USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 752 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 49 LYS NZ :NH3+ 176:sc= 0 (180deg=0) USER MOD Set 1.2: A 52 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Set 2.1: A 31 SER OG : rot -123:sc= -3.5! USER MOD Set 2.2: A 68 HIS : no HE2:sc= -3.95! C(o=-7.4!,f=-8.9!) USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 17 ASN : amide:sc= -3.23! C(o=-3.2!,f=-3.6!) USER MOD Single : A 1 MET CE :methyl 132:sc= -1.22 (180deg=-3.26!) USER MOD Single : A 1 MET N :NH3+ 149:sc= 0 (180deg=-0.316) USER MOD Single : A 6 MET CE :methyl -165:sc= 0 (180deg=-0.0154) USER MOD Single : A 8 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.2) USER MOD Single : A 9 ASN : amide:sc= -0.0403 K(o=-0.04,f=-1.2!) USER MOD Single : A 12 GLN : amide:sc= -4.42! C(o=-4.4!,f=-6.6!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 83:sc= 0.772 USER MOD Single : A 22 GLN : amide:sc= -0.0524 X(o=-0.052,f=-0.53) USER MOD Single : A 25 HIS : no HD1:sc= -4.81! C(o=-4.8!,f=-6.9!) USER MOD Single : A 27 SER OG : rot 126:sc= -0.252 USER MOD Single : A 32 HIS : no HD1:sc= -0.937 K(o=-0.94,f=-1.5) USER MOD Single : A 34 GLN : amide:sc= -3.8 K(o=-3.8,f=-9.5!) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 159:sc= -5.17 (180deg=-6.66!) USER MOD Single : A 51 GLN : amide:sc= -1.23! K(o=-1.2!,f=-0.7) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= -3.08! USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 0:sc= -0.362 USER MOD Single : A 65 ASN : amide:sc= -4.53! C(o=-4.5!,f=-4.3!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc=-0.000299 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.368 USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0252) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 92 HIS : no HE2:sc= -3.19! C(o=-3.2!,f=-4.5!) USER MOD Single : A 93 HIS : no HD1:sc= 0.0398 K(o=0.04,f=-0.61) USER MOD Single : A 94 HIS : no HD1:sc= -0.0385 X(o=-0.039,f=-0.24) USER MOD Single : A 95 HIS : no HD1:sc= -0.492 X(o=-0.49,f=-0.97) USER MOD Single : A 96 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.035) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C MET A 1 3.072 -1.158 -1.285 1.00 0.00 C ATOM 4 O MET A 1 4.267 -0.945 -1.483 1.00 0.00 O ATOM 5 CB MET A 1 2.823 1.326 -1.391 1.00 0.00 C ATOM 6 CG MET A 1 1.983 2.349 -2.159 1.00 0.00 C ATOM 7 SD MET A 1 2.161 2.089 -3.916 1.00 0.00 S ATOM 8 CE MET A 1 0.740 1.053 -4.222 1.00 0.00 C ATOM 0 H1 MET A 1 1.076 0.977 0.255 1.00 0.00 H new ATOM 0 H2 MET A 1 0.456 -0.560 -0.117 1.00 0.00 H new ATOM 0 H3 MET A 1 1.907 -0.417 0.754 1.00 0.00 H new ATOM 0 HA MET A 1 1.370 -0.123 -2.069 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.069 1.719 -0.405 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.766 1.159 -1.912 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.935 2.259 -1.874 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.298 3.359 -1.899 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.193 1.431 -5.086 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.069 0.033 -4.420 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.089 1.061 -3.348 1.00 0.00 H new ATOM 18 N ILE A 2 2.545 -2.359 -1.093 1.00 0.00 N ATOM 19 CA ILE A 2 3.376 -3.551 -1.105 1.00 0.00 C ATOM 20 C ILE A 2 2.484 -4.790 -0.999 1.00 0.00 C ATOM 21 O ILE A 2 2.638 -5.737 -1.768 1.00 0.00 O ATOM 22 CB ILE A 2 4.446 -3.469 -0.014 1.00 0.00 C ATOM 23 CG1 ILE A 2 5.466 -4.600 -0.160 1.00 0.00 C ATOM 24 CG2 ILE A 2 3.810 -3.447 1.377 1.00 0.00 C ATOM 25 CD1 ILE A 2 6.512 -4.261 -1.225 1.00 0.00 C ATOM 0 H ILE A 2 1.553 -2.532 -0.928 1.00 0.00 H new ATOM 0 HA ILE A 2 3.919 -3.628 -2.047 1.00 0.00 H new ATOM 0 HB ILE A 2 4.987 -2.530 -0.136 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.959 -4.776 0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.954 -5.524 -0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 2 4.592 -3.388 2.134 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.155 -2.580 1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.229 -4.357 1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.225 -5.081 -1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.018 -4.110 -2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.039 -3.350 -0.941 1.00 0.00 H new ATOM 37 N GLU A 3 1.571 -4.742 -0.040 1.00 0.00 N ATOM 38 CA GLU A 3 0.654 -5.849 0.176 1.00 0.00 C ATOM 39 C GLU A 3 1.405 -7.058 0.735 1.00 0.00 C ATOM 40 O GLU A 3 2.474 -7.414 0.240 1.00 0.00 O ATOM 41 CB GLU A 3 -0.083 -6.210 -1.116 1.00 0.00 C ATOM 42 CG GLU A 3 -0.615 -4.956 -1.812 1.00 0.00 C ATOM 43 CD GLU A 3 -2.057 -4.665 -1.390 1.00 0.00 C ATOM 44 OE1 GLU A 3 -2.377 -4.728 -0.194 1.00 0.00 O ATOM 45 OE2 GLU A 3 -2.857 -4.362 -2.356 1.00 0.00 O ATOM 0 H GLU A 3 1.446 -3.954 0.596 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.093 -5.540 0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.591 -6.744 -1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -0.910 -6.884 -0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 3 0.018 -4.103 -1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -0.568 -5.088 -2.893 1.00 0.00 H new ATOM 53 N ASP A 4 0.817 -7.657 1.760 1.00 0.00 N ATOM 54 CA ASP A 4 1.417 -8.820 2.393 1.00 0.00 C ATOM 55 C ASP A 4 0.735 -9.072 3.738 1.00 0.00 C ATOM 56 O ASP A 4 0.206 -8.148 4.353 1.00 0.00 O ATOM 57 CB ASP A 4 2.908 -8.597 2.654 1.00 0.00 C ATOM 58 CG ASP A 4 3.840 -9.612 1.989 1.00 0.00 C ATOM 59 OD1 ASP A 4 3.393 -10.497 1.244 1.00 0.00 O ATOM 60 OD2 ASP A 4 5.091 -9.467 2.266 1.00 0.00 O ATOM 0 H ASP A 4 -0.069 -7.359 2.168 1.00 0.00 H new ATOM 0 HA ASP A 4 1.291 -9.671 1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 4 3.177 -7.599 2.308 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.080 -8.619 3.730 1.00 0.00 H new ATOM 66 N PRO A 5 0.769 -10.362 4.167 1.00 0.00 N ATOM 67 CA PRO A 5 0.160 -10.748 5.429 1.00 0.00 C ATOM 68 C PRO A 5 1.017 -10.295 6.613 1.00 0.00 C ATOM 69 O PRO A 5 1.396 -11.107 7.456 1.00 0.00 O ATOM 70 CB PRO A 5 0.010 -12.259 5.348 1.00 0.00 C ATOM 71 CG PRO A 5 0.958 -12.713 4.250 1.00 0.00 C ATOM 72 CD PRO A 5 1.387 -11.484 3.466 1.00 0.00 C ATOM 0 HA PRO A 5 -0.808 -10.273 5.591 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.261 -12.728 6.299 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.018 -12.538 5.117 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.826 -13.214 4.678 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.466 -13.431 3.594 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.472 -11.388 3.444 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.051 -11.538 2.431 1.00 0.00 H new ATOM 80 N MET A 6 1.298 -9.001 6.638 1.00 0.00 N ATOM 81 CA MET A 6 2.104 -8.430 7.704 1.00 0.00 C ATOM 82 C MET A 6 1.331 -7.342 8.452 1.00 0.00 C ATOM 83 O MET A 6 1.486 -7.186 9.663 1.00 0.00 O ATOM 84 CB MET A 6 3.383 -7.834 7.114 1.00 0.00 C ATOM 85 CG MET A 6 4.621 -8.566 7.638 1.00 0.00 C ATOM 86 SD MET A 6 5.584 -7.475 8.671 1.00 0.00 S ATOM 87 CE MET A 6 4.941 -7.920 10.276 1.00 0.00 C ATOM 0 H MET A 6 0.982 -8.331 5.937 1.00 0.00 H new ATOM 0 HA MET A 6 2.354 -9.222 8.410 1.00 0.00 H new ATOM 0 HB2 MET A 6 3.351 -7.899 6.026 1.00 0.00 H new ATOM 0 HB3 MET A 6 3.447 -6.776 7.368 1.00 0.00 H new ATOM 0 HG2 MET A 6 4.320 -9.446 8.206 1.00 0.00 H new ATOM 0 HG3 MET A 6 5.226 -8.918 6.803 1.00 0.00 H new ATOM 0 HE1 MET A 6 5.229 -7.164 11.006 1.00 0.00 H new ATOM 0 HE2 MET A 6 3.854 -7.982 10.228 1.00 0.00 H new ATOM 0 HE3 MET A 6 5.347 -8.886 10.575 1.00 0.00 H new ATOM 97 N GLU A 7 0.516 -6.617 7.701 1.00 0.00 N ATOM 98 CA GLU A 7 -0.281 -5.548 8.278 1.00 0.00 C ATOM 99 C GLU A 7 0.616 -4.378 8.687 1.00 0.00 C ATOM 100 O GLU A 7 0.991 -4.256 9.852 1.00 0.00 O ATOM 101 CB GLU A 7 -1.098 -6.054 9.468 1.00 0.00 C ATOM 102 CG GLU A 7 -1.750 -7.402 9.152 1.00 0.00 C ATOM 103 CD GLU A 7 -2.169 -8.123 10.435 1.00 0.00 C ATOM 104 OE1 GLU A 7 -1.396 -8.928 10.975 1.00 0.00 O ATOM 105 OE2 GLU A 7 -3.344 -7.820 10.872 1.00 0.00 O ATOM 0 H GLU A 7 0.390 -6.749 6.697 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.982 -5.196 7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.453 -6.154 10.341 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.867 -5.325 9.722 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.622 -7.248 8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.053 -8.025 8.592 1.00 0.00 H new ATOM 113 N ASN A 8 0.934 -3.547 7.705 1.00 0.00 N ATOM 114 CA ASN A 8 1.780 -2.391 7.948 1.00 0.00 C ATOM 115 C ASN A 8 0.908 -1.138 8.054 1.00 0.00 C ATOM 116 O ASN A 8 1.360 -0.035 7.753 1.00 0.00 O ATOM 117 CB ASN A 8 2.770 -2.181 6.801 1.00 0.00 C ATOM 118 CG ASN A 8 3.650 -3.417 6.603 1.00 0.00 C ATOM 119 OD1 ASN A 8 3.187 -4.492 6.259 1.00 0.00 O ATOM 120 ND2 ASN A 8 4.941 -3.205 6.839 1.00 0.00 N ATOM 0 H ASN A 8 0.621 -3.651 6.740 1.00 0.00 H new ATOM 0 HA ASN A 8 2.330 -2.566 8.872 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.226 -1.966 5.881 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.396 -1.314 7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.610 -3.968 6.735 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.262 -2.280 7.124 1.00 0.00 H new ATOM 127 N ASN A 9 -0.328 -1.351 8.484 1.00 0.00 N ATOM 128 CA ASN A 9 -1.268 -0.254 8.633 1.00 0.00 C ATOM 129 C ASN A 9 -0.971 0.493 9.936 1.00 0.00 C ATOM 130 O ASN A 9 -1.363 1.647 10.097 1.00 0.00 O ATOM 131 CB ASN A 9 -2.707 -0.766 8.700 1.00 0.00 C ATOM 132 CG ASN A 9 -3.706 0.372 8.480 1.00 0.00 C ATOM 133 OD1 ASN A 9 -3.446 1.332 7.774 1.00 0.00 O ATOM 134 ND2 ASN A 9 -4.859 0.211 9.122 1.00 0.00 N ATOM 0 H ASN A 9 -0.699 -2.268 8.734 1.00 0.00 H new ATOM 0 HA ASN A 9 -1.159 0.402 7.770 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.858 -1.538 7.945 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.887 -1.230 9.670 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.592 0.916 9.039 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.011 -0.618 9.697 1.00 0.00 H new ATOM 141 N GLU A 10 -0.280 -0.197 10.831 1.00 0.00 N ATOM 142 CA GLU A 10 0.074 0.386 12.114 1.00 0.00 C ATOM 143 C GLU A 10 1.074 1.527 11.921 1.00 0.00 C ATOM 144 O GLU A 10 0.925 2.595 12.513 1.00 0.00 O ATOM 145 CB GLU A 10 0.632 -0.677 13.064 1.00 0.00 C ATOM 146 CG GLU A 10 0.068 -0.500 14.476 1.00 0.00 C ATOM 147 CD GLU A 10 -0.394 -1.840 15.053 1.00 0.00 C ATOM 148 OE1 GLU A 10 -0.789 -2.738 14.295 1.00 0.00 O ATOM 149 OE2 GLU A 10 -0.330 -1.931 16.338 1.00 0.00 O ATOM 0 H GLU A 10 0.044 -1.154 10.693 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.830 0.794 12.567 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.383 -1.670 12.691 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.720 -0.610 13.092 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.829 -0.064 15.123 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.769 0.198 14.453 1.00 0.00 H new ATOM 157 N ILE A 11 2.071 1.263 11.089 1.00 0.00 N ATOM 158 CA ILE A 11 3.096 2.255 10.810 1.00 0.00 C ATOM 159 C ILE A 11 2.462 3.447 10.090 1.00 0.00 C ATOM 160 O ILE A 11 2.898 4.584 10.263 1.00 0.00 O ATOM 161 CB ILE A 11 4.260 1.622 10.045 1.00 0.00 C ATOM 162 CG1 ILE A 11 4.552 0.212 10.560 1.00 0.00 C ATOM 163 CG2 ILE A 11 5.499 2.519 10.093 1.00 0.00 C ATOM 164 CD1 ILE A 11 3.929 -0.846 9.647 1.00 