.070 1.00 2.16 C ATOM 518 CD2 TYR A 36 10.707 -0.614 -0.777 1.00 2.06 C ATOM 519 CE1 TYR A 36 12.746 -2.444 -1.409 1.00 2.35 C ATOM 520 CE2 TYR A 36 10.957 -0.957 -2.116 1.00 2.11 C ATOM 521 CZ TYR A 36 11.966 -1.879 -2.429 1.00 1.47 C ATOM 522 OH TYR A 36 12.255 -2.156 -3.728 1.00 1.79 O ATOM 0 H TYR A 36 11.344 -0.408 4.077 1.00 0.70 H new ATOM 0 HA TYR A 36 13.244 -0.125 1.996 1.00 0.79 H new ATOM 0 HB2 TYR A 36 11.275 -1.736 2.286 1.00 0.93 H new ATOM 0 HB3 TYR A 36 10.242 -0.411 1.786 1.00 0.93 H new ATOM 0 HD1 TYR A 36 13.079 -2.562 0.718 1.00 2.16 H new ATOM 0 HD2 TYR A 36 9.911 0.074 -0.533 1.00 2.06 H new ATOM 0 HE1 TYR A 36 13.536 -3.139 -1.654 1.00 2.35 H new ATOM 0 HE2 TYR A 36 10.371 -0.510 -2.906 1.00 2.11 H new ATOM 0 HH TYR A 36 11.621 -1.688 -4.311 1.00 1.79 H new ATOM 532 N ALA A 37 10.947 2.237 2.194 1.00 0.86 N ATOM 533 CA ALA A 37 10.608 3.591 1.808 1.00 0.93 C ATOM 534 C ALA A 37 11.678 4.563 2.294 1.00 0.91 C ATOM 535 O ALA A 37 12.124 5.422 1.544 1.00 1.06 O ATOM 536 CB ALA A 37 9.225 3.936 2.357 1.00 0.98 C ATOM 0 H ALA A 37 10.265 1.812 2.821 1.00 0.86 H new ATOM 0 HA ALA A 37 10.573 3.674 0.722 1.00 0.93 H new ATOM 0 HB1 ALA A 37 8.963 4.954 2.070 1.00 0.98 H new ATOM 0 HB2 ALA A 37 8.489 3.244 1.949 1.00 0.98 H new ATOM 0 HB3 ALA A 37 9.235 3.857 3.444 1.00 0.98 H new ATOM 542 N ASN A 38 12.088 4.403 3.548 1.00 0.79 N ATOM 543 CA ASN A 38 13.104 5.211 4.209 1.00 0.80 C ATOM 544 C ASN A 38 14.376 5.190 3.375 1.00 0.78 C ATOM 545 O ASN A 38 14.926 6.237 3.045 1.00 0.89 O ATOM 546 CB ASN A 38 13.418 4.645 5.592 1.00 0.72 C ATOM 547 CG ASN A 38 12.464 5.088 6.691 1.00 1.08 C ATOM 548 OD1 ASN A 38 11.341 5.517 6.438 1.00 2.00 O ATOM 549 ND2 ASN A 38 12.883 4.944 7.937 1.00 1.72 N ATOM 0 H ASN A 38 11.706 3.678 4.155 1.00 0.79 H new ATOM 0 HA ASN A 38 12.730 6.230 4.313 1.00 0.80 H new ATOM 0 HB2 ASN A 38 13.406 3.557 5.536 1.00 0.72 H new ATOM 0 HB3 ASN A 38 14.431 4.938 5.868 1.00 0.72 H new ATOM 0 HD21 ASN A 38 12.269 5.191 8.713 1.00 1.72 H new ATOM 0 HD22 ASN A 38 13.820 4.586 8.122 1.00 1.72 H new ATOM 556 N SER A 39 14.858 3.991 3.035 1.00 0.75 N ATOM 557 CA SER A 39 16.077 3.882 2.254 1.00 0.91 C ATOM 558 C SER A 39 15.867 4.529 0.880 1.00 1.20 C ATOM 559 O SER A 39 16.744 5.232 0.375 1.00 1.55 O ATOM 560 CB SER A 39 16.571 2.429 2.208 1.00 1.00 C ATOM 561 OG SER A 39 15.557 1.512 1.819 1.00 1.90 O ATOM 0 H SER A 39 14.427 3.102 3.286 1.00 0.75 H new ATOM 0 HA SER A 39 16.884 4.436 2.733 1.00 0.91 H new ATOM 0 HB2 SER A 39 17.406 2.356 1.511 1.00 1.00 H new ATOM 0 HB3 SER A 39 16.950 2.148 3.191 1.00 1.00 H new ATOM 0 HG SER A 39 14.948 1.359 2.571 1.00 1.90 H new ATOM 567 N ARG A 40 14.681 4.341 0.299 1.00 1.27 N ATOM 568 CA ARG A 40 14.269 4.898 -0.979 1.00 1.73 C ATOM 569 C ARG A 40 13.982 6.403 -0.825 1.00 1.78 C ATOM 570 O ARG A 40 12.854 6.860 -1.006 1.00 2.88 O ATOM 571 CB ARG A 40 13.064 4.073 -1.462 1.00 2.09 C ATOM 572 CG ARG A 40 12.761 4.104 -2.962 1.00 2.88 C ATOM 573 CD ARG A 40 11.946 5.335 -3.353 1.00 4.53 C ATOM 574 NE ARG A 40 11.411 5.215 -4.708 1.00 5.26 N ATOM 575 CZ ARG A 40 10.822 6.199 -5.402 1.00 7.25 C ATOM 576 NH1 ARG A 40 10.449 7.327 -4.815 1.00 8.93 N ATOM 577 NH2 ARG A 40 10.640 6.098 -6.710 1.00 7.93 N ATOM 0 H ARG A 40 13.954 3.770 0.730 1.00 1.27 H new ATOM 0 HA ARG A 40 15.050 4.832 -1.736 1.00 1.73 H new ATOM 0 HB2 ARG A 40 13.224 3.035 -1.169 1.00 2.09 H new ATOM 0 HB3 ARG A 40 12.179 4.421 -0.930 1.00 2.09 H new ATOM 0 HG2 ARG A 40 13.696 4.095 -3.522 1.00 2.88 H new ATOM 0 HG3 ARG A 40 12.214 3.203 -3.241 1.00 2.88 H new ATOM 0 HD2 ARG A 40 11.126 5.469 -2.647 1.00 4.53 H new ATOM 0 HD3 ARG A 40 12.573 6.224 -3.286 1.00 4.53 H new ATOM 0 HE ARG A 40 11.493 4.306 -5.164 1.00 5.26 H new ATOM 0 HH11 ARG A 40 10.609 7.459 -3.816 1.00 8.93 H new ATOM 0 HH12 ARG A 40 10.002 8.063 -5.362 1.00 8.93 H new ATOM 0 HH21 ARG A 40 10.950 5.262 -7.205 1.00 7.93 H new ATOM 0 HH22 ARG A 40 10.190 6.857 -7.222 1.00 7.93 H new ATOM 591 N ALA A 41 15.021 7.186 -0.530 1.00 1.24 N ATOM 592 CA ALA A 41 14.999 8.626 -0.357 1.00 1.26 C ATOM 593 C ALA A 41 16.453 9.097 -0.399 1.00 1.51 C ATOM 594 O ALA A 41 17.270 8.655 0.406 1.00 3.08 O ATOM 595 CB ALA A 41 14.330 8.999 0.969 1.00 1.34 C ATOM 0 H ALA A 41 15.956 6.800 -0.399 1.00 1.24 H new ATOM 0 HA ALA A 41 14.420 9.109 -1.144 1.00 1.26 H new ATOM 0 HB1 ALA A 41 14.323 10.083 1.081 1.00 1.34 H new ATOM 0 HB2 ALA A 41 13.306 8.627 0.977 1.00 1.34 H new ATOM 0 HB3 ALA A 41 14.885 8.553 1.794 1.00 1.34 H new ATOM 601 N GLY A 42 16.793 9.943 -1.368 1.00 1.73 N ATOM 602 CA GLY A 42 18.163 10.332 -1.673 1.00 1.77 C ATOM 603 C GLY A 42 18.270 10.441 -3.185 1.00 1.88 C ATOM 604 O GLY A 42 18.560 11.507 -3.728 1.00 2.16 O ATOM 0 H GLY A 42 16.105 10.387 -1.977 1.00 1.73 H new ATOM 0 HA2 GLY A 42 18.408 11.283 -1.200 1.00 1.77 H new ATOM 0 HA3 GLY A 42 18.868 9.594 -1.289 1.00 1.77 H new ATOM 608 N ASP A 43 17.921 9.342 -3.848 1.00 1.82 N ATOM 609 CA ASP A 43 17.690 9.292 -5.283 1.00 2.08 C ATOM 610 C ASP A 43 16.184 9.251 -5.479 1.00 2.21 C ATOM 611 O ASP A 43 15.598 10.117 -6.129 1.00 3.11 O ATOM 612 CB ASP A 43 18.330 8.026 -5.851 1.00 2.15 C ATOM 613 CG ASP A 43 18.021 7.897 -7.325 1.00 2.98 C ATOM 614 OD1 ASP A 43 16.862 7.598 -7.659 1.00 3.45 O ATOM 615 OD2 ASP A 43 18.942 8.150 -8.132 1.00 4.30 O ATOM 0 H ASP A 43 17.789 8.441 -3.388 1.00 1.82 H new ATOM 0 HA ASP A 43 18.124 10.153 -5.792 1.00 2.08 H new ATOM 0 HB2 ASP A 43 19.409 8.057 -5.700 1.00 2.15 H new ATOM 0 HB3 ASP A 43 17.958 7.152 -5.317 1.00 2.15 H new ATOM 620 N CYS A 44 15.578 8.278 -4.808 1.00 1.76 N ATOM 621 CA CYS A 44 14.171 7.952 -4.785 1.00 1.71 C ATOM 622 C CYS A 44 13.847 7.069 -5.998 1.00 1.69 C ATOM 623 O CYS A 44 13.080 7.464 -6.876 1.00 2.31 O ATOM 624 CB CYS A 44 13.252 9.169 -4.537 1.00 1.79 C ATOM 625 SG CYS A 44 12.210 8.986 -3.065 1.00 2.09 S ATOM 0 H CYS A 44 16.115 7.645 -4.215 1.00 1.76 H new ATOM 0 HA CYS A 44 13.941 7.354 -3.903 1.00 1.71 H new ATOM 0 HB2 CYS A 44 13.865 10.064 -4.432 1.00 1.79 H new ATOM 0 HB3 CYS A 44 12.615 9.320 -5.409 1.00 1.79 H new ATOM 630 N ASN A 45 14.398 5.849 -6.034 1.00 1.97 N ATOM 631 CA ASN A 45 14.330 4.917 -7.174 1.00 2.49 C ATOM 632 C ASN A 45 13.083 4.025 -7.125 1.00 2.30 C ATOM 633 O ASN A 45 12.815 3.399 -6.101 1.00 2.90 O ATOM 634 CB ASN A 45 15.531 3.961 -7.163 1.00 3.24 C ATOM 635 CG ASN A 45 16.857 4.572 -7.584 1.00 4.29 C ATOM 636 OD1 ASN A 45 17.763 4.733 -6.767 1.00 5.89 O ATOM 637 ND2 ASN A 45 17.028 4.814 -8.875 1.00 4.12 N ATOM 0 H ASN A 45 14.921 5.468 -5.246 1.00 1.97 H new ATOM 0 HA ASN A 45 14.313 5.544 -8.065 1.00 2.49 H new ATOM 0 HB2 ASN A 45 15.641 3.555 -6.157 1.00 3.24 H new ATOM 0 HB3 ASN A 45 15.311 3.122 -7.823 1.00 3.24 H new ATOM 0 HD21 ASN A 45 17.931 5.144 -9.217 1.00 4.12 H new ATOM 0 HD22 ASN A 45 16.257 4.671 -9.527 1.00 4.12 H new ATOM 644 N LEU A 46 12.275 3.918 -8.184 1.00 2.04 N ATOM 645 CA LEU A 46 11.149 2.975 -8.228 1.00 1.89 C ATOM 646 C LEU A 46 11.665 1.536 -8.426 1.00 2.08 C ATOM 647 O LEU A 46 11.593 1.001 -9.532 1.00 2.45 O ATOM 648 CB LEU A 46 10.112 3.357 -9.315 1.00 2.05 C ATOM 649 CG LEU A 46 9.190 4.570 -9.054 1.00 1.86 C ATOM 650 CD1 LEU A 46 8.145 4.683 -10.169 1.00 2.20 C ATOM 651 CD2 LEU A 46 8.360 4.504 -7.767 1.00 1.60 C ATOM 0 H LEU A 46 12.380 4.478 -9.030 1.00 2.04 H new ATOM 0 HA LEU A 46 10.632 3.029 -7.270 1.00 1.89 H new ATOM 0 HB2 LEU A 46 10.655 3.545 -10.241 1.00 2.05 H new ATOM 0 HB3 LEU A 46 9.477 2.488 -9.489 1.00 2.05 H new ATOM 0 HG LEU A 46 9.886 5.407 -8.991 1.00 1.86 H new ATOM 0 HD11 LEU A 46 7.500 5.540 -9.977 1.00 2.20 H new ATOM 0 HD12 LEU A 46 8.648 4.815 -11.127 1.00 2.20 H new ATOM 0 HD13 LEU A 46 7.543 3.775 -10.197 1.00 2.20 H new ATOM 0 HD21 LEU A 46 7.750 5.403 -7.681 1.00 1.60 H new ATOM 0 HD22 LEU A 46 7.713 3.627 -7.796 1.00 1.60 H new ATOM 0 HD23 LEU A 46 9.027 4.435 -6.907 1.00 1.60 H new ATOM 718 N ALA A 51 8.865 -9.030 -6.259 1.00 2.14 N ATOM 719 CA ALA A 51 7.539 -9.604 -6.108 1.00 1.77 C ATOM 720 C ALA A 51 6.856 -9.028 -4.873 1.00 1.62 C ATOM 721 O ALA A 51 7.510 -8.800 -3.857 1.00 2.84 O ATOM 722 CB ALA A 51 7.625 -11.130 -6.012 1.00 2.25 C ATOM 0 HA ALA A 51 6.945 -9.349 -6.985 1.00 1.77 H new ATOM 0 HB1 ALA A 51 6.623 -11.544 -5.899 1.00 2.25 H new ATOM 0 HB2 ALA A 51 8.082 -11.526 -6.919 1.00 2.25 H new ATOM 0 HB3 ALA A 51 8.231 -11.407 -5.150 1.00 2.25 H new ATOM 728 N GLY A 52 5.542 -8.843 -4.963 1.00 0.93 N ATOM 729 CA GLY A 52 4.669 -8.510 -3.856 1.00 0.65 C ATOM 730 C GLY A 52 4.531 -7.013 -3.625 1.00 0.64 C ATOM 731 O GLY A 52 4.114 -6.633 -2.537 1.00 1.36 O ATOM 0 H GLY A 52 5.042 -8.926 -5.848 1.00 0.93 H new ATOM 0 HA2 GLY A 52 3.682 -8.934 -4.041 1.00 0.65 H new ATOM 0 HA3 GLY A 52 5.051 -8.977 -2.948 1.00 0.65 H new ATOM 735 N GLU A 53 4.821 -6.177 -4.628 1.00 0.66 N ATOM 736 CA GLU A 53 4.962 -4.732 -4.446 1.00 0.78 C ATOM 737 C GLU A 53 4.161 -3.919 -5.488 1.00 0.83 C ATOM 738 O GLU A 53 3.880 -4.390 -6.601 1.00 0.97 O ATOM 739 CB GLU A 53 6.454 -4.395 -4.477 1.00 0.97 C ATOM 740 CG GLU A 53 6.975 -3.904 -3.121 1.00 1.18 C ATOM 741 CD GLU A 53 6.797 -2.400 -3.004 1.00 2.73 C ATOM 742 OE1 GLU A 53 5.637 -1.942 -3.098 1.00 4.21 O ATOM 743 OE2 GLU A 53 7.839 -1.719 -2.918 1.00 3.58 O ATOM 0 H GLU A 53 4.964 -6.486 -5.589 1.00 0.66 H new ATOM 0 HA GLU A 53 4.538 -4.448 -3.483 1.00 0.78 H new ATOM 0 HB2 GLU A 53 7.016 -5.278 -4.780 1.00 0.97 H new ATOM 0 HB3 GLU A 53 6.634 -3.628 -5.231 1.00 0.97 H new ATOM 0 HG2 GLU A 53 