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 55 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 59 MET CE :methyl -103:sc= -0.873 (180deg=-2.81!) USER MOD Set 2.1: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 53 THR OG1 : rot -170:sc= 0 USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 17 ASN : amide:sc= 1.17 K(o=1.2,f=-0.55) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.0851 (180deg=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.628 K(o=-0.63,f=-4.8!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -1.89! C(o=-1.9!,f=-2!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -26:sc= 0.052 USER MOD Single : A 22 GLN : amide:sc= -0.021 X(o=-0.021,f=-0.011) USER MOD Single : A 25 HIS : no HD1:sc= -5.05! C(o=-5.1!,f=-7.1!) USER MOD Single : A 27 SER OG : rot 152:sc= 0.548 USER MOD Single : A 31 SER OG : rot 91:sc= -0.0908 USER MOD Single : A 32 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.25) USER MOD Single : A 34 GLN : amide:sc= -8.01! C(o=-8!,f=-11!) USER MOD Single : A 45 MET CE :methyl -160:sc= -5.21! (180deg=-6.83!) USER MOD Single : A 46 SER OG : rot 180:sc= -1.3 USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= -0.746 (180deg=-0.756) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.119 F(o=-0.64,f=-0.12) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -5.74! C(o=-6.6!,f=-5.7!) USER MOD Single : A 68 HIS : no HD1:sc= -7.83! C(o=-7.8!,f=-8!) 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 30:sc= -0.0917 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 85 LYS NZ :NH3+ -146:sc= -0.221 (180deg=-1.13!) USER MOD Single : A 87 ASN : amide:sc= 0.145 K(o=0.14,f=-2.3!) USER MOD Single : A 92 HIS : no HD1:sc= -0.606 X(o=-0.61,f=-0.28) USER MOD Single : A 93 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.37) USER MOD Single : A 94 HIS :FLIP no HD1:sc= -0.606 F(o=-1.6,f=-0.61) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.243 X(o=-0.24,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 1.135 0.105 -2.449 1.00 0.00 C ATOM 4 O MET A 1 -0.080 -0.032 -2.308 1.00 0.00 O ATOM 5 CB MET A 1 2.893 -1.288 -1.349 1.00 0.00 C ATOM 6 CG MET A 1 4.284 -1.102 -0.739 1.00 0.00 C ATOM 7 SD MET A 1 5.321 -2.496 -1.147 1.00 0.00 S ATOM 8 CE MET A 1 6.659 -1.655 -1.977 1.00 0.00 C ATOM 0 H1 MET A 1 1.738 -0.696 0.653 1.00 0.00 H new ATOM 0 H2 MET A 1 1.367 0.946 0.430 1.00 0.00 H new ATOM 0 H3 MET A 1 0.334 -0.250 -0.191 1.00 0.00 H new ATOM 0 HA MET A 1 2.736 0.865 -1.248 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.372 -2.097 -0.837 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.987 -1.581 -2.395 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.734 -0.182 -1.112 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.205 -1.002 0.343 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.402 -2.384 -2.300 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.271 -1.123 -2.845 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.122 -0.944 -1.293 1.00 0.00 H new ATOM 18 N ILE A 2 1.733 0.348 -3.606 1.00 0.00 N ATOM 19 CA ILE A 2 0.966 0.473 -4.834 1.00 0.00 C ATOM 20 C ILE A 2 1.766 -0.123 -5.993 1.00 0.00 C ATOM 21 O ILE A 2 2.748 -0.831 -5.775 1.00 0.00 O ATOM 22 CB ILE A 2 0.548 1.928 -5.058 1.00 0.00 C ATOM 23 CG1 ILE A 2 -0.785 2.007 -5.804 1.00 0.00 C ATOM 24 CG2 ILE A 2 1.652 2.711 -5.772 1.00 0.00 C ATOM 25 CD1 ILE A 2 -1.745 2.977 -5.112 1.00 0.00 C ATOM 0 H ILE A 2 2.740 0.462 -3.719 1.00 0.00 H new ATOM 0 HA ILE A 2 0.038 -0.094 -4.763 1.00 0.00 H new ATOM 0 HB ILE A 2 0.400 2.395 -4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.613 2.331 -6.830 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.237 1.016 -5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.330 3.742 -5.919 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.558 2.697 -5.166 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.855 2.253 -6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.685 3.014 -5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.935 2.637 -4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.301 3.972 -5.085 1.00 0.00 H new ATOM 37 N GLU A 3 1.316 0.186 -7.201 1.00 0.00 N ATOM 38 CA GLU A 3 1.978 -0.311 -8.395 1.00 0.00 C ATOM 39 C GLU A 3 1.076 -0.127 -9.617 1.00 0.00 C ATOM 40 O GLU A 3 -0.141 -0.005 -9.483 1.00 0.00 O ATOM 41 CB GLU A 3 2.383 -1.777 -8.228 1.00 0.00 C ATOM 42 CG GLU A 3 3.905 -1.923 -8.183 1.00 0.00 C ATOM 43 CD GLU A 3 4.309 -3.371 -7.897 1.00 0.00 C ATOM 44 OE1 GLU A 3 4.960 -4.010 -8.738 1.00 0.00 O ATOM 45 OE2 GLU A 3 3.923 -3.830 -6.755 1.00 0.00 O ATOM 0 H GLU A 3 0.502 0.774 -7.378 1.00 0.00 H new ATOM 0 HA GLU A 3 2.889 0.268 -8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.948 -2.176 -7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.982 -2.365 -9.053 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.333 -1.603 -9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.314 -1.269 -7.413 1.00 0.00 H new ATOM 53 N ASP A 4 1.707 -0.112 -10.782 1.00 0.00 N ATOM 54 CA ASP A 4 0.977 0.055 -12.027 1.00 0.00 C ATOM 55 C ASP A 4 0.134 -1.195 -12.290 1.00 0.00 C ATOM 56 O ASP A 4 0.544 -2.306 -11.958 1.00 0.00 O ATOM 57 CB ASP A 4 1.933 0.237 -13.207 1.00 0.00 C ATOM 58 CG ASP A 4 1.349 -0.122 -14.575 1.00 0.00 C ATOM 59 OD1 ASP A 4 1.177 -1.304 -14.906 1.00 0.00 O ATOM 60 OD2 ASP A 4 1.062 0.887 -15.326 1.00 0.00 O ATOM 0 H ASP A 4 2.716 -0.213 -10.890 1.00 0.00 H new ATOM 0 HA ASP A 4 0.349 0.941 -11.933 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.263 1.276 -13.231 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.819 -0.375 -13.035 1.00 0.00 H new ATOM 66 N PRO A 5 -1.059 -0.965 -12.901 1.00 0.00 N ATOM 67 CA PRO A 5 -1.963 -2.059 -13.213 1.00 0.00 C ATOM 68 C PRO A 5 -1.462 -2.859 -14.417 1.00 0.00 C ATOM 69 O PRO A 5 -0.955 -2.286 -15.380 1.00 0.00 O ATOM 70 CB PRO A 5 -3.310 -1.399 -13.458 1.00 0.00 C ATOM 71 CG PRO A 5 -3.012 0.066 -13.732 1.00 0.00 C ATOM 72 CD PRO A 5 -1.578 0.337 -13.310 1.00 0.00 C ATOM 0 HA PRO A 5 -2.033 -2.789 -12.407 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.822 -1.858 -14.304 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -3.963 -1.510 -12.592 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -3.148 0.292 -14.790 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.700 0.705 -13.179 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.996 0.755 -14.131 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.535 1.055 -12.491 1.00 0.00 H new ATOM 80 N MET A 6 -1.620 -4.171 -14.323 1.00 0.00 N ATOM 81 CA MET A 6 -1.189 -5.056 -15.392 1.00 0.00 C ATOM 82 C MET A 6 -1.217 -6.517 -14.940 1.00 0.00 C ATOM 83 O MET A 6 -0.250 -7.010 -14.361 1.00 0.00 O ATOM 84 CB MET A 6 0.230 -4.681 -15.824 1.00 0.00 C ATOM 85 CG MET A 6 0.936 -5.872 -16.477 1.00 0.00 C ATOM 86 SD MET A 6 2.023 -5.301 -17.772 1.00 0.00 S ATOM 87 CE MET A 6 1.011 -5.645 -19.201 1.00 0.00 C ATOM 0 H MET A 6 -2.041 -4.643 -13.523 1.00 0.00 H new ATOM 0 HA