0.00 C ATOM 0 H ILE A 11 2.191 0.376 10.599 1.00 0.00 H new ATOM 0 HA ILE A 11 3.524 2.633 11.738 1.00 0.00 H new ATOM 0 HB ILE A 11 3.971 1.528 8.998 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.630 0.058 10.618 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.159 0.102 11.571 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.312 2.046 9.542 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.267 3.484 9.642 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.801 2.667 11.130 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.152 -1.839 10.036 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.849 -0.705 9.610 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.342 -0.749 8.643 1.00 0.00 H new ATOM 176 N GLN A 12 1.444 3.147 9.298 1.00 0.00 N ATOM 177 CA GLN A 12 0.746 4.179 8.552 1.00 0.00 C ATOM 178 C GLN A 12 -0.158 4.989 9.483 1.00 0.00 C ATOM 179 O GLN A 12 -0.242 6.211 9.366 1.00 0.00 O ATOM 180 CB GLN A 12 -0.057 3.575 7.398 1.00 0.00 C ATOM 181 CG GLN A 12 0.794 3.477 6.130 1.00 0.00 C ATOM 182 CD GLN A 12 0.196 2.469 5.146 1.00 0.00 C ATOM 183 OE1 GLN A 12 0.880 1.624 4.592 1.00 0.00 O ATOM 184 NE2 GLN A 12 -1.113 2.606 4.960 1.00 0.00 N ATOM 0 H GLN A 12 1.085 2.203 9.157 1.00 0.00 H new ATOM 0 HA GLN A 12 1.488 4.852 8.122 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.414 2.584 7.678 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.937 4.188 7.203 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.862 4.456 5.657 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.809 3.178 6.391 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.625 3.335 5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.605 1.982 4.321 1.00 0.00 H new ATOM 193 N SER A 13 -0.812 4.276 10.388 1.00 0.00 N ATOM 194 CA SER A 13 -1.706 4.913 11.340 1.00 0.00 C ATOM 195 C SER A 13 -0.902 5.759 12.329 1.00 0.00 C ATOM 196 O SER A 13 -1.404 6.751 12.854 1.00 0.00 O ATOM 197 CB SER A 13 -2.544 3.874 12.088 1.00 0.00 C ATOM 198 OG SER A 13 -3.588 4.478 12.849 1.00 0.00 O ATOM 0 H SER A 13 -0.741 3.263 10.482 1.00 0.00 H new ATOM 0 HA SER A 13 -2.387 5.561 10.789 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.975 3.173 11.373 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.899 3.297 12.751 1.00 0.00 H new ATOM 0 HG SER A 13 -4.101 3.782 13.311 1.00 0.00 H new ATOM 204 N VAL A 14 0.333 5.335 12.553 1.00 0.00 N ATOM 205 CA VAL A 14 1.212 6.042 13.470 1.00 0.00 C ATOM 206 C VAL A 14 1.768 7.288 12.778 1.00 0.00 C ATOM 207 O VAL A 14 1.837 8.358 13.380 1.00 0.00 O ATOM 208 CB VAL A 14 2.306 5.100 13.976 1.00 0.00 C ATOM 209 CG1 VAL A 14 3.339 5.858 14.812 1.00 0.00 C ATOM 210 CG2 VAL A 14 1.706 3.937 14.769 1.00 0.00 C ATOM 0 H VAL A 14 0.746 4.511 12.116 1.00 0.00 H new ATOM 0 HA VAL A 14 0.659 6.378 14.347 1.00 0.00 H new ATOM 0 HB VAL A 14 2.817 4.684 13.108 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.105 5.165 15.159 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.801 6.635 14.203 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.847 6.315 15.671 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.506 3.283 15.117 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.157 4.326 15.626 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.028 3.372 14.130 1.00 0.00 H new ATOM 220 N LEU A 15 2.151 7.107 11.522 1.00 0.00 N ATOM 221 CA LEU A 15 2.699 8.204 10.742 1.00 0.00 C ATOM 222 C LEU A 15 1.666 9.328 10.655 1.00 0.00 C ATOM 223 O LEU A 15 2.006 10.501 10.801 1.00 0.00 O ATOM 224 CB LEU A 15 3.180 7.703 9.379 1.00 0.00 C ATOM 225 CG LEU A 15 3.262 8.754 8.270 1.00 0.00 C ATOM 226 CD1 LEU A 15 4.349 9.787 8.573 1.00 0.00 C ATOM 227 CD2 LEU A 15 3.464 8.095 6.904 1.00 0.00 C ATOM 0 H LEU A 15 2.093 6.218 11.026 1.00 0.00 H new ATOM 0 HA LEU A 15 3.580 8.618 11.233 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.167 7.258 9.505 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.512 6.907 9.050 1.00 0.00 H new ATOM 0 HG LEU A 15 2.312 9.287 8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.386 10.522 7.769 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.122 10.289 9.514 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.314 9.287 8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.519 8.864 6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.391 7.521 6.910 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.627 7.430 6.694 1.00 0.00 H new ATOM 239 N MET A 16 0.424 8.931 10.418 1.00 0.00 N ATOM 240 CA MET A 16 -0.661 9.891 10.310 1.00 0.00 C ATOM 241 C MET A 16 -1.111 10.368 11.692 1.00 0.00 C ATOM 242 O MET A 16 -1.378 11.552 11.888 1.00 0.00 O ATOM 243 CB MET A 16 -1.842 9.247 9.581 1.00 0.00 C ATOM 244 CG MET A 16 -1.600 9.209 8.071 1.00 0.00 C ATOM 245 SD MET A 16 -3.157 9.087 7.206 1.00 0.00 S ATOM 246 CE MET A 16 -2.604 9.362 5.532 1.00 0.00 C ATOM 0 H MET A 16 0.145 7.957 10.298 1.00 0.00 H new ATOM 0 HA MET A 16 -0.303 10.754 9.748 1.00 0.00 H new ATOM 0 HB2 MET A 16 -1.996 8.234 9.954 1.00 0.00 H new ATOM 0 HB3 MET A 16 -2.753 9.806 9.793 1.00 0.00 H new ATOM 0 HG2 MET A 16 -1.069 10.108 7.757 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.966 8.359 7.817 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.457 9.319 4.855 1.00 0.00 H new ATOM 0 HE2 MET A 16 -2.134 10.343 5.461 1.00 0.00 H new ATOM 0 HE3 MET A 16 -1.883 8.593 5.256 1.00 0.00 H new ATOM 256 N ASN A 17 -1.182 9.420 12.615 1.00 0.00 N ATOM 257 CA ASN A 17 -1.595 9.728 13.974 1.00 0.00 C ATOM 258 C ASN A 17 -0.706 10.840 14.534 1.00 0.00 C ATOM 259 O ASN A 17 -1.158 11.658 15.333 1.00 0.00 O ATOM 260 CB ASN A 17 -1.453 8.506 14.883 1.00 0.00 C ATOM 261 CG ASN A 17 -2.735 7.670 14.883 1.00 0.00 C ATOM 262 OD1 ASN A 17 -3.832 8.169 14.700 1.00 0.00 O ATOM 263 ND2 ASN A 17 -2.534 6.373 15.097 1.00 0.00 N ATOM 0 H ASN A 17 -0.961 8.438 12.449 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.640 10.038 13.946 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.616 7.894 14.547 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.225 8.829 15.899 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.326 5.730 15.115 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.588 6.021 15.243 1.00 0.00 H new ATOM 270 N ALA A 18 0.543 10.834 14.091 1.00 0.00 N ATOM 271 CA ALA A 18 1.500 11.832 14.538 1.00 0.00 C ATOM 272 C ALA A 18 1.351 13.093 13.685 1.00 0.00 C ATOM 273 O ALA A 18 1.224 14.195 14.217 1.00 0.00 O ATOM 274 CB ALA A 18 2.913 11.248 14.475 1.00 0.00 C ATOM 0 H ALA A 18 0.914 10.154 13.427 1.00 0.00 H new ATOM 0 HA ALA A 18 1.309 12.111 15.574 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.631 11.996 14.810 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.974 10.372 15.121 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.142 10.959 13.449 1.00 0.00 H new ATOM 280 N LEU A 19 1.371 12.889 12.376 1.00 0.00 N ATOM 281 CA LEU A 19 1.240 13.996 11.444 1.00 0.00 C ATOM 282 C LEU A 19 0.511 13.515 10.188 1.00 0.00 C ATOM 283 O LEU A 19 -0.630 13.062 10.263 1.00 0.00 O ATOM 284 CB LEU A 19 2.606 14.623 11.161 1.00 0.00 C ATOM 285 CG LEU A 19 3.714 13.654 10.742 1.00 0.00 C ATOM 286 CD1 LEU A 19 4.513 14.212 9.562 1.00 0.00 C ATOM 287 CD2 LEU A 19 4.614 13.304 11.929 1.00 0.00 C ATOM 0 H LEU A 19 1.476 11.973 11.939 1.00 0.00 H new ATOM 0 HA LEU A 19 0.635 14.791 11.879 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.486 15.368 10.375 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.933 15.153 12.056 1.00 0.00 H new ATOM 0 HG LEU A 19 3.249 12.727 10.406 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.294 13.504 9.284 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.847 14.369 8.714 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.968 15.161 9.847 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.393 12.614 11.604 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.073 14.213 12.318 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.018 12.835 12.712 1.00 0.00 H new ATOM 299 N SER A 20 1.200 13.632 9.062 1.00 0.00 N ATOM 300 CA SER A 20 0.632 13.215 7.791 1.00 0.00 C ATOM 301 C SER A 20 1.354 13.918 6.640 1.00 0.00 C ATOM 302 O SER A 20 2.366 14.585 6.852 1.00 0.00 O ATOM 303 CB SER A 20 -0.868 13.509 7.734 1.00 0.00 C ATOM 304 OG SER A 20 -1.646 12.402 8.182 1.00 0.00 O ATOM 0 H SER A 20 2.146 14.009 9.003 1.00 0.00 H new ATOM 0 HA SER A 20 0.767 12.138 7.694 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.090 14.381 8.349 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.150 13.760 6.711 1.00 0.00 H new ATOM 0 HG SER A 20 -1.696 12.412 9.161 1.00 0.00 H new ATOM 310 N LEU A 21 0.807 13.744 5.446 1.00 0.00 N ATOM 311 CA LEU A 21 1.386 14.354 4.261 1.00 0.00 C ATOM 312 C LEU A 21 0.416 14.200 3.087 1.00 0.00 C ATOM 313 O LEU A 21 0.217 15.136 2.315 1.00 0.00 O ATOM 314 CB LEU A 21 2.777 13.779 3.988 1.00 0.00 C ATOM 315 CG LEU A 21 3.898 14.801 3.788 1.00 0.00 C ATOM 316 CD1 LEU A 21 4.577 15.138 5.117 1.00 0.00 C ATOM 317 CD2 LEU A 21 4.901 14.316 2.739 1.00 0.00 C ATOM 0 H LEU A 21 -0.031 13.189 5.274 1.00 0.00 H new ATOM 0 HA LEU A 21 1.533 15.423 4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.049 13.129 4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.721 13.152 3.098 1.00 0.00 H new ATOM 0 HG LEU A 21 3.456 15.723 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.370 15.866 4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.842 15.556 5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.003 14.232 5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.687 15.061 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.341 13.374 3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.390 14.168 1.788 1.00 0.00 H new ATOM 329 N GLN A 22 -0.161 13.011 2.990 1.00 0.00 N ATOM 330 CA GLN A 22 -1.105 12.722 1.924 1.00 0.00 C ATOM 331 C GLN A 22 -1.189 11.214 1.683 1.00 0.00 C ATOM 332 O GLN A 22 -2.186 10.581 2.026 1.00 0.00 O ATOM 333 CB GLN A 22 -0.725 13.462 0.640 1.00 0.00 C ATOM 334 CG GLN A 22 -1.633 14.673 0.415 1.00 0.00 C ATOM 335 CD GLN A 22 -2.148 14.712 -1.025 1.00 0.00 C ATOM 336 OE1 GLN A 22 -1.480 14.306 -1.962 1.00 0.00 O ATOM 337 NE2 GLN A 22 -3.370 15.223 -1.149 1.00 0.00 N ATOM 0 H GLN A 22 0.007 12.237 3.632 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.089 13.076 2.231 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.314 13.788 0.698 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.800 12.784 -0.210 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.476 14.634 1.105 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.084 15.589 0.634 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.875 15.545 -0.323 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.802 15.293 -2.070 1.00 0.00 H new ATOM 346 N GLU A 23 -0.127 10.681 1.096 1.00 0.00 N ATOM 347 CA GLU A 23 -0.068 9.258 0.805 1.00 0.00 C ATOM 348 C GLU A 23 0.998 8.584 1.670 1.00 0.00 C ATOM 349 O GLU A 23 1.732 9.255 2.394 1.00 0.00 O ATOM 350 CB GLU A 23 0.196 9.013 -0.682 1.00 0.00 C ATOM 351 CG GLU A 23 -1.045 8.444 -1.373 1.00 0.00 C ATOM 352 CD GLU A 23 -1.914 9.564 -1.949 1.00 0.00 C ATOM 353 OE1 GLU A 23 -2.782 10.100 -1.245 1.00 0.00 O ATOM 354 OE2 GLU A 23 -1.661 9.873 -3.175 1.00 0.00 O ATOM 0 H GLU A 23 0.699 11.209 0.814 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.035 8.817 1.045 