6.439 -4.405 -2.314 1.00 1.18 H new ATOM 0 HG3 GLU A 53 8.028 -4.162 -3.013 1.00 1.18 H new ATOM 750 N ASN A 54 3.810 -2.683 -5.123 1.00 0.90 N ATOM 751 CA ASN A 54 3.003 -1.724 -5.878 1.00 0.78 C ATOM 752 C ASN A 54 3.334 -0.310 -5.422 1.00 0.84 C ATOM 753 O ASN A 54 2.906 0.140 -4.367 1.00 1.34 O ATOM 754 CB ASN A 54 1.483 -1.941 -5.769 1.00 0.90 C ATOM 755 CG ASN A 54 0.937 -2.225 -4.371 1.00 1.49 C ATOM 756 OD1 ASN A 54 1.635 -2.180 -3.370 1.00 3.21 O ATOM 757 ND2 ASN A 54 -0.336 -2.591 -4.295 1.00 1.51 N ATOM 0 H ASN A 54 4.105 -2.299 -4.225 1.00 0.90 H new ATOM 0 HA ASN A 54 3.261 -1.881 -6.925 1.00 0.78 H new ATOM 0 HB2 ASN A 54 0.982 -1.054 -6.158 1.00 0.90 H new ATOM 0 HB3 ASN A 54 1.209 -2.772 -6.418 1.00 0.90 H new ATOM 0 HD21 ASN A 54 -0.742 -2.839 -3.393 1.00 1.51 H new ATOM 0 HD22 ASN A 54 -0.908 -2.624 -5.139 1.00 1.51 H new ATOM 764 N LEU A 55 4.037 0.437 -6.270 1.00 0.83 N ATOM 765 CA LEU A 55 4.540 1.739 -5.874 1.00 0.80 C ATOM 766 C LEU A 55 3.579 2.850 -6.268 1.00 0.71 C ATOM 767 O LEU A 55 2.660 2.651 -7.076 1.00 0.66 O ATOM 768 CB LEU A 55 5.891 2.004 -6.544 1.00 0.94 C ATOM 769 CG LEU A 55 6.913 0.896 -6.291 1.00 0.96 C ATOM 770 CD1 LEU A 55 8.284 1.305 -6.823 1.00 0.98 C ATOM 771 CD2 LEU A 55 7.056 0.608 -4.801 1.00 0.93 C ATOM 0 H LEU A 55 4.267 0.162 -7.225 1.00 0.83 H new ATOM 0 HA LEU A 55 4.648 1.732 -4.789 1.00 0.80 H new ATOM 0 HB2 LEU A 55 5.742 2.114 -7.618 1.00 0.94 H new ATOM 0 HB3 LEU A 55 6.292 2.950 -6.179 1.00 0.94 H new ATOM 0 HG LEU A 55 6.554 0.004 -6.805 1.00 0.96 H new ATOM 0 HD11 LEU A 55 9.001 0.505 -6.635 1.00 0.98 H new ATOM 0 HD12 LEU A 55 8.218 1.489 -7.895 1.00 0.98 H new ATOM 0 HD13 LEU A 55 8.614 2.213 -6.319 1.00 0.98 H new ATOM 0 HD21 LEU A 55 7.790 -0.184 -4.652 1.00 0.93 H new ATOM 0 HD22 LEU A 55 7.387 1.510 -4.286 1.00 0.93 H new ATOM 0 HD23 LEU A 55 6.094 0.292 -4.398 1.00 0.93 H new ATOM 783 N ALA A 56 3.869 4.038 -5.733 1.00 0.77 N ATOM 784 CA ALA A 56 3.329 5.317 -6.144 1.00 0.71 C ATOM 785 C ALA A 56 4.380 6.394 -5.837 1.00 0.78 C ATOM 786 O ALA A 56 5.210 6.208 -4.944 1.00 1.05 O ATOM 787 CB ALA A 56 2.026 5.569 -5.385 1.00 0.64 C ATOM 0 H ALA A 56 4.525 4.128 -4.958 1.00 0.77 H new ATOM 0 HA ALA A 56 3.106 5.336 -7.211 1.00 0.71 H new ATOM 0 HB1 ALA A 56 1.609 6.530 -5.686 1.00 0.64 H new ATOM 0 HB2 ALA A 56 1.313 4.777 -5.613 1.00 0.64 H new ATOM 0 HB3 ALA A 56 2.225 5.580 -4.313 1.00 0.64 H new ATOM 793 N LYS A 57 4.359 7.511 -6.567 1.00 0.78 N ATOM 794 CA LYS A 57 5.143 8.701 -6.248 1.00 0.80 C ATOM 795 C LYS A 57 4.332 9.945 -6.626 1.00 1.22 C ATOM 796 O LYS A 57 3.621 9.907 -7.633 1.00 1.81 O ATOM 797 CB LYS A 57 6.515 8.658 -6.946 1.00 1.03 C ATOM 798 CG LYS A 57 6.440 8.608 -8.483 1.00 1.58 C ATOM 799 CD LYS A 57 7.853 8.558 -9.089 1.00 2.42 C ATOM 800 CE LYS A 57 7.800 8.712 -10.619 1.00 2.70 C ATOM 801 NZ LYS A 57 9.127 8.594 -11.265 1.00 4.08 N ATOM 0 H LYS A 57 3.789 7.614 -7.407 1.00 0.78 H new ATOM 0 HA LYS A 57 5.347 8.737 -5.178 1.00 0.80 H new ATOM 0 HB2 LYS A 57 7.088 9.536 -6.650 1.00 1.03 H new ATOM 0 HB3 LYS A 57 7.063 7.785 -6.592 1.00 1.03 H new ATOM 0 HG2 LYS A 57 5.872 7.732 -8.797 1.00 1.58 H new ATOM 0 HG3 LYS A 57 5.909 9.484 -8.856 1.00 1.58 H new ATOM 0 HD2 LYS A 57 8.465 9.352 -8.661 1.00 2.42 H new ATOM 0 HD3 LYS A 57 8.330 7.613 -8.831 1.00 2.42 H new ATOM 0 HE2 LYS A 57 7.134 7.954 -11.031 1.00 2.70 H new ATOM 0 HE3 LYS A 57 7.369 9.682 -10.865 1.00 2.70 H new ATOM 0 HZ1 LYS A 57 9.024 8.707 -12.294 1.00 4.08 H new ATOM 0 HZ2 LYS A 57 9.759 9.334 -10.897 1.00 4.08 H new ATOM 0 HZ3 LYS A 57 9.532 7.659 -11.058 1.00 4.08 H new ATOM 815 N GLY A 58 4.397 11.023 -5.844 1.00 1.04 N ATOM 816 CA GLY A 58 3.649 12.241 -6.137 1.00 1.42 C ATOM 817 C GLY A 58 4.190 13.415 -5.325 1.00 1.00 C ATOM 818 O GLY A 58 4.687 13.212 -4.219 1.00 1.62 O ATOM 0 H GLY A 58 4.965 11.075 -4.998 1.00 1.04 H new ATOM 0 HA2 GLY A 58 3.715 12.467 -7.201 1.00 1.42 H new ATOM 0 HA3 GLY A 58 2.594 12.090 -5.908 1.00 1.42 H new ATOM 822 N GLY A 59 4.134 14.625 -5.881 1.00 1.94 N ATOM 823 CA GLY A 59 4.734 15.808 -5.290 1.00 1.83 C ATOM 824 C GLY A 59 3.960 16.333 -4.088 1.00 1.52 C ATOM 825 O GLY A 59 4.536 16.529 -3.018 1.00 2.29 O ATOM 0 H GLY A 59 3.663 14.807 -6.767 1.00 1.94 H new ATOM 0 HA2 GLY A 59 5.754 15.577 -4.985 1.00 1.83 H new ATOM 0 HA3 GLY A 59 4.797 16.592 -6.045 1.00 1.83 H new ATOM 829 N GLY A 60 2.659 16.586 -4.248 1.00 1.77 N ATOM 830 CA GLY A 60 1.832 17.049 -3.140 1.00 1.87 C ATOM 831 C GLY A 60 1.769 15.996 -2.037 1.00 1.79 C ATOM 832 O GLY A 60 2.259 14.882 -2.235 1.00 2.70 O ATOM 0 H GLY A 60 2.161 16.478 -5.131 1.00 1.77 H new ATOM 0 HA2 GLY A 60 2.238 17.978 -2.740 1.00 1.87 H new ATOM 0 HA3 GLY A 60 0.826 17.269 -3.498 1.00 1.87 H new ATOM 836 N ASP A 61 1.169 16.340 -0.893 1.00 1.61 N ATOM 837 CA ASP A 61 1.024 15.474 0.276 1.00 1.85 C ATOM 838 C ASP A 61 0.303 14.175 -0.088 1.00 1.54 C ATOM 839 O ASP A 61 -0.898 14.014 0.098 1.00 1.61 O ATOM 840 CB ASP A 61 0.383 16.208 1.467 1.00 2.44 C ATOM 841 CG ASP A 61 -1.033 16.680 1.213 1.00 2.57 C ATOM 842 OD1 ASP A 61 -1.154 17.801 0.677 1.00 3.01 O ATOM 843 OD2 ASP A 61 -1.989 15.984 1.610 1.00 3.20 O ATOM 0 H ASP A 61 0.757 17.263 -0.753 1.00 1.61 H new ATOM 0 HA ASP A 61 2.023 15.195 0.610 1.00 1.85 H new ATOM 0 HB2 ASP A 61 0.384 15.545 2.332 1.00 2.44 H new ATOM 0 HB3 ASP A 61 1.001 17.068 1.725 1.00 2.44 H new ATOM 848 N PHE A 62 1.048 13.226 -0.640 1.00 1.39 N ATOM 849 CA PHE A 62 0.468 12.020 -1.186 1.00 1.19 C ATOM 850 C PHE A 62 0.022 11.165 -0.014 1.00 0.91 C ATOM 851 O PHE A 62 0.861 10.692 0.753 1.00 1.26 O ATOM 852 CB PHE A 62 1.501 11.285 -2.042 1.00 1.37 C ATOM 853 CG PHE A 62 0.985 10.204 -2.966 1.00 1.27 C ATOM 854 CD1 PHE A 62 -0.384 9.879 -3.062 1.00 1.70 C ATOM 855 CD2 PHE A 62 1.904 9.600 -3.838 1.00 2.24 C ATOM 856 CE1 PHE A 62 -0.829 9.006 -4.064 1.00 1.63 C ATOM 857 CE2 PHE A 62 1.449 8.757 -4.860 1.00 2.29 C ATOM 858 CZ PHE A 62 0.083 8.458 -4.975 1.00 1.27 C ATOM 0 H PHE A 62 2.064 13.276 -0.719 1.00 1.39 H new ATOM 0 HA PHE A 62 -0.383 12.248 -1.828 1.00 1.19 H new ATOM 0 HB2 PHE A 62 2.027 12.024 -2.646 1.00 1.37 H new ATOM 0 HB3 PHE A 62 2.237 10.837 -1.374 1.00 1.37 H new ATOM 0 HD1 PHE A 62 -1.090 10.303 -2.363 1.00 1.70 H new ATOM 0 HD2 PHE A 62 2.962 9.785 -3.721 1.00 2.24 H new ATOM 0 HE1 PHE A 62 -1.877 8.755 -4.134 1.00 1.63 H new ATOM 0 HE2 PHE A 62 2.153 8.335 -5.562 1.00 2.29 H new ATOM 0 HZ PHE A 62 -0.264 7.807 -5.764 1.00 1.27 H new ATOM 868 N THR A 63 -1.276 11.003 0.177 1.00 0.86 N ATOM 869 CA THR A 63 -1.826 10.121 1.174 1.00 0.70 C ATOM 870 C THR A 63 -1.813 8.676 0.673 1.00 0.83 C ATOM 871 O THR A 63 -2.098 8.400 -0.492 1.00 1.62 O ATOM 872 CB THR A 63 -3.210 10.662 1.538 1.00 0.62 C ATOM 873 OG1 THR A 63 -3.845 11.257 0.420 1.00 1.13 O ATOM 874 CG2 THR A 63 -3.012 11.728 2.609 1.00 1.11 C ATOM 0 H THR A 63 -1.984 11.493 -0.370 1.00 0.86 H new ATOM 0 HA THR A 63 -1.227 10.096 2.084 1.00 0.70 H new ATOM 0 HB THR A 63 -3.838 9.842 1.885 1.00 0.62 H new ATOM 0 HG1 THR A 63 -3.643 12.216 0.401 1.00 1.13 H new ATOM 0 HG21 THR A 63 -3.980 12.139 2.896 1.00 1.11 H new ATOM 0 HG22 THR A 63 -2.534 11.283 3.481 1.00 1.11 H new ATOM 0 HG23 THR A 63 -2.381 12.525 2.217 1.00 1.11 H new ATOM 882 N GLY A 64 -1.462 7.738 1.554 1.00 0.62 N ATOM 883 CA GLY A 64 -1.381 6.331 1.195 1.00 0.62 C ATOM 884 C GLY A 64 -2.747 5.848 0.713 1.00 0.53 C ATOM 885 O GLY A 64 -2.851 5.157 -0.296 1.00 0.47 O ATOM 0 H GLY A 64 -1.229 7.935 2.527 1.00 0.62 H new ATOM 0 HA2 GLY A 64 -0.636 6.187 0.413 1.00 0.62 H new ATOM 0 HA3 GLY A 64 -1.058 5.744 2.055 1.00 0.62 H new ATOM 889 N ARG A 65 -3.811 6.278 1.393 1.00 0.58 N ATOM 890 CA ARG A 65 -5.175 6.031 0.954 1.00 0.56 C ATOM 891 C ARG A 65 -5.349 6.431 -0.516 1.00 0.47 C ATOM 892 O ARG A 65 -5.844 5.652 -1.331 1.00 0.43 O ATOM 893 CB ARG A 65 -6.140 6.796 1.869 1.00 0.72 C ATOM 894 CG ARG A 65 -7.577 6.678 1.365 1.00 0.81 C ATOM 895 CD ARG A 65 -8.600 6.835 2.492 1.00 1.34 C ATOM 896 NE ARG A 65 -9.960 6.855 1.933 1.00 1.66 N ATOM 897 CZ ARG A 65 -10.486 7.896 1.270 1.00 2.54 C ATOM 898 NH1 ARG A 65 -9.886 9.086 1.280 1.00 3.60 N ATOM 899 NH2 ARG A 65 -11.591 7.731 0.552 1.00 3.34 N ATOM 0 H ARG A 65 -3.746 6.807 2.263 1.00 0.58 H new ATOM 0 HA ARG A 65 -5.399 4.967 1.023 1.00 0.56 H new ATOM 0 HB2 ARG A 65 -6.073 6.404 2.884 1.00 0.72 H new ATOM 0 HB3 ARG A 65 -5.851 7.846 1.913 1.00 0.72 H new ATOM 0 HG2 ARG A 65 -7.757 7.438 0.605 1.00 0.81 H new ATOM 0 HG3 ARG A 65 -7.713 5.709 0.885 1.00 0.81 H new ATOM 0 HD2 ARG A 65 -8.501 6.014 3.202 1.00 1.34 H new ATOM 0 HD3 ARG A 65 -8.410 7.757 3.042 1.00 1.34 H new ATOM 0 HE ARG A 65 -10.540 6.025 2.057 1.00 1.66 H new ATOM 0 HH11 ARG A 65 -9.016 9.214 1.796 1.00 3.60 H new ATOM 0 HH12 ARG A 65 -10.297 9.869 0.771 1.00 3.60 H new ATOM 0 HH21 ARG A 65 -12.037 6.815 0.506 1.00 3.34 H new ATOM 0 HH22 ARG A 65 -11.994 8.520 0.047 1.00 3.34 H new ATOM 913 N ALA A 66 -4.938 7.654 -0.851 1.00 0.48 N ATOM 914 CA ALA A 66 -5.046 8.173 -2.204 1.00 0.50 C ATOM 915 C ALA A 66 -4.190 7.354 -3.175 1.00 0.42 C ATOM 916 O ALA A 66 -4.556 7.207 -4.341 1.00 0.49 O ATOM 917 CB ALA A 66 -4.679 9.656 -2.230 1.00 0.63 C ATOM 0 H ALA A 66 -4.522 8.308 -0.188 1.00 0.48 H new ATOM 0 HA ALA A 66 -6.080 8.080 -2.536 1.00 0.50 H new ATOM 0 HB1 ALA A 66 -4.764 10.034 -3.249 1.00 0.63 H new ATOM 0 HB2 ALA A 66 -5.356 10.210 -1.580 1.00 0.63 H new ATOM 0 HB3 ALA A 66 -3.655 9.784 -1.880 1.00 0.63 H new ATOM 923 N ALA A 67 -3.054 