MET A 6 -1.875 -4.943 -16.231 1.00 0.00 H new ATOM 0 HB2 MET A 6 0.192 -3.847 -16.525 1.00 0.00 H new ATOM 0 HB3 MET A 6 0.801 -4.345 -14.958 1.00 0.00 H new ATOM 0 HG2 MET A 6 1.506 -6.423 -15.729 1.00 0.00 H new ATOM 0 HG3 MET A 6 0.199 -6.562 -16.887 1.00 0.00 H new ATOM 0 HE1 MET A 6 1.543 -5.346 -20.104 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.793 -6.712 -19.244 1.00 0.00 H new ATOM 0 HE3 MET A 6 0.078 -5.087 -19.129 1.00 0.00 H new ATOM 97 N GLU A 7 -2.336 -7.169 -15.221 1.00 0.00 N ATOM 98 CA GLU A 7 -2.502 -8.564 -14.850 1.00 0.00 C ATOM 99 C GLU A 7 -1.313 -9.390 -15.344 1.00 0.00 C ATOM 100 O GLU A 7 -0.266 -9.426 -14.698 1.00 0.00 O ATOM 101 CB GLU A 7 -3.820 -9.122 -15.392 1.00 0.00 C ATOM 102 CG GLU A 7 -5.011 -8.583 -14.598 1.00 0.00 C ATOM 103 CD GLU A 7 -6.268 -8.521 -15.469 1.00 0.00 C ATOM 104 OE1 GLU A 7 -6.191 -8.121 -16.640 1.00 0.00 O ATOM 105 OE2 GLU A 7 -7.353 -8.910 -14.889 1.00 0.00 O ATOM 0 H GLU A 7 -3.136 -6.757 -15.701 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.537 -8.629 -13.762 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.928 -8.854 -16.443 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.807 -10.211 -15.340 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.195 -9.221 -13.733 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.779 -7.588 -14.217 1.00 0.00 H new ATOM 113 N ASN A 8 -1.512 -10.033 -16.485 1.00 0.00 N ATOM 114 CA ASN A 8 -0.469 -10.857 -17.072 1.00 0.00 C ATOM 115 C ASN A 8 -0.344 -12.158 -16.278 1.00 0.00 C ATOM 116 O ASN A 8 0.530 -12.977 -16.555 1.00 0.00 O ATOM 117 CB ASN A 8 0.884 -10.145 -17.029 1.00 0.00 C ATOM 118 CG ASN A 8 1.528 -10.106 -18.416 1.00 0.00 C ATOM 119 OD1 ASN A 8 1.062 -10.718 -19.363 1.00 0.00 O ATOM 120 ND2 ASN A 8 2.623 -9.353 -18.484 1.00 0.00 N ATOM 0 H ASN A 8 -2.380 -10.000 -17.019 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.740 -11.055 -18.109 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.753 -9.129 -16.657 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.546 -10.657 -16.331 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.125 -9.262 -19.367 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.960 -8.867 -17.653 1.00 0.00 H new ATOM 127 N ASN A 9 -1.232 -12.308 -15.306 1.00 0.00 N ATOM 128 CA ASN A 9 -1.232 -13.496 -14.469 1.00 0.00 C ATOM 129 C ASN A 9 -2.044 -14.597 -15.155 1.00 0.00 C ATOM 130 O ASN A 9 -1.899 -15.774 -14.829 1.00 0.00 O ATOM 131 CB ASN A 9 -1.874 -13.212 -13.110 1.00 0.00 C ATOM 132 CG ASN A 9 -1.023 -12.237 -12.294 1.00 0.00 C ATOM 133 OD1 ASN A 9 -1.281 -11.046 -12.237 1.00 0.00 O ATOM 134 ND2 ASN A 9 0.003 -12.807 -11.669 1.00 0.00 N ATOM 0 H ASN A 9 -1.956 -11.627 -15.079 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.197 -13.805 -14.321 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.871 -12.796 -13.255 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.994 -14.145 -12.559 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.631 -12.241 -11.099 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.162 -13.811 -11.759 1.00 0.00 H new ATOM 141 N GLU A 10 -2.881 -14.175 -16.091 1.00 0.00 N ATOM 142 CA GLU A 10 -3.716 -15.111 -16.826 1.00 0.00 C ATOM 143 C GLU A 10 -2.846 -16.102 -17.601 1.00 0.00 C ATOM 144 O GLU A 10 -2.741 -17.269 -17.225 1.00 0.00 O ATOM 145 CB GLU A 10 -4.674 -14.372 -17.762 1.00 0.00 C ATOM 146 CG GLU A 10 -6.078 -14.296 -17.160 1.00 0.00 C ATOM 147 CD GLU A 10 -6.092 -13.410 -15.913 1.00 0.00 C ATOM 148 OE1 GLU A 10 -5.582 -13.815 -14.858 1.00 0.00 O ATOM 149 OE2 GLU A 10 -6.659 -12.261 -16.066 1.00 0.00 O ATOM 0 H GLU A 10 -2.999 -13.198 -16.358 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.319 -15.670 -16.111 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.300 -13.366 -17.950 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.714 -14.882 -18.724 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.774 -13.900 -17.900 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.422 -15.298 -16.903 1.00 0.00 H new ATOM 157 N ILE A 11 -2.245 -15.602 -18.671 1.00 0.00 N ATOM 158 CA ILE A 11 -1.388 -16.430 -19.503 1.00 0.00 C ATOM 159 C ILE A 11 -0.444 -17.238 -18.610 1.00 0.00 C ATOM 160 O ILE A 11 -0.066 -18.357 -18.953 1.00 0.00 O ATOM 161 CB ILE A 11 -0.666 -15.574 -20.546 1.00 0.00 C ATOM 162 CG1 ILE A 11 0.375 -14.668 -19.886 1.00 0.00 C ATOM 163 CG2 ILE A 11 -1.665 -14.780 -21.390 1.00 0.00 C ATOM 164 CD1 ILE A 11 -0.298 -13.553 -19.083 1.00 0.00 C ATOM 0 H ILE A 11 -2.334 -14.634 -18.981 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.983 -17.147 -20.069 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.130 -16.239 -21.223 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.013 -15.260 -19.229 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.020 -14.233 -20.650 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.126 -14.180 -22.123 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.334 -15.469 -21.906 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.248 -14.124 -20.743 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.465 -12.924 -18.624 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.916 -12.949 -19.747 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.923 -13.991 -18.305 1.00 0.00 H new ATOM 176 N GLN A 12 -0.089 -16.639 -17.483 1.00 0.00 N ATOM 177 CA GLN A 12 0.803 -17.289 -16.538 1.00 0.00 C ATOM 178 C GLN A 12 0.079 -18.430 -15.823 1.00 0.00 C ATOM 179 O GLN A 12 0.662 -19.486 -15.582 1.00 0.00 O ATOM 180 CB GLN A 12 1.367 -16.281 -15.534 1.00 0.00 C ATOM 181 CG GLN A 12 2.880 -16.132 -15.698 1.00 0.00 C ATOM 182 CD GLN A 12 3.433 -15.070 -14.744 1.00 0.00 C ATOM 183 OE1 GLN A 12 3.683 -15.318 -13.576 1.00 0.00 O ATOM 184 NE2 GLN A 12 3.609 -13.878 -15.306 1.00 0.00 N ATOM 0 H GLN A 12 -0.403 -15.710 -17.203 1.00 0.00 H new ATOM 0 HA GLN A 12 1.643 -17.709 -17.091 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.885 -15.313 -15.675 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.138 -16.606 -14.519 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.366 -17.088 -15.505 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.113 -15.858 -16.727 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.379 -13.739 -16.290 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.974 -13.102 -14.753 1.00 0.00 H new ATOM 193 N SER A 13 -1.182 -18.179 -15.502 1.00 0.00 N ATOM 194 CA SER A 13 -1.993 -19.173 -14.818 1.00 0.00 C ATOM 195 C SER A 13 -2.273 -20.352 -15.752 1.00 0.00 C ATOM 196 O SER A 13 -2.257 -21.505 -15.324 1.00 0.00 O ATOM 197 CB SER A 13 -3.306 -18.565 -14.321 1.00 0.00 C ATOM 198 OG SER A 13 -4.043 -19.477 -13.512 1.00 0.00 O ATOM 0 H SER A 13 -1.662 -17.302 -15.703 1.00 0.00 H new ATOM 0 HA SER A 13 -1.438 -19.529 -13.950 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.094 -17.662 -13.748 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.913 -18.265 -15.175 1.00 0.00 H new ATOM 0 HG SER A 13 -4.874 -19.052 -13.213 1.00 0.00 