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.488 9.947 -1.162 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.030 8.321 -0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.742 7.766 -2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.626 7.858 -0.661 1.00 0.00 H new ATOM 362 N VAL A 24 1.051 7.264 1.566 1.00 0.00 N ATOM 363 CA VAL A 24 2.015 6.491 2.330 1.00 0.00 C ATOM 364 C VAL A 24 2.667 5.451 1.417 1.00 0.00 C ATOM 365 O VAL A 24 2.053 4.994 0.454 1.00 0.00 O ATOM 366 CB VAL A 24 1.338 5.872 3.554 1.00 0.00 C ATOM 367 CG1 VAL A 24 0.638 6.942 4.394 1.00 0.00 C ATOM 368 CG2 VAL A 24 0.359 4.771 3.141 1.00 0.00 C ATOM 0 H VAL A 24 0.442 6.710 0.964 1.00 0.00 H new ATOM 0 HA VAL A 24 2.809 7.136 2.707 1.00 0.00 H new ATOM 0 HB VAL A 24 2.113 5.417 4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.165 6.475 5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.370 7.675 4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.121 7.440 3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.109 4.348 4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.409 5.192 2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.897 3.988 2.606 1.00 0.00 H new ATOM 378 N HIS A 25 3.901 5.106 1.752 1.00 0.00 N ATOM 379 CA HIS A 25 4.642 4.128 0.974 1.00 0.00 C ATOM 380 C HIS A 25 5.461 3.239 1.912 1.00 0.00 C ATOM 381 O HIS A 25 6.448 3.687 2.494 1.00 0.00 O ATOM 382 CB HIS A 25 5.501 4.817 -0.089 1.00 0.00 C ATOM 383 CG HIS A 25 4.743 5.198 -1.338 1.00 0.00 C ATOM 384 ND1 HIS A 25 3.853 6.257 -1.380 1.00 0.00 N ATOM 385 CD2 HIS A 25 4.753 4.653 -2.588 1.00 0.00 C ATOM 386 CE1 HIS A 25 3.354 6.335 -2.606 1.00 0.00 C ATOM 387 NE2 HIS A 25 3.913 5.340 -3.352 1.00 0.00 N ATOM 0 H HIS A 25 4.407 5.486 2.552 1.00 0.00 H new ATOM 0 HA HIS A 25 3.946 3.485 0.435 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.945 5.714 0.342 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.323 4.155 -0.363 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.344 3.806 -2.903 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.632 7.059 -2.953 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.718 5.154 -4.336 1.00 0.00 H new ATOM 395 N VAL A 26 5.020 1.995 2.031 1.00 0.00 N ATOM 396 CA VAL A 26 5.699 1.039 2.889 1.00 0.00 C ATOM 397 C VAL A 26 6.463 0.036 2.023 1.00 0.00 C ATOM 398 O VAL A 26 5.890 -0.943 1.548 1.00 0.00 O ATOM 399 CB VAL A 26 4.693 0.373 3.830 1.00 0.00 C ATOM 400 CG1 VAL A 26 4.086 1.393 4.795 1.00 0.00 C ATOM 401 CG2 VAL A 26 3.601 -0.352 3.040 1.00 0.00 C ATOM 0 H VAL A 26 4.201 1.627 1.547 1.00 0.00 H new ATOM 0 HA VAL A 26 6.429 1.544 3.521 1.00 0.00 H new ATOM 0 HB VAL A 26 5.228 -0.370 4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.375 0.893 5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.878 1.844 5.393 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.573 2.170 4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.899 -0.817 3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.071 0.363 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.054 -1.120 2.413 1.00 0.00 H new ATOM 411 N SER A 27 7.746 0.314 1.843 1.00 0.00 N ATOM 412 CA SER A 27 8.595 -0.552 1.042 1.00 0.00 C ATOM 413 C SER A 27 9.424 -1.460 1.953 1.00 0.00 C ATOM 414 O SER A 27 9.871 -1.036 3.017 1.00 0.00 O ATOM 415 CB SER A 27 9.512 0.265 0.130 1.00 0.00 C ATOM 416 OG SER A 27 8.826 1.358 -0.475 1.00 0.00 O ATOM 0 H SER A 27 8.218 1.127 2.238 1.00 0.00 H new ATOM 0 HA SER A 27 7.955 -1.168 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.356 0.642 0.708 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.921 -0.381 -0.647 1.00 0.00 H new ATOM 0 HG SER A 27 9.306 2.191 -0.285 1.00 0.00 H new ATOM 422 N GLY A 28 9.603 -2.693 1.501 1.00 0.00 N ATOM 423 CA GLY A 28 10.370 -3.664 2.262 1.00 0.00 C ATOM 424 C GLY A 28 9.903 -5.090 1.961 1.00 0.00 C ATOM 425 O GLY A 28 9.496 -5.389 0.839 1.00 0.00 O ATOM 0 H GLY A 28 9.230 -3.041 0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.429 -3.566 2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.265 -3.461 3.328 1.00 0.00 H new ATOM 429 N ASP A 29 9.977 -5.931 2.982 1.00 0.00 N ATOM 430 CA ASP A 29 9.567 -7.318 2.840 1.00 0.00 C ATOM 431 C ASP A 29 8.512 -7.644 3.898 1.00 0.00 C ATOM 432 O ASP A 29 7.315 -7.508 3.648 1.00 0.00 O ATOM 433 CB ASP A 29 10.751 -8.266 3.045 1.00 0.00 C ATOM 434 CG ASP A 29 11.526 -8.616 1.773 1.00 0.00 C ATOM 435 OD1 ASP A 29 10.952 -9.103 0.788 1.00 0.00 O ATOM 436 OD2 ASP A 29 12.791 -8.366 1.820 1.00 0.00 O ATOM 0 H ASP A 29 10.315 -5.679 3.911 1.00 0.00 H new ATOM 0 HA ASP A 29 9.169 -7.451 1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.439 -7.814 3.759 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.385 -9.189 3.495 1.00 0.00 H new ATOM 442 N GLY A 30 8.993 -8.067 5.058 1.00 0.00 N ATOM 443 CA GLY A 30 8.106 -8.413 6.155 1.00 0.00 C ATOM 444 C GLY A 30 8.835 -8.328 7.497 1.00 0.00 C ATOM 445 O GLY A 30 8.931 -9.319 8.219 1.00 0.00 O ATOM 0 H GLY A 30 9.986 -8.178 5.262 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.248 -7.740 6.160 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.719 -9.422 6.010 1.00 0.00 H new ATOM 449 N SER A 31 9.330 -7.135 7.791 1.00 0.00 N ATOM 450 CA SER A 31 10.047 -6.907 9.034 1.00 0.00 C ATOM 451 C SER A 31 10.767 -5.558 8.984 1.00 0.00 C ATOM 452 O SER A 31 10.469 -4.662 9.772 1.00 0.00 O ATOM 453 CB SER A 31 11.047 -8.033 9.307 1.00 0.00 C ATOM 454 OG SER A 31 10.455 -9.110 10.027 1.00 0.00 O ATOM 0 H SER A 31 9.249 -6.315 7.189 1.00 0.00 H new ATOM 0 HA SER A 31 9.323 -6.894 9.849 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.443 -8.403 8.361 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.891 -7.639 9.873 1.00 0.00 H new ATOM 0 HG SER A 31 10.954 -9.262 10.857 1.00 0.00 H new ATOM 460 N HIS A 32 11.701 -5.457 8.050 1.00 0.00 N ATOM 461 CA HIS A 32 12.466 -4.232 7.886 1.00 0.00 C ATOM 462 C HIS A 32 12.000 -3.501 6.625 1.00 0.00 C ATOM 463 O HIS A 32 12.432 -3.825 5.520 1.00 0.00 O ATOM 464 CB HIS A 32 13.967 -4.526 7.881 1.00 0.00 C ATOM 465 CG HIS A 32 14.453 -5.219 6.630 1.00 0.00 C ATOM 466 ND1 HIS A 32 14.120 -6.526 6.319 1.00 0.00 N ATOM 467 CD2 HIS A 32 15.249 -4.773 5.616 1.00 0.00 C ATOM 468 CE1 HIS A 32 14.695 -6.842 5.168 1.00 0.00 C ATOM 469 NE2 HIS A 32 15.395 -5.754 4.734 1.00 0.00 N ATOM 0 H HIS A 32 11.946 -6.203 7.399 1.00 0.00 H new ATOM 0 HA HIS A 32 12.287 -3.571 8.734 1.00 0.00 H new ATOM 0 HB2 HIS A 32 14.511 -3.589 7.999 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.208 -5.146 8.745 1.00 0.00 H new ATOM 0 HD2 HIS A 32 15.686 -3.788 5.543 1.00 0.00 H new ATOM 0 HE1 HIS A 32 14.622 -7.793 4.662 1.00 0.00 H new ATOM 0 HE2 HIS A 32 15.940 -5.703 3.874 1.00 0.00 H new ATOM 477 N PHE A 33 11.125 -2.528 6.833 1.00 0.00 N ATOM 478 CA PHE A 33 10.597 -1.748 5.728 1.00 0.00 C ATOM 479 C PHE A 33 10.562 -0.258 6.075 1.00 0.00 C ATOM 480 O PHE A 33 10.515 0.109 7.248 1.00 0.00 O ATOM 481 CB PHE A 33 9.168 -2.235 5.480 1.00 0.00 C ATOM 482 CG PHE A 33 8.316 -2.335 6.747 1.00 0.00 C ATOM 483 CD1 PHE A 33 7.747 -1.218 7.274 1.00 0.00 C ATOM 484 CD2 PHE A 33 8.127 -3.542 7.346 1.00 0.00 C ATOM 485 CE1 PHE A 33 6.956 -1.311 8.450 1.00 0.00 C ATOM 486 CE2 PHE A 33 7.337 -3.635 8.521 1.00 0.00 C ATOM 487 CZ PHE A 33 6.768 -2.517 9.049 1.00 0.00 C ATOM 0 H PHE A 33 10.769 -2.262 7.751 1.00 0.00 H new ATOM 0 HA PHE A 33 11.229 -1.874 4.849 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.681 -1.557 4.779 1.00 0.00 H new ATOM 0 HB3 PHE A 33 9.206 -3.214 5.002 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.897 -0.260 6.798 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.578 -4.429 6.927 1.00 0.00 H new ATOM 0 HE1 PHE A 33 6.504 -0.424 8.868 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.187 -4.593 8.996 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.167 -2.588 9.944 1.00 0.00 H new ATOM 497 N GLN A 34 10.586 0.560 5.033 1.00 0.00 N ATOM 498 CA GLN A 34 10.558 2.002 5.213 1.00 0.00 C ATOM 499 C GLN A 34 9.161 2.547 4.909 1.00 0.00 C ATOM 500 O GLN A 34 8.492 2.075 3.991 1.00 0.00 O ATOM 501 CB GLN A 34 11.615 2.684 4.341 1.00 0.00 C ATOM 502 CG GLN A 34 12.025 4.034 4.932 1.00 0.00 C ATOM 503 CD GLN A 34 11.540 5.188 4.052 1.00 0.00 C ATOM 504 OE1 GLN A 34 10.513 5.114 3.398 1.00 0.00 O ATOM 505 NE2 GLN A 34 12.335 6.254 4.072 1.00 0.00 N ATOM 0 H GLN A 34 10.625 0.252 4.061 1.00 0.00 H new ATOM 0 HA GLN A 34 10.795 2.224 6.254 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.490 2.040 4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.223 2.828 3.334 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.610 4.137 5.935 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.110 4.078 5.030 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.181 6.249 4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.099 7.077 3.517 1.00 0.00 H new ATOM 514 N VAL A 35 8.763 3.535 5.697 1.00 0.00 N ATOM 515 CA VAL A 35 7.458 4.150 5.523 1.00 0.00 C ATOM 516 C VAL A 35 7.639 5.608 5.096 1.00 0.00 C ATOM 517 O VAL A 35 7.893 6.476 5.929 1.00 0.00 O ATOM 518 CB VAL A 35 6.634 4.001 6.804 1.00 0.00 C ATOM 519 CG1 VAL A 35 5.300 4.740 6.688 1.00 0.00 C ATOM 520 CG2 VAL A 35 6.416 2.525 7.146 1.00 0.00 C ATOM 0 H VAL A 35 9.321 3.925 6.457 1.00 0.00 H new ATOM 0 HA VAL A 35 6.901 3.646 4.733 1.00 0.00 H new ATOM 0 HB VAL A 35 7.197 4.455 7.619 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.735 4.618 7.612 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.485 5.800 6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.728 4.330 5.856 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.828 2.446 8.060 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.884 2.037 6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.381 2.039 7.292 1.00 0.00 H new ATOM 530 N ILE A 36 7.500 5.832 3.797 1.00 0.00 N ATOM 531 CA ILE A 36 7.645 7.170 3.249 1.00 0.00 C ATOM 532 C ILE A 36 6.269 7.833 3.164 1.00 0.00 C ATOM 533 O ILE A 36 5.337 7.267 2.595 1.00 0.00 O ATOM 534 CB ILE A 36 8.389 7.124 1.913 1.00 0.00 C ATOM 535 CG1 ILE A 36 9.816 7.656 2.062 1.00 0.00 C ATOM 536 CG2 ILE A 36 7.610 7.867 0.826 1.00 0.00 C ATOM 537 CD1 ILE A 36 10.669 7.285 0.847 1.00 0.00 C ATOM 0 H ILE A 36 7.289 5.110 3.109 1.00 0.00 H new ATOM 0 HA ILE A 36 8.257 7.787 3.907 1.00 0.00 H new ATOM 0 HB ILE A 36 8.465 6.083 1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.794 8.740 2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.268 7.248 2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 36 8.161 7.819 -0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.632 7.403 0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.481 8.909 1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.678 7.675 0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.709 6.200 0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.228 7.715 -0.052 1.00 0.00 H new ATOM 549 N ALA A 37 6.185 9.025 3.738 1.00 0.00 N ATOM 550 CA ALA A 37 4.938 9.771 3.735 1.00 0.00 C ATOM 551 C ALA A 37 4.866 10.629 2.470 1.00 0.00 C ATOM 552 O ALA A 37 5.508 11.675 2.388 1.00 0.00 O ATOM 553 CB ALA A 37 4.839 10.607 5.012 1.00 0.00 C ATOM 0 H ALA A 37 6.960 9.492 4.208 1.00 0.00 H new ATOM 0 HA ALA A 37 4.085 9.092 3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.903 11.166 