6.819 -2.720 1.00 0.40 N ATOM 924 CA ALA A 67 -2.251 5.913 -3.529 1.00 0.47 C ATOM 925 C ALA A 67 -3.062 4.665 -3.874 1.00 0.42 C ATOM 926 O ALA A 67 -3.220 4.351 -5.052 1.00 0.51 O ATOM 927 CB ALA A 67 -0.924 5.572 -2.841 1.00 0.59 C ATOM 0 H ALA A 67 -2.673 7.002 -1.792 1.00 0.40 H new ATOM 0 HA ALA A 67 -1.991 6.413 -4.462 1.00 0.47 H new ATOM 0 HB1 ALA A 67 -0.350 4.894 -3.473 1.00 0.59 H new ATOM 0 HB2 ALA A 67 -0.353 6.486 -2.678 1.00 0.59 H new ATOM 0 HB3 ALA A 67 -1.124 5.093 -1.882 1.00 0.59 H new ATOM 933 N VAL A 68 -3.622 3.969 -2.883 1.00 0.34 N ATOM 934 CA VAL A 68 -4.438 2.788 -3.164 1.00 0.30 C ATOM 935 C VAL A 68 -5.551 3.151 -4.145 1.00 0.30 C ATOM 936 O VAL A 68 -5.761 2.473 -5.148 1.00 0.33 O ATOM 937 CB VAL A 68 -5.024 2.166 -1.888 1.00 0.30 C ATOM 938 CG1 VAL A 68 -5.722 0.846 -2.247 1.00 0.30 C ATOM 939 CG2 VAL A 68 -3.925 1.871 -0.868 1.00 0.40 C ATOM 0 H VAL A 68 -3.528 4.198 -1.894 1.00 0.34 H new ATOM 0 HA VAL A 68 -3.789 2.036 -3.612 1.00 0.30 H new ATOM 0 HB VAL A 68 -5.730 2.874 -1.454 1.00 0.30 H new ATOM 0 HG11 VAL A 68 -6.140 0.399 -1.345 1.00 0.30 H new ATOM 0 HG12 VAL A 68 -6.522 1.040 -2.961 1.00 0.30 H new ATOM 0 HG13 VAL A 68 -4.999 0.161 -2.690 1.00 0.30 H new ATOM 0 HG21 VAL A 68 -4.367 1.431 0.026 1.00 0.40 H new ATOM 0 HG22 VAL A 68 -3.207 1.173 -1.299 1.00 0.40 H new ATOM 0 HG23 VAL A 68 -3.416 2.798 -0.603 1.00 0.40 H new ATOM 949 N GLN A 69 -6.252 4.244 -3.870 1.00 0.35 N ATOM 950 CA GLN A 69 -7.260 4.776 -4.767 1.00 0.45 C ATOM 951 C GLN A 69 -6.713 4.966 -6.190 1.00 0.52 C ATOM 952 O GLN A 69 -7.405 4.651 -7.157 1.00 0.59 O ATOM 953 CB GLN A 69 -7.805 6.075 -4.161 1.00 0.52 C ATOM 954 CG GLN A 69 -8.919 5.798 -3.140 1.00 0.58 C ATOM 955 CD GLN A 69 -10.253 5.481 -3.813 1.00 1.53 C ATOM 956 OE1 GLN A 69 -10.336 5.397 -5.037 1.00 2.77 O ATOM 957 NE2 GLN A 69 -11.311 5.305 -3.036 1.00 2.45 N ATOM 0 H GLN A 69 -6.134 4.786 -3.014 1.00 0.35 H new ATOM 0 HA GLN A 69 -8.079 4.065 -4.870 1.00 0.45 H new ATOM 0 HB2 GLN A 69 -6.994 6.620 -3.677 1.00 0.52 H new ATOM 0 HB3 GLN A 69 -8.189 6.715 -4.955 1.00 0.52 H new ATOM 0 HG2 GLN A 69 -8.627 4.962 -2.504 1.00 0.58 H new ATOM 0 HG3 GLN A 69 -9.039 6.666 -2.491 1.00 0.58 H new ATOM 0 HE21 GLN A 69 -11.218 5.380 -2.023 1.00 2.45 H new ATOM 0 HE22 GLN A 69 -12.219 5.095 -3.451 1.00 2.45 H new ATOM 966 N LEU A 70 -5.473 5.436 -6.354 1.00 0.56 N ATOM 967 CA LEU A 70 -4.931 5.662 -7.684 1.00 0.70 C ATOM 968 C LEU A 70 -4.746 4.294 -8.348 1.00 0.65 C ATOM 969 O LEU A 70 -4.956 4.128 -9.549 1.00 0.70 O ATOM 970 CB LEU A 70 -3.618 6.452 -7.563 1.00 0.81 C ATOM 971 CG LEU A 70 -2.761 6.499 -8.833 1.00 1.01 C ATOM 972 CD1 LEU A 70 -3.507 7.263 -9.929 1.00 2.30 C ATOM 973 CD2 LEU A 70 -1.453 7.230 -8.512 1.00 1.68 C ATOM 0 H LEU A 70 -4.838 5.663 -5.589 1.00 0.56 H new ATOM 0 HA LEU A 70 -5.600 6.256 -8.306 1.00 0.70 H new ATOM 0 HB2 LEU A 70 -3.854 7.474 -7.266 1.00 0.81 H new ATOM 0 HB3 LEU A 70 -3.024 6.016 -6.760 1.00 0.81 H new ATOM 0 HG LEU A 70 -2.554 5.486 -9.178 1.00 1.01 H new ATOM 0 HD11 LEU A 70 -2.896 7.295 -10.831 1.00 2.30 H new ATOM 0 HD12 LEU A 70 -4.449 6.760 -10.147 1.00 2.30 H new ATOM 0 HD13 LEU A 70 -3.709 8.280 -9.591 1.00 2.30 H new ATOM 0 HD21 LEU A 70 -0.831 7.272 -9.406 1.00 1.68 H new ATOM 0 HD22 LEU A 70 -1.675 8.243 -8.176 1.00 1.68 H new ATOM 0 HD23 LEU A 70 -0.921 6.695 -7.725 1.00 1.68 H new ATOM 985 N TRP A 71 -4.358 3.287 -7.569 1.00 0.57 N ATOM 986 CA TRP A 71 -4.151 1.937 -8.067 1.00 0.56 C ATOM 987 C TRP A 71 -5.477 1.331 -8.525 1.00 0.51 C ATOM 988 O TRP A 71 -5.552 0.709 -9.583 1.00 0.68 O ATOM 989 CB TRP A 71 -3.455 1.085 -7.000 1.00 0.54 C ATOM 990 CG TRP A 71 -2.213 1.677 -6.412 1.00 0.57 C ATOM 991 CD1 TRP A 71 -1.552 2.761 -6.874 1.00 0.69 C ATOM 992 CD2 TRP A 71 -1.528 1.288 -5.187 1.00 0.53 C ATOM 993 NE1 TRP A 71 -0.557 3.096 -5.994 1.00 0.59 N ATOM 994 CE2 TRP A 71 -0.465 2.205 -4.948 1.00 0.52 C ATOM 995 CE3 TRP A 71 -1.718 0.269 -4.237 1.00 0.62 C ATOM 996 CZ2 TRP A 71 0.379 2.101 -3.835 1.00 0.60 C ATOM 997 CZ3 TRP A 71 -0.872 0.147 -3.124 1.00 0.75 C ATOM 998 CH2 TRP A 71 0.210 1.023 -2.955 1.00 0.81 C ATOM 0 H TRP A 71 -4.179 3.389 -6.570 1.00 0.57 H new ATOM 0 HA TRP A 71 -3.496 1.965 -8.938 1.00 0.56 H new ATOM 0 HB2 TRP A 71 -4.163 0.895 -6.193 1.00 0.54 H new ATOM 0 HB3 TRP A 71 -3.204 0.119 -7.438 1.00 0.54 H new ATOM 0 HD1 TRP A 71 -1.774 3.282 -7.794 1.00 0.69 H new ATOM 0 HE1 TRP A 71 0.046 3.911 -6.101 1.00 0.59 H new ATOM 0 HE3 TRP A 71 -2.529 -0.432 -4.366 1.00 0.62 H new ATOM 0 HZ2 TRP A 71 1.147 2.839 -3.658 1.00 0.60 H new ATOM 0 HZ3 TRP A 71 -1.055 -0.626 -2.393 1.00 0.75 H new ATOM 0 HH2 TRP A 71 0.911 0.867 -2.149 1.00 0.81 H new ATOM 1009 N VAL A 72 -6.533 1.545 -7.746 1.00 0.42 N ATOM 1010 CA VAL A 72 -7.881 1.127 -8.100 1.00 0.43 C ATOM 1011 C VAL A 72 -8.373 1.845 -9.365 1.00 0.55 C ATOM 1012 O VAL A 72 -9.355 1.414 -9.958 1.00 0.65 O ATOM 1013 CB VAL A 72 -8.809 1.299 -6.879 1.00 0.42 C ATOM 1014 CG1 VAL A 72 -10.289 1.019 -7.170 1.00 0.45 C ATOM 1015 CG2 VAL A 72 -8.388 0.327 -5.769 1.00 0.46 C ATOM 0 H VAL A 72 -6.474 2.018 -6.844 1.00 0.42 H new ATOM 0 HA VAL A 72 -7.887 0.068 -8.358 1.00 0.43 H new ATOM 0 HB VAL A 72 -8.709 2.345 -6.589 1.00 0.42 H new ATOM 0 HG11 VAL A 72 -10.872 1.162 -6.260 1.00 0.45 H new ATOM 0 HG12 VAL A 72 -10.644 1.703 -7.940 1.00 0.45 H new ATOM 0 HG13 VAL A 72 -10.404 -0.008 -7.516 1.00 0.45 H new ATOM 0 HG21 VAL A 72 -9.045 0.451 -4.908 1.00 0.46 H new ATOM 0 HG22 VAL A 72 -8.459 -0.697 -6.136 1.00 0.46 H new ATOM 0 HG23 VAL A 72 -7.360 0.536 -5.473 1.00 0.46 H new ATOM 1025 N SER A 73 -7.697 2.895 -9.839 1.00 0.67 N ATOM 1026 CA SER A 73 -8.125 3.632 -11.019 1.00 0.77 C ATOM 1027 C SER A 73 -8.076 2.801 -12.317 1.00 0.71 C ATOM 1028 O SER A 73 -8.509 3.288 -13.359 1.00 0.85 O ATOM 1029 CB SER A 73 -7.341 4.950 -11.119 1.00 1.00 C ATOM 1030 OG SER A 73 -7.995 5.901 -11.936 1.00 2.19 O ATOM 0 H SER A 73 -6.842 3.253 -9.414 1.00 0.67 H new ATOM 0 HA SER A 73 -9.182 3.869 -10.897 1.00 0.77 H new ATOM 0 HB2 SER A 73 -7.203 5.365 -10.121 1.00 1.00 H new ATOM 0 HB3 SER A 73 -6.348 4.750 -11.521 1.00 1.00 H new ATOM 0 HG SER A 73 -8.422 5.445 -12.691 1.00 2.19 H new ATOM 1036 N GLU A 74 -7.598 1.552 -12.305 1.00 0.75 N ATOM 1037 CA GLU A 74 -7.891 0.589 -13.365 1.00 0.83 C ATOM 1038 C GLU A 74 -9.331 0.037 -13.295 1.00 0.76 C ATOM 1039 O GLU A 74 -9.693 -0.872 -14.031 1.00 1.04 O ATOM 1040 CB GLU A 74 -6.734 -0.427 -13.461 1.00 1.02 C ATOM 1041 CG GLU A 74 -7.008 -1.807 -12.846 1.00 3.03 C ATOM 1042 CD GLU A 74 -7.433 -2.926 -13.783 1.00 4.89 C ATOM 1043 OE1 GLU A 74 -7.543 -2.677 -14.999 1.00 5.53 O ATOM 1044 OE2 GLU A 74 -7.561 -4.055 -13.261 1.00 6.18 O ATOM 0 H GLU A 74 -7.001 1.185 -11.564 1.00 0.75 H new ATOM 0 HA GLU A 74 -7.915 1.080 -14.338 1.00 0.83 H new ATOM 0 HB2 GLU A 74 -6.480 -0.562 -14.512 1.00 1.02 H new ATOM 0 HB3 GLU A 74 -5.858 0.000 -12.973 1.00 1.02 H new ATOM 0 HG2 GLU A 74 -6.105 -2.129 -12.328 1.00 3.03 H new ATOM 0 HG3 GLU A 74 -7.785 -1.689 -12.090 1.00 3.03 H new ATOM 1051 N ARG A 75 -10.200 0.604 -12.451 1.00 0.65 N ATOM 1052 CA ARG A 75 -11.584 0.170 -12.331 1.00 0.74 C ATOM 1053 C ARG A 75 -12.330 -0.009 -13.662 1.00 0.95 C ATOM 1054 O ARG A 75 -13.082 -0.981 -13.778 1.00 1.28 O ATOM 1055 CB ARG A 75 -12.362 1.014 -11.312 1.00 0.84 C ATOM 1056 CG ARG A 75 -13.712 0.352 -10.994 1.00 0.98 C ATOM 1057 CD ARG A 75 -14.050 0.421 -9.501 1.00 1.44 C ATOM 1058 NE ARG A 75 -15.206 -0.434 -9.190 1.00 2.52 N ATOM 1059 CZ ARG A 75 -16.492 -0.120 -9.391 1.00 3.14 C ATOM 1060 NH1 ARG A 75 -16.828 1.132 -9.707 1.00 3.11 N ATOM 1061 NH2 ARG A 75 -17.421 -1.075 -9.313 1.00 4.72 N ATOM 0 H ARG A 75 -9.956 1.378 -11.833 1.00 0.65 H new ATOM 0 HA ARG A 75 -11.526 -0.844 -11.936 1.00 0.74 H new ATOM 0 HB2 ARG A 75 -11.778 1.123 -10.398 1.00 0.84 H new ATOM 0 HB3 ARG A 75 -12.525 2.016 -11.708 1.00 0.84 H new ATOM 0 HG2 ARG A 75 -14.499 0.842 -11.567 1.00 0.98 H new ATOM 0 HG3 ARG A 75 -13.688 -0.690 -11.312 1.00 0.98 H new ATOM 0 HD2 ARG A 75 -13.189 0.105 -8.913 1.00 1.44 H new ATOM 0 HD3 ARG A 75 -14.267 1.451 -9.219 1.00 1.44 H new ATOM 0 HE ARG A 75 -15.010 -1.349 -8.784 1.00 2.52 H new ATOM 0 HH11 ARG A 75 -16.106 1.847 -9.795 1.00 3.11 H new ATOM 0 HH12 ARG A 75 -17.807 1.374 -9.861 1.00 3.11 H new ATOM 0 HH21 ARG A 75 -17.149 -2.035 -9.102 1.00 4.72 H new ATOM 0 HH22 ARG A 75 -18.403 -0.845 -9.465 1.00 4.72 H new ATOM 1075 N PRO A 76 -12.173 0.885 -14.653 1.00 0.97 N ATOM 1076 CA PRO A 76 -12.717 0.662 -15.982 1.00 1.17 C ATOM 1077 C PRO A 76 -12.305 -0.697 -16.565 1.00 1.32 C ATOM 1078 O PRO A 76 -13.125 -1.370 -17.185 1.00 1.94 O ATOM 1079 CB PRO A 76 -12.191 1.814 -16.840 1.00 1.34 C ATOM 1080 CG PRO A 76 -11.950 2.937 -15.833 1.00 1.30 C ATOM 1081 CD PRO A 76 -11.489 2.170 -14.596 1.00 0.98 C ATOM 0 HA PRO A 76 -13.806 0.639 -15.953 1.00 1.17 H new ATOM 0 HB2 PRO A 76 -11.273 1.539 -17.360 1.00 1.34 H new ATOM 0 HB3 PRO A 76 -12.913 2.108 -17.602 1.00 1.34 H new ATOM 0 HG2 PRO A 76 -11.193 3.640 -16.181 1.00 1.30 H new ATOM 0 HG3 PRO A 76 -12.856 3.512 -15.641 1.00 1.30 H new ATOM 0 HD2 PRO A 76 -10.407 2.038 -14.597 1.00 0.98 H new ATOM 0 HD3 PRO A 76 -11.743 2.709 -13.683 1.00 0.98 H new ATOM 1089 N SER A 77 -11.036 -1.071 -16.399 1.00 1.09 N ATOM 1090 CA SER A 77 -10.395 -2.194 -17.056 1.00 1.24 C ATOM 1091 C SER A 77 -10.384 -3.478 -16.216 1.00 1.16 C ATOM 1092 O SER A 77 -10.172 -4.548 -16.783 1.00 1.31 O ATOM 1093 CB SER A 77 -8.988 -1.762 -17.487 