H new ATOM 204 N VAL A 14 -2.524 -20.022 -17.010 1.00 0.00 N ATOM 205 CA VAL A 14 -2.808 -21.039 -18.008 1.00 0.00 C ATOM 206 C VAL A 14 -1.508 -21.753 -18.387 1.00 0.00 C ATOM 207 O VAL A 14 -1.527 -22.922 -18.768 1.00 0.00 O ATOM 208 CB VAL A 14 -3.516 -20.410 -19.210 1.00 0.00 C ATOM 209 CG1 VAL A 14 -2.514 -20.040 -20.305 1.00 0.00 C ATOM 210 CG2 VAL A 14 -4.604 -21.339 -19.753 1.00 0.00 C ATOM 0 H VAL A 14 -2.537 -19.064 -17.361 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.487 -21.791 -17.604 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.997 -19.492 -18.873 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.044 -19.595 -21.147 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.792 -19.324 -19.911 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.991 -20.937 -20.638 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.092 -20.868 -20.607 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.155 -22.281 -20.066 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.342 -21.530 -18.974 1.00 0.00 H new ATOM 220 N LEU A 15 -0.411 -21.019 -18.268 1.00 0.00 N ATOM 221 CA LEU A 15 0.894 -21.567 -18.593 1.00 0.00 C ATOM 222 C LEU A 15 1.326 -22.534 -17.488 1.00 0.00 C ATOM 223 O LEU A 15 2.016 -23.517 -17.753 1.00 0.00 O ATOM 224 CB LEU A 15 1.898 -20.442 -18.853 1.00 0.00 C ATOM 225 CG LEU A 15 3.373 -20.850 -18.868 1.00 0.00 C ATOM 226 CD1 LEU A 15 3.790 -21.345 -20.254 1.00 0.00 C ATOM 227 CD2 LEU A 15 4.263 -19.706 -18.377 1.00 0.00 C ATOM 0 H LEU A 15 -0.400 -20.050 -17.951 1.00 0.00 H new ATOM 0 HA LEU A 15 0.847 -22.141 -19.519 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.659 -19.983 -19.812 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.761 -19.676 -18.090 1.00 0.00 H new ATOM 0 HG LEU A 15 3.505 -21.681 -18.175 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.842 -21.629 -20.238 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.185 -22.209 -20.529 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.640 -20.550 -20.985 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.306 -20.022 -18.397 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.133 -18.840 -19.026 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.984 -19.440 -17.357 1.00 0.00 H new ATOM 239 N MET A 16 0.902 -22.220 -16.273 1.00 0.00 N ATOM 240 CA MET A 16 1.237 -23.048 -15.127 1.00 0.00 C ATOM 241 C MET A 16 0.314 -24.266 -15.043 1.00 0.00 C ATOM 242 O MET A 16 0.769 -25.376 -14.771 1.00 0.00 O ATOM 243 CB MET A 16 1.109 -22.223 -13.845 1.00 0.00 C ATOM 244 CG MET A 16 2.319 -22.437 -12.933 1.00 0.00 C ATOM 245 SD MET A 16 3.159 -20.886 -12.659 1.00 0.00 S ATOM 246 CE MET A 16 4.855 -21.440 -12.702 1.00 0.00 C ATOM 0 H MET A 16 0.330 -21.404 -16.057 1.00 0.00 H new ATOM 0 HA MET A 16 2.263 -23.398 -15.243 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.020 -21.166 -14.096 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.197 -22.503 -13.317 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.997 -22.859 -11.981 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.003 -23.155 -13.385 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.519 -20.590 -12.546 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.017 -22.176 -11.915 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.066 -21.892 -13.671 1.00 0.00 H new ATOM 256 N ASN A 17 -0.965 -24.017 -15.281 1.00 0.00 N ATOM 257 CA ASN A 17 -1.955 -25.080 -15.236 1.00 0.00 C ATOM 258 C ASN A 17 -1.648 -26.104 -16.330 1.00 0.00 C ATOM 259 O ASN A 17 -1.714 -27.310 -16.094 1.00 0.00 O ATOM 260 CB ASN A 17 -3.362 -24.532 -15.484 1.00 0.00 C ATOM 261 CG ASN A 17 -4.019 -24.096 -14.172 1.00 0.00 C ATOM 262 OD1 ASN A 17 -4.467 -24.902 -13.374 1.00 0.00 O ATOM 263 ND2 ASN A 17 -4.050 -22.778 -13.996 1.00 0.00 N ATOM 0 H ASN A 17 -1.339 -23.095 -15.506 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.914 -25.537 -14.247 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.311 -23.685 -16.169 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.974 -25.295 -15.966 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.467 -22.386 -13.152 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.656 -22.159 -14.705 1.00 0.00 H new ATOM 270 N ALA A 18 -1.318 -25.587 -17.505 1.00 0.00 N ATOM 271 CA ALA A 18 -1.000 -26.442 -18.636 1.00 0.00 C ATOM 272 C ALA A 18 0.202 -27.321 -18.284 1.00 0.00 C ATOM 273 O ALA A 18 0.097 -28.547 -18.272 1.00 0.00 O ATOM 274 CB ALA A 18 -0.748 -25.579 -19.874 1.00 0.00 C ATOM 0 H ALA A 18 -1.264 -24.587 -17.698 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.836 -27.103 -18.864 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.509 -26.221 -20.722 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.641 -24.997 -20.099 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.087 -24.904 -19.683 1.00 0.00 H new ATOM 280 N LEU A 19 1.316 -26.661 -18.005 1.00 0.00 N ATOM 281 CA LEU A 19 2.537 -27.366 -17.654 1.00 0.00 C ATOM 282 C LEU A 19 3.592 -26.356 -17.200 1.00 0.00 C ATOM 283 O LEU A 19 4.130 -25.607 -18.015 1.00 0.00 O ATOM 284 CB LEU A 19 2.994 -28.256 -18.811 1.00 0.00 C ATOM 285 CG LEU A 19 3.008 -29.761 -18.536 1.00 0.00 C ATOM 286 CD1 LEU A 19 2.822 -30.557 -19.829 1.00 0.00 C ATOM 287 CD2 LEU A 19 4.280 -30.169 -17.790 1.00 0.00 C ATOM 0 H LEU A 19 1.399 -25.644 -18.015 1.00 0.00 H new ATOM 0 HA LEU A 19 2.360 -28.040 -16.816 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.344 -28.069 -19.665 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.999 -27.951 -19.103 1.00 0.00 H new ATOM 0 HG LEU A 19 2.164 -29.998 -17.888 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.836 -31.624 -19.605 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.867 -30.294 -20.284 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.631 -30.321 -20.521 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.265 -31.243 -17.607 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.152 -29.915 -18.392 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.330 -29.639 -16.839 1.00 0.00 H new ATOM 299 N SER A 20 3.858 -26.368 -15.902 1.00 0.00 N ATOM 300 CA SER A 20 4.840 -25.462 -15.331 1.00 0.00 C ATOM 301 C SER A 20 6.252 -25.917 -15.705 1.00 0.00 C ATOM 302 O SER A 20 6.458 -26.502 -16.767 1.00 0.00 O ATOM 303 CB SER A 20 4.694 -25.379 -13.810 1.00 0.00 C ATOM 304 OG SER A 20 3.342 -25.548 -13.394 1.00 0.00 O ATOM 0 H SER A 20 3.411 -26.991 -15.230 1.00 0.00 H new ATOM 0 HA SER A 20 4.666 -24.467 -15.740 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.315 -26.144 -13.344 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.062 -24.414 -13.462 1.00 0.00 H new ATOM 0 HG SER A 20 2.740 -25.267 -14.115 1.00 0.00 H new ATOM 310 N LEU A 21 7.187 -25.632 -14.811 1.00 0.00 N ATOM 311 CA LEU A 21 8.574 -26.005 -15.034 1.00 0.00 C ATOM 312 C LEU A 21 9.445 -25.391 -13.936 1.00 0.00 C ATOM 313 O LEU A 21 10.294 -26.070 -13.360 1.00 0.00 O ATOM 314 CB LEU A 21 9.010 -25.624 -16.450 1.00 0.00 C ATOM 315 CG