5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.866 9.949 5.881 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.677 11.302 5.058 1.00 0.00 H new ATOM 559 N VAL A 38 4.080 10.154 1.515 1.00 0.00 N ATOM 560 CA VAL A 38 3.916 10.865 0.258 1.00 0.00 C ATOM 561 C VAL A 38 2.999 12.070 0.475 1.00 0.00 C ATOM 562 O VAL A 38 2.134 12.048 1.350 1.00 0.00 O ATOM 563 CB VAL A 38 3.402 9.909 -0.820 1.00 0.00 C ATOM 564 CG1 VAL A 38 2.679 10.673 -1.931 1.00 0.00 C ATOM 565 CG2 VAL A 38 4.541 9.061 -1.390 1.00 0.00 C ATOM 0 H VAL A 38 3.550 9.286 1.586 1.00 0.00 H new ATOM 0 HA VAL A 38 4.875 11.245 -0.094 1.00 0.00 H new ATOM 0 HB VAL A 38 2.683 9.235 -0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.324 9.970 -2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.831 11.212 -1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.367 11.382 -2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.148 8.390 -2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.294 9.713 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.993 8.475 -0.590 1.00 0.00 H new ATOM 575 N GLY A 39 3.219 13.094 -0.337 1.00 0.00 N ATOM 576 CA GLY A 39 2.423 14.307 -0.245 1.00 0.00 C ATOM 577 C GLY A 39 3.183 15.506 -0.815 1.00 0.00 C ATOM 578 O GLY A 39 3.239 15.689 -2.031 1.00 0.00 O ATOM 0 H GLY A 39 3.937 13.109 -1.062 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.487 14.174 -0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.164 14.498 0.796 1.00 0.00 H new ATOM 582 N GLU A 40 3.750 16.292 0.089 1.00 0.00 N ATOM 583 CA GLU A 40 4.504 17.468 -0.310 1.00 0.00 C ATOM 584 C GLU A 40 4.689 18.408 0.883 1.00 0.00 C ATOM 585 O GLU A 40 5.619 19.214 0.904 1.00 0.00 O ATOM 586 CB GLU A 40 3.822 18.188 -1.475 1.00 0.00 C ATOM 587 CG GLU A 40 4.641 18.050 -2.759 1.00 0.00 C ATOM 588 CD GLU A 40 4.138 19.014 -3.836 1.00 0.00 C ATOM 589 OE1 GLU A 40 4.002 20.218 -3.576 1.00 0.00 O ATOM 590 OE2 GLU A 40 3.884 18.470 -4.979 1.00 0.00 O ATOM 0 H GLU A 40 3.702 16.137 1.096 1.00 0.00 H new ATOM 0 HA GLU A 40 5.488 17.147 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.825 17.775 -1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.696 19.243 -1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.691 18.251 -2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.580 17.025 -3.126 1.00 0.00 H new ATOM 598 N LEU A 41 3.790 18.275 1.847 1.00 0.00 N ATOM 599 CA LEU A 41 3.843 19.102 3.040 1.00 0.00 C ATOM 600 C LEU A 41 5.305 19.367 3.407 1.00 0.00 C ATOM 601 O LEU A 41 5.759 20.509 3.377 1.00 0.00 O ATOM 602 CB LEU A 41 3.030 18.467 4.169 1.00 0.00 C ATOM 603 CG LEU A 41 3.025 19.223 5.500 1.00 0.00 C ATOM 604 CD1 LEU A 41 2.902 20.731 5.273 1.00 0.00 C ATOM 605 CD2 LEU A 41 1.931 18.691 6.428 1.00 0.00 C ATOM 0 H LEU A 41 3.020 17.606 1.826 1.00 0.00 H new ATOM 0 HA LEU A 41 3.381 20.071 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.999 18.359 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.414 17.462 4.346 1.00 0.00 H new ATOM 0 HG LEU A 41 3.980 19.049 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.901 21.245 6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.745 21.079 4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.972 20.945 4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.949 19.245 7.367 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.958 18.815 5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.105 17.634 6.627 1.00 0.00 H new ATOM 617 N PHE A 42 6.000 18.291 3.746 1.00 0.00 N ATOM 618 CA PHE A 42 7.401 18.393 4.119 1.00 0.00 C ATOM 619 C PHE A 42 8.305 18.279 2.890 1.00 0.00 C ATOM 620 O PHE A 42 9.335 17.608 2.933 1.00 0.00 O ATOM 621 CB PHE A 42 7.697 17.227 5.065 1.00 0.00 C ATOM 622 CG PHE A 42 7.039 17.359 6.440 1.00 0.00 C ATOM 623 CD1 PHE A 42 5.686 17.450 6.540 1.00 0.00 C ATOM 624 CD2 PHE A 42 7.807 17.385 7.562 1.00 0.00 C ATOM 625 CE1 PHE A 42 5.075 17.572 7.816 1.00 0.00 C ATOM 626 CE2 PHE A 42 7.197 17.507 8.838 1.00 0.00 C ATOM 627 CZ PHE A 42 5.843 17.598 8.938 1.00 0.00 C ATOM 0 H PHE A 42 5.620 17.345 3.770 1.00 0.00 H new ATOM 0 HA PHE A 42 7.592 19.358 4.589 1.00 0.00 H new ATOM 0 HB2 PHE A 42 7.360 16.301 4.600 1.00 0.00 H new ATOM 0 HB3 PHE A 42 8.776 17.144 5.196 1.00 0.00 H new ATOM 0 HD1 PHE A 42 5.076 17.429 5.649 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.882 17.313 7.482 1.00 0.00 H new ATOM 0 HE1 PHE A 42 4.000 17.644 7.895 1.00 0.00 H new ATOM 0 HE2 PHE A 42 7.807 17.528 9.729 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.378 17.691 9.908 1.00 0.00 H new ATOM 637 N ASP A 43 7.887 18.946 1.824 1.00 0.00 N ATOM 638 CA ASP A 43 8.646 18.928 0.585 1.00 0.00 C ATOM 639 C ASP A 43 9.692 20.044 0.618 1.00 0.00 C ATOM 640 O ASP A 43 10.312 20.349 -0.401 1.00 0.00 O ATOM 641 CB ASP A 43 7.737 19.167 -0.622 1.00 0.00 C ATOM 642 CG ASP A 43 7.112 20.562 -0.694 1.00 0.00 C ATOM 643 OD1 ASP A 43 7.031 21.279 0.315 1.00 0.00 O ATOM 644 OD2 ASP A 43 6.691 20.911 -1.863 1.00 0.00 O ATOM 0 H ASP A 43 7.033 19.502 1.793 1.00 0.00 H new ATOM 0 HA ASP A 43 9.118 17.950 0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.313 18.996 -1.531 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.937 18.427 -0.608 1.00 0.00 H new ATOM 650 N GLY A 44 9.857 20.623 1.798 1.00 0.00 N ATOM 651 CA GLY A 44 10.818 21.699 1.976 1.00 0.00 C ATOM 652 C GLY A 44 11.439 21.653 3.374 1.00 0.00 C ATOM 653 O GLY A 44 12.081 22.610 3.803 1.00 0.00 O ATOM 0 H GLY A 44 9.342 20.368 2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.602 21.620 1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.326 22.660 1.824 1.00 0.00 H new ATOM 657 N MET A 45 11.225 20.531 4.045 1.00 0.00 N ATOM 658 CA MET A 45 11.756 20.348 5.385 1.00 0.00 C ATOM 659 C MET A 45 13.137 19.691 5.343 1.00 0.00 C ATOM 660 O MET A 45 13.534 19.137 4.319 1.00 0.00 O ATOM 661 CB MET A 45 10.799 19.474 6.199 1.00 0.00 C ATOM 662 CG MET A 45 10.899 19.795 7.691 1.00 0.00 C ATOM 663 SD MET A 45 9.268 20.056 8.370 1.00 0.00 S ATOM 664 CE MET A 45 8.951 21.713 7.787 1.00 0.00 C ATOM 0 H MET A 45 10.691 19.740 3.686 1.00 0.00 H new ATOM 0 HA MET A 45 11.855 21.327 5.853 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.776 19.632 5.857 1.00 0.00 H new ATOM 0 HB3 MET A 45 11.031 18.422 6.033 1.00 0.00 H new ATOM 0 HG2 MET A 45 11.393 18.977 8.215 1.00 0.00 H new ATOM 0 HG3 MET A 45 11.511 20.685 7.840 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.966 22.035 8.124 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.709 22.389 8.183 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.985 21.728 6.698 1.00 0.00 H new ATOM 674 N SER A 46 13.831 19.774 6.469 1.00 0.00 N ATOM 675 CA SER A 46 15.159 19.194 6.573 1.00 0.00 C ATOM 676 C SER A 46 15.063 17.752 7.077 1.00 0.00 C ATOM 677 O SER A 46 14.441 17.491 8.106 1.00 0.00 O ATOM 678 CB SER A 46 16.050 20.022 7.501 1.00 0.00 C ATOM 679 OG SER A 46 17.352 19.458 7.635 1.00 0.00 O ATOM 0 H SER A 46 13.499 20.234 7.317 1.00 0.00 H new ATOM 0 HA SER A 46 15.612 19.196 5.581 1.00 0.00 H new ATOM 0 HB2 SER A 46 16.133 21.037 7.113 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.583 20.093 8.483 1.00 0.00 H new ATOM 0 HG SER A 46 17.890 20.017 8.234 1.00 0.00 H new ATOM 685 N ARG A 47 15.686 16.854 6.328 1.00 0.00 N ATOM 686 CA ARG A 47 15.679 15.446 6.686 1.00 0.00 C ATOM 687 C ARG A 47 15.751 15.284 8.206 1.00 0.00 C ATOM 688 O ARG A 47 15.180 14.347 8.762 1.00 0.00 O ATOM 689 CB ARG A 47 16.855 14.708 6.044 1.00 0.00 C ATOM 690 CG ARG A 47 16.526 13.229 5.835 1.00 0.00 C ATOM 691 CD ARG A 47 16.928 12.400 7.056 1.00 0.00 C ATOM 692 NE ARG A 47 18.369 12.071 6.994 1.00 0.00 N ATOM 693 CZ ARG A 47 18.912 11.212 6.104 1.00 0.00 C ATOM 694 NH1 ARG A 47 18.135 10.587 5.194 1.00 0.00 N ATOM 695 NH2 ARG A 47 20.213 10.992 6.139 1.00 0.00 N ATOM 0 H ARG A 47 16.199 17.074 5.474 1.00 0.00 H new ATOM 0 HA ARG A 47 14.749 15.015 6.315 1.00 0.00 H new ATOM 0 HB2 ARG A 47 17.099 15.169 5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 47 17.737 14.802 6.677 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.458 13.113 5.648 1.00 0.00 H new ATOM 0 HG3 ARG A 47 17.046 12.858 4.952 1.00 0.00 H new ATOM 0 HD2 ARG A 47 16.713 12.955 7.969 1.00 0.00 H new ATOM 0 HD3 ARG A 47 16.339 11.484 7.093 1.00 0.00 H new ATOM 0 HE ARG A 47 18.991 12.521 7.665 1.00 0.00 H new ATOM 0 HH11 ARG A 47 17.130 10.762 5.175 1.00 0.00 H new ATOM 0 HH12 ARG A 47 18.553 9.940 4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 47 20.792 11.468 6.831 1.00 0.00 H new ATOM 0 HH22 ARG A 47 20.639 10.346 5.474 1.00 0.00 H new ATOM 708 N VAL A 48 16.458 16.212 8.835 1.00 0.00 N ATOM 709 CA VAL A 48 16.613 16.183 10.279 1.00 0.00 C ATOM 710 C VAL A 48 15.316 16.660 10.936 1.00 0.00 C ATOM 711 O VAL A 48 14.579 15.862 11.513 1.00 0.00 O ATOM 712 CB VAL A 48 17.831 17.012 10.691 1.00 0.00 C ATOM 713 CG1 VAL A 48 17.966 17.070 12.214 1.00 0.00 C ATOM 714 CG2 VAL A 48 19.108 16.466 10.048 1.00 0.00 C ATOM 0 H VAL A 48 16.930 16.988 8.371 1.00 0.00 H new ATOM 0 HA VAL A 48 16.797 15.165 10.623 1.00 0.00 H new ATOM 0 HB VAL A 48 17.682 18.029 10.329 1.00 0.00 H new ATOM 0 HG11 VAL A 48 18.840 17.665 12.479 1.00 0.00 H new ATOM 0 HG12 VAL A 48 17.073 17.526 12.641 1.00 0.00 H new ATOM 0 HG13 VAL A 48 18.082 16.060 12.608 1.00 0.00 H new ATOM 0 HG21 VAL A 48 19.959 17.073 10.357 1.00 0.00 H new ATOM 0 HG22 VAL A 48 19.263 15.435 10.366 1.00 0.00 H new ATOM 0 HG23 VAL A 48 19.012 16.501 8.963 1.00 0.00 H new ATOM 724 N LYS A 49 15.077 17.959 10.826 1.00 0.00 N ATOM 725 CA LYS A 49 13.882 18.551 11.402 1.00 0.00 C ATOM 726 C LYS A 49 12.671 17.678 11.064 1.00 0.00 C ATOM 727 O LYS A 49 11.761 17.530 11.878 1.00 0.00 O ATOM 728 CB LYS A 49 13.735 20.006 10.954 1.00 0.00 C ATOM 729 CG LYS A 49 13.476 20.925 12.149 1.00 0.00 C ATOM 730 CD LYS A 49 11.987 21.255 12.274 1.00 0.00 C ATOM 731 CE LYS A 49 11.669 21.839 13.652 1.00 0.00 C ATOM 732 NZ LYS A 49 11.349 20.758 14.612 1.00 0.00 N ATOM 0 H LYS A 49 15.691 18.618 10.347 1.00 0.00 H new ATOM 0 HA LYS A 49 13.959 18.583 12.489 1.00 0.00 H new ATOM 0 HB2 LYS A 49 14.640 20.324 10.436 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.914 20.090 10.242 1.00 0.00 H new ATOM 0 HG2 LYS A 49 13.824 20.445 13.064 1.00 0.00 H new ATOM 0 HG3 LYS A 49 14.048 21.846 12.035 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.702 21.967 11.499 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.396 20.354 12.112 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.520 22.415 14.015 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.827 22.527 13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.202 21.166 15.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.483 20.268 14.