1.00 1.46 C ATOM 1094 OG SER A 77 -8.466 -0.770 -16.617 1.00 1.57 O ATOM 0 H SER A 77 -10.404 -0.572 -15.773 1.00 1.09 H new ATOM 0 HA SER A 77 -10.984 -2.461 -17.934 1.00 1.24 H new ATOM 0 HB2 SER A 77 -8.326 -2.628 -17.495 1.00 1.46 H new ATOM 0 HB3 SER A 77 -9.020 -1.376 -18.506 1.00 1.46 H new ATOM 0 HG SER A 77 -7.919 -1.197 -15.925 1.00 1.57 H new ATOM 1100 N TYR A 78 -10.686 -3.438 -14.918 1.00 1.08 N ATOM 1101 CA TYR A 78 -10.934 -4.677 -14.186 1.00 1.10 C ATOM 1102 C TYR A 78 -12.393 -5.038 -14.443 1.00 1.08 C ATOM 1103 O TYR A 78 -13.234 -4.141 -14.521 1.00 1.23 O ATOM 1104 CB TYR A 78 -10.607 -4.534 -12.683 1.00 1.25 C ATOM 1105 CG TYR A 78 -11.724 -4.208 -11.715 1.00 1.10 C ATOM 1106 CD1 TYR A 78 -12.730 -5.157 -11.450 1.00 2.05 C ATOM 1107 CD2 TYR A 78 -11.594 -3.109 -10.852 1.00 1.85 C ATOM 1108 CE1 TYR A 78 -13.811 -4.817 -10.624 1.00 2.30 C ATOM 1109 CE2 TYR A 78 -12.617 -2.818 -9.940 1.00 2.19 C ATOM 1110 CZ TYR A 78 -13.770 -3.612 -9.906 1.00 1.91 C ATOM 1111 OH TYR A 78 -14.865 -3.144 -9.248 1.00 2.64 O ATOM 0 H TYR A 78 -10.763 -2.585 -14.365 1.00 1.08 H new ATOM 0 HA TYR A 78 -10.280 -5.478 -14.531 1.00 1.10 H new ATOM 0 HB2 TYR A 78 -10.151 -5.468 -12.356 1.00 1.25 H new ATOM 0 HB3 TYR A 78 -9.849 -3.757 -12.584 1.00 1.25 H new ATOM 0 HD1 TYR A 78 -12.669 -6.145 -11.882 1.00 2.05 H new ATOM 0 HD2 TYR A 78 -10.710 -2.490 -10.891 1.00 1.85 H new ATOM 0 HE1 TYR A 78 -14.664 -5.474 -10.541 1.00 2.30 H new ATOM 0 HE2 TYR A 78 -12.516 -1.982 -9.264 1.00 2.19 H new ATOM 0 HH TYR A 78 -15.529 -3.860 -9.167 1.00 2.64 H new ATOM 1121 N ASN A 79 -12.735 -6.327 -14.557 1.00 1.10 N ATOM 1122 CA ASN A 79 -14.147 -6.697 -14.568 1.00 1.24 C ATOM 1123 C ASN A 79 -14.380 -7.964 -13.767 1.00 1.48 C ATOM 1124 O ASN A 79 -14.728 -7.868 -12.595 1.00 3.26 O ATOM 1125 CB ASN A 79 -14.720 -6.770 -15.988 1.00 1.52 C ATOM 1126 CG ASN A 79 -16.179 -7.234 -15.972 1.00 1.86 C ATOM 1127 OD1 ASN A 79 -16.516 -8.253 -16.563 1.00 1.87 O ATOM 1128 ND2 ASN A 79 -17.069 -6.552 -15.256 1.00 3.06 N ATOM 0 H ASN A 79 -12.078 -7.103 -14.640 1.00 1.10 H new ATOM 0 HA ASN A 79 -14.704 -5.901 -14.074 1.00 1.24 H new ATOM 0 HB2 ASN A 79 -14.652 -5.791 -16.461 1.00 1.52 H new ATOM 0 HB3 ASN A 79 -14.124 -7.457 -16.589 1.00 1.52 H new ATOM 0 HD21 ASN A 79 -18.034 -6.877 -15.198 1.00 3.06 H new ATOM 0 HD22 ASN A 79 -16.786 -5.704 -14.765 1.00 3.06 H new ATOM 1135 N TYR A 80 -14.208 -9.116 -14.415 1.00 1.14 N ATOM 1136 CA TYR A 80 -14.362 -10.508 -13.997 1.00 1.19 C ATOM 1137 C TYR A 80 -14.553 -11.227 -15.336 1.00 1.59 C ATOM 1138 O TYR A 80 -13.679 -11.053 -16.182 1.00 2.51 O ATOM 1139 CB TYR A 80 -15.434 -10.780 -12.914 1.00 1.41 C ATOM 1140 CG TYR A 80 -15.040 -11.775 -11.835 1.00 1.27 C ATOM 1141 CD1 TYR A 80 -14.478 -13.025 -12.156 1.00 2.62 C ATOM 1142 CD2 TYR A 80 -15.229 -11.431 -10.482 1.00 1.50 C ATOM 1143 CE1 TYR A 80 -14.058 -13.893 -11.130 1.00 2.64 C ATOM 1144 CE2 TYR A 80 -14.863 -12.323 -9.463 1.00 1.65 C ATOM 1145 CZ TYR A 80 -14.265 -13.550 -9.782 1.00 1.49 C ATOM 1146 OH TYR A 80 -13.823 -14.379 -8.796 1.00 1.85 O ATOM 0 H TYR A 80 -13.913 -9.086 -15.391 1.00 1.14 H new ATOM 0 HA TYR A 80 -13.502 -10.879 -13.440 1.00 1.19 H new ATOM 0 HB2 TYR A 80 -15.689 -9.835 -12.435 1.00 1.41 H new ATOM 0 HB3 TYR A 80 -16.337 -11.143 -13.405 1.00 1.41 H new ATOM 0 HD1 TYR A 80 -14.369 -13.318 -13.190 1.00 2.62 H new ATOM 0 HD2 TYR A 80 -15.659 -10.473 -10.227 1.00 1.50 H new ATOM 0 HE1 TYR A 80 -13.575 -14.826 -11.379 1.00 2.64 H new ATOM 0 HE2 TYR A 80 -15.042 -12.064 -8.430 1.00 1.65 H new ATOM 0 HH TYR A 80 -14.045 -13.995 -7.922 1.00 1.85 H new ATOM 1156 N ALA A 81 -15.610 -12.017 -15.561 1.00 1.85 N ATOM 1157 CA ALA A 81 -16.113 -12.562 -16.807 1.00 2.06 C ATOM 1158 C ALA A 81 -15.324 -13.816 -17.106 1.00 2.19 C ATOM 1159 O ALA A 81 -15.824 -14.933 -17.159 1.00 2.46 O ATOM 1160 CB ALA A 81 -16.080 -11.529 -17.926 1.00 2.35 C ATOM 0 H ALA A 81 -16.192 -12.318 -14.779 1.00 1.85 H new ATOM 0 HA ALA A 81 -17.167 -12.827 -16.720 1.00 2.06 H new ATOM 0 HB1 ALA A 81 -16.464 -11.974 -18.844 1.00 2.35 H new ATOM 0 HB2 ALA A 81 -16.698 -10.674 -17.651 1.00 2.35 H new ATOM 0 HB3 ALA A 81 -15.054 -11.198 -18.086 1.00 2.35 H new ATOM 1166 N THR A 82 -14.038 -13.563 -17.238 1.00 2.17 N ATOM 1167 CA THR A 82 -12.985 -14.482 -17.572 1.00 2.42 C ATOM 1168 C THR A 82 -11.877 -14.363 -16.520 1.00 2.07 C ATOM 1169 O THR A 82 -10.788 -14.896 -16.708 1.00 2.31 O ATOM 1170 CB THR A 82 -12.535 -14.101 -18.988 1.00 2.84 C ATOM 1171 OG1 THR A 82 -12.104 -12.750 -19.020 1.00 2.83 O ATOM 1172 CG2 THR A 82 -13.744 -14.204 -19.924 1.00 3.22 C ATOM 0 H THR A 82 -13.677 -12.619 -17.100 1.00 2.17 H new ATOM 0 HA THR A 82 -13.292 -15.528 -17.567 1.00 2.42 H new ATOM 0 HB THR A 82 -11.724 -14.764 -19.290 1.00 2.84 H new ATOM 0 HG1 THR A 82 -11.818 -12.519 -19.928 1.00 2.83 H new ATOM 0 HG21 THR A 82 -13.444 -13.936 -20.937 1.00 3.22 H new ATOM 0 HG22 THR A 82 -14.124 -15.225 -19.916 1.00 3.22 H new ATOM 0 HG23 THR A 82 -14.525 -13.523 -19.586 1.00 3.22 H new ATOM 1180 N ASN A 83 -12.146 -13.650 -15.416 1.00 1.72 N ATOM 1181 CA ASN A 83 -11.218 -13.446 -14.311 1.00 1.51 C ATOM 1182 C ASN A 83 -9.911 -12.836 -14.822 1.00 1.45 C ATOM 1183 O ASN A 83 -8.824 -13.240 -14.411 1.00 1.70 O ATOM 1184 CB ASN A 83 -11.017 -14.785 -13.583 1.00 1.69 C ATOM 1185 CG ASN A 83 -10.156 -14.700 -12.330 1.00 1.65 C ATOM 1186 OD1 ASN A 83 -9.299 -15.555 -12.113 1.00 2.32 O ATOM 1187 ND2 ASN A 83 -10.420 -13.740 -11.459 1.00 1.59 N ATOM 0 H ASN A 83 -13.044 -13.189 -15.270 1.00 1.72 H new ATOM 0 HA ASN A 83 -11.623 -12.734 -13.592 1.00 1.51 H new ATOM 0 HB2 ASN A 83 -11.993 -15.186 -13.311 1.00 1.69 H new ATOM 0 HB3 ASN A 83 -10.562 -15.495 -14.274 1.00 1.69 H new ATOM 0 HD21 ASN A 83 -9.907 -13.695 -10.579 1.00 1.59 H new ATOM 0 HD22 ASN A 83 -11.137 -13.045 -11.668 1.00 1.59 H new ATOM 1194 N GLN A 84 -10.004 -11.861 -15.731 1.00 1.35 N ATOM 1195 CA GLN A 84 -8.852 -11.292 -16.412 1.00 1.44 C ATOM 1196 C GLN A 84 -9.119 -9.815 -16.643 1.00 1.39 C ATOM 1197 O GLN A 84 -10.266 -9.374 -16.630 1.00 1.82 O ATOM 1198 CB GLN A 84 -8.562 -12.005 -17.746 1.00 1.76 C ATOM 1199 CG GLN A 84 -7.849 -13.355 -17.584 1.00 3.03 C ATOM 1200 CD GLN A 84 -6.456 -13.190 -16.983 1.00 4.22 C ATOM 1201 OE1 GLN A 84 -5.515 -12.817 -17.675 1.00 4.62 O ATOM 1202 NE2 GLN A 84 -6.312 -13.422 -15.686 1.00 5.56 N ATOM 0 H GLN A 84 -10.892 -11.445 -16.013 1.00 1.35 H new ATOM 0 HA GLN A 84 -7.968 -11.426 -15.789 1.00 1.44 H new ATOM 0 HB2 GLN A 84 -9.502 -12.162 -18.275 1.00 1.76 H new ATOM 0 HB3 GLN A 84 -7.950 -11.354 -18.370 1.00 1.76 H new ATOM 0 HG2 GLN A 84 -8.445 -14.007 -16.946 1.00 3.03 H new ATOM 0 HG3 GLN A 84 -7.771 -13.844 -18.555 1.00 3.03 H new ATOM 0 HE21 GLN A 84 -7.110 -13.732 -15.132 1.00 5.56 H new ATOM 0 HE22 GLN A 84 -5.403 -13.291 -15.242 1.00 5.56 H new ATOM 1211 N CYS A 85 -8.041 -9.068 -16.861 1.00 1.33 N ATOM 1212 CA CYS A 85 -8.106 -7.647 -17.147 1.00 1.29 C ATOM 1213 C CYS A 85 -8.737 -7.480 -18.522 1.00 1.35 C ATOM 1214 O CYS A 85 -8.419 -8.241 -19.442 1.00 2.00 O ATOM 1215 CB CYS A 85 -6.707 -7.027 -17.106 1.00 1.48 C ATOM 1216 SG CYS A 85 -5.760 -7.398 -15.615 1.00 2.55 S ATOM 0 H CYS A 85 -7.091 -9.440 -16.843 1.00 1.33 H new ATOM 0 HA CYS A 85 -8.707 -7.134 -16.396 1.00 1.29 H new ATOM 0 HB2 CYS A 85 -6.145 -7.375 -17.973 1.00 1.48 H new ATOM 0 HB3 CYS A 85 -6.801 -5.945 -17.200 1.00 1.48 H new ATOM 1221 N VAL A 86 -9.630 -6.509 -18.676 1.00 1.21 N ATOM 1222 CA VAL A 86 -10.397 -6.308 -19.892 1.00 1.30 C ATOM 1223 C VAL A 86 -9.365 -5.961 -20.959 1.00 1.50 C ATOM 1224 O VAL A 86 -8.506 -5.100 -20.760 1.00 1.79 O ATOM 1225 CB VAL A 86 -11.391 -5.152 -19.714 1.00 1.34 C ATOM 1226 CG1 VAL A 86 -11.844 -4.483 -21.017 1.00 1.56 C ATOM 1227 CG2 VAL A 86 -12.577 -5.536 -18.824 1.00 1.42 C ATOM 0 H VAL A 86 -9.842 -5.830 -17.945 1.00 1.21 H new ATOM 0 HA VAL A 86 -10.981 -7.189 -20.157 1.00 1.30 H new ATOM 0 HB VAL A 86 -10.819 -4.384 -19.193 1.00 1.34 H new ATOM 0 HG11 VAL A 86 -12.544 -3.679 -20.789 1.00 1.56 H new ATOM 0 HG12 VAL A 86 -10.977 -4.073 -21.536 1.00 1.56 H new ATOM 0 HG13 VAL A 86 -12.333 -5.220 -21.654 1.00 1.56 H new ATOM 0 HG21 VAL A 86 -13.251 -4.685 -18.729 1.00 1.42 H new ATOM 0 HG22 VAL A 86 -13.111 -6.374 -19.271 1.00 1.42 H new ATOM 0 HG23 VAL A 86 -12.214 -5.823 -17.837 1.00 1.42 H new ATOM 1295 N CYS A 91 -3.492 -2.951 -16.153 1.00 1.43 N ATOM 1296 CA CYS A 91 -4.160 -3.312 -14.914 1.00 1.30 C ATOM 1297 C CYS A 91 -3.178 -3.676 -13.810 1.00 1.18 C ATOM 1298 O CYS A 91 -3.582 -4.200 -12.772 1.00 2.16 O ATOM 1299 CB CYS A 91 -5.051 -4.519 -15.178 1.00 1.61 C ATOM 1300 SG CYS A 91 -4.198 -6.026 -15.645 1.00 2.65 S ATOM 0 HA CYS A 91 -4.734 -2.447 -14.582 1.00 1.30 H new ATOM 0 HB2 CYS A 91 -5.637 -4.718 -14.281 1.00 1.61 H new ATOM 0 HB3 CYS A 91 -5.756 -4.262 -15.969 1.00 1.61 H new ATOM 1305 N ARG A 92 -1.884 -3.396 -13.983 1.00 0.81 N ATOM 1306 CA ARG A 92 -0.864 -3.689 -12.986 1.00 0.79 C ATOM 1307 C ARG A 92 -0.953 -2.711 -11.807 1.00 1.08 C ATOM 1308 O ARG A 92 -0.027 -1.950 -11.533 1.00 2.14 O ATOM 1309 CB ARG A 92 0.517 -3.708 -13.662 1.00 0.94 C ATOM 1310 CG ARG A 92 1.693 -4.077 -12.744 1.00 1.92 C ATOM 1311 CD ARG A 92 1.366 -5.219 -11.772 1.00 1.92 C ATOM 1312 NE ARG A 92 2.588 -5.828 -11.228 1.00 2.84 N ATOM 1313 CZ ARG A 92 3.196 -5.633 -10.047 1.00 4.62 C ATOM 1314 NH1 ARG A 92 2.902 -4.605 -9.241 1.00 6.04 N ATOM 1315 NH2 ARG A 92 4.085 -6.549 -9.682 1.00 5.21 N ATOM 0 H ARG A 