LEU A 21 9.611 -26.752 -17.293 1.00 0.00 C ATOM 316 CD1 LEU A 21 8.512 -27.588 -17.952 1.00 0.00 C ATOM 317 CD2 LEU A 21 10.604 -26.201 -18.317 1.00 0.00 C ATOM 0 H LEU A 21 7.012 -25.147 -13.931 1.00 0.00 H new ATOM 0 HA LEU A 21 8.693 -27.086 -14.969 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.146 -25.222 -16.979 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.743 -24.820 -16.379 1.00 0.00 H new ATOM 0 HG LEU A 21 10.167 -27.415 -16.631 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.965 -28.382 -18.545 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.878 -28.027 -17.182 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.909 -26.951 -18.599 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.016 -27.023 -18.903 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.093 -25.503 -18.980 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.412 -25.684 -17.799 1.00 0.00 H new ATOM 329 N GLN A 22 9.205 -24.114 -13.679 1.00 0.00 N ATOM 330 CA GLN A 22 9.958 -23.401 -12.661 1.00 0.00 C ATOM 331 C GLN A 22 9.602 -21.913 -12.682 1.00 0.00 C ATOM 332 O GLN A 22 9.078 -21.382 -11.704 1.00 0.00 O ATOM 333 CB GLN A 22 11.462 -23.608 -12.846 1.00 0.00 C ATOM 334 CG GLN A 22 12.196 -23.519 -11.506 1.00 0.00 C ATOM 335 CD GLN A 22 12.127 -24.849 -10.753 1.00 0.00 C ATOM 336 OE1 GLN A 22 12.736 -25.837 -11.129 1.00 0.00 O ATOM 337 NE2 GLN A 22 11.353 -24.819 -9.672 1.00 0.00 N ATOM 0 H GLN A 22 8.500 -23.554 -14.158 1.00 0.00 H new ATOM 0 HA GLN A 22 9.687 -23.805 -11.686 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.646 -24.581 -13.301 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.855 -22.856 -13.531 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.238 -23.247 -11.675 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.755 -22.729 -10.898 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.871 -23.958 -9.413 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.241 -25.657 -9.101 1.00 0.00 H new ATOM 346 N GLU A 23 9.901 -21.282 -13.808 1.00 0.00 N ATOM 347 CA GLU A 23 9.620 -19.866 -13.970 1.00 0.00 C ATOM 348 C GLU A 23 8.809 -19.628 -15.246 1.00 0.00 C ATOM 349 O GLU A 23 8.529 -20.565 -15.991 1.00 0.00 O ATOM 350 CB GLU A 23 10.912 -19.047 -13.981 1.00 0.00 C ATOM 351 CG GLU A 23 10.980 -18.113 -12.771 1.00 0.00 C ATOM 352 CD GLU A 23 11.524 -16.740 -13.169 1.00 0.00 C ATOM 353 OE1 GLU A 23 12.229 -16.622 -14.182 1.00 0.00 O ATOM 354 OE2 GLU A 23 11.189 -15.773 -12.384 1.00 0.00 O ATOM 0 H GLU A 23 10.335 -21.726 -14.617 1.00 0.00 H new ATOM 0 HA GLU A 23 9.026 -19.534 -13.118 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.772 -19.717 -13.976 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.969 -18.463 -14.899 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.987 -18.003 -12.336 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.617 -18.552 -12.003 1.00 0.00 H new ATOM 362 N VAL A 24 8.456 -18.369 -15.458 1.00 0.00 N ATOM 363 CA VAL A 24 7.683 -17.996 -16.631 1.00 0.00 C ATOM 364 C VAL A 24 8.156 -16.631 -17.135 1.00 0.00 C ATOM 365 O VAL A 24 8.797 -15.881 -16.400 1.00 0.00 O ATOM 366 CB VAL A 24 6.189 -18.028 -16.305 1.00 0.00 C ATOM 367 CG1 VAL A 24 5.790 -19.371 -15.690 1.00 0.00 C ATOM 368 CG2 VAL A 24 5.804 -16.867 -15.385 1.00 0.00 C ATOM 0 H VAL A 24 8.691 -17.594 -14.838 1.00 0.00 H new ATOM 0 HA VAL A 24 7.841 -18.713 -17.437 1.00 0.00 H new ATOM 0 HB VAL A 24 5.640 -17.912 -17.239 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.723 -19.367 -15.468 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.011 -20.173 -16.394 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.352 -19.531 -14.770 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.737 -16.913 -15.169 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.366 -16.939 -14.454 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.034 -15.922 -15.876 1.00 0.00 H new ATOM 378 N HIS A 25 7.823 -16.350 -18.386 1.00 0.00 N ATOM 379 CA HIS A 25 8.205 -15.088 -18.997 1.00 0.00 C ATOM 380 C HIS A 25 7.063 -14.577 -19.877 1.00 0.00 C ATOM 381 O HIS A 25 6.725 -15.197 -20.884 1.00 0.00 O ATOM 382 CB HIS A 25 9.523 -15.232 -19.761 1.00 0.00 C ATOM 383 CG HIS A 25 10.752 -15.155 -18.886 1.00 0.00 C ATOM 384 ND1 HIS A 25 11.713 -16.149 -18.854 1.00 0.00 N ATOM 385 CD2 HIS A 25 11.165 -14.191 -18.013 1.00 0.00 C ATOM 386 CE1 HIS A 25 12.658 -15.791 -17.997 1.00 0.00 C ATOM 387 NE2 HIS A 25 12.316 -14.577 -17.476 1.00 0.00 N ATOM 0 H HIS A 25 7.293 -16.975 -18.993 1.00 0.00 H new ATOM 0 HA HIS A 25 8.381 -14.343 -18.221 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.524 -16.186 -20.287 1.00 0.00 H new ATOM 0 HB3 HIS A 25 9.579 -14.450 -20.518 1.00 0.00 H new ATOM 0 HD2 HIS A 25 10.644 -13.270 -17.796 1.00 0.00 H new ATOM 0 HE1 HIS A 25 13.543 -16.360 -17.754 1.00 0.00 H new ATOM 0 HE2 HIS A 25 12.856 -14.053 -16.787 1.00 0.00 H new ATOM 395 N VAL A 26 6.500 -13.450 -19.465 1.00 0.00 N ATOM 396 CA VAL A 26 5.403 -12.848 -20.203 1.00 0.00 C ATOM 397 C VAL A 26 5.907 -11.600 -20.929 1.00 0.00 C ATOM 398 O VAL A 26 5.711 -10.481 -20.457 1.00 0.00 O ATOM 399 CB VAL A 26 4.233 -12.560 -19.260 1.00 0.00 C ATOM 400 CG1 VAL A 26 3.344 -13.795 -19.097 1.00 0.00 C ATOM 401 CG2 VAL A 26 4.734 -12.062 -17.903 1.00 0.00 C ATOM 0 H VAL A 26 6.783 -12.938 -18.629 1.00 0.00 H new ATOM 0 HA VAL A 26 5.030 -13.536 -20.961 1.00 0.00 H new ATOM 0 HB VAL A 26 3.629 -11.769 -19.705 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.520 -13.564 -18.422 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.946 -14.088 -20.069 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.932 -14.615 -18.684 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.883 -11.864 -17.251 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.370 -12.822 -17.449 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.306 -11.145 -18.041 1.00 0.00 H new ATOM 411 N SER A 27 6.546 -11.832 -22.066 1.00 0.00 N ATOM 412 CA SER A 27 7.080 -10.740 -22.862 1.00 0.00 C ATOM 413 C SER A 27 5.969 -10.120 -23.711 1.00 0.00 C ATOM 414 O SER A 27 5.329 -10.811 -24.503 1.00 0.00 O ATOM 415 CB SER A 27 8.226 -11.218 -23.755 1.00 0.00 C ATOM 416 OG SER A 27 8.851 -12.391 -23.240 1.00 0.00 O ATOM 0 H SER A 27 6.706 -12.761 -22.455 1.00 0.00 H new ATOM 0 HA SER A 27 7.475 -9.984 -22.184 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.845 -11.420 -24.756 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.967 -10.424 -23.850 1.00 0.00 H new ATOM 0 HG SER A 27 9.228 -12.912 -23.979 1.00 0.00 H new ATOM 422 N GLY A 28 5.773 -8.824 -23.517 1.00 0.00 N ATOM 423 CA GLY A 28 4.750 -8.103 -24.256 1.00 0.00 C ATOM 424 C GLY A 28 5.357 -7.353 -25.444 1.00 0.00 C ATOM 425 O GLY A 28 6.566 -7.132 -25.490 1.00 0.00 O ATOM 0 H GLY A 28 6.305 -8.255 -22.859 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.993 -8.802 -24.611 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.248 -7.397 -23.594 1.00 0.00 H new ATOM 429 N ASP A 29 4.489 -6.984 -26.375 