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.137 20.080 14.646 1.00 0.00 H new ATOM 745 N LYS A 50 12.700 17.123 9.861 1.00 0.00 N ATOM 746 CA LYS A 50 11.617 16.269 9.405 1.00 0.00 C ATOM 747 C LYS A 50 11.532 15.035 10.305 1.00 0.00 C ATOM 748 O LYS A 50 10.533 14.831 10.993 1.00 0.00 O ATOM 749 CB LYS A 50 11.784 15.938 7.921 1.00 0.00 C ATOM 750 CG LYS A 50 10.664 15.015 7.435 1.00 0.00 C ATOM 751 CD LYS A 50 11.163 14.083 6.329 1.00 0.00 C ATOM 752 CE LYS A 50 11.971 12.922 6.914 1.00 0.00 C ATOM 753 NZ LYS A 50 11.298 12.374 8.113 1.00 0.00 N ATOM 0 H LYS A 50 13.457 17.248 9.188 1.00 0.00 H new ATOM 0 HA LYS A 50 10.662 16.789 9.486 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.781 16.858 7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.750 15.460 7.758 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.286 14.425 8.270 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.831 15.612 7.064 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.315 13.693 5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.781 14.643 5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.087 12.139 6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.972 13.264 7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.634 11.405 8.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.516 12.970 8.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.270 12.361 7.958 1.00 0.00 H new ATOM 766 N GLN A 51 12.594 14.244 10.272 1.00 0.00 N ATOM 767 CA GLN A 51 12.653 13.035 11.076 1.00 0.00 C ATOM 768 C GLN A 51 12.519 13.379 12.561 1.00 0.00 C ATOM 769 O GLN A 51 12.205 12.513 13.376 1.00 0.00 O ATOM 770 CB GLN A 51 13.944 12.260 10.807 1.00 0.00 C ATOM 771 CG GLN A 51 13.699 11.109 9.829 1.00 0.00 C ATOM 772 CD GLN A 51 14.599 9.915 10.150 1.00 0.00 C ATOM 773 OE1 GLN A 51 15.775 10.053 10.445 1.00 0.00 O ATOM 774 NE2 GLN A 51 13.984 8.738 10.075 1.00 0.00 N ATOM 0 H GLN A 51 13.421 14.417 9.701 1.00 0.00 H new ATOM 0 HA GLN A 51 11.818 12.393 10.795 1.00 0.00 H new ATOM 0 HB2 GLN A 51 14.698 12.933 10.400 1.00 0.00 H new ATOM 0 HB3 GLN A 51 14.339 11.868 11.744 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.654 10.804 9.876 1.00 0.00 H new ATOM 0 HG3 GLN A 51 13.887 11.447 8.810 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.997 8.694 9.822 1.00 0.00 H new ATOM 0 HE22 GLN A 51 14.500 7.880 10.270 1.00 0.00 H new ATOM 783 N GLN A 52 12.763 14.645 12.867 1.00 0.00 N ATOM 784 CA GLN A 52 12.674 15.113 14.239 1.00 0.00 C ATOM 785 C GLN A 52 11.209 15.227 14.667 1.00 0.00 C ATOM 786 O GLN A 52 10.833 14.752 15.738 1.00 0.00 O ATOM 787 CB GLN A 52 13.400 16.449 14.411 1.00 0.00 C ATOM 788 CG GLN A 52 13.201 17.004 15.823 1.00 0.00 C ATOM 789 CD GLN A 52 14.217 18.107 16.127 1.00 0.00 C ATOM 790 OE1 GLN A 52 15.419 17.926 16.020 1.00 0.00 O ATOM 791 NE2 GLN A 52 13.669 19.256 16.511 1.00 0.00 N ATOM 0 H GLN A 52 13.022 15.361 12.188 1.00 0.00 H new ATOM 0 HA GLN A 52 13.165 14.384 14.883 1.00 0.00 H new ATOM 0 HB2 GLN A 52 14.464 16.316 14.215 1.00 0.00 H new ATOM 0 HB3 GLN A 52 13.028 17.166 13.679 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.190 17.398 15.923 1.00 0.00 H new ATOM 0 HG3 GLN A 52 13.303 16.200 16.551 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.655 19.340 16.580 1.00 0.00 H new ATOM 0 HE22 GLN A 52 14.263 20.054 16.737 1.00 0.00 H new ATOM 800 N THR A 53 10.422 15.858 13.808 1.00 0.00 N ATOM 801 CA THR A 53 9.007 16.039 14.084 1.00 0.00 C ATOM 802 C THR A 53 8.218 14.797 13.665 1.00 0.00 C ATOM 803 O THR A 53 7.091 14.592 14.113 1.00 0.00 O ATOM 804 CB THR A 53 8.548 17.317 13.379 1.00 0.00 C ATOM 805 OG1 THR A 53 7.611 17.895 14.284 1.00 0.00 O ATOM 806 CG2 THR A 53 7.724 17.029 12.123 1.00 0.00 C ATOM 0 H THR A 53 10.737 16.250 12.921 1.00 0.00 H new ATOM 0 HA THR A 53 8.824 16.156 15.152 1.00 0.00 H new ATOM 0 HB THR A 53 9.418 17.917 13.112 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.264 18.730 13.906 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.424 17.970 11.661 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.324 16.454 11.418 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.836 16.458 12.394 1.00 0.00 H new ATOM 814 N VAL A 54 8.842 14.001 12.809 1.00 0.00 N ATOM 815 CA VAL A 54 8.212 12.784 12.323 1.00 0.00 C ATOM 816 C VAL A 54 8.493 11.644 13.304 1.00 0.00 C ATOM 817 O VAL A 54 7.584 10.905 13.679 1.00 0.00 O ATOM 818 CB VAL A 54 8.688 12.481 10.901 1.00 0.00 C ATOM 819 CG1 VAL A 54 8.540 10.992 10.580 1.00 0.00 C ATOM 820 CG2 VAL A 54 7.941 13.339 9.878 1.00 0.00 C ATOM 0 H VAL A 54 9.777 14.174 12.439 1.00 0.00 H new ATOM 0 HA VAL A 54 7.130 12.908 12.269 1.00 0.00 H new ATOM 0 HB VAL A 54 9.747 12.734 10.841 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.885 10.803 9.564 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.137 10.408 11.280 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.493 10.703 10.667 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.298 13.104 8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.873 13.132 9.940 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.119 14.394 10.088 1.00 0.00 H new ATOM 830 N TYR A 55 9.755 11.536 13.691 1.00 0.00 N ATOM 831 CA TYR A 55 10.167 10.498 14.621 1.00 0.00 C ATOM 832 C TYR A 55 9.982 10.955 16.070 1.00 0.00 C ATOM 833 O TYR A 55 9.894 10.131 16.978 1.00 0.00 O ATOM 834 CB TYR A 55 11.656 10.264 14.359 1.00 0.00 C ATOM 835 CG TYR A 55 12.148 8.873 14.766 1.00 0.00 C ATOM 836 CD1 TYR A 55 11.964 7.800 13.918 1.00 0.00 C ATOM 837 CD2 TYR A 55 12.775 8.692 15.982 1.00 0.00 C ATOM 838 CE1 TYR A 55 12.427 6.492 14.302 1.00 0.00 C ATOM 839 CE2 TYR A 55 13.238 7.384 16.366 1.00 0.00 C ATOM 840 CZ TYR A 55 13.041 6.348 15.507 1.00 0.00 C ATOM 841 OH TYR A 55 13.478 5.112 15.869 1.00 0.00 O ATOM 0 H TYR A 55 10.506 12.150 13.378 1.00 0.00 H new ATOM 0 HA TYR A 55 9.571 9.597 14.479 1.00 0.00 H new ATOM 0 HB2 TYR A 55 11.856 10.413 13.298 1.00 0.00 H new ATOM 0 HB3 TYR A 55 12.232 11.015 14.900 1.00 0.00 H new ATOM 0 HD1 TYR A 55 11.473 7.941 12.967 1.00 0.00 H new ATOM 0 HD2 TYR A 55 12.918 9.532 16.646 1.00 0.00 H new ATOM 0 HE1 TYR A 55 12.290 5.644 13.648 1.00 0.00 H new ATOM 0 HE2 TYR A 55 13.731 7.229 17.315 1.00 0.00 H new ATOM 0 HH TYR A 55 13.897 5.159 16.753 1.00 0.00 H new ATOM 851 N GLY A 56 9.930 12.268 16.240 1.00 0.00 N ATOM 852 CA GLY A 56 9.758 12.845 17.563 1.00 0.00 C ATOM 853 C GLY A 56 8.514 12.278 18.250 1.00 0.00 C ATOM 854 O GLY A 56 8.582 11.830 19.394 1.00 0.00 O ATOM 0 H GLY A 56 10.004 12.949 15.484 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.639 12.640 18.171 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.672 13.929 17.483 1.00 0.00 H new ATOM 858 N PRO A 57 7.377 12.316 17.505 1.00 0.00 N ATOM 859 CA PRO A 57 6.120 11.812 18.030 1.00 0.00 C ATOM 860 C PRO A 57 6.104 10.282 18.038 1.00 0.00 C ATOM 861 O PRO A 57 5.828 9.666 19.067 1.00 0.00 O ATOM 862 CB PRO A 57 5.050 12.412 17.133 1.00 0.00 C ATOM 863 CG PRO A 57 5.765 12.851 15.866 1.00 0.00 C ATOM 864 CD PRO A 57 7.259 12.839 16.147 1.00 0.00 C ATOM 0 HA PRO A 57 5.954 12.095 19.069 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.273 11.681 16.909 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.562 13.257 17.619 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.526 12.180 15.041 1.00 0.00 H new ATOM 0 HG3 PRO A 57 5.440 13.848 15.570 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.791 12.210 15.433 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.684 13.840 16.070 1.00 0.00 H new ATOM 872 N LEU A 58 6.403 9.713 16.880 1.00 0.00 N ATOM 873 CA LEU A 58 6.426 8.266 16.741 1.00 0.00 C ATOM 874 C LEU A 58 7.808 7.742 17.137 1.00 0.00 C ATOM 875 O LEU A 58 8.323 6.812 16.519 1.00 0.00 O ATOM 876 CB LEU A 58 5.993 7.856 15.332 1.00 0.00 C ATOM 877 CG LEU A 58 6.982 8.172 14.208 1.00 0.00 C ATOM 878 CD1 LEU A 58 7.798 6.933 13.833 1.00 0.00 C ATOM 879 CD2 LEU A 58 6.264 8.774 12.999 1.00 0.00 C ATOM 0 H LEU A 58 6.631 10.227 16.029 1.00 0.00 H new ATOM 0 HA LEU A 58 5.705 7.807 17.417 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.802 6.783 15.330 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.047 8.349 15.106 1.00 0.00 H new ATOM 0 HG LEU A 58 7.684 8.923 14.571 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.493 7.184 13.032 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.356 6.588 14.703 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.126 6.143 13.496 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.990 8.989 12.215 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.525 8.066 12.625 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.765 9.697 13.295 1.00 0.00 H new ATOM 891 N MET A 59 8.369 8.363 18.164 1.00 0.00 N ATOM 892 CA MET A 59 9.681 7.970 18.650 1.00 0.00 C ATOM 893 C MET A 59 9.576 6.796 19.625 1.00 0.00 C ATOM 894 O MET A 59 10.407 5.889 19.601 1.00 0.00 O ATOM 895 CB MET A 59 10.342 9.159 19.351 1.00 0.00 C ATOM 896 CG MET A 59 11.796 9.320 18.902 1.00 0.00 C ATOM 897 SD MET A 59 12.877 9.324 20.322 1.00 0.00 S ATOM 898 CE MET A 59 12.720 11.030 20.826 1.00 0.00 C ATOM 0 H MET A 59 7.939 9.135 18.673 1.00 0.00 H new ATOM 0 HA MET A 59 10.285 7.657 17.798 1.00 0.00 H new ATOM 0 HB2 MET A 59 9.786 10.071 19.131 1.00 0.00 H new ATOM 0 HB3 MET A 59 10.305 9.016 20.431 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.069 8.507 18.229 1.00 0.00 H new ATOM 0 HG3 MET A 59 11.912 10.249 18.344 1.00 0.00 H new ATOM 0 HE1 MET A 59 13.336 11.207 21.708 1.00 0.00 H new ATOM 0 HE2 MET A 59 13.050 11.681 20.016 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.678 11.245 21.062 1.00 0.00 H new ATOM 908 N GLU A 60 8.549 6.851 20.459 1.00 0.00 N ATOM 909 CA GLU A 60 8.325 5.803 21.441 1.00 0.00 C ATOM 910 C GLU A 60 7.937 4.497 20.744 1.00 0.00 C ATOM 911 O GLU A 60 8.712 3.542 20.733 1.00 0.00 O ATOM 912 CB GLU A 60 7.259 6.221 22.455 1.00 0.00 C ATOM 913 CG GLU A 60 7.347 5.371 23.725 1.00 0.00 C ATOM 914 CD GLU A 60 6.594 6.032 24.881 1.00 0.00 C ATOM 915 OE1 GLU A 60 5.359 5.941 24.949 1.00 0.00 O ATOM 916 OE2 GLU A 60 7.338 6.658 25.729 1.00 0.00 O ATOM 0 H GLU A 60 7.862 7.605 20.476 1.00 0.00 H new ATOM 0 HA GLU A 60 9.254 5.639 21.987 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.386 7.274 22.708 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.269 6.117 22.011 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.931 4.382 23.534 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.392 5.230 24.001 1.00 0.00 H new ATOM 924 N TYR A 61 6.738 4.498 20.180 1.00 0.00 N ATOM 925 CA TYR A 61 6.238 3.326 19.482 1.00 0.00 C ATOM 926 C TYR A 61 7.356 2.637 18.697 1.00 0.00 C ATOM 927 O TYR A 61 7.555 1.429 18.823 1.00 0.00 O ATOM 928 CB TYR A 61 5.182 3.837 18.501 1.00 0.00 C ATOM 929 CG TYR A 61 4.660 2.770 17.537 1.00 0.00 C ATOM 930 CD1 TYR A 61 4.139 1.591 18.029 1.00 0.00 C ATOM 931 CD2 TYR A 61 4.710 2.987 16.175 1.00 0.00 C ATOM 932 CE1 TYR A 61 3.647 0.586 17.122 1.00 0.00 C ATOM 933 CE2 TYR A 61 4.218 1.982 15.268 1.00 0.00 C ATOM 934 CZ TYR A 61 3.711 0.832 15.786 1.00 0.00 C ATOM 935 OH TYR A 61 3.246 -0.117 14.929 1.00 0.00 O ATOM 0 H TYR A 61 6.098 5.292 20.192 1.00 0.00 H new ATOM 0 HA TYR A 61 5.835 2.601 20.189 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.343 4.244 19.066 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.605 4.658 17.923 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.100 1.422 19.095 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.118 3.910 15.789 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.237 -0.341 17.494 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.251 2.139 14.200 1.00 0.00 H new ATOM 0 HH TYR A 61 2.914 -0.885 15.440 1.00 0.00 H new ATOM 945 N ILE A 62 8.057 3.434 17.904 1.00 0.00 N ATOM 946 CA ILE A 62 9.150 2.916 17.098 1.00 0.00 C ATOM 947 C ILE A 62 10.213 2.312 18.017 1.00 0.00 C ATOM 948 O ILE A 62 10.732 1.230 17.746 