92 -1.517 -2.956 -14.827 1.00 0.81 H new ATOM 0 HA ARG A 92 -1.031 -4.678 -12.560 1.00 0.79 H new ATOM 0 HB2 ARG A 92 0.488 -4.416 -14.490 1.00 0.94 H new ATOM 0 HB3 ARG A 92 0.707 -2.724 -14.090 1.00 0.94 H new ATOM 0 HG2 ARG A 92 2.548 -4.364 -13.357 1.00 1.92 H new ATOM 0 HG3 ARG A 92 1.990 -3.197 -12.174 1.00 1.92 H new ATOM 0 HD2 ARG A 92 0.753 -4.839 -10.955 1.00 1.92 H new ATOM 0 HD3 ARG A 92 0.777 -5.979 -12.286 1.00 1.92 H new ATOM 0 HE ARG A 92 3.044 -6.503 -11.842 1.00 2.84 H new ATOM 0 HH11 ARG A 92 2.189 -3.929 -9.516 1.00 6.04 H new ATOM 0 HH12 ARG A 92 3.391 -4.498 -8.352 1.00 6.04 H new ATOM 0 HH21 ARG A 92 4.274 -7.347 -10.289 1.00 5.21 H new ATOM 0 HH22 ARG A 92 4.579 -6.455 -8.795 1.00 5.21 H new ATOM 1329 N HIS A 93 -2.052 -2.753 -11.060 1.00 0.64 N ATOM 1330 CA HIS A 93 -2.241 -2.014 -9.827 1.00 0.84 C ATOM 1331 C HIS A 93 -3.459 -2.603 -9.100 1.00 0.74 C ATOM 1332 O HIS A 93 -3.277 -3.220 -8.054 1.00 0.70 O ATOM 1333 CB HIS A 93 -2.337 -0.498 -10.099 1.00 1.13 C ATOM 1334 CG HIS A 93 -1.144 0.372 -9.712 1.00 1.27 C ATOM 1335 ND1 HIS A 93 -0.907 1.640 -10.219 1.00 1.51 N ATOM 1336 CD2 HIS A 93 -0.176 0.128 -8.763 1.00 1.78 C ATOM 1337 CE1 HIS A 93 0.181 2.142 -9.606 1.00 2.04 C ATOM 1338 NE2 HIS A 93 0.635 1.252 -8.705 1.00 2.28 N ATOM 0 H HIS A 93 -2.860 -3.323 -11.309 1.00 0.64 H new ATOM 0 HA HIS A 93 -1.379 -2.120 -9.169 1.00 0.84 H new ATOM 0 HB2 HIS A 93 -2.520 -0.360 -11.165 1.00 1.13 H new ATOM 0 HB3 HIS A 93 -3.213 -0.118 -9.573 1.00 1.13 H new ATOM 0 HD2 HIS A 93 -0.068 -0.771 -8.174 1.00 1.78 H new ATOM 0 HE1 HIS A 93 0.621 3.108 -9.806 1.00 2.04 H new ATOM 0 HE2 HIS A 93 1.436 1.381 -8.087 1.00 2.28 H new ATOM 1347 N TYR A 94 -4.676 -2.487 -9.645 1.00 0.72 N ATOM 1348 CA TYR A 94 -5.859 -3.069 -9.001 1.00 0.60 C ATOM 1349 C TYR A 94 -5.677 -4.559 -8.755 1.00 0.53 C ATOM 1350 O TYR A 94 -6.001 -5.035 -7.674 1.00 0.46 O ATOM 1351 CB TYR A 94 -7.122 -2.881 -9.834 1.00 0.68 C ATOM 1352 CG TYR A 94 -8.362 -3.543 -9.259 1.00 0.82 C ATOM 1353 CD1 TYR A 94 -9.100 -2.900 -8.252 1.00 2.02 C ATOM 1354 CD2 TYR A 94 -8.781 -4.802 -9.733 1.00 1.41 C ATOM 1355 CE1 TYR A 94 -10.273 -3.485 -7.749 1.00 2.31 C ATOM 1356 CE2 TYR A 94 -9.951 -5.392 -9.223 1.00 1.55 C ATOM 1357 CZ TYR A 94 -10.709 -4.720 -8.251 1.00 1.53 C ATOM 1358 OH TYR A 94 -11.927 -5.204 -7.890 1.00 1.93 O ATOM 0 H TYR A 94 -4.866 -2.001 -10.521 1.00 0.72 H new ATOM 0 HA TYR A 94 -5.971 -2.541 -8.054 1.00 0.60 H new ATOM 0 HB2 TYR A 94 -7.314 -1.814 -9.944 1.00 0.68 H new ATOM 0 HB3 TYR A 94 -6.945 -3.278 -10.834 1.00 0.68 H new ATOM 0 HD1 TYR A 94 -8.763 -1.951 -7.862 1.00 2.02 H new ATOM 0 HD2 TYR A 94 -8.203 -5.314 -10.488 1.00 1.41 H new ATOM 0 HE1 TYR A 94 -10.839 -2.985 -6.977 1.00 2.31 H new ATOM 0 HE2 TYR A 94 -10.266 -6.362 -9.579 1.00 1.55 H new ATOM 0 HH TYR A 94 -12.613 -4.845 -8.491 1.00 1.93 H new ATOM 1368 N THR A 95 -5.148 -5.286 -9.743 1.00 0.60 N ATOM 1369 CA THR A 95 -4.811 -6.697 -9.601 1.00 0.56 C ATOM 1370 C THR A 95 -4.149 -6.960 -8.245 1.00 0.54 C ATOM 1371 O THR A 95 -4.470 -7.926 -7.562 1.00 0.54 O ATOM 1372 CB THR A 95 -3.857 -7.102 -10.736 1.00 0.65 C ATOM 1373 OG1 THR A 95 -2.848 -6.123 -10.915 1.00 0.79 O ATOM 1374 CG2 THR A 95 -4.583 -7.249 -12.070 1.00 0.76 C ATOM 0 H THR A 95 -4.942 -4.906 -10.667 1.00 0.60 H new ATOM 0 HA THR A 95 -5.724 -7.289 -9.656 1.00 0.56 H new ATOM 0 HB THR A 95 -3.428 -8.060 -10.443 1.00 0.65 H new ATOM 0 HG1 THR A 95 -3.124 -5.492 -11.612 1.00 0.79 H new ATOM 0 HG21 THR A 95 -3.870 -7.536 -12.843 1.00 0.76 H new ATOM 0 HG22 THR A 95 -5.352 -8.016 -11.983 1.00 0.76 H new ATOM 0 HG23 THR A 95 -5.046 -6.300 -12.339 1.00 0.76 H new ATOM 1382 N GLN A 96 -3.219 -6.083 -7.867 1.00 0.65 N ATOM 1383 CA GLN A 96 -2.543 -6.142 -6.591 1.00 0.73 C ATOM 1384 C GLN A 96 -3.555 -5.878 -5.463 1.00 0.71 C ATOM 1385 O GLN A 96 -3.710 -6.699 -4.563 1.00 0.82 O ATOM 1386 CB GLN A 96 -1.369 -5.141 -6.616 1.00 0.99 C ATOM 1387 CG GLN A 96 -0.178 -5.631 -5.787 1.00 1.09 C ATOM 1388 CD GLN A 96 -0.599 -5.906 -4.357 1.00 1.90 C ATOM 1389 OE1 GLN A 96 -1.450 -5.205 -3.833 1.00 3.97 O ATOM 1390 NE2 GLN A 96 -0.082 -6.969 -3.763 1.00 1.27 N ATOM 0 H GLN A 96 -2.917 -5.305 -8.453 1.00 0.65 H new ATOM 0 HA GLN A 96 -2.124 -7.130 -6.401 1.00 0.73 H new ATOM 0 HB2 GLN A 96 -1.052 -4.980 -7.646 1.00 0.99 H new ATOM 0 HB3 GLN A 96 -1.706 -4.178 -6.232 1.00 0.99 H new ATOM 0 HG2 GLN A 96 0.233 -6.538 -6.231 1.00 1.09 H new ATOM 0 HG3 GLN A 96 0.614 -4.882 -5.801 1.00 1.09 H new ATOM 0 HE21 GLN A 96 0.627 -7.525 -4.240 1.00 1.27 H new ATOM 0 HE22 GLN A 96 -0.393 -7.232 -2.828 1.00 1.27 H new ATOM 1399 N VAL A 97 -4.246 -4.739 -5.508 1.00 0.67 N ATOM 1400 CA VAL A 97 -5.130 -4.298 -4.430 1.00 0.62 C ATOM 1401 C VAL A 97 -6.167 -5.376 -4.104 1.00 0.65 C ATOM 1402 O VAL A 97 -6.546 -5.578 -2.949 1.00 0.80 O ATOM 1403 CB VAL A 97 -5.803 -2.967 -4.811 1.00 0.63 C ATOM 1404 CG1 VAL A 97 -6.777 -2.490 -3.729 1.00 0.60 C ATOM 1405 CG2 VAL A 97 -4.747 -1.875 -4.985 1.00 0.66 C ATOM 0 H VAL A 97 -4.208 -4.094 -6.297 1.00 0.67 H new ATOM 0 HA VAL A 97 -4.536 -4.134 -3.531 1.00 0.62 H new ATOM 0 HB VAL A 97 -6.347 -3.145 -5.739 1.00 0.63 H new ATOM 0 HG11 VAL A 97 -7.230 -1.548 -4.037 1.00 0.60 H new ATOM 0 HG12 VAL A 97 -7.557 -3.238 -3.586 1.00 0.60 H new ATOM 0 HG13 VAL A 97 -6.238 -2.344 -2.793 1.00 0.60 H new ATOM 0 HG21 VAL A 97 -5.234 -0.938 -5.254 1.00 0.66 H new ATOM 0 HG22 VAL A 97 -4.201 -1.745 -4.051 1.00 0.66 H new ATOM 0 HG23 VAL A 97 -4.052 -2.163 -5.774 1.00 0.66 H new ATOM 1415 N VAL A 98 -6.612 -6.083 -5.136 1.00 0.54 N ATOM 1416 CA VAL A 98 -7.596 -7.134 -5.050 1.00 0.50 C ATOM 1417 C VAL A 98 -7.019 -8.494 -4.663 1.00 0.54 C ATOM 1418 O VAL A 98 -7.775 -9.349 -4.224 1.00 0.70 O ATOM 1419 CB VAL A 98 -8.435 -7.126 -6.341 1.00 0.45 C ATOM 1420 CG1 VAL A 98 -8.240 -8.356 -7.225 1.00 0.45 C ATOM 1421 CG2 VAL A 98 -9.905 -7.069 -5.955 1.00 0.46 C ATOM 0 H VAL A 98 -6.279 -5.927 -6.088 1.00 0.54 H new ATOM 0 HA VAL A 98 -8.264 -6.931 -4.213 1.00 0.50 H new ATOM 0 HB VAL A 98 -8.106 -6.260 -6.916 1.00 0.45 H new ATOM 0 HG11 VAL A 98 -8.867 -8.269 -8.112 1.00 0.45 H new ATOM 0 HG12 VAL A 98 -7.194 -8.426 -7.525 1.00 0.45 H new ATOM 0 HG13 VAL A 98 -8.519 -9.251 -6.669 1.00 0.45 H new ATOM 0 HG21 VAL A 98 -10.518 -7.062 -6.856 1.00 0.46 H new ATOM 0 HG22 VAL A 98 -10.157 -7.941 -5.351 1.00 0.46 H new ATOM 0 HG23 VAL A 98 -10.095 -6.163 -5.380 1.00 0.46 H new ATOM 1431 N TRP A 99 -5.708 -8.682 -4.756 1.00 0.56 N ATOM 1432 CA TRP A 99 -5.033 -9.973 -4.825 1.00 0.57 C ATOM 1433 C TRP A 99 -5.484 -10.921 -3.713 1.00 0.55 C ATOM 1434 O TRP A 99 -4.890 -10.926 -2.639 1.00 0.50 O ATOM 1435 CB TRP A 99 -3.519 -9.749 -4.766 1.00 0.66 C ATOM 1436 CG TRP A 99 -2.677 -10.921 -5.149 1.00 0.73 C ATOM 1437 CD1 TRP A 99 -2.043 -11.761 -4.304 1.00 0.91 C ATOM 1438 CD2 TRP A 99 -2.325 -11.359 -6.489 1.00 0.71 C ATOM 1439 NE1 TRP A 99 -1.259 -12.637 -5.025 1.00 1.02 N ATOM 1440 CE2 TRP A 99 -1.404 -12.440 -6.382 1.00 0.91 C ATOM 1441 CE3 TRP A 99 -2.635 -10.904 -7.785 1.00 0.66 C ATOM 1442 CZ2 TRP A 99 -0.822 -13.024 -7.512 1.00 1.00 C ATOM 1443 CZ3 TRP A 99 -2.133 -11.551 -8.927 1.00 0.76 C ATOM 1444 CH2 TRP A 99 -1.229 -12.614 -8.790 1.00 0.92 C ATOM 0 H TRP A 99 -5.054 -7.900 -4.787 1.00 0.56 H new ATOM 0 HA TRP A 99 -5.301 -10.450 -5.768 1.00 0.57 H new ATOM 0 HB2 TRP A 99 -3.268 -8.915 -5.421 1.00 0.66 H new ATOM 0 HB3 TRP A 99 -3.253 -9.450 -3.752 1.00 0.66 H new ATOM 0 HD1 TRP A 99 -2.135 -11.749 -3.228 1.00 0.91 H new ATOM 0 HE1 TRP A 99 -0.650 -13.341 -4.608 1.00 1.02 H new ATOM 0 HE3 TRP A 99 -3.272 -10.040 -7.904 1.00 0.66 H new ATOM 0 HZ2 TRP A 99 -0.064 -13.786 -7.401 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 -2.443 -11.229 -9.910 1.00 0.76 H new ATOM 0 HH2 TRP A 99 -0.847 -13.116 -9.667 1.00 0.92 H new ATOM 1455 N ARG A 100 -6.533 -11.709 -3.931 1.00 0.73 N ATOM 1456 CA ARG A 100 -7.163 -12.547 -2.924 1.00 0.84 C ATOM 1457 C ARG A 100 -6.099 -13.308 -2.144 1.00 0.76 C ATOM 1458 O ARG A 100 -6.118 -13.331 -0.915 1.00 0.86 O ATOM 1459 CB ARG A 100 -8.151 -13.505 -3.599 1.00 0.99 C ATOM 1460 CG ARG A 100 -8.924 -14.333 -2.561 1.00 1.30 C ATOM 1461 CD ARG A 100 -10.188 -14.967 -3.163 1.00 1.96 C ATOM 1462 NE ARG A 100 -9.983 -15.437 -4.540 1.00 2.57 N ATOM 1463 CZ ARG A 100 -9.178 -16.435 -4.918 1.00 3.43 C ATOM 1464 NH1 ARG A 100 -8.533 -17.179 -4.016 1.00 3.60 N ATOM 1465 NH2 ARG A 100 -8.981 -16.631 -6.217 1.00 5.08 N ATOM 0 H ARG A 100 -6.980 -11.782 -4.845 1.00 0.73 H new ATOM 0 HA ARG A 100 -7.716 -11.925 -2.220 1.00 0.84 H new ATOM 0 HB2 ARG A 100 -8.853 -12.936 -4.209 1.00 0.99 H new ATOM 0 HB3 ARG A 100 -7.612 -14.172 -4.271 1.00 0.99 H new ATOM 0 HG2 ARG A 100 -8.277 -15.116 -2.166 1.00 1.30 H new ATOM 0 HG3 ARG A 100 -9.202 -13.696 -1.721 1.00 1.30 H new ATOM 0 HD2 ARG A 100 -10.502 -15.805 -2.540 1.00 1.96 H new ATOM 0 HD3 ARG A 100 -10.998 -14.238 -3.149 1.00 1.96 H new ATOM 0 HE ARG A 100 -10.503 -14.958 -5.275 1.00 2.57 H new ATOM 0 HH11 ARG A 100 -8.651 -16.990 -3.021 1.00 3.60 H new ATOM 0 HH12 ARG A 100 -7.923 -17.937 -4.322 1.00 3.60 H new ATOM 0 HH21 ARG A 100 -9.439 -16.027 -6.899 1.00 5.08 H new ATOM 0 HH22 ARG A 100 -8.371 -17.386 -6.532 1.00 5.08 H new ATOM 1479 N ASN A 101 -5.139 -13.879 -2.868 1.00 0.70 N ATOM 1480 CA ASN A 101 -4.091 -14.697 -2.283 1.00 0.64 C ATOM 1481 C ASN A 101 -2.962 -13.857 -1.666 1.00 0.71 C ATOM 1482 O ASN A 101 -1.791 -14.154 -1.887 1.00 1.84 O ATOM 1483 CB ASN A 101 -3.566 -15.676 -3.344 1.00 0.95 C ATOM 1484 CG ASN A 101 -3.162 -16.984 -2.683 1.00 1.27 C ATOM 1485 OD1 ASN A 101 -3.861 -17.985 -2.833 1.00 1.97 O ATOM 1486 ND2 ASN A 101 -2.082 -16.965 -1.920 1.00 1.94 N ATOM 0 H ASN A 101 -5.070 -13.784 -3.881 1.00 0.70 H new ATOM 0 HA ASN A 101 -4.516 -15.263 -1.454 1.00 0.64 H new ATOM 0 HB2 ASN A 101 -4.335 -15.860 -4.095 1.00 0.95 H new ATOM 0 HB3 ASN A 101 -2.712 -15.241 -3.862 1.00 0.95 H new ATOM 0 HD21 ASN A 101 -1.794 -17.808 -1.422 1.00 1.94 H new ATOM 0 HD22 ASN A 101 -1.537 -16.108 -1.829 1.00 1.94 H new ATOM 1493 N SER A 102 -3.287 -12.800 -0.917 1.00 0.65 N ATOM 1494 CA SER A 102 -2.412 -12.155 0.043 1.00 0.60 C ATOM 1495 C SER A 102 -3.257 -11.904 1.286 1.00 0.72 C ATOM 1496 O SER A 102 -4.445 -11.605 1.144 1.00 1.06 O ATOM 1497 CB SER A 102 -1.862 -10.841 -0.508 1.00 0.75 C ATOM 1498 OG SER A 102 -2.886 -10.002 -1.023 1.00 2.15 O ATOM 0 H SER A 102 -4.205 -12.359 -0.971 1.00 0.65 H new ATOM 0 HA SER A 102 -1.549 -12.783 0.267 1.00 0.60 H new ATOM 0 HB2 SER A 102 -1.327 -10.314 0.282 1.00 0.75 H new ATOM 0 HB3 SER A 102 -1.139 -11.054 -1.296 1.00 0.75 H new ATOM 0 HG SER A 102 -3.411 -10.496 -1.687 1.00 2.15 H new ATOM 1504 N VAL A 103 -2.667 -12.021 2.475 1.00 0.77 N ATOM 1505 CA VAL A 103 -3.377 -11.832 3.738 1.00 0.87 C ATOM 1506 C VAL A 103 -2.623 -10.934 4.716 1.00 0.88 C ATOM 1507 O VAL A 103 -3.213 -10.417 5.664 1.00 0.95 O ATOM 1508 CB VAL A 103 -3.741 -13.182 4.366 1.00 0.94 C ATOM 1509 CG1 VAL A 103 -4.745 -13.924 3.477 1.00 1.00 C ATOM 1510 CG2 VAL A 103 -2.502 -14.050 4.612 1.00 0.96 C ATOM 0 H VAL A 103 -1.680 -12.250 2.589 1.00 0.77 H new ATOM 0 HA VAL A 103 -4.303 -11.306 3.506 1.00 0.87 H new ATOM 0 HB VAL A 103 -4.198 -12.984 5.336 1.00 0.94 H new ATOM 0 HG11 VAL A 103 -4.996 -14.882 3.933 1.00 1.00 H new ATOM 0 HG12 VAL A 103 -5.649 -13.324 3.370 1.00 1.00 H new ATOM 0 HG13 VAL A 103 -4.305 -14.094 2.495 1.00 1.00 H new ATOM 0 HG21 VAL A 103 -2.804 -14.998 5.058 1.00 0.96 H new ATOM 0 HG22 VAL A 103 -1.997 -14.239 3.665 1.00 0.96 H new ATOM 0 HG23 VAL A 103 -1.823 -13.531 5.288 1.00 0.96 H new ATOM 1520 N ARG A 104 -1.331 -10.732 4.485 1.00 0.96 N ATOM 1521 CA ARG A 104 -0.546 -9.749 5.206 1.00 0.92 C ATOM 1522 C ARG A 104 -0.378 -8.526 4.314 1.00 0.86 C ATOM 1523 O ARG A 104 -0.380 -8.660 3.087 1.00 0.83 O ATOM 1524 CB ARG A 104 0.843 -10.308 5.494 1.00 0.98 C ATOM 1525 CG ARG A 104 0.853 -11.665 6.201 1.00 1.22 C ATOM 1526 CD ARG A 104 2.194 -11.845 6.939 1.00 2.29 C ATOM 1527 NE ARG A 104 2.658 -13.236 7.087 1.00 2.46 N ATOM 1528 CZ ARG A 104 1.973 -14.307 7.511 1.00 2.79 C ATOM 1529 NH1 ARG A 104 0.666 -14.228 7.744 1.00 3.22 N ATOM 1530 NH2 ARG A 104 2.620 -15.453 7.695 1.00 3.79 N ATOM 0 H ARG A 104 -0.799 -11.251 3.787 1.00 0.96 H new ATOM 0 HA ARG A 104 -1.047 -9.497 6.140 1.00 0.92 H new ATOM 0 HB2 ARG A 104 1.385 -10.400 4.553 1.00 0.98 H new ATOM 0 HB3 ARG A 104 1.389 -9.590 6.107 1.00 0.98 H new ATOM 0 HG2 ARG A 104 0.025 -11.726 6.907 1.00 1.22 H new ATOM 0 HG3 ARG A 104 0.713 -12.467 5.476 1.00 1.22 H new ATOM 0 HD2 ARG A 104 2.960 -11.280 6.407 1.00 2.29 H new ATOM 0 HD3 ARG A 104 2.104 -11.403 7.931 1.00 2.29 H new ATOM 0 HE ARG A 104 3.631 -13.406 6.833 1.00 2.46 H new ATOM 0 HH11 ARG A 104 0.175 -13.346 7.600 1.00 3.22 H new ATOM 0 HH12 ARG A 104 0.155 -15.050 8.066 1.00 3.22 H new ATOM 0 HH21 ARG A 104 3.622 -15.508 7.514 1.00 3.79 H new ATOM 0 HH22 ARG A 104 2.114 -16.278 8.017 1.00 3.79 H new ATOM 1544 N LEU A 105 -0.182 -7.361 4.923 1.00 0.96 N ATOM 1545 CA LEU A 105 -0.015 -6.104 4.222 1.00 0.80 C ATOM 1546 C LEU A 105 0.801 -5.188 5.114 1.00 0.82 C ATOM 1547 O LEU A 105 0.440 -5.002 6.271 1.00 0.98 O ATOM 1548 CB LEU A 105 -1.411 -5.501 4.010 1.00 0.91 C ATOM 1549 CG LEU A 105 -1.429 -4.136 3.316 1.00 0.93 C ATOM 1550 CD1 LEU A 105 -0.986 -4.288 1.873 1.00 1.75 C ATOM 1551 CD2 LEU A 105 -2.864 -3.610 3.291 1.00 1.96 C ATOM 0 H LEU A 105 -0.135 -7.268 5.938 1.00 0.96 H new ATOM 0 HA LEU A 105 0.485 -6.237 3.263 1.00 0.80 H new ATOM 0 HB2 LEU A 105 -2.006 -6.199 3.421 1.00 0.91 H new ATOM 0 HB3 LEU A 105 -1.900 -5.405 4.980 1.00 0.91 H new ATOM 0 HG LEU A 105 -0.765 -3.459 3.854 1.00 0.93 H new ATOM 0 HD11 LEU A 105 -1.000 -3.314 1.383 1.00 1.75 H new ATOM 0 HD12 LEU A 105 0.025 -4.694 1.844 1.00 1.75 H new ATOM 0 HD13 LEU A 105 -1.664 -4.965 1.354 1.00 1.75 H new ATOM 0 HD21 LEU A 105 -2.887 -2.638 2.798 1.00 1.96 H new ATOM 0 HD22 LEU A 105 -3.498 -4.308 2.745 1.00 1.96 H new ATOM 0 HD23 LEU A 105 -3.232 -3.508 4.312 1.00 1.96 H new ATOM 1563 N GLY A 106 1.885 -4.613 4.609 1.00 0.84 N ATOM 1564 CA GLY A 106 2.668 -3.681 5.393 1.00 0.87 C ATOM 1565 C GLY A 106 3.257 -2.641 4.467 1.00 0.83 C ATOM 1566 O GLY A 106 4.013 -2.986 3.557 1.00 0.94 O ATOM 0 H GLY A 106 2.236 -4.777 3.666 1.00 0.84 H new ATOM 0 HA2 GLY A 106 2.043 -3.204 6.148 1.00 0.87 H new ATOM 0 HA3 GLY A 106 3.462 -4.207 5.923 1.00 0.87 H new ATOM 1570 N CYS A 107 2.854 -1.386 4.657 1.00 0.72 N ATOM 1571 CA CYS A 107 3.126 -0.331 3.698 1.00 0.66 C ATOM 1572 C CYS A 107 4.205 0.609 4.193 1.00 0.89 C ATOM 1573 O CYS A 107 4.489 0.657 5.389 1.00 1.16 O ATOM 1574 CB CYS A 107 1.832 0.386 3.336 1.00 0.68 C ATOM 1575 SG CYS A 107 0.536 -0.720 2.732 1.00 1.21 S ATOM 0 H CYS A 107 2.332 -1.078 5.478 1.00 0.72 H new ATOM 0 HA CYS A 107 3.521 -0.775 2.784 1.00 0.66 H new ATOM 0 HB2 CYS A 107 1.464 0.918 4.213 1.00 0.68 H new ATOM 0 HB3 CYS A 107 2.043 1.136 2.573 1.00 0.68 H new ATOM 1580 N GLY A 108 4.841 1.321 3.266 1.00 0.96 N ATOM 1581 CA GLY A 108 6.028 2.107 3.521 1.00 1.37 C ATOM 1582 C GLY A 108 5.900 3.401 2.748 1.00 1.48 C ATOM 1583 O GLY A 108 5.994 3.414 1.521 1.00 2.46 O ATOM 0 H GLY A 108 4.531 1.363 2.295 1.00 0.96 H new ATOM 0 HA2 GLY A 108 6.132 2.308 4.587 1.00 1.37 H new ATOM 0 HA3 GLY A 108 6.920 1.563 3.211 1.00 1.37 H new ATOM 1587 N ARG A 109 5.648 4.482 3.475 1.00 0.88 N ATOM 1588 CA ARG A 109 5.536 5.822 2.941 1.00 0.85 C ATOM 1589 C ARG A 109 6.722 6.614 3.478 1.00 0.70 C ATOM 1590 O ARG A 109 7.100 6.431 4.636 1.00 1.09 O ATOM 1591 CB ARG A 109 4.186 6.389 3.381 1.00 1.16 C ATOM 1592 CG ARG A 109 3.972 7.837 2.939 1.00 0.90 C ATOM 1593 CD ARG A 109 2.504 8.196 3.166 1.00 1.46 C ATOM 1594 NE ARG A 109 2.227 9.580 2.773 1.00 1.63 N ATOM 1595 CZ ARG A 109 2.335 10.665 3.550 1.00 2.24 C ATOM 1596 NH1 ARG A 109 2.846 10.572 4.776 1.00 2.71 N ATOM 1597 NH2 ARG A 109 1.905 11.830 3.074 1.00 3.14 N ATOM 0 H ARG A 109 5.512 4.443 4.485 1.00 0.88 H new ATOM 0 HA ARG A 109 5.565 5.860 1.852 1.00 0.85 H new ATOM 0 HB2 ARG A 109 3.388 5.769 2.973 1.00 1.16 H new ATOM 0 HB3 ARG A 109 4.111 6.332 4.467 1.00 1.16 H new ATOM 0 HG2 ARG A 109 4.619 8.507 3.506 1.00 0.90 H new ATOM 0 HG3 ARG A 109 4.234 7.956 1.888 1.00 0.90 H new ATOM 0 HD2 ARG A 109 1.869 7.519 2.594 1.00 1.46 H new ATOM 0 HD3 ARG A 109 2.252 8.057 4.217 1.00 1.46 H new ATOM 0 HE ARG A 109 1.921 9.732 1.812 1.00 1.63 H new ATOM 0 HH11 ARG A 109 3.159 9.668 5.131 1.00 2.71 H new ATOM 0 HH12 ARG A 109 2.924 11.404 5.360 1.00 2.71 H new ATOM 0 HH21 ARG A 109 1.504 11.882 2.137 1.00 3.14 H new ATOM 0 HH22 ARG A 109 1.976 12.672 3.646 1.00 3.14 H new ATOM 1611 N ALA A 110 7.335 7.460 2.658 1.00 0.62 N ATOM 1612 CA ALA A 110 8.476 8.264 3.070 1.00 0.67 C ATOM 1613 C ALA A 110 8.608 9.438 2.111 1.00 0.57 C ATOM 1614 O ALA A 110 8.336 9.292 0.918 1.00 0.58 O ATOM 1615 CB ALA A 110 9.757 7.423 3.054 1.00 0.73 C ATOM 0 H ALA A 110 7.054 7.607 1.689 1.00 0.62 H new ATOM 0 HA ALA A 110 8.323 8.627 4.086 1.00 0.67 H new ATOM 0 HB1 ALA A 110 10.601 8.039 3.365 1.00 0.73 H new ATOM 0 HB2 ALA A 110 9.649 6.583 3.740 1.00 0.73 H new ATOM 0 HB3 ALA A 110 9.933 7.048 2.046 1.00 0.73 H new ATOM 1621 N ARG A 111 9.001 10.602 2.615 1.00 0.68 N ATOM 1622 CA ARG A 111 9.262 11.755 1.780 1.00 0.63 C ATOM 1623 C ARG A 111 10.669 11.611 1.191 1.00 0.65 C ATOM 1624 O ARG A 111 11.647 11.434 1.921 1.00 0.89 O ATOM 1625 CB ARG A 111 9.083 13.022 2.626 1.00 0.75 C ATOM 1626 CG ARG A 111 9.455 14.303 1.877 1.00 1.06 C ATOM 1627 CD ARG A 111 9.137 15.536 2.731 1.00 1.39 C ATOM 1628 NE ARG A 111 9.974 16.681 2.328 1.00 2.05 N ATOM 1629 CZ ARG A 111 9.565 17.896 1.924 1.00 2.64 C ATOM 1630 NH1 ARG A 111 8.269 18.152 1.748 1.00 3.10 N ATOM 1631 NH2 ARG A 111 10.466 18.844 1.684 1.00 3.66 N ATOM 0 H ARG A 111 9.146 10.767 3.611 1.00 0.68 H new ATOM 0 HA ARG A 111 8.565 11.828 0.945 1.00 0.63 H new ATOM 0 HB2 ARG A 111 8.046 13.089 2.954 1.00 0.75 H new ATOM 0 HB3 ARG A 111 9.697 12.942 3.523 1.00 0.75 H new ATOM 0 HG2 ARG A 111 10.516 14.290 1.627 1.00 1.06 H new ATOM 0 HG3 ARG A 111 8.907 14.354 0.936 1.00 1.06 H new ATOM 0 HD2 ARG A 111 8.083 15.795 2.626 1.00 1.39 H new ATOM 0 HD3 ARG A 111 9.306 15.309 3.784 1.00 1.39 H new ATOM 0 HE ARG A 111 10.983 16.534 2.360 1.00 2.05 H new ATOM 0 HH11 ARG A 111 7.577 17.423 1.920 1.00 3.10 H new ATOM 0 HH12 ARG A 111 7.969 19.077 1.441 1.00 3.10 H new ATOM 0 HH21 ARG A 111 11.459 18.647 1.807 1.00 3.66 H new ATOM 0 HH22 ARG A 111 10.164 19.769 1.377 1.00 3.66 H new ATOM 1645 N CYS A 112 10.779 11.700 -0.133 1.00 0.77 N ATOM 1646 CA CYS A 112 12.057 11.830 -0.818 1.00 0.92 C ATOM 1647 C CYS A 112 12.753 13.124 -0.465 1.00 1.44 C ATOM 1648 O CYS A 112 12.117 14.143 -0.209 1.00 1.75 O ATOM 1649 CB CYS A 112 11.916 11.833 -2.347 1.00 1.53 C ATOM 1650 SG CYS A 112 10.893 10.593 -3.141 1.00 2.18 S ATOM 0 H CYS A 112 9.976 11.684 -0.762 1.00 0.77 H new ATOM 0 HA CYS A 112 12.631 10.963 -0.489 1.00 0.92 H new ATOM 0 HB2 CYS A 112 11.530 