1.00 0.00 N ATOM 430 CA ASP A 29 4.925 -6.264 -27.559 1.00 0.00 C ATOM 431 C ASP A 29 3.812 -5.317 -28.012 1.00 0.00 C ATOM 432 O ASP A 29 3.994 -4.100 -28.023 1.00 0.00 O ATOM 433 CB ASP A 29 5.223 -7.227 -28.710 1.00 0.00 C ATOM 434 CG ASP A 29 6.709 -7.425 -29.018 1.00 0.00 C ATOM 435 OD1 ASP A 29 7.561 -7.364 -28.120 1.00 0.00 O ATOM 436 OD2 ASP A 29 6.983 -7.654 -30.258 1.00 0.00 O ATOM 0 H ASP A 29 3.487 -7.170 -26.333 1.00 0.00 H new ATOM 0 HA ASP A 29 5.831 -5.714 -27.305 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.783 -8.197 -28.476 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.727 -6.860 -29.609 1.00 0.00 H new ATOM 442 N GLY A 30 2.684 -5.910 -28.375 1.00 0.00 N ATOM 443 CA GLY A 30 1.543 -5.134 -28.828 1.00 0.00 C ATOM 444 C GLY A 30 0.404 -6.049 -29.285 1.00 0.00 C ATOM 445 O GLY A 30 0.269 -6.329 -30.475 1.00 0.00 O ATOM 0 H GLY A 30 2.536 -6.919 -28.364 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.195 -4.488 -28.022 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.844 -4.484 -29.649 1.00 0.00 H new ATOM 449 N SER A 31 -0.384 -6.488 -28.316 1.00 0.00 N ATOM 450 CA SER A 31 -1.506 -7.366 -28.603 1.00 0.00 C ATOM 451 C SER A 31 -1.054 -8.826 -28.557 1.00 0.00 C ATOM 452 O SER A 31 -1.843 -9.714 -28.238 1.00 0.00 O ATOM 453 CB SER A 31 -2.121 -7.044 -29.967 1.00 0.00 C ATOM 454 OG SER A 31 -2.127 -5.644 -30.233 1.00 0.00 O ATOM 0 H SER A 31 -0.268 -6.252 -27.330 1.00 0.00 H new ATOM 0 HA SER A 31 -2.270 -7.205 -27.842 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.561 -7.559 -30.748 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.142 -7.424 -30.003 1.00 0.00 H new ATOM 0 HG SER A 31 -1.302 -5.396 -30.701 1.00 0.00 H new ATOM 460 N HIS A 32 0.215 -9.030 -28.879 1.00 0.00 N ATOM 461 CA HIS A 32 0.782 -10.368 -28.878 1.00 0.00 C ATOM 462 C HIS A 32 1.984 -10.415 -27.933 1.00 0.00 C ATOM 463 O HIS A 32 2.918 -9.626 -28.070 1.00 0.00 O ATOM 464 CB HIS A 32 1.128 -10.812 -30.300 1.00 0.00 C ATOM 465 CG HIS A 32 2.450 -10.284 -30.804 1.00 0.00 C ATOM 466 ND1 HIS A 32 2.671 -8.943 -31.065 1.00 0.00 N ATOM 467 CD2 HIS A 32 3.617 -10.929 -31.091 1.00 0.00 C ATOM 468 CE1 HIS A 32 3.917 -8.799 -31.490 1.00 0.00 C ATOM 469 NE2 HIS A 32 4.502 -10.031 -31.507 1.00 0.00 N ATOM 0 H HIS A 32 0.867 -8.291 -29.142 1.00 0.00 H new ATOM 0 HA HIS A 32 0.044 -11.079 -28.507 1.00 0.00 H new ATOM 0 HB2 HIS A 32 1.146 -11.901 -30.335 1.00 0.00 H new ATOM 0 HB3 HIS A 32 0.337 -10.485 -30.974 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.792 -11.991 -30.996 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.387 -7.869 -31.773 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.461 -10.230 -31.792 1.00 0.00 H new ATOM 477 N PHE A 33 1.922 -11.349 -26.995 1.00 0.00 N ATOM 478 CA PHE A 33 2.994 -11.509 -26.027 1.00 0.00 C ATOM 479 C PHE A 33 3.515 -12.948 -26.019 1.00 0.00 C ATOM 480 O PHE A 33 2.738 -13.893 -26.148 1.00 0.00 O ATOM 481 CB PHE A 33 2.407 -11.184 -24.652 1.00 0.00 C ATOM 482 CG PHE A 33 1.440 -9.999 -24.652 1.00 0.00 C ATOM 483 CD1 PHE A 33 1.701 -8.908 -25.421 1.00 0.00 C ATOM 484 CD2 PHE A 33 0.319 -10.036 -23.883 1.00 0.00 C ATOM 485 CE1 PHE A 33 0.804 -7.808 -25.422 1.00 0.00 C ATOM 486 CE2 PHE A 33 -0.579 -8.936 -23.884 1.00 0.00 C ATOM 487 CZ PHE A 33 -0.318 -7.845 -24.653 1.00 0.00 C ATOM 0 H PHE A 33 1.146 -12.002 -26.885 1.00 0.00 H new ATOM 0 HA PHE A 33 3.825 -10.851 -26.280 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.887 -12.064 -24.273 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.223 -10.974 -23.961 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.591 -8.879 -26.031 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.112 -10.902 -23.272 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.012 -6.942 -26.033 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.470 -8.966 -23.274 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.001 -7.008 -24.653 1.00 0.00 H new ATOM 497 N GLN A 34 4.825 -13.068 -25.866 1.00 0.00 N ATOM 498 CA GLN A 34 5.459 -14.375 -25.840 1.00 0.00 C ATOM 499 C GLN A 34 5.500 -14.917 -24.409 1.00 0.00 C ATOM 500 O GLN A 34 6.147 -14.335 -23.540 1.00 0.00 O ATOM 501 CB GLN A 34 6.863 -14.317 -26.444 1.00 0.00 C ATOM 502 CG GLN A 34 7.612 -15.631 -26.219 1.00 0.00 C ATOM 503 CD GLN A 34 7.062 -16.738 -27.121 1.00 0.00 C ATOM 504 OE1 GLN A 34 6.246 -16.511 -27.999 1.00 0.00 O ATOM 505 NE2 GLN A 34 7.553 -17.946 -26.856 1.00 0.00 N ATOM 0 H GLN A 34 5.465 -12.281 -25.759 1.00 0.00 H new ATOM 0 HA GLN A 34 4.865 -15.056 -26.450 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.795 -14.112 -27.512 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.421 -13.495 -25.996 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.674 -15.487 -26.420 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.523 -15.930 -25.175 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.234 -18.066 -26.106 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.248 -18.751 -27.403 1.00 0.00 H new ATOM 514 N VAL A 35 4.801 -16.024 -24.209 1.00 0.00 N ATOM 515 CA VAL A 35 4.749 -16.650 -22.899 1.00 0.00 C ATOM 516 C VAL A 35 5.678 -17.865 -22.882 1.00 0.00 C ATOM 517 O VAL A 35 5.313 -18.937 -23.362 1.00 0.00 O ATOM 518 CB VAL A 35 3.303 -16.998 -22.542 1.00 0.00 C ATOM 519 CG1 VAL A 35 3.137 -17.165 -21.030 1.00 0.00 C ATOM 520 CG2 VAL A 35 2.335 -15.946 -23.087 1.00 0.00 C ATOM 0 H VAL A 35 4.266 -16.504 -24.932 1.00 0.00 H new ATOM 0 HA VAL A 35 5.102 -15.960 -22.132 1.00 0.00 H new ATOM 0 HB VAL A 35 3.062 -17.951 -23.013 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.100 -17.412 -20.803 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.786 -17.967 -20.679 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.406 -16.235 -20.529 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.314 -16.218 -22.819 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.576 -14.973 -22.659 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.424 -15.897 -24.172 1.00 0.00 H new ATOM 530 N ILE A 36 6.862 -17.658 -22.325 1.00 0.00 N ATOM 531 CA ILE A 36 7.847 -18.723 -22.240 1.00 0.00 C ATOM 532 C ILE A 36 7.744 -19.398 -20.871 1.00 0.00 C ATOM 533 O ILE A 36 7.358 -18.764 -19.890 1.00 0.00 O ATOM 534 CB ILE A 36 9.244 -18.188 -22.558 1.00 0.00 C ATOM 535 CG1 ILE A 36 9.797 -18.823 -23.836 1.00 0.00 C ATOM 536 CG2 ILE A 36 10.188 -18.378 -21.369 1.00 0.00 C ATOM 537 CD1 ILE A 36 10.958 -18.002 -24.399 1.00 0.00 C ATOM 0 H ILE A 36 7.162 -16.768 -21.928 1.00 0.00 H new ATOM 0 HA ILE A 36 7.646 -19.488 -22.990 1.00 0.00 H new ATOM 0 HB ILE A 36 9.166 -17.116 -22.739 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.133 -19.838 -23.626 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.005 -18.898 -24.581 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.174 -17.989 -21.622 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.797 -17.841 -20.505 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.266 -19.439 -21.132 