1.00 0.00 O ATOM 949 CB ILE A 62 9.688 4.001 16.164 1.00 0.00 C ATOM 950 CG1 ILE A 62 8.949 3.988 14.825 1.00 0.00 C ATOM 951 CG2 ILE A 62 11.202 3.869 15.985 1.00 0.00 C ATOM 952 CD1 ILE A 62 7.456 3.721 15.025 1.00 0.00 C ATOM 0 H ILE A 62 7.889 4.435 17.802 1.00 0.00 H new ATOM 0 HA ILE A 62 8.798 2.115 16.448 1.00 0.00 H new ATOM 0 HB ILE A 62 9.502 4.971 16.625 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.087 4.944 14.320 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.376 3.222 14.178 1.00 0.00 H new ATOM 0 HG21 ILE A 62 11.559 4.652 15.316 1.00 0.00 H new ATOM 0 HG22 ILE A 62 11.693 3.967 16.953 1.00 0.00 H new ATOM 0 HG23 ILE A 62 11.434 2.894 15.558 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.954 3.717 14.057 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.321 2.753 15.508 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.028 4.502 15.653 1.00 0.00 H new ATOM 964 N ALA A 63 10.507 3.038 19.086 1.00 0.00 N ATOM 965 CA ALA A 63 11.500 2.588 20.047 1.00 0.00 C ATOM 966 C ALA A 63 11.201 1.140 20.442 1.00 0.00 C ATOM 967 O ALA A 63 12.110 0.315 20.524 1.00 0.00 O ATOM 968 CB ALA A 63 11.509 3.531 21.252 1.00 0.00 C ATOM 0 H ALA A 63 10.075 3.935 19.308 1.00 0.00 H new ATOM 0 HA ALA A 63 12.497 2.611 19.608 1.00 0.00 H new ATOM 0 HB1 ALA A 63 12.254 3.193 21.973 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.755 4.540 20.922 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.525 3.532 21.721 1.00 0.00 H new ATOM 974 N ASP A 64 9.924 0.876 20.676 1.00 0.00 N ATOM 975 CA ASP A 64 9.495 -0.458 21.061 1.00 0.00 C ATOM 976 C ASP A 64 9.435 -1.348 19.818 1.00 0.00 C ATOM 977 O ASP A 64 9.522 -2.571 19.921 1.00 0.00 O ATOM 978 CB ASP A 64 8.099 -0.427 21.688 1.00 0.00 C ATOM 979 CG ASP A 64 8.077 -0.471 23.217 1.00 0.00 C ATOM 980 OD1 ASP A 64 9.109 -0.696 23.865 1.00 0.00 O ATOM 981 OD2 ASP A 64 6.922 -0.257 23.751 1.00 0.00 O ATOM 0 H ASP A 64 9.173 1.563 20.607 1.00 0.00 H new ATOM 0 HA ASP A 64 10.209 -0.846 21.788 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.589 0.478 21.358 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.527 -1.273 21.307 1.00 0.00 H new ATOM 987 N ASN A 65 9.287 -0.700 18.672 1.00 0.00 N ATOM 988 CA ASN A 65 9.215 -1.418 17.410 1.00 0.00 C ATOM 989 C ASN A 65 10.619 -1.872 17.006 1.00 0.00 C ATOM 990 O ASN A 65 10.771 -2.742 16.150 1.00 0.00 O ATOM 991 CB ASN A 65 8.669 -0.521 16.297 1.00 0.00 C ATOM 992 CG ASN A 65 8.067 -1.357 15.166 1.00 0.00 C ATOM 993 OD1 ASN A 65 6.878 -1.317 14.896 1.00 0.00 O ATOM 994 ND2 ASN A 65 8.951 -2.114 14.523 1.00 0.00 N ATOM 0 H ASN A 65 9.215 0.314 18.591 1.00 0.00 H new ATOM 0 HA ASN A 65 8.550 -2.271 17.544 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.910 0.148 16.703 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.470 0.106 15.904 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.648 -2.709 13.752 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.932 -2.100 14.801 1.00 0.00 H new ATOM 1001 N ARG A 66 11.609 -1.262 17.641 1.00 0.00 N ATOM 1002 CA ARG A 66 12.996 -1.593 17.358 1.00 0.00 C ATOM 1003 C ARG A 66 13.119 -3.064 16.957 1.00 0.00 C ATOM 1004 O ARG A 66 13.914 -3.409 16.084 1.00 0.00 O ATOM 1005 CB ARG A 66 13.885 -1.326 18.574 1.00 0.00 C ATOM 1006 CG ARG A 66 15.362 -1.516 18.225 1.00 0.00 C ATOM 1007 CD ARG A 66 16.110 -2.209 19.366 1.00 0.00 C ATOM 1008 NE ARG A 66 17.526 -2.419 18.989 1.00 0.00 N ATOM 1009 CZ ARG A 66 18.503 -2.737 19.864 1.00 0.00 C ATOM 1010 NH1 ARG A 66 18.225 -2.885 21.177 1.00 0.00 N ATOM 1011 NH2 ARG A 66 19.734 -2.901 19.417 1.00 0.00 N ATOM 0 H ARG A 66 11.479 -0.541 18.350 1.00 0.00 H new ATOM 0 HA ARG A 66 13.327 -0.960 16.535 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.720 -0.310 18.933 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.610 -2.000 19.385 1.00 0.00 H new ATOM 0 HG2 ARG A 66 15.451 -2.108 17.314 1.00 0.00 H new ATOM 0 HG3 ARG A 66 15.819 -0.548 18.021 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.052 -1.604 20.271 1.00 0.00 H new ATOM 0 HD3 ARG A 66 15.639 -3.166 19.592 1.00 0.00 H new ATOM 0 HE ARG A 66 17.779 -2.317 18.006 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.271 -2.756 21.514 1.00 0.00 H new ATOM 0 HH12 ARG A 66 18.969 -3.125 21.832 1.00 0.00 H new ATOM 0 HH21 ARG A 66 19.935 -2.787 18.424 1.00 0.00 H new ATOM 0 HH22 ARG A 66 20.484 -3.141 20.065 1.00 0.00 H new ATOM 1024 N ILE A 67 12.320 -3.892 17.614 1.00 0.00 N ATOM 1025 CA ILE A 67 12.330 -5.319 17.337 1.00 0.00 C ATOM 1026 C ILE A 67 12.521 -5.541 15.836 1.00 0.00 C ATOM 1027 O ILE A 67 13.125 -6.530 15.423 1.00 0.00 O ATOM 1028 CB ILE A 67 11.072 -5.983 17.902 1.00 0.00 C ATOM 1029 CG1 ILE A 67 10.764 -5.467 19.309 1.00 0.00 C ATOM 1030 CG2 ILE A 67 11.193 -7.507 17.865 1.00 0.00 C ATOM 1031 CD1 ILE A 67 12.047 -5.311 20.129 1.00 0.00 C ATOM 0 H ILE A 67 11.662 -3.602 18.337 1.00 0.00 H new ATOM 0 HA ILE A 67 13.169 -5.799 17.840 1.00 0.00 H new ATOM 0 HB ILE A 67 10.228 -5.711 17.268 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.251 -4.508 19.244 1.00 0.00 H new ATOM 0 HG13 ILE A 67 10.087 -6.157 19.813 1.00 0.00 H new ATOM 0 HG21 ILE A 67 10.286 -7.954 18.272 1.00 0.00 H new ATOM 0 HG22 ILE A 67 11.329 -7.836 16.835 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.050 -7.819 18.462 1.00 0.00 H new ATOM 0 HD11 ILE A 67 11.800 -4.943 21.125 1.00 0.00 H new ATOM 0 HD12 ILE A 67 12.545 -6.277 20.212 1.00 0.00 H new ATOM 0 HD13 ILE A 67 12.711 -4.602 19.635 1.00 0.00 H new ATOM 1043 N HIS A 68 11.995 -4.605 15.059 1.00 0.00 N ATOM 1044 CA HIS A 68 12.101 -4.686 13.612 1.00 0.00 C ATOM 1045 C HIS A 68 12.746 -3.409 13.072 1.00 0.00 C ATOM 1046 O HIS A 68 13.311 -2.625 13.833 1.00 0.00 O ATOM 1047 CB HIS A 68 10.736 -4.973 12.984 1.00 0.00 C ATOM 1048 CG HIS A 68 10.480 -6.436 12.711 1.00 0.00 C ATOM 1049 ND1 HIS A 68 9.256 -6.915 12.278 1.00 0.00 N ATOM 1050 CD2 HIS A 68 11.303 -7.519 12.814 1.00 0.00 C ATOM 1051 CE1 HIS A 68 9.349 -8.229 12.131 1.00 0.00 C ATOM 1052 NE2 HIS A 68 10.618 -8.601 12.464 1.00 0.00 N ATOM 0 H HIS A 68 11.494 -3.786 15.405 1.00 0.00 H new ATOM 0 HA HIS A 68 12.746 -5.520 13.337 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.957 -4.596 13.646 1.00 0.00 H new ATOM 0 HB3 HIS A 68 10.655 -4.420 12.048 1.00 0.00 H new ATOM 0 HD1 HIS A 68 8.424 -6.352 12.102 1.00 0.00 H new ATOM 0 HD2 HIS A 68 12.336 -7.500 13.127 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.559 -8.889 11.805 1.00 0.00 H new ATOM 1060 N ALA A 69 12.640 -3.239 11.763 1.00 0.00 N ATOM 1061 CA ALA A 69 13.206 -2.069 11.111 1.00 0.00 C ATOM 1062 C ALA A 69 12.094 -1.304 10.392 1.00 0.00 C ATOM 1063 O ALA A 69 11.880 -1.492 9.195 1.00 0.00 O ATOM 1064 CB ALA A 69 14.323 -2.505 10.161 1.00 0.00 C ATOM 0 H ALA A 69 12.171 -3.892 11.135 1.00 0.00 H new ATOM 0 HA ALA A 69 13.647 -1.395 11.846 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.748 -1.628 9.672 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.101 -3.018 10.726 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.917 -3.180 9.407 1.00 0.00 H new ATOM 1070 N VAL A 70 11.416 -0.456 11.151 1.00 0.00 N ATOM 1071 CA VAL A 70 10.331 0.339 10.600 1.00 0.00 C ATOM 1072 C VAL A 70 10.790 1.792 10.460 1.00 0.00 C ATOM 1073 O VAL A 70 10.676 2.577 11.400 1.00 0.00 O ATOM 1074 CB VAL A 70 9.080 0.189 11.468 1.00 0.00 C ATOM 1075 CG1 VAL A 70 8.371 -1.137 11.182 1.00 0.00 C ATOM 1076 CG2 VAL A 70 9.423 0.319 12.953 1.00 0.00 C ATOM 0 H VAL A 70 11.597 -0.302 12.143 1.00 0.00 H new ATOM 0 HA VAL A 70 10.065 -0.016 9.604 1.00 0.00 H new ATOM 0 HB VAL A 70 8.395 0.997 11.212 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.485 -1.219 11.812 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.075 -1.173 10.133 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.047 -1.965 11.397 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.516 0.208 13.547 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.136 -0.457 13.231 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.862 1.299 13.141 1.00 0.00 H new ATOM 1086 N SER A 71 11.300 2.106 9.278 1.00 0.00 N ATOM 1087 CA SER A 71 11.777 3.451 9.002 1.00 0.00 C ATOM 1088 C SER A 71 10.603 4.353 8.615 1.00 0.00 C ATOM 1089 O SER A 71 9.536 3.865 8.247 1.00 0.00 O ATOM 1090 CB SER A 71 12.830 3.445 7.893 1.00 0.00 C ATOM 1091 OG SER A 71 14.115 3.067 8.378 1.00 0.00 O ATOM 0 H SER A 71 11.393 1.452 8.501 1.00 0.00 H new ATOM 0 HA SER A 71 12.244 3.841 9.906 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.523 2.757 7.106 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.889 4.437 7.444 1.00 0.00 H new ATOM 0 HG SER A 71 14.759 3.074 7.639 1.00 0.00 H new ATOM 1097 N ILE A 72 10.841 5.653 8.712 1.00 0.00 N ATOM 1098 CA ILE A 72 9.817 6.628 8.377 1.00 0.00 C ATOM 1099 C ILE A 72 10.485 7.921 7.905 1.00 0.00 C ATOM 1100 O ILE A 72 11.389 8.433 8.563 1.00 0.00 O ATOM 1101 CB ILE A 72 8.859 6.825 9.554 1.00 0.00 C ATOM 1102 CG1 ILE A 72 7.402 6.690 9.104 1.00 0.00 C ATOM 1103 CG2 ILE A 72 9.120 8.158 10.257 1.00 0.00 C ATOM 1104 CD1 ILE A 72 6.665 5.642 9.939 1.00 0.00 C ATOM 0 H ILE A 72 11.728 6.054 9.018 1.00 0.00 H new ATOM 0 HA ILE A 72 9.202 6.267 7.553 1.00 0.00 H new ATOM 0 HB ILE A 72 9.046 6.035 10.282 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.899 7.653 9.196 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.367 6.411 8.051 1.00 0.00 H new ATOM 0 HG21 ILE A 72 8.426 8.273 11.089 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.143 8.177 10.633 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.978 8.976 9.551 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.632 5.566 9.599 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.156 4.676 9.826 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.680 5.936 10.988 1.00 0.00 H new ATOM 1116 N LYS A 73 10.013 8.412 6.769 1.00 0.00 N ATOM 1117 CA LYS A 73 10.553 9.636 6.201 1.00 0.00 C ATOM 1118 C LYS A 73 9.495 10.290 5.310 1.00 0.00 C ATOM 1119 O LYS A 73 9.005 9.672 4.366 1.00 0.00 O ATOM 1120 CB LYS A 73 11.874 9.355 5.482 1.00 0.00 C ATOM 1121 CG LYS A 73 13.066 9.609 6.407 1.00 0.00 C ATOM 1122 CD LYS A 73 13.772 8.300 6.764 1.00 0.00 C ATOM 1123 CE LYS A 73 15.178 8.253 6.161 1.00 0.00 C ATOM 1124 NZ LYS A 73 16.163 7.816 7.176 1.00 0.00 N ATOM 0 H LYS A 73 9.263 7.985 6.226 1.00 0.00 H new ATOM 0 HA LYS A 73 10.791 10.350 6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.891 8.322 5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.953 9.988 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.770 10.285 5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.726 10.103 7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.834 8.200 7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.187 7.456 6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.194 7.569 5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.450 9.238 5.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.112 7.790 6.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.160 8.484 7.