12.810 -2.638 1.00 1.53 H new ATOM 0 HB3 CYS A 112 12.918 11.748 -2.768 1.00 1.53 H new ATOM 1690 N TRP A 116 9.084 14.958 -3.066 1.00 2.19 N ATOM 1691 CA TRP A 116 7.929 14.144 -3.401 1.00 1.07 C ATOM 1692 C TRP A 116 7.715 13.079 -2.333 1.00 0.85 C ATOM 1693 O TRP A 116 8.672 12.591 -1.737 1.00 0.98 O ATOM 1694 CB TRP A 116 8.120 13.481 -4.767 1.00 1.12 C ATOM 1695 CG TRP A 116 8.251 14.374 -5.964 1.00 1.23 C ATOM 1696 CD1 TRP A 116 8.082 15.716 -6.004 1.00 1.65 C ATOM 1697 CD2 TRP A 116 8.530 13.972 -7.335 1.00 1.32 C ATOM 1698 NE1 TRP A 116 8.141 16.149 -7.309 1.00 1.86 N ATOM 1699 CE2 TRP A 116 8.439 15.119 -8.174 1.00 1.59 C ATOM 1700 CE3 TRP A 116 8.883 12.751 -7.948 1.00 1.62 C ATOM 1701 CZ2 TRP A 116 8.636 15.045 -9.559 1.00 1.82 C ATOM 1702 CZ3 TRP A 116 9.082 12.667 -9.339 1.00 1.93 C ATOM 1703 CH2 TRP A 116 8.955 13.811 -10.144 1.00 1.90 C ATOM 0 HA TRP A 116 7.051 14.788 -3.445 1.00 1.07 H new ATOM 0 HB2 TRP A 116 9.012 12.857 -4.715 1.00 1.12 H new ATOM 0 HB3 TRP A 116 7.275 12.814 -4.937 1.00 1.12 H new ATOM 0 HD1 TRP A 116 7.925 16.350 -5.144 1.00 1.65 H new ATOM 0 HE1 TRP A 116 7.983 17.114 -7.600 1.00 1.86 H new ATOM 0 HE3 TRP A 116 9.002 11.866 -7.340 1.00 1.62 H new ATOM 0 HZ2 TRP A 116 8.543 15.930 -10.171 1.00 1.82 H new ATOM 0 HZ3 TRP A 116 9.334 11.718 -9.789 1.00 1.93 H new ATOM 0 HH2 TRP A 116 9.103 13.740 -11.212 1.00 1.90 H new ATOM 1714 N TRP A 117 6.466 12.683 -2.121 1.00 0.76 N ATOM 1715 CA TRP A 117 6.144 11.549 -1.284 1.00 0.73 C ATOM 1716 C TRP A 117 6.259 10.278 -2.113 1.00 0.87 C ATOM 1717 O TRP A 117 5.630 10.147 -3.165 1.00 1.25 O ATOM 1718 CB TRP A 117 4.744 11.706 -0.702 1.00 0.78 C ATOM 1719 CG TRP A 117 4.689 12.588 0.499 1.00 0.79 C ATOM 1720 CD1 TRP A 117 4.375 13.900 0.498 1.00 0.95 C ATOM 1721 CD2 TRP A 117 5.062 12.263 1.870 1.00 0.81 C ATOM 1722 NE1 TRP A 117 4.456 14.390 1.783 1.00 1.03 N ATOM 1723 CE2 TRP A 117 4.885 13.429 2.670 1.00 0.97 C ATOM 1724 CE3 TRP A 117 5.559 11.111 2.515 1.00 0.83 C ATOM 1725 CZ2 TRP A 117 5.160 13.447 4.042 1.00 1.14 C ATOM 1726 CZ3 TRP A 117 5.853 11.121 3.891 1.00 1.01 C ATOM 1727 CH2 TRP A 117 5.642 12.281 4.656 1.00 1.16 C ATOM 0 H TRP A 117 5.652 13.144 -2.528 1.00 0.76 H new ATOM 0 HA TRP A 117 6.842 11.490 -0.449 1.00 0.73 H new ATOM 0 HB2 TRP A 117 4.084 12.111 -1.470 1.00 0.78 H new ATOM 0 HB3 TRP A 117 4.358 10.722 -0.437 1.00 0.78 H new ATOM 0 HD1 TRP A 117 4.103 14.476 -0.374 1.00 0.95 H new ATOM 0 HE1 TRP A 117 4.226 15.349 2.045 1.00 1.03 H new ATOM 0 HE3 TRP A 117 5.716 10.208 1.944 1.00 0.83 H new ATOM 0 HZ2 TRP A 117 5.003 14.346 4.620 1.00 1.14 H new ATOM 0 HZ3 TRP A 117 6.243 10.231 4.362 1.00 1.01 H new ATOM 0 HH2 TRP A 117 5.851 12.275 5.716 1.00 1.16 H new ATOM 1738 N PHE A 118 7.058 9.345 -1.605 1.00 0.66 N ATOM 1739 CA PHE A 118 7.051 7.949 -1.988 1.00 0.57 C ATOM 1740 C PHE A 118 6.002 7.146 -1.238 1.00 0.69 C ATOM 1741 O PHE A 118 5.808 7.378 -0.043 1.00 1.18 O ATOM 1742 CB PHE A 118 8.417 7.343 -1.666 1.00 0.55 C ATOM 1743 CG PHE A 118 8.665 5.982 -2.281 1.00 0.69 C ATOM 1744 CD1 PHE A 118 8.245 5.666 -3.587 1.00 1.81 C ATOM 1745 CD2 PHE A 118 9.123 4.955 -1.433 1.00 1.98 C ATOM 1746 CE1 PHE A 118 8.326 4.343 -4.045 1.00 2.01 C ATOM 1747 CE2 PHE A 118 9.280 3.649 -1.924 1.00 2.18 C ATOM 1748 CZ PHE A 118 8.920 3.354 -3.246 1.00 1.40 C ATOM 0 H PHE A 118 7.753 9.555 -0.888 1.00 0.66 H new ATOM 0 HA PHE A 118 6.823 7.906 -3.053 1.00 0.57 H new ATOM 0 HB2 PHE A 118 9.193 8.028 -2.007 1.00 0.55 H new ATOM 0 HB3 PHE A 118 8.517 7.262 -0.584 1.00 0.55 H new ATOM 0 HD1 PHE A 118 7.861 6.441 -4.235 1.00 1.81 H new ATOM 0 HD2 PHE A 118 9.354 5.173 -0.401 1.00 1.98 H new ATOM 0 HE1 PHE A 118 7.930 4.084 -5.016 1.00 2.01 H new ATOM 0 HE2 PHE A 118 9.677 2.874 -1.285 1.00 2.18 H new ATOM 0 HZ PHE A 118 9.099 2.368 -3.649 1.00 1.40 H new ATOM 1758 N ILE A 119 5.402 6.167 -1.920 1.00 0.68 N ATOM 1759 CA ILE A 119 4.723 5.047 -1.296 1.00 0.76 C ATOM 1760 C ILE A 119 5.190 3.754 -1.979 1.00 0.82 C ATOM 1761 O ILE A 119 5.248 3.687 -3.210 1.00 0.91 O ATOM 1762 CB ILE A 119 3.191 5.235 -1.333 1.00 0.76 C ATOM 1763 CG1 ILE A 119 2.715 6.248 -0.275 1.00 0.78 C ATOM 1764 CG2 ILE A 119 2.482 3.909 -1.056 1.00 0.79 C ATOM 1765 CD1 ILE A 119 2.498 7.646 -0.860 1.00 1.11 C ATOM 0 H ILE A 119 5.379 6.137 -2.939 1.00 0.68 H new ATOM 0 HA ILE A 119 4.982 4.987 -0.239 1.00 0.76 H new ATOM 0 HB ILE A 119 2.946 5.605 -2.329 1.00 0.76 H new ATOM 0 HG12 ILE A 119 1.784 5.895 0.169 1.00 0.78 H new ATOM 0 HG13 ILE A 119 3.450 6.303 0.528 1.00 0.78 H new ATOM 0 HG21 ILE A 119 1.403 4.060 -1.086 1.00 0.79 H new ATOM 0 HG22 ILE A 119 2.767 3.179 -1.813 1.00 0.79 H new ATOM 0 HG23 ILE A 119 2.770 3.541 -0.071 1.00 0.79 H new ATOM 0 HD11 ILE A 119 2.163 8.322 -0.073 1.00 1.11 H new ATOM 0 HD12 ILE A 119 3.434 8.014 -1.280 1.00 1.11 H new ATOM 0 HD13 ILE A 119 1.742 7.599 -1.644 1.00 1.11 H new ATOM 1777 N SER A 120 5.480 2.742 -1.161 1.00 0.86 N ATOM 1778 CA SER A 120 5.655 1.334 -1.496 1.00 0.84 C ATOM 1779 C SER A 120 4.698 0.550 -0.604 1.00 0.75 C ATOM 1780 O SER A 120 4.306 1.071 0.450 1.00 0.81 O ATOM 1781 CB SER A 120 7.102 0.901 -1.201 1.00 0.95 C ATOM 1782 OG SER A 120 7.634 1.501 -0.023 1.00 1.44 O ATOM 0 H SER A 120 5.609 2.903 -0.162 1.00 0.86 H new ATOM 0 HA SER A 120 5.453 1.155 -2.552 1.00 0.84 H new ATOM 0 HB2 SER A 120 7.137 -0.183 -1.097 1.00 0.95 H new ATOM 0 HB3 SER A 120 7.733 1.160 -2.051 1.00 0.95 H new ATOM 0 HG SER A 120 8.210 2.254 -0.271 1.00 1.44 H new ATOM 1788 N CYS A 121 4.332 -0.680 -0.962 1.00 0.77 N ATOM 1789 CA CYS A 121 3.667 -1.552 -0.007 1.00 0.74 C ATOM 1790 C CYS A 121 3.832 -3.028 -0.332 1.00 0.61 C ATOM 1791 O CYS A 121 3.564 -3.447 -1.456 1.00 0.77 O ATOM 1792 CB CYS A 121 2.199 -1.183 0.186 1.00 0.87 C ATOM 1793 SG CYS A 121 1.502 -2.144 1.536 1.00 1.93 S ATOM 0 H CYS A 121 4.482 -1.085 -1.886 1.00 0.77 H new ATOM 0 HA CYS A 121 4.173 -1.387 0.944 1.00 0.74 H new ATOM 0 HB2 CYS A 121 2.107 -0.118 0.400 1.00 0.87 H new ATOM 0 HB3 CYS A 121 1.643 -1.372 -0.732 1.00 0.87 H new ATOM 1798 N ASN A 122 4.283 -3.819 0.646 1.00 0.59 N ATOM 1799 CA ASN A 122 4.633 -5.220 0.443 1.00 0.57 C ATOM 1800 C ASN A 122 3.534 -6.110 1.030 1.00 0.59 C ATOM 1801 O ASN A 122 2.849 -5.701 1.974 1.00 0.72 O ATOM 1802 CB ASN A 122 5.977 -5.515 1.104 1.00 0.75 C ATOM 1803 CG ASN A 122 6.665 -6.737 0.503 1.00 1.41 C ATOM 1804 OD1 ASN A 122 6.139 -7.844 0.541 1.00 2.90 O ATOM 1805 ND2 ASN A 122 7.862 -6.554 -0.044 1.00 1.40 N ATOM 0 H ASN A 122 4.415 -3.499 1.606 1.00 0.59 H new ATOM 0 HA ASN A 122 4.719 -5.428 -0.624 1.00 0.57 H new ATOM 0 HB2 ASN A 122 6.628 -4.647 1.000 1.00 0.75 H new ATOM 0 HB3 ASN A 122 5.826 -5.675 2.172 1.00 0.75 H new ATOM 0 HD21 ASN A 122 8.366 -7.345 -0.445 1.00 1.40 H new ATOM 0 HD22 ASN A 122 8.277 -5.623 -0.063 1.00 1.40 H new ATOM 1812 N TYR A 123 3.320 -7.287 0.438 1.00 0.56 N ATOM 1813 CA TYR A 123 2.173 -8.160 0.675 1.00 0.55 C ATOM 1814 C TYR A 123 2.652 -9.610 0.718 1.00 0.58 C ATOM 1815 O TYR A 123 3.403 -10.015 -0.172 1.00 0.84 O ATOM 1816 CB TYR A 123 1.161 -8.023 -0.475 1.00 0.55 C ATOM 1817 CG TYR A 123 0.435 -6.695 -0.586 1.00 0.72 C ATOM 1818 CD1 TYR A 123 1.158 -5.525 -0.872 1.00 1.77 C ATOM 1819 CD2 TYR A 123 -0.970 -6.667 -0.673 1.00 2.13 C ATOM 1820 CE1 TYR A 123 0.490 -4.319 -1.099 1.00 1.79 C ATOM 1821 CE2 TYR A 123 -1.636 -5.477 -1.021 1.00 2.18 C ATOM 1822 CZ TYR A 123 -0.897 -4.297 -1.223 1.00 0.85 C ATOM 1823 OH TYR A 123 -1.483 -3.158 -1.677 1.00 0.85 O ATOM 0 H TYR A 123 3.969 -7.672 -0.248 1.00 0.56 H new ATOM 0 HA TYR A 123 1.702 -7.880 1.617 1.00 0.55 H new ATOM 0 HB2 TYR A 123 1.685 -8.204 -1.413 1.00 0.55 H new ATOM 0 HB3 TYR A 123 0.416 -8.811 -0.369 1.00 0.55 H new ATOM 0 HD1 TYR A 123 2.237 -5.558 -0.917 1.00 1.77 H new ATOM 0 HD2 TYR A 123 -1.539 -7.563 -0.472 1.00 2.13 H new ATOM 0 HE1 TYR A 123 1.052 -3.400 -1.179 1.00 1.79 H new ATOM 0 HE2 TYR A 123 -2.710 -5.470 -1.133 1.00 2.18 H new ATOM 0 HH TYR A 123 -2.454 -3.283 -1.715 1.00 0.85 H new ATOM 1833 N ASP A 124 2.187 -10.386 1.706 1.00 0.69 N ATOM 1834 CA ASP A 124 2.498 -11.810 1.850 1.00 0.75 C ATOM 1835 C ASP A 124 1.205 -12.642 1.887 1.00 0.72 C ATOM 1836 O ASP A 124 0.222 -12.186 2.486 1.00 0.72 O ATOM 1837 CB ASP A 124 3.303 -12.059 3.133 1.00 0.93 C ATOM 1838 CG ASP A 124 3.709 -13.507 3.242 1.00 1.27 C ATOM 1839 OD1 ASP A 124 2.917 -14.332 3.744 1.00 2.47 O ATOM 1840 OD2 ASP A 124 4.838 -13.807 2.804 1.00 1.85 O ATOM 0 H ASP A 124 1.573 -10.033 2.440 1.00 0.69 H new ATOM 0 HA ASP A 124 3.095 -12.114 0.990 1.00 0.75 H new ATOM 0 HB2 ASP A 124 4.191 -11.427 3.138 1.00 0.93 H new ATOM 0 HB3 ASP A 124 2.707 -11.778 4.001 1.00 0.93 H new ATOM 1845 N PRO A 125 1.172 -13.854 1.303 1.00 0.80 N ATOM 1846 CA PRO A 125 2.147 -14.378 0.352 1.00 0.89 C ATOM 1847 C PRO A 125 2.177 -13.518 -0.915 1.00 0.88 C ATOM 1848 O PRO A 125 1.383 -12.586 -1.061 1.00 0.84 O ATOM 1849 CB PRO A 125 1.736 -15.828 0.079 1.00 1.03 C ATOM 1850 CG PRO A 125 0.251 -15.856 0.421 1.00 1.05 C ATOM 1851 CD PRO A 125 0.126 -14.831 1.543 1.00 0.90 C ATOM 0 HA PRO A 125 3.164 -14.349 0.744 1.00 0.89 H new ATOM 0 HB2 PRO A 125 1.912 -16.105 -0.960 1.00 1.03 H new ATOM 0 HB3 PRO A 125 2.302 -16.527 0.695 1.00 1.03 H new ATOM 0 HG2 PRO A 125 -0.364 -15.588 -0.438 1.00 1.05 H new ATOM 0 HG3 PRO A 125 -0.068 -16.847 0.745 1.00 1.05 H new ATOM 0 HD2 PRO A 125 -0.857 -14.361 1.536 1.00 0.90 H new ATOM 0 HD3 PRO A 125 0.247 -15.302 2.518 1.00 0.90 H new ATOM 1859 N VAL A 126 3.149 -13.780 -1.790 1.00 0.96 N ATOM 1860 CA VAL A 126 3.521 -12.820 -2.817 1.00 0.93 C ATOM 1861 C VAL A 126 2.380 -12.318 -3.710 1.00 0.83 C ATOM 1862 O VAL A 126 1.642 -13.071 -4.355 1.00 0.80 O ATOM 1863 CB VAL A 126 4.797 -13.196 -3.583 1.00 1.04 C ATOM 1864 CG1 VAL A 126 5.994 -13.388 -2.644 1.00 1.21 C ATOM 1865 CG2 VAL A 126 4.607 -14.507 -4.357 1.00 1.15 C ATOM 0 H VAL A 126 3.688 -14.646 -1.804 1.00 0.96 H new ATOM 0 HA VAL A 126 3.780 -11.932 -2.240 1.00 0.93 H new ATOM 0 HB VAL A 126 4.993 -12.369 -4.266 1.00 1.04 H new ATOM 0 HG11 VAL A 126 6.876 -13.653 -3.228 1.00 1.21 H new ATOM 0 HG12 VAL A 126 6.183 -12.462 -2.101 1.00 1.21 H new ATOM 0 HG13 VAL A 126 5.775 -14.186 -1.934 1.00 1.21 H new ATOM 0 HG21 VAL A 126 5.526 -14.751 -4.891 1.00 1.15 H new ATOM 0 HG22 VAL A 126 4.369 -15.310 -3.660 1.00 1.15 H new ATOM 0 HG23 VAL A 126 3.792 -14.393 -5.071 1.00 1.15 H new ATOM 1875 N GLY A 127 2.276 -10.995 -3.759 1.00 1.30 N ATOM 1876 CA GLY A 127 1.324 -10.268 -4.565 1.00 1.50 C ATOM 1877 C GLY A 127 1.769 -10.161 -6.021 1.00 1.20 C ATOM 1878 O GLY A 127 2.955 -10.022 -6.323 1.00 1.18 O ATOM 0 H GLY A 127 2.881 -10.382 -3.213 1.00 1.30 H new ATOM 0 HA2 GLY A 127 0.355 -10.765 -4.518 1.00 1.50 H new ATOM 0 HA3 GLY A 127 1.189 -9.268 -4.153 1.00 1.50 H new ATOM 1882 N ASN A 128 0.795 -10.162 -6.929 1.00 1.21 N ATOM 1883 CA ASN A 128 0.966 -9.942 -8.365 1.00 1.22 C ATOM 1884 C ASN A 128 2.024 -10.854 -8.991 1.00 1.30 C ATOM 1885 O ASN A 128 2.707 -10.472 -9.939 1.00 1.52 O ATOM 1886 CB ASN A 128 1.212 -8.456 -8.661 1.00 1.27 C ATOM 1887 CG ASN A 128 0.298 -7.969 -9.778 1.00 0.93 C ATOM 1888 OD1 ASN A 128 0.408 -8.377 -10.929 1.00 1.63 O ATOM 1889 ND2 ASN A 128 -0.650 -7.103 -9.448 1.00 1.69 N ATOM 0 H ASN A 128 -0.179 -10.323 -6.673 1.00 1.21 H new ATOM 0 HA ASN A 128 0.031 -10.224 -8.849 1.00 1.22 H new ATOM 0 HB2 ASN A 128 1.038 -7.867 -7.760 1.00 1.27 H new ATOM 0 HB3 ASN A 128 2.253 -8.305 -8.945 1.00 1.27 H new ATOM 0 HD21 ASN A 128 -1.302 -6.766 -10.156 1.00 1.69 H new ATOM 0 HD22 ASN A 128 -0.727 -6.774 -8.486 1.00 1.69 H new ATOM 1896 N TRP A 129 2.168 -12.055 -8.440 1.00 1.20 N ATOM 1897 CA TRP A 129 3.130 -13.060 -8.855 1.00 1.25 C ATOM 1898 C TRP A 129 2.418 -14.017 -9.816 1.00 1.32 C ATOM 1899 O TRP A 129 1.249 -14.334 -9.609 1.00 1.41 O ATOM 1900 CB TRP A 129 3.686 -13.728 -7.586 1.00 1.14 C ATOM 1901 CG TRP A 129 3.514 -15.204 -7.430 1.00 1.14 C ATOM 1902 CD1 TRP A 129 2.362 -15.824 -7.098 1.00 1.21 C ATOM 1903 CD2 TRP A 129 4.526 -16.251 -7.496 1.00 1.28 C ATOM 1904 NE1 TRP A 129 2.571 -17.183 -7.024 1.00 1.40 N ATOM 1905 CE2 TRP A 129 3.900 -17.499 -7.209 1.00 1.43 C ATOM 1906 CE3 TRP A 129 5.916 -16.270 -7.748 1.00 1.47 C ATOM 1907 CZ2 TRP A 129 4.617 -18.702 -7.168 1.00 1.70 C ATOM 1908 CZ3 TRP A 129 6.644 -17.474 -7.716 1.00 1.70 C ATOM 1909 CH2 TRP A 129 5.997 -18.688 -7.423 1.00 1.80 C ATOM 0 H TRP A 129 1.590 -12.364 -7.658 1.00 1.20 H new ATOM 0 HA TRP A 129 3.984 -12.651 -9.394 1.00 1.25 H new ATOM 0 HB2 TRP A 129 4.753 -13.510 -7.536 1.00 1.14 H new ATOM 0 HB3 TRP A 129 3.221 -13.246 -6.726 1.00 1.14 H new ATOM 0 HD1 TRP A 129 1.419 -15.329 -6.918 1.00 1.21 H new ATOM 0 HE1 TRP A 129 1.836 -17.869 -6.854 1.00 1.40 H new ATOM 0 HE3 TRP A 129 6.428 -15.345 -7.969 1.00 1.47 H new ATOM 0 HZ2 TRP A 129 4.113 -19.630 -6.943 1.00 1.70 H new ATOM 0 HZ3 TRP A 129 7.705 -17.466 -7.917 1.00 1.70 H new ATOM 0 HH2 TRP A 129 6.561 -19.608 -7.394 1.00 1.80 H new ATOM 1920 N ILE A 130 3.080 -14.447 -10.888 1.00 1.56 N ATOM 1921 CA ILE A 130 2.494 -15.436 -11.783 1.00 1.64 C ATOM 1922 C ILE A 130 2.301 -16.758 -11.031 1.00 1.68 C ATOM 1923 O ILE A 130 3.078 -17.069 -10.137 1.00 1.93 O ATOM 1924 CB ILE A 130 3.317 -15.540 -13.090 1.00 2.06 C ATOM 1925 CG1 ILE A 130 2.388 -15.347 -14.302 1.00 2.26 C ATOM 1926 CG2 ILE A 130 4.162 -16.820 -13.181 1.00 2.36 C ATOM 1927 CD1 ILE A 130 3.134 -15.339 -15.640 1.00 2.85 C ATOM 0 H ILE A 130 4.012 -14.129 -11.154 1.00 1.56 H new ATOM 0 HA ILE A 130 1.499 -15.127 -12.104 1.00 1.64 H new ATOM 0 HB ILE A 130 4.052 -14.735 -13.087 1.00 2.06 H new ATOM 0 HG12 ILE A 130 1.645 -16.145 -14.313 1.00 2.26 H new ATOM 0 HG13 ILE A 130 1.846 -14.408 -14.190 1.00 2.26 H new ATOM 0 HG21 ILE A 130 4.712 -16.827 -14.122 1.00 2.36 H new ATOM 0 HG22 ILE A 130 4.866 -16.851 -12.349 1.00 2.36 H new ATOM 0 HG23 ILE A 130 3.509 -17.691 -13.137 1.00 2.36 H new ATOM 0 HD11 ILE A 130 2.422 -15.199 -16.453 1.00 2.85 H new ATOM 0 HD12 ILE A 130 3.858 -14.524 -15.648 1.00 2.85 H new ATOM 0 HD13 ILE A 130 3.654 -16.288 -15.772 1.00 2.85 H new ATOM 1939 N GLY A 131 1.271 -17.527 -11.390 1.00 1.76 N ATOM 1940 CA GLY A 131 0.921 -18.743 -10.669 1.00 2.06 C ATOM 1941 C GLY A 131 0.107 -18.389 -9.427 1.00 2.10 C ATOM 1942 O GLY A 131 0.468 -18.737 -8.305 1.00 3.31 O ATOM 0 H GLY A 131 0.663 -17.323 -12.183 1.00 1.76 H new ATOM 0 HA2 GLY A 131 0.347 -19.407 -11.315 1.00 2.06 H new ATOM 0 HA3 GLY A 131 1.825 -19.280 -10.382 1.00 2.06 H new ATOM 1946 N GLN A 132 -0.990 -17.656 -9.628 1.00 1.43 N ATOM 1947 CA GLN A 132 -1.972 -17.360 -8.600 1.00 1.42 C ATOM 1948 C GLN A 132 -3.295 -17.043 -9.301 1.00 1.30 C ATOM 1949 O GLN A 132 -3.340 -16.999 -10.530 1.00 2.13 O ATOM 1950 CB GLN A 132 -1.482 -16.155 -7.789 1.00 1.69 C ATOM 1951 CG GLN A 132 -1.820 -16.204 -6.295 1.00 2.15 C ATOM 1952 CD GLN A 132 -1.051 -17.290 -5.554 1.00 1.75 C ATOM 1953 OE1 GLN A 132 -1.557 -18.392 -5.388 1.00 2.79 O ATOM 1954 NE2 GLN A 132 0.151 -16.984 -5.079 1.00 1.72 N ATOM 0 H GLN A 132 -1.219 -17.245 -10.533 1.00 1.43 H new ATOM 0 HA GLN A 132 -2.112 -18.201 -7.921 1.00 1.42 H new ATOM 0 HB2 GLN A 132 -0.401 -16.076 -7.900 1.00 1.69 H new ATOM 0 HB3 GLN A 132 -1.913 -15.249 -8.215 1.00 1.69 H new ATOM 0 HG2 GLN A 132 -1.599 -15.236 -5.845 1.00 2.15 H new ATOM 0 HG3 GLN A 132 -2.890 -16.375 -6.174 1.00 2.15 H new ATOM 0 HE21 GLN A 132 0.540 -16.055 -5.237 1.00 1.72 H new ATOM 0 HE22 GLN A 132 0.685 -17.678 -4.556 1.00 1.72 H new ATOM 1963 N ARG A 133 -4.336 -16.731 -8.529 1.00 1.44 N ATOM 1964 CA ARG A 133 -5.508 -15.999 -8.991 1.00 1.38 C ATOM 1965 C ARG A 133 -5.505 -14.638 -8.281 1.00 1.06 C ATOM 1966 O ARG A 133 -5.273 -14.614 -7.070 1.00 1.07 O ATOM 1967 CB ARG A 133 -6.784 -16.750 -8.604 1.00 1.75 C ATOM 1968 CG ARG A 133 -7.119 -17.912 -9.542 1.00 2.30 C ATOM 1969 CD ARG A 133 -8.471 -18.503 -9.114 1.00 3.13 C ATOM 1970 NE ARG A 133 -8.928 -19.574 -10.012 1.00 3.49 N ATOM 1971 CZ ARG A 133 -9.710 -19.398 -11.090 1.00 3.96 C ATOM 1972 NH1 ARG A 133 -9.969 -18.169 -11.547 1.00 4.25 N ATOM 1973 NH2 ARG A 133 -10.223 -20.468 -11.710 1.00 5.00 N ATOM 0 H ARG A 133 -4.386 -16.988 -7.543 1.00 1.44 H new ATOM 0 HA ARG A 133 -5.479 -15.887 -10.075 1.00 1.38 H new ATOM 0 HB2 ARG A 133 -6.677 -17.133 -7.589 1.00 1.75 H new ATOM 0 HB3 ARG A 133 -7.619 -16.050 -8.594 1.00 1.75 H new ATOM 0 HG2 ARG A 133 -7.166 -17.565 -10.574 1.00 2.30 H new ATOM 0 HG3 ARG A 133 -6.340 -18.673 -9.497 1.00 2.30 H new ATOM 0 HD2 ARG A 133 -8.388 -18.894 -8.100 1.00 3.13 H new ATOM 0 HD3 ARG A 133 -9.219 -17.710 -9.089 1.00 3.13 H new ATOM 0 HE ARG A 133 -8.628 -20.525 -9.800 1.00 3.49 H new ATOM 0 HH11 ARG A 133 -9.572 -17.356 -11.077 1.00 4.25 H new ATOM 0 HH12 ARG A 133 -10.564 -18.044 -12.366 1.00 4.25 H new ATOM 0 HH21 ARG A 133 -10.019 -21.405 -11.363 1.00 5.00 H new ATOM 0 HH22 ARG A 133 -10.818 -20.346 -12.529 1.00 5.00 H new ATOM 1987 N PRO A 134 -5.742 -13.523 -8.990 1.00 0.87 N ATOM 1988 CA PRO A 134 -5.869 -12.216 -8.371 1.00 0.66 C ATOM 1989 C PRO A 134 -7.225 -12.051 -7.690 1.00 0.69 C ATOM 1990 O PRO A 134 -7.288 -11.529 -6.584 1.00 0.84 O ATOM 1991 CB PRO A 134 -5.705 -11.202 -9.501 1.00 0.63 C ATOM 1992 CG PRO A 134 -6.170 -11.964 -10.745 1.00 0.81 C ATOM 1993 CD PRO A 134 -5.850 -13.428 -10.437 1.00 0.98 C ATOM 0 HA PRO A 134 -5.119 -12.077 -7.592 1.00 0.66 H new ATOM 0 HB2 PRO A 134 -6.308 -10.310 -9.329 1.00 0.63 H new ATOM 0 HB3 PRO A 134 -4.670 -10.873 -9.597 1.00 0.63 H new ATOM 0 HG2 PRO A 134 -7.235 -11.819 -10.924 1.00 0.81 H new ATOM 0 HG3 PRO A 134 -5.647 -11.623 -11.638 1.00 0.81 H new ATOM 0 HD2 PRO A 134 -6.634 -14.085 -10.813 1.00 0.98 H new ATOM 0 HD3 PRO A 134 -4.920 -13.733 -10.918 1.00 0.98 H new ATOM 2001 N TYR A 135 -8.303 -12.452 -8.354 1.00 0.75 N ATOM 2002 CA TYR A 135 -9.639 -12.506 -7.798 1.00 0.79 C ATOM 2003 C TYR A 135 -10.138 -13.923 -8.094 1.00 1.04 C ATOM 2004 O TYR A 135 -9.540 -14.501 -9.028 1.00 1.46 O ATOM 2005 CB TYR A 135 -10.547 -11.357 -8.308 1.00 0.62 C ATOM 2006 CG TYR A 135 -10.452 -10.861 -9.747 1.00 0.58 C ATOM 2007 CD1 TYR A 135 -9.317 -10.125 -10.134 1.00 2.02 C ATOM 2008 CD2 TYR A 135 -11.645 -10.672 -10.470 1.00 1.84 C ATOM 2009 CE1 TYR A 135 -9.367 -9.228 -11.215 1.00 2.22 C ATOM 2010 CE2 TYR A 135 -11.713 -9.735 -11.516 1.00 1.92 C ATOM 2011 CZ TYR A 135 -10.576 -9.002 -11.889 1.00 1.24 C ATOM 2012 OH TYR A 135 -10.642 -8.093 -12.905 1.00 1.70 O ATOM 2013 OXT TYR A 135 -10.458 -14.591 -7.089 1.00 2.25 O ATOM 0 H TYR A 135 -8.264 -12.758 -9.326 1.00 0.75 H new ATOM 0 HA TYR A 135 -9.652 -12.331 -6.722 1.00 0.79 H new ATOM 0 HB2 TYR A 135 -11.579 -11.669 -8.145 1.00 0.62 H new ATOM 0 HB3 TYR A 135 -10.368 -10.498 -7.662 1.00 0.62 H new ATOM 0 HD1 TYR A 135 -8.392 -10.251 -9.591 1.00 2.02 H new ATOM 0 HD2 TYR A 135 -12.519 -11.254 -10.218 1.00 1.84 H new ATOM 0 HE1 TYR A 135 -8.472 -8.711 -11.528 1.00 2.22 H new ATOM 0 HE2 TYR A 135 -12.647 -9.578 -12.036 1.00 1.92 H new ATOM 0 HH TYR A 135 -9.773 -8.042 -13.355 1.00 1.70 H new