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.332 -18.476 -25.307 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.612 -16.995 -24.631 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.758 -17.950 -23.661 1.00 0.00 H new ATOM 549 N ALA A 37 8.096 -20.675 -20.848 1.00 0.00 N ATOM 550 CA ALA A 37 8.049 -21.443 -19.615 1.00 0.00 C ATOM 551 C ALA A 37 9.473 -21.805 -19.189 1.00 0.00 C ATOM 552 O ALA A 37 10.080 -22.716 -19.750 1.00 0.00 O ATOM 553 CB ALA A 37 7.169 -22.678 -19.817 1.00 0.00 C ATOM 0 H ALA A 37 8.415 -21.198 -21.664 1.00 0.00 H new ATOM 0 HA ALA A 37 7.605 -20.854 -18.812 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.133 -23.254 -18.893 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.161 -22.366 -20.089 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.585 -23.295 -20.613 1.00 0.00 H new ATOM 559 N VAL A 38 9.965 -21.072 -18.201 1.00 0.00 N ATOM 560 CA VAL A 38 11.307 -21.304 -17.694 1.00 0.00 C ATOM 561 C VAL A 38 11.288 -22.506 -16.747 1.00 0.00 C ATOM 562 O VAL A 38 10.287 -22.758 -16.078 1.00 0.00 O ATOM 563 CB VAL A 38 11.844 -20.032 -17.035 1.00 0.00 C ATOM 564 CG1 VAL A 38 13.198 -20.290 -16.370 1.00 0.00 C ATOM 565 CG2 VAL A 38 11.938 -18.888 -18.046 1.00 0.00 C ATOM 0 H VAL A 38 9.459 -20.317 -17.738 1.00 0.00 H new ATOM 0 HA VAL A 38 11.988 -21.544 -18.510 1.00 0.00 H new ATOM 0 HB VAL A 38 11.140 -19.734 -16.258 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.558 -19.370 -15.909 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.087 -21.060 -15.606 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.914 -20.624 -17.121 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.322 -17.996 -17.551 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.610 -19.172 -18.856 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.948 -18.679 -18.452 1.00 0.00 H new ATOM 575 N GLY A 39 12.407 -23.216 -16.721 1.00 0.00 N ATOM 576 CA GLY A 39 12.531 -24.385 -15.868 1.00 0.00 C ATOM 577 C GLY A 39 13.684 -25.279 -16.328 1.00 0.00 C ATOM 578 O GLY A 39 14.838 -24.853 -16.340 1.00 0.00 O ATOM 0 H GLY A 39 13.235 -23.004 -17.277 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.698 -24.072 -14.837 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.599 -24.951 -15.882 1.00 0.00 H new ATOM 582 N GLU A 40 13.332 -26.503 -16.695 1.00 0.00 N ATOM 583 CA GLU A 40 14.323 -27.460 -17.155 1.00 0.00 C ATOM 584 C GLU A 40 13.636 -28.716 -17.696 1.00 0.00 C ATOM 585 O GLU A 40 14.091 -29.303 -18.677 1.00 0.00 O ATOM 586 CB GLU A 40 15.306 -27.812 -16.036 1.00 0.00 C ATOM 587 CG GLU A 40 16.746 -27.513 -16.457 1.00 0.00 C ATOM 588 CD GLU A 40 17.744 -28.169 -15.501 1.00 0.00 C ATOM 589 OE1 GLU A 40 17.982 -29.382 -15.589 1.00 0.00 O ATOM 590 OE2 GLU A 40 18.282 -27.370 -14.643 1.00 0.00 O ATOM 0 H GLU A 40 12.374 -26.853 -16.683 1.00 0.00 H new ATOM 0 HA GLU A 40 14.893 -27.003 -17.964 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.060 -27.244 -15.139 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.210 -28.867 -15.781 1.00 0.00 H new ATOM 0 HG2 GLU A 40 16.915 -27.876 -17.471 1.00 0.00 H new ATOM 0 HG3 GLU A 40 16.907 -26.435 -16.474 1.00 0.00 H new ATOM 598 N LEU A 41 12.552 -29.091 -17.034 1.00 0.00 N ATOM 599 CA LEU A 41 11.798 -30.266 -17.436 1.00 0.00 C ATOM 600 C LEU A 41 11.792 -30.364 -18.963 1.00 0.00 C ATOM 601 O LEU A 41 12.300 -31.331 -19.529 1.00 0.00 O ATOM 602 CB LEU A 41 10.400 -30.244 -16.816 1.00 0.00 C ATOM 603 CG LEU A 41 9.469 -31.390 -17.219 1.00 0.00 C ATOM 604 CD1 LEU A 41 9.899 -32.702 -16.561 1.00 0.00 C ATOM 605 CD2 LEU A 41 8.010 -31.045 -16.912 1.00 0.00 C ATOM 0 H LEU A 41 12.177 -28.602 -16.221 1.00 0.00 H new ATOM 0 HA LEU A 41 12.274 -31.171 -17.059 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.505 -30.252 -15.731 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.921 -29.302 -17.083 1.00 0.00 H new ATOM 0 HG LEU A 41 9.546 -31.530 -18.297 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.221 -33.500 -16.864 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.914 -32.950 -16.873 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.869 -32.592 -15.477 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.370 -31.876 -17.208 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.896 -30.862 -15.843 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.723 -30.151 -17.466 1.00 0.00 H new ATOM 617 N PHE A 42 11.211 -29.350 -19.587 1.00 0.00 N ATOM 618 CA PHE A 42 11.132 -29.310 -21.038 1.00 0.00 C ATOM 619 C PHE A 42 12.402 -28.707 -21.639 1.00 0.00 C ATOM 620 O PHE A 42 12.333 -27.907 -22.572 1.00 0.00 O ATOM 621 CB PHE A 42 9.940 -28.421 -21.396 1.00 0.00 C ATOM 622 CG PHE A 42 8.579 -29.070 -21.138 1.00 0.00 C ATOM 623 CD1 PHE A 42 8.505 -30.251 -20.466 1.00 0.00 C ATOM 624 CD2 PHE A 42 7.442 -28.467 -21.579 1.00 0.00 C ATOM 625 CE1 PHE A 42 7.242 -30.854 -20.227 1.00 0.00 C ATOM 626 CE2 PHE A 42 6.179 -29.070 -21.340 1.00 0.00 C ATOM 627 CZ PHE A 42 6.106 -30.250 -20.668 1.00 0.00 C ATOM 0 H PHE A 42 10.790 -28.550 -19.115 1.00 0.00 H new ATOM 0 HA PHE A 42 11.020 -30.320 -21.433 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.004 -27.496 -20.822 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.007 -28.148 -22.449 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.407 -30.730 -20.114 1.00 0.00 H new ATOM 0 HD2 PHE A 42 7.500 -27.529 -22.111 1.00 0.00 H new ATOM 0 HE1 PHE A 42 7.183 -31.792 -19.695 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.277 -28.592 -21.692 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.145 -30.708 -20.484 1.00 0.00 H new ATOM 637 N ASP A 43 13.533 -29.112 -21.082 1.00 0.00 N ATOM 638 CA ASP A 43 14.818 -28.622 -21.552 1.00 0.00 C ATOM 639 C ASP A 43 15.420 -29.635 -22.527 1.00 0.00 C ATOM 640 O ASP A 43 16.449 -30.244 -22.239 1.00 0.00 O ATOM 641 CB ASP A 43 15.798 -28.443 -20.390 1.00 0.00 C ATOM 642 CG ASP A 43 17.189 -27.946 -20.789 1.00 0.00 C ATOM 643 OD1 ASP A 43 18.027 -27.637 -19.929 1.00 0.00 O ATOM 644 OD2 ASP A 43 17.401 -27.881 -22.059 1.00 0.00 O ATOM 0 H ASP A 43 13.587 -29.775 -20.309 1.00 0.00 H new ATOM 0 HA ASP A 43 14.655 -27.660 -22.037 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.368 -27.740 -19.677 1.00 0.00 H new ATOM 0 HB3 ASP A 43 15.904 -29.397 -19.873 1.00 0.00 H new ATOM 650 N GLY A 44 14.753 -29.784 -23.662 1.00 0.00 N ATOM 651 CA GLY A 44 15.209 -30.713 -24.682 1.00 0.00 C ATOM 652 C GLY A 44 14.026 -31.347 -25.416 1.00 0.00 C ATOM 653 O GLY A 44 14.195 -31.933 -26.484 1.00 0.00 O ATOM 0 H GLY A 44 13.900 -29.277 -23.898 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.846 -30.191 -25.396 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.817 -31.493 -24.223 1.00 0.00 H new ATOM 657 N MET A 45 12.854 -31.206 -24.815 1.00 0.00 N ATOM 658 CA MET A 45 11.642 -31.757 -25.398 1.00 0.00 C ATOM 659 C MET A 45 11.435 -31.238 -26.822 1.00 0.00 C ATOM 660 O MET A 45 11.776 -30.097 -27.127 1.00 0.00 O ATOM 661 CB MET A 45 10.439 -31.373 -24.534 1.00 0.00 C ATOM 662 CG MET A 45 9.159 -32.032 -25.053 1.00 0.00 C ATOM 663 SD MET A 45 8.531 -33.184 -23.843 1.00 0.00 S ATOM 664 CE MET A 45 7.433 -32.110 -22.934 1.00 0.00 C ATOM 0 H MET A 45 12.718 -30.718 -23.930 1.00 0.00 H new ATOM 0 HA MET A 45 11.740 -32.842 -25.437 1.00 0.00 H new ATOM 0 HB2 MET A 45 10.616 -31.676 -23.502 1.00 0.00 H new ATOM 0 HB3 MET A 45 10.319 -30.290 -24.532 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.409 -31.270 -25.266 1.00 0.00 H new ATOM 0 HG3 MET A 45 9.361 -32.551 -25.990 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.232 -32.541 -21.953 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.899 -31.132 -22.812 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.497 -32.000 -23.481 1.00 0.00 H new ATOM 674 N SER A 46 10.877 -32.103 -27.657 1.00 0.00 N ATOM 675 CA SER A 46 10.620 -31.746 -29.042 1.00 0.00 C ATOM 676 C SER A 46 9.560 -30.645 -29.111 1.00 0.00 C ATOM 677 O SER A 46 8.431 -30.836 -28.660 1.00 0.00 O ATOM 678 CB SER A 46 10.172 -32.965 -29.851 1.00 0.00 C ATOM 679 OG SER A 46 10.400 -32.793 -31.247 1.00 0.00 O ATOM 0 H SER A 46 10.596 -33.050 -27.401 1.00 0.00 H new ATOM 0 HA SER A 46 11.548 -31.376 -29.477 1.00 0.00 H new ATOM 0 HB2 SER A 46 10.708 -33.848 -29.502 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.111 -33.146 -29.677 1.00 0.00 H new ATOM 0 HG SER A 46 10.102 -33.593 -31.728 1.00 0.00 H new ATOM 685 N ARG A 47 9.960 -29.517 -29.679 1.00 0.00 N ATOM 686 CA ARG A 47 9.059 -28.385 -29.812 1.00 0.00 C ATOM 687 C ARG A 47 7.648 -28.868 -30.157 1.00 0.00 C ATOM 688 O ARG A 47 6.662 -28.252 -29.756 1.00 0.00 O ATOM 689 CB ARG A 47 9.540 -27.423 -30.899 1.00 0.00 C ATOM 690 CG ARG A 47 8.749 -26.114 -30.863 1.00 0.00 C ATOM 691 CD ARG A 47 9.173 -25.185 -32.002 1.00 0.00 C ATOM 692 NE ARG A 47 8.776 -25.766 -33.304 1.00 0.00 N ATOM 693 CZ ARG A 47 8.745 -25.074 -34.463 1.00 0.00 C ATOM 694 NH1 ARG A 47 9.088 -23.769 -34.492 1.00 0.00 N ATOM 695 NH2 ARG A 47 8.374 -25.694 -35.568 1.00 0.00 N ATOM 0 H ARG A 47 10.896 -29.363 -30.053 1.00 0.00 H new ATOM 0 HA ARG A 47 9.044 -27.859 -28.857 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.601 -27.215 -30.761 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.431 -27.891 -31.877 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.683 -26.327 -30.941 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.906 -25.617 -29.906 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.710 -24.206 -31.875 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.252 -25.033 -31.976 1.00 0.00 H new ATOM 0 HE ARG A 47 8.509 -26.750 -33.327 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.374 -23.298 -33.634 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.062 -23.254 -35.372 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.116 -26.680 -35.537 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.345 -25.186 -36.452 1.00 0.00 H new ATOM 708 N VAL A 48 7.597 -29.966 -30.897 1.00 0.00 N ATOM 709 CA VAL A 48 6.324 -30.538 -31.300 1.00 0.00 C ATOM 710 C VAL A 48 5.648 -31.175 -30.084 1.00 0.00 C ATOM 711 O VAL A 48 4.496 -30.870 -29.779 1.00 0.00 O ATOM 712 CB VAL A 48 6.534 -31.524 -32.451 1.00 0.00 C ATOM 713 CG1 VAL A 48 7.306 -32.759 -31.981 1.00 0.00 C ATOM 714 CG2 VAL A 48 5.199 -31.920 -33.085 1.00 0.00 C ATOM 0 H VAL A 48 8.417 -30.474 -31.228 1.00 0.00 H new ATOM 0 HA VAL A 48 5.657 -29.760 -31.673 1.00 0.00 H new ATOM 0 HB VAL A 48 7.132 -31.026 -33.214 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.442 -33.444 -32.818 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.281 -32.455 -31.599 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.746 -33.259 -31.191 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.377 -32.621 -33.900 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.565 -32.390 -32.334 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.703 -31.031 -33.473 1.00 0.00 H new ATOM 724 N LYS A 49 6.393 -32.048 -29.422 1.00 0.00 N ATOM 725 CA LYS A 49 5.880 -32.730 -28.246 1.00 0.00 C ATOM 726 C LYS A 49 5.644 -31.708 -27.132 1.00 0.00 C ATOM 727 O LYS A 49 4.699 -31.840 -26.355 1.00 0.00 O ATOM 728 CB LYS A 49 6.811 -33.875 -27.843 1.00 0.00 C ATOM 729 CG LYS A 49 6.016 -35.144 -27.531 1.00 0.00 C ATOM 730 CD LYS A 49 5.921 -35.376 -26.022 1.00 0.00 C ATOM 731 CE LYS A 49 5.107 -36.633 -25.710 1.00 0.00 C ATOM 732 NZ LYS A 49 3.658 -36.341 -25.769 1.00 0.00 N ATOM 0 H LYS A 49 7.348 -32.299 -29.678 1.00 0.00 H new ATOM 0 HA LYS A 49 4.918 -33.193 -28.463 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.519 -34.074 -28.648 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.395 -33.584 -26.970 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.015 -35.063 -27.954 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.493 -36.002 -28.005 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.922 -35.473 -25.602 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.458 -34.511 -25.546 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.355 -37.420 -26.423 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.369 -37.006 -24.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.121 -37.205 -25.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.423 -35.606 -25.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.410 -36.006 -26.722 1.00 0.00 H new ATOM 745 N LYS A 50 6.518 -30.713 -27.090 1.00 0.00 N ATOM 746 CA LYS A 50 6.415 -29.670 -26.084 1.00 0.00 C ATOM 747 C LYS A 50 5.149 -28.848 -26.334 1.00 0.00 C ATOM 748 O LYS A 50 4.159 -28.994 -25.620 1.00 0.00 O ATOM 749 CB LYS A 50 7.695 -28.832 -26.048 1.00 0.00 C ATOM 750 CG LYS A 50 7.786 -28.025 -24.752 1.00 0.00 C ATOM 751 CD LYS A 50 9.120 -27.280 -24.662 1.00 0.00 C ATOM 752 CE LYS A 50 9.422 -26.538 -25.966 1.00 0.00 C ATOM 753 NZ LYS A 50 10.366 -27.317 -26.798 1.00 0.00 N ATOM 0 H LYS A 50 7.300 -30.607 -27.736 1.00 0.00 H new ATOM 0 HA LYS A 50 6.320 -30.108 -25.090 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.564 -29.485 -26.136 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.716 -28.157 -26.903 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.963 -27.312 -24.705 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.679 -28.692 -23.896 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.090 -26.571 -23.835 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.922 -27.987 -24.447 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.497 -26.368 -26.517 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.846 -25.559 -25.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.534 -26.816 -27.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.266 -27.429 -26.