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.911 6.867 7.519 1.00 0.00 H new ATOM 1137 N ALA A 74 9.174 11.532 5.642 1.00 0.00 N ATOM 1138 CA ALA A 74 8.184 12.277 4.883 1.00 0.00 C ATOM 1139 C ALA A 74 8.825 12.811 3.601 1.00 0.00 C ATOM 1140 O ALA A 74 9.733 13.640 3.655 1.00 0.00 O ATOM 1141 CB ALA A 74 7.607 13.394 5.756 1.00 0.00 C ATOM 0 H ALA A 74 9.582 12.041 6.426 1.00 0.00 H new ATOM 0 HA ALA A 74 7.357 11.630 4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.864 13.953 5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.137 12.960 6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.408 14.065 6.065 1.00 0.00 H new ATOM 1147 N TYR A 75 8.328 12.315 2.478 1.00 0.00 N ATOM 1148 CA TYR A 75 8.841 12.732 1.184 1.00 0.00 C ATOM 1149 C TYR A 75 7.725 12.773 0.138 1.00 0.00 C ATOM 1150 O TYR A 75 6.565 12.509 0.453 1.00 0.00 O ATOM 1151 CB TYR A 75 9.867 11.673 0.776 1.00 0.00 C ATOM 1152 CG TYR A 75 11.228 11.829 1.457 1.00 0.00 C ATOM 1153 CD1 TYR A 75 11.773 13.085 1.630 1.00 0.00 C ATOM 1154 CD2 TYR A 75 11.910 10.714 1.899 1.00 0.00 C ATOM 1155 CE1 TYR A 75 13.053 13.232 2.271 1.00 0.00 C ATOM 1156 CE2 TYR A 75 13.191 10.861 2.541 1.00 0.00 C ATOM 1157 CZ TYR A 75 13.699 12.113 2.695 1.00 0.00 C ATOM 1158 OH TYR A 75 14.909 12.252 3.301 1.00 0.00 O ATOM 0 H TYR A 75 7.575 11.628 2.437 1.00 0.00 H new ATOM 0 HA TYR A 75 9.273 13.731 1.247 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.467 10.686 1.009 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.006 11.714 -0.304 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.239 13.958 1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 75 11.483 9.731 1.764 1.00 0.00 H new ATOM 0 HE1 TYR A 75 13.491 14.209 2.412 1.00 0.00 H new ATOM 0 HE2 TYR A 75 13.735 9.997 2.892 1.00 0.00 H new ATOM 0 HH TYR A 75 15.253 11.369 3.552 1.00 0.00 H new ATOM 1168 N THR A 76 8.113 13.106 -1.084 1.00 0.00 N ATOM 1169 CA THR A 76 7.160 13.185 -2.177 1.00 0.00 C ATOM 1170 C THR A 76 6.971 11.810 -2.821 1.00 0.00 C ATOM 1171 O THR A 76 7.566 10.828 -2.380 1.00 0.00 O ATOM 1172 CB THR A 76 7.651 14.253 -3.157 1.00 0.00 C ATOM 1173 OG1 THR A 76 8.462 13.530 -4.079 1.00 0.00 O ATOM 1174 CG2 THR A 76 8.619 15.243 -2.506 1.00 0.00 C ATOM 0 H THR A 76 9.076 13.324 -1.341 1.00 0.00 H new ATOM 0 HA THR A 76 6.173 13.480 -1.820 1.00 0.00 H new ATOM 0 HB THR A 76 6.797 14.794 -3.563 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.821 14.146 -4.752 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.937 15.979 -3.244 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.120 15.749 -1.680 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.490 14.706 -2.130 1.00 0.00 H new ATOM 1182 N PRO A 77 6.120 11.784 -3.881 1.00 0.00 N ATOM 1183 CA PRO A 77 5.846 10.545 -4.590 1.00 0.00 C ATOM 1184 C PRO A 77 7.024 10.152 -5.482 1.00 0.00 C ATOM 1185 O PRO A 77 7.353 8.972 -5.598 1.00 0.00 O ATOM 1186 CB PRO A 77 4.571 10.814 -5.373 1.00 0.00 C ATOM 1187 CG PRO A 77 4.436 12.327 -5.442 1.00 0.00 C ATOM 1188 CD PRO A 77 5.399 12.928 -4.431 1.00 0.00 C ATOM 0 HA PRO A 77 5.714 9.696 -3.919 1.00 0.00 H new ATOM 0 HB2 PRO A 77 4.627 10.381 -6.372 1.00 0.00 H new ATOM 0 HB3 PRO A 77 3.708 10.367 -4.880 1.00 0.00 H new ATOM 0 HG2 PRO A 77 4.664 12.685 -6.446 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.412 12.629 -5.221 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.080 13.635 -4.905 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.866 13.472 -3.651 1.00 0.00 H new ATOM 1196 N ALA A 78 7.628 11.162 -6.091 1.00 0.00 N ATOM 1197 CA ALA A 78 8.763 10.937 -6.969 1.00 0.00 C ATOM 1198 C ALA A 78 10.030 10.773 -6.127 1.00 0.00 C ATOM 1199 O ALA A 78 10.976 10.108 -6.545 1.00 0.00 O ATOM 1200 CB ALA A 78 8.872 12.090 -7.969 1.00 0.00 C ATOM 0 H ALA A 78 7.352 12.139 -5.993 1.00 0.00 H new ATOM 0 HA ALA A 78 8.628 10.020 -7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.724 11.921 -8.628 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.959 12.144 -8.563 1.00 0.00 H new ATOM 0 HB3 ALA A 78 9.011 13.027 -7.430 1.00 0.00 H new ATOM 1206 N GLU A 79 10.007 11.392 -4.956 1.00 0.00 N ATOM 1207 CA GLU A 79 11.142 11.324 -4.052 1.00 0.00 C ATOM 1208 C GLU A 79 11.521 9.866 -3.785 1.00 0.00 C ATOM 1209 O GLU A 79 12.700 9.543 -3.646 1.00 0.00 O ATOM 1210 CB GLU A 79 10.847 12.061 -2.744 1.00 0.00 C ATOM 1211 CG GLU A 79 12.109 12.190 -1.889 1.00 0.00 C ATOM 1212 CD GLU A 79 12.930 13.413 -2.304 1.00 0.00 C ATOM 1213 OE1 GLU A 79 12.755 14.499 -1.733 1.00 0.00 O ATOM 1214 OE2 GLU A 79 13.776 13.204 -3.256 1.00 0.00 O ATOM 0 H GLU A 79 9.220 11.943 -4.612 1.00 0.00 H new ATOM 0 HA GLU A 79 11.989 11.819 -4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.449 13.052 -2.963 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.079 11.525 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.833 12.272 -0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.715 11.289 -1.990 1.00 0.00 H new ATOM 1222 N TRP A 80 10.500 9.024 -3.723 1.00 0.00 N ATOM 1223 CA TRP A 80 10.712 7.608 -3.475 1.00 0.00 C ATOM 1224 C TRP A 80 11.508 7.037 -4.650 1.00 0.00 C ATOM 1225 O TRP A 80 12.419 6.233 -4.455 1.00 0.00 O ATOM 1226 CB TRP A 80 9.382 6.886 -3.248 1.00 0.00 C ATOM 1227 CG TRP A 80 9.362 5.995 -2.005 1.00 0.00 C ATOM 1228 CD1 TRP A 80 8.305 5.637 -1.263 1.00 0.00 C ATOM 1229 CD2 TRP A 80 10.499 5.359 -1.384 1.00 0.00 C ATOM 1230 NE1 TRP A 80 8.676 4.821 -0.214 1.00 0.00 N ATOM 1231 CE2 TRP A 80 10.053 4.647 -0.290 1.00 0.00 C ATOM 1232 CE3 TRP A 80 11.860 5.386 -1.736 1.00 0.00 C ATOM 1233 CZ2 TRP A 80 10.903 3.907 0.541 1.00 0.00 C ATOM 1234 CZ3 TRP A 80 12.696 4.641 -0.895 1.00 0.00 C ATOM 1235 CH2 TRP A 80 12.263 3.918 0.210 1.00 0.00 C ATOM 0 H TRP A 80 9.524 9.295 -3.840 1.00 0.00 H new ATOM 0 HA TRP A 80 11.285 7.458 -2.560 1.00 0.00 H new ATOM 0 HB2 TRP A 80 8.588 7.628 -3.164 1.00 0.00 H new ATOM 0 HB3 TRP A 80 9.157 6.276 -4.123 1.00 0.00 H new ATOM 0 HD1 TRP A 80 7.290 5.948 -1.461 1.00 0.00 H new ATOM 0 HE1 TRP A 80 8.054 4.419 0.488 1.00 0.00 H new ATOM 0 HE3 TRP A 80 12.231 5.937 -2.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.529 3.357 1.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 13.752 4.627 -1.121 1.00 0.00 H new ATOM 0 HH2 TRP A 80 12.972 3.367 0.810 1.00 0.00 H new ATOM 1246 N ALA A 81 11.136 7.474 -5.844 1.00 0.00 N ATOM 1247 CA ALA A 81 11.805 7.016 -7.050 1.00 0.00 C ATOM 1248 C ALA A 81 13.294 7.359 -6.965 1.00 0.00 C ATOM 1249 O ALA A 81 14.144 6.473 -7.031 1.00 0.00 O ATOM 1250 CB ALA A 81 11.133 7.640 -8.275 1.00 0.00 C ATOM 0 H ALA A 81 10.380 8.140 -6.002 1.00 0.00 H new ATOM 0 HA ALA A 81 11.721 5.934 -7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.635 7.297 -9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.085 7.342 -8.306 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.200 8.726 -8.213 1.00 0.00 H new ATOM 1256 N ARG A 82 13.564 8.648 -6.818 1.00 0.00 N ATOM 1257 CA ARG A 82 14.935 9.120 -6.723 1.00 0.00 C ATOM 1258 C ARG A 82 15.652 8.432 -5.559 1.00 0.00 C ATOM 1259 O ARG A 82 16.762 7.927 -5.722 1.00 0.00 O ATOM 1260 CB ARG A 82 14.983 10.635 -6.519 1.00 0.00 C ATOM 1261 CG ARG A 82 16.427 11.141 -6.507 1.00 0.00 C ATOM 1262 CD ARG A 82 16.553 12.422 -5.681 1.00 0.00 C ATOM 1263 NE ARG A 82 17.119 13.507 -6.513 1.00 0.00 N ATOM 1264 CZ ARG A 82 17.630 14.654 -6.016 1.00 0.00 C ATOM 1265 NH1 ARG A 82 17.650 14.875 -4.684 1.00 0.00 N ATOM 1266 NH2 ARG A 82 18.110 15.556 -6.851 1.00 0.00 N ATOM 0 H ARG A 82 12.856 9.380 -6.762 1.00 0.00 H new ATOM 0 HA ARG A 82 15.436 8.876 -7.659 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.427 11.131 -7.315 1.00 0.00 H new ATOM 0 HB3 ARG A 82 14.495 10.895 -5.580 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.082 10.373 -6.095 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.759 11.329 -7.528 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.575 12.717 -5.300 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.192 12.245 -4.816 1.00 0.00 H new ATOM 0 HE ARG A 82 17.123 13.381 -7.525 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.277 14.173 -4.045 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.038 15.744 -4.317 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.092 15.382 -7.856 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.499 16.428 -6.492 1.00 0.00 H new ATOM 1279 N ASP A 83 14.990 8.435 -4.412 1.00 0.00 N ATOM 1280 CA ASP A 83 15.551 7.818 -3.222 1.00 0.00 C ATOM 1281 C ASP A 83 15.911 6.363 -3.529 1.00 0.00 C ATOM 1282 O ASP A 83 16.990 5.898 -3.166 1.00 0.00 O ATOM 1283 CB ASP A 83 14.542 7.823 -2.072 1.00 0.00 C ATOM 1284 CG ASP A 83 14.744 8.934 -1.039 1.00 0.00 C ATOM 1285 OD1 ASP A 83 13.792 9.629 -0.655 1.00 0.00 O ATOM 1286 OD2 ASP A 83 15.956 9.074 -0.620 1.00 0.00 O ATOM 0 H ASP A 83 14.070 8.855 -4.281 1.00 0.00 H new ATOM 0 HA ASP A 83 16.433 8.388 -2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.539 7.913 -2.489 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.590 6.861 -1.562 1.00 0.00 H new ATOM 1292 N ARG A 84 14.987 5.686 -4.194 1.00 0.00 N ATOM 1293 CA ARG A 84 15.194 4.293 -4.554 1.00 0.00 C ATOM 1294 C ARG A 84 16.189 4.186 -5.711 1.00 0.00 C ATOM 1295 O ARG A 84 16.834 3.154 -5.886 1.00 0.00 O ATOM 1296 CB ARG A 84 13.877 3.628 -4.959 1.00 0.00 C ATOM 1297 CG ARG A 84 13.805 2.192 -4.436 1.00 0.00 C ATOM 1298 CD ARG A 84 12.491 1.944 -3.692 1.00 0.00 C ATOM 1299 NE ARG A 84 11.630 1.032 -4.477 1.00 0.00 N ATOM 1300 CZ ARG A 84 10.513 0.445 -3.996 1.00 0.00 C ATOM 1301 NH1 ARG A 84 10.112 0.670 -2.727 1.00 0.00 N ATOM 1302 NH2 ARG A 84 9.819 -0.354 -4.786 1.00 0.00 N ATOM 0 H ARG A 84 14.093 6.076 -4.493 1.00 0.00 H new ATOM 0 HA ARG A 84 15.593 3.780 -3.679 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.039 4.204 -4.567 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.784 3.629 -6.045 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.893 1.493 -5.268 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.646 2.002 -3.769 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.694 1.512 -2.712 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.975 2.889 -3.523 1.00 0.00 H new ATOM 0 HE ARG A 84 11.897 0.834 -5.441 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.654 1.288 -2.123 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.267 0.222 -2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.129 -0.520 -5.743 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.973 -0.805 -4.439 1.00 0.00 H new ATOM 1315 N LYS A 85 16.281 5.267 -6.472 1.00 0.00 N ATOM 1316 CA LYS A 85 17.186 5.308 -7.608 1.00 0.00 C ATOM 1317 C LYS A 85 18.576 5.737 -7.132 1.00 0.00 C ATOM 1318 O LYS A 85 19.563 5.555 -7.843 1.00 0.00 O ATOM 1319 CB LYS A 85 16.615 6.194 -8.717 1.00 0.00 C ATOM 1320 CG LYS A 85 16.027 5.346 -9.847 1.00 0.00 C ATOM 1321 CD LYS A 85 14.507 5.501 -9.915 1.00 0.00 C ATOM 1322 CE LYS A 85 14.119 6.847 -10.529 1.00 0.00 C ATOM 1323 NZ LYS A 85 14.274 6.810 -12.001 1.00 0.00 N ATOM 0 H LYS A 85 15.744 6.121 -6.324 1.00 0.00 H new ATOM 0 HA LYS A 85 17.291 4.316 -8.047 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.843 6.845 -8.306 1.00 0.00 H new ATOM 0 HB3 LYS A 85 17.399 6.840 -9.112 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.469 5.644 -10.798 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.283 4.298 -9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.082 4.691 -10.508 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.085 5.419 -8.914 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.087 7.087 -10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.743 7.637 -10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.865 7.672 -12.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.284 6.755 -12.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.782 5.976 -12.381 1.00 0.00 H new ATOM 1336 N LEU A 86 18.608 6.299 -5.933 1.00 0.00 N ATOM 1337 CA LEU A 86 19.860 6.756 -5.354 1.00 0.00 C ATOM 1338 C LEU A 86 20.692 5.545 -4.929 1.00 0.00 C ATOM 1339 O LEU A 86 20.433 4.424 -5.365 1.00 0.00 O ATOM 1340 CB LEU A 86 19.595 7.749 -4.220 1.00 0.00 C ATOM 1341 CG LEU A 86 19.863 9.221 -4.541 1.00 0.00 C ATOM 1342 CD1 LEU A 86 19.880 10.066 -3.266 1.00 0.00 C ATOM 1343 CD2 LEU A 86 21.151 9.380 -5.351 1.00 0.00 C ATOM 0 H LEU A 86 17.787 6.448 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 86 20.445 7.302 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.554 7.649 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 86 20.209 7.466 -3.365 1.00 0.00 H new ATOM 0 HG LEU A 86 19.045 9.590 -5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.072 11.108 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 86 18.915 9.988 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.665 9.705 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 86 21.318 10.436 -5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 86 21.992 8.989 -4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.062 8.829 -6.287 1.00 0.00 H new ATOM 1355 N ASN A 87 21.676 5.811 -4.082 1.00 0.00 N ATOM 1356 CA ASN A 87 22.548 4.756 -3.593 1.00 0.00 C ATOM 1357 C ASN A 87 22.327 4.573 -2.090 1.00 0.00 C ATOM 1358 O ASN A 87 23.193 4.049 -1.391 1.00 0.00 O ATOM 1359 CB ASN A 87 24.020 5.111 -3.815 1.00 0.00 C ATOM 1360 CG ASN A 87 24.173 6.131 -4.945 1.00 0.00 C ATOM 1361 OD1 ASN A 87 24.022 7.328 -4.761 1.00 0.00 O ATOM 1362 ND2 ASN A 87 24.481 5.593 -6.121 1.00 0.00 N ATOM 0 H ASN A 87 21.889 6.741 -3.722 1.00 0.00 H new ATOM 0 HA ASN A 87 22.311 3.843 -4.139 1.00 0.00 H new ATOM 0 HB2 ASN A 87 24.443 5.515 -2.895 1.00 0.00 H new ATOM 0 HB3 ASN A 87 24.583 4.209 -4.055 1.00 0.00 H new ATOM 0 HD21 ASN A 87 24.605 6.190 -6.938 1.00 0.00 H new ATOM 0 HD22 ASN A 87 24.593 4.583 -6.206 1.00 0.00 H new ATOM 1369 N GLY A 88 21.163 5.016 -1.637 1.00 0.00 N ATOM 1370 CA GLY A 88 20.817 4.908 -0.230 1.00 0.00 C ATOM 1371 C GLY A 88 19.763 3.822 -0.007 1.00 0.00 C ATOM 1372 O GLY A 88 19.745 3.175 1.040 1.00 0.00 O ATOM 0 H GLY A 88 20.448 5.451 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 88 21.710 4.678 0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 88 20.440 5.865 0.130 1.00 0.00 H new ATOM 1376 N PHE A 89 18.911 3.654 -1.007 1.00 0.00 N ATOM 1377 CA PHE A 89 17.856 2.658 -0.933 1.00 0.00 C ATOM 1378 C PHE A 89 18.026 1.597 -2.022 1.00 0.00 C ATOM 1379 O PHE A 89 17.214 0.679 -2.132 1.00 0.00 O ATOM 1380 CB PHE A 89 16.531 3.391 -1.153 1.00 0.00 C ATOM 1381 CG PHE A 89 15.891 3.919 0.132 1.00 0.00 C ATOM 1382 CD1 PHE A 89 15.510 3.052 1.108 1.00 0.00 C ATOM 1383 CD2 PHE A 89 15.702 5.256 0.298 1.00 0.00 C ATOM 1384 CE1 PHE A 89 14.916 3.542 2.301 1.00 0.00 C ATOM 1385 CE2 PHE A 89 15.108 5.746 1.491 1.00 0.00 C ATOM 1386 CZ PHE A 89 14.727 4.879 2.467 1.00 0.00 C ATOM 0 H PHE A 89 18.930 4.191 -1.874 1.00 0.00 H new ATOM 0 HA PHE A 89 17.887 2.156 0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 89 16.698 4.226 -1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 89 15.831 2.715 -1.644 1.00 0.00 H new ATOM 0 HD1 PHE A 89 15.659 1.991 0.976 1.00 0.00 H new ATOM 0 HD2 PHE A 89 16.004 5.945 -0.477 1.00 0.00 H new ATOM 0 HE1 PHE A 89 14.614 2.853 3.076 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.959 6.807 1.623 1.00 0.00 H new ATOM 0 HZ PHE A 89 14.274 5.252 3.374 1.00 0.00 H new ATOM 1396 N LEU A 90 19.086 1.759 -2.801 1.00 0.00 N ATOM 1397 CA LEU A 90 19.372 0.827 -3.878 1.00 0.00 C ATOM 1398 C LEU A 90 20.875 0.542 -3.913 1.00 0.00 C ATOM 1399 O LEU A 90 21.380 -0.026 -4.880 1.00 0.00 O ATOM 1400 CB LEU A 90 18.815 1.351 -5.203 1.00 0.00 C ATOM 1401 CG LEU A 90 19.266 0.608 -6.462 1.00 0.00 C ATOM 1402 CD1 LEU A 90 18.084 0.348 -7.398 1.00 0.00 C ATOM 1403 CD2 LEU A 90 20.400 1.357 -7.164 1.00 0.00 C ATOM 0 H LEU A 90 19.757 2.522 -2.707 1.00 0.00 H new ATOM 0 HA LEU A 90 18.870 -0.124 -3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 90 17.727 1.317 -5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 90 19.097 2.399 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 90 19.659 -0.364 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 90 18.432 -0.181 -8.285 1.00 0.00 H new ATOM 0 HD12 LEU A 90 17.338 -0.258 -6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 90 17.638 1.298 -7.694 1.00 0.00 H new ATOM 0 HD21 LEU A 90 20.702 0.807 -8.056 1.00 0.00 H new ATOM 0 HD22 LEU A 90 20.057 2.352 -7.449 1.00 0.00 H new ATOM 0 HD23 LEU A 90 21.250 1.446 -6.488 1.00 0.00 H new ATOM 1415 N GLU A 91 21.548 0.950 -2.847 1.00 0.00 N ATOM 1416 CA GLU A 91 22.983 0.745 -2.744 1.00 0.00 C ATOM 1417 C GLU A 91 23.479 1.157 -1.357 1.00 0.00 C ATOM 1418 O GLU A 91 22.681 1.481 -0.479 1.00 0.00 O ATOM 1419 CB GLU A 91 23.726 1.509 -3.842 1.00 0.00 C ATOM 1420 CG GLU A 91 24.732 0.604 -4.555 1.00 0.00 C ATOM 1421 CD GLU A 91 24.582 0.707 -6.074 1.00 0.00 C ATOM 1422 OE1 GLU A 91 25.360 1.417 -6.727 1.00 0.00 O ATOM 1423 OE2 GLU A 91 23.616 0.014 -6.574 1.00 0.00 O ATOM 0 H GLU A 91 21.126 1.422 -2.047 1.00 0.00 H new ATOM 0 HA GLU A 91 23.190 -0.316 -2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 91 23.010 1.903 -4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 91 24.244 2.364 -3.408 1.00 0.00 H new ATOM 0 HG2 GLU A 91 25.745 0.883 -4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 91 24.584 -0.429 -4.241 1.00 0.00 H new ATOM 1431 N HIS A 92 24.795 1.131 -1.203 1.00 0.00 N ATOM 1432 CA HIS A 92 25.408 1.498 0.063 1.00 0.00 C ATOM 1433 C HIS A 92 26.925 1.323 -0.031 1.00 0.00 C ATOM 1434 O HIS A 92 27.486 0.406 0.566 1.00 0.00 O ATOM 1435 CB HIS A 92 24.790 0.704 1.216 1.00 0.00 C ATOM 1436 CG HIS A 92 24.117 -0.578 0.788 1.00 0.00 C ATOM 1437 ND1 HIS A 92 22.745 -0.757 0.834 1.00 0.00 N ATOM 1438 CD2 HIS A 92 24.640 -1.741 0.304 1.00 0.00 C ATOM 1439 CE1 HIS A 92 22.467 -1.976 0.397 1.00 0.00 C ATOM 1440 NE2 HIS A 92 23.643 -2.584 0.069 1.00 0.00 N ATOM 0 H HIS A 92 25.454 0.862 -1.934 1.00 0.00 H new ATOM 0 HA HIS A 92 25.211 2.549 0.275 1.00 0.00 H new ATOM 0 HB2 HIS A 92 25.570 0.469 1.940 1.00 0.00 H new ATOM 0 HB3 HIS A 92 24.060 1.333 1.726 1.00 0.00 H new ATOM 0 HD1 HIS A 92 22.064 -0.067 1.151 1.00 0.00 H new ATOM 0 HD2 HIS A 92 25.688 -1.942 0.140 1.00 0.00 H new ATOM 0 HE1 HIS A 92 21.482 -2.412 0.315 1.00 0.00 H new ATOM 1448 N HIS A 93 27.545 2.217 -0.787 1.00 0.00 N ATOM 1449 CA HIS A 93 28.986 2.173 -0.967 1.00 0.00 C ATOM 1450 C HIS A 93 29.677 2.723 0.283 1.00 0.00 C ATOM 1451 O HIS A 93 29.033 3.333 1.135 1.00 0.00 O ATOM 1452 CB HIS A 93 29.397 2.910 -2.243 1.00 0.00 C ATOM 1453 CG HIS A 93 30.542 2.262 -2.985 1.00 0.00 C ATOM 1454 ND1 HIS A 93 31.869 2.537 -2.703 1.00 0.00 N ATOM 1455 CD2 HIS A 93 30.544 1.350 -3.999 1.00 0.00 C ATOM 1456 CE1 HIS A 93 32.627 1.818 -3.518 1.00 0.00 C ATOM 1457 NE2 HIS A 93 31.804 1.083 -4.321 1.00 0.00 N ATOM 0 H HIS A 93 27.076 2.976 -1.282 1.00 0.00 H new ATOM 0 HA HIS A 93 29.308 1.139 -1.093 1.00 0.00 H new ATOM 0 HB2 HIS A 93 28.536 2.972 -2.908 1.00 0.00 H new ATOM 0 HB3 HIS A 93 29.676 3.932 -1.986 1.00 0.00 H new ATOM 0 HD2 HIS A 93 29.669 0.918 -4.462 1.00 0.00 H new ATOM 0 HE1 HIS A 93 33.707 1.814 -3.542 1.00 0.00 H new ATOM 0 HE2 HIS A 93 32.107 0.435 -5.048 1.00 0.00 H new ATOM 1465 N HIS A 94 30.979 2.486 0.353 1.00 0.00 N ATOM 1466 CA HIS A 94 31.764 2.950 1.484 1.00 0.00 C ATOM 1467 C HIS A 94 31.320 2.216 2.752 1.00 0.00 C ATOM 1468 O HIS A 94 30.162 2.312 3.155 1.00 0.00 O ATOM 1469 CB HIS A 94 31.677 4.472 1.619 1.00 0.00 C ATOM 1470 CG HIS A 94 32.839 5.210 0.999 1.00 0.00 C ATOM 1471 ND1 HIS A 94 34.153 4.990 1.375 1.00 0.00 N ATOM 1472 CD2 HIS A 94 32.871 6.166 0.027 1.00 0.00 C ATOM 1473 CE1 HIS A 94 34.932 5.784 0.655 1.00 0.00 C ATOM 1474 NE2 HIS A 94 34.136 6.512 -0.180 1.00 0.00 N ATOM 0 H HIS A 94 31.510 1.979 -0.355 1.00 0.00 H new ATOM 0 HA HIS A 94 32.816 2.718 1.320 1.00 0.00 H new ATOM 0 HB2 HIS A 94 30.752 4.816 1.155 1.00 0.00 H new ATOM 0 HB3 HIS A 94 31.618 4.730 2.676 1.00 0.00 H new ATOM 0 HD2 HIS A 94 32.013 6.573 -0.487 1.00 0.00 H new ATOM 0 HE1 HIS A 94 36.008 5.844 0.718 1.00 0.00 H new ATOM 0 HE2 HIS A 94 34.459 7.207 -0.852 1.00 0.00 H new ATOM 1482 N HIS A 95 32.265 1.501 3.344 1.00 0.00 N ATOM 1483 CA HIS A 95 31.986 0.752 4.557 1.00 0.00 C ATOM 1484 C HIS A 95 32.168 1.660 5.775 1.00 0.00 C ATOM 1485 O HIS A 95 33.282 2.088 6.074 1.00 0.00 O ATOM 1486 CB HIS A 95 32.848 -0.511 4.626 1.00 0.00 C ATOM 1487 CG HIS A 95 34.333 -0.240 4.664 1.00 0.00 C ATOM 1488 ND1 HIS A 95 35.042 -0.114 5.846 1.00 0.00 N ATOM 1489 CD2 HIS A 95 35.235 -0.074 3.654 1.00 0.00 C ATOM 1490 CE1 HIS A 95 36.312 0.119 5.549 1.00 0.00 C ATOM 1491 NE2 HIS A 95 36.429 0.143 4.190 1.00 0.00 N ATOM 0 H HIS A 95 33.224 1.425 3.006 1.00 0.00 H new ATOM 0 HA HIS A 95 30.949 0.415 4.550 1.00 0.00 H new ATOM 0 HB2 HIS A 95 32.570 -1.080 5.513 1.00 0.00 H new ATOM 0 HB3 HIS A 95 32.625 -1.138 3.763 1.00 0.00 H new ATOM 0 HD2 HIS A 95 35.014 -0.113 2.597 1.00 0.00 H new ATOM 0 HE1 HIS A 95 37.114 0.264 6.258 1.00 0.00 H new ATOM 0 HE2 HIS A 95 37.293 0.302 3.671 1.00 0.00 H new ATOM 1499 N HIS A 96 31.057 1.928 6.444 1.00 0.00 N ATOM 1500 CA HIS A 96 31.079 2.778 7.623 1.00 0.00 C ATOM 1501 C HIS A 96 29.955 2.365 8.575 1.00 0.00 C ATOM 1502 O HIS A 96 28.946 3.059 8.687 1.00 0.00 O ATOM 1503 CB HIS A 96 31.010 4.255 7.229 1.00 0.00 C ATOM 1504 CG HIS A 96 32.196 5.069 7.688 1.00 0.00 C ATOM 1505 ND1 HIS A 96 32.082 6.373 8.135 1.00 0.00 N ATOM 1506 CD2 HIS A 96 33.520 4.750 7.764 1.00 0.00 C ATOM 1507 CE1 HIS A 96 33.289 6.810 8.463 1.00 0.00 C ATOM 1508 NE2 HIS A 96 34.179 5.803 8.232 1.00 0.00 N ATOM 0 H HIS A 96 30.135 1.572 6.192 1.00 0.00 H new ATOM 0 HA HIS A 96 32.023 2.647 8.153 1.00 0.00 H new ATOM 0 HB2 HIS A 96 30.930 4.328 6.144 1.00 0.00 H new ATOM 0 HB3 HIS A 96 30.101 4.689 7.645 1.00 0.00 H new ATOM 0 HD2 HIS A 96 33.958 3.802 7.490 1.00 0.00 H new ATOM 0 HE1 HIS A 96 33.526 7.791 8.846 1.00 0.00 H new ATOM 0 HE2 HIS A 96 35.185 5.851 8.392 1.00 0.00 H new ATOM 1516 N HIS A 97 30.167 1.237 9.236 1.00 0.00 N ATOM 1517 CA HIS A 97 29.184 0.723 10.175 1.00 0.00 C ATOM 1518 C HIS A 97 27.816 0.649 9.496 1.00 0.00 C ATOM 1519 O HIS A 97 27.659 -0.025 8.479 1.00 0.00 O ATOM 1520 CB HIS A 97 29.167 1.561 11.455 1.00 0.00 C ATOM 1521 CG HIS A 97 29.107 0.743 12.723 1.00 0.00 C ATOM 1522 ND1 HIS A 97 30.075 0.817 13.709 1.00 0.00 N ATOM 1523 CD2 HIS A 97 28.186 -0.165 13.155 1.00 0.00 C ATOM 1524 CE1 HIS A 97 29.742 -0.014 14.686 1.00 0.00 C ATOM 1525 NE2 HIS A 97 28.571 -0.622 14.341 1.00 0.00 N ATOM 0 H HIS A 97 31.005 0.664 9.140 1.00 0.00 H new ATOM 0 HA HIS A 97 29.456 -0.289 10.476 1.00 0.00 H new ATOM 0 HB2 HIS A 97 30.060 2.186 11.480 1.00 0.00 H new ATOM 0 HB3 HIS A 97 28.309 2.232 11.427 1.00 0.00 H new ATOM 0 HD2 HIS A 97 27.294 -0.462 12.623 1.00 0.00 H new ATOM 0 HE1 HIS A 97 30.300 -0.181 15.596 1.00 0.00 H new ATOM 0 HE2 HIS A 97 28.073 -1.314 14.901 1.00 0.00 H new TER 1533 HIS A 97