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.962 -28.254 -26.996 1.00 0.00 H new ATOM 766 N GLN A 51 5.223 -28.002 -27.351 1.00 0.00 N ATOM 767 CA GLN A 51 4.096 -27.157 -27.705 1.00 0.00 C ATOM 768 C GLN A 51 2.801 -27.972 -27.708 1.00 0.00 C ATOM 769 O GLN A 51 1.738 -27.458 -27.364 1.00 0.00 O ATOM 770 CB GLN A 51 4.321 -26.480 -29.059 1.00 0.00 C ATOM 771 CG GLN A 51 5.268 -25.286 -28.925 1.00 0.00 C ATOM 772 CD GLN A 51 4.745 -24.081 -29.708 1.00 0.00 C ATOM 773 OE1 GLN A 51 3.791 -23.400 -29.080 1.00 0.00 O flip ATOM 774 NE2 GLN A 51 5.179 -23.789 -30.811 1.00 0.00 N flip ATOM 0 H GLN A 51 6.047 -27.884 -27.941 1.00 0.00 H new ATOM 0 HA GLN A 51 4.006 -26.372 -26.954 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.735 -27.200 -29.765 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.366 -26.147 -29.466 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.378 -25.021 -27.873 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.258 -25.560 -29.290 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.913 -24.355 -31.237 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.808 -22.979 -31.307 1.00 0.00 H new ATOM 783 N GLN A 52 2.934 -29.231 -28.100 1.00 0.00 N ATOM 784 CA GLN A 52 1.788 -30.123 -28.153 1.00 0.00 C ATOM 785 C GLN A 52 1.204 -30.320 -26.752 1.00 0.00 C ATOM 786 O GLN A 52 0.157 -29.762 -26.428 1.00 0.00 O ATOM 787 CB GLN A 52 2.166 -31.465 -28.783 1.00 0.00 C ATOM 788 CG GLN A 52 1.058 -32.499 -28.575 1.00 0.00 C ATOM 789 CD GLN A 52 1.356 -33.785 -29.349 1.00 0.00 C ATOM 790 OE1 GLN A 52 1.038 -33.925 -30.519 1.00 0.00 O ATOM 791 NE2 GLN A 52 1.984 -34.714 -28.633 1.00 0.00 N ATOM 0 H GLN A 52 3.818 -29.654 -28.384 1.00 0.00 H new ATOM 0 HA GLN A 52 1.025 -29.666 -28.783 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.349 -31.332 -29.849 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.095 -31.828 -28.343 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.960 -32.724 -27.513 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.104 -32.086 -28.903 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.221 -34.532 -27.658 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.228 -35.608 -29.059 1.00 0.00 H new ATOM 800 N THR A 53 1.907 -31.116 -25.959 1.00 0.00 N ATOM 801 CA THR A 53 1.471 -31.393 -24.601 1.00 0.00 C ATOM 802 C THR A 53 1.202 -30.088 -23.850 1.00 0.00 C ATOM 803 O THR A 53 0.498 -30.082 -22.842 1.00 0.00 O ATOM 804 CB THR A 53 2.533 -32.270 -23.934 1.00 0.00 C ATOM 805 OG1 THR A 53 2.178 -33.596 -24.316 1.00 0.00 O ATOM 806 CG2 THR A 53 2.413 -32.277 -22.409 1.00 0.00 C ATOM 0 H THR A 53 2.775 -31.578 -26.231 1.00 0.00 H new ATOM 0 HA THR A 53 0.526 -31.937 -24.592 1.00 0.00 H new ATOM 0 HB THR A 53 3.525 -31.918 -24.218 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.713 -34.238 -23.804 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.190 -32.914 -21.986 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.530 -31.262 -22.030 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.434 -32.660 -22.123 1.00 0.00 H new ATOM 814 N VAL A 54 1.777 -29.014 -24.371 1.00 0.00 N ATOM 815 CA VAL A 54 1.608 -27.705 -23.762 1.00 0.00 C ATOM 816 C VAL A 54 0.309 -27.075 -24.270 1.00 0.00 C ATOM 817 O VAL A 54 -0.326 -26.296 -23.561 1.00 0.00 O ATOM 818 CB VAL A 54 2.839 -26.838 -24.034 1.00 0.00 C ATOM 819 CG1 VAL A 54 2.659 -25.434 -23.455 1.00 0.00 C ATOM 820 CG2 VAL A 54 4.106 -27.499 -23.487 1.00 0.00 C ATOM 0 H VAL A 54 2.360 -29.023 -25.208 1.00 0.00 H new ATOM 0 HA VAL A 54 1.524 -27.796 -22.679 1.00 0.00 H new ATOM 0 HB VAL A 54 2.950 -26.743 -25.114 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.548 -24.838 -23.662 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.790 -24.960 -23.912 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.510 -25.501 -22.377 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.967 -26.863 -23.693 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.008 -27.639 -22.410 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.247 -28.467 -23.967 1.00 0.00 H new ATOM 830 N TYR A 55 -0.047 -27.436 -25.494 1.00 0.00 N ATOM 831 CA TYR A 55 -1.258 -26.916 -26.105 1.00 0.00 C ATOM 832 C TYR A 55 -2.476 -27.751 -25.706 1.00 0.00 C ATOM 833 O TYR A 55 -3.589 -27.234 -25.627 1.00 0.00 O ATOM 834 CB TYR A 55 -1.050 -27.029 -27.617 1.00 0.00 C ATOM 835 CG TYR A 55 -2.195 -26.445 -28.448 1.00 0.00 C ATOM 836 CD1 TYR A 55 -2.772 -25.246 -28.082 1.00 0.00 C ATOM 837 CD2 TYR A 55 -2.650 -27.118 -29.564 1.00 0.00 C ATOM 838 CE1 TYR A 55 -3.849 -24.697 -28.864 1.00 0.00 C ATOM 839 CE2 TYR A 55 -3.727 -26.569 -30.346 1.00 0.00 C ATOM 840 CZ TYR A 55 -4.273 -25.386 -29.957 1.00 0.00 C ATOM 841 OH TYR A 55 -5.291 -24.867 -30.696 1.00 0.00 O ATOM 0 H TYR A 55 0.482 -28.083 -26.079 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.440 -25.890 -25.783 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.124 -26.520 -27.885 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.924 -28.080 -27.879 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.416 -24.719 -27.209 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.198 -28.056 -29.850 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.310 -23.760 -28.589 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.093 -27.085 -31.221 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.488 -25.465 -31.447 1.00 0.00 H new ATOM 851 N GLY A 56 -2.224 -29.030 -25.466 1.00 0.00 N ATOM 852 CA GLY A 56 -3.286 -29.942 -25.077 1.00 0.00 C ATOM 853 C GLY A 56 -4.189 -29.311 -24.016 1.00 0.00 C ATOM 854 O GLY A 56 -5.407 -29.259 -24.183 1.00 0.00 O ATOM 0 H GLY A 56 -1.300 -29.456 -25.534 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.879 -30.210 -25.952 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.854 -30.865 -24.690 1.00 0.00 H new ATOM 858 N PRO A 57 -3.541 -28.836 -22.918 1.00 0.00 N ATOM 859 CA PRO A 57 -4.273 -28.210 -21.830 1.00 0.00 C ATOM 860 C PRO A 57 -4.729 -26.801 -22.214 1.00 0.00 C ATOM 861 O PRO A 57 -5.918 -26.491 -22.148 1.00 0.00 O ATOM 862 CB PRO A 57 -3.312 -28.223 -20.652 1.00 0.00 C ATOM 863 CG PRO A 57 -1.928 -28.428 -21.245 1.00 0.00 C ATOM 864 CD PRO A 57 -2.101 -28.880 -22.686 1.00 0.00 C ATOM 0 HA PRO A 57 -5.193 -28.739 -21.583 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.364 -27.287 -20.096 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.560 -29.023 -19.954 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.353 -27.503 -21.201 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.375 -29.174 -20.675 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.569 -28.223 -23.374 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.706 -29.885 -22.836 1.00 0.00 H new ATOM 872 N LEU A 58 -3.761 -25.987 -22.606 1.00 0.00 N ATOM 873 CA LEU A 58 -4.048 -24.618 -23.000 1.00 0.00 C ATOM 874 C LEU A 58 -4.468 -24.593 -24.471 1.00 0.00 C ATOM 875 O LEU A 58 -4.083 -23.693 -25.215 1.00 0.00 O ATOM 876 CB LEU A 58 -2.859 -23.709 -22.685 1.00 0.00 C ATOM 877 CG LEU A 58 -1.670 -23.803 -23.643 1.00 0.00 C ATOM 878 CD1 LEU A 58 -1.735 -22.705 -24.707 1.00 0.00 C ATOM 879 CD2 LEU A 58 -0.345 -23.781 -22.877 1.00 0.00 C ATOM 0 H LEU A 58 -2.777 -26.249 -22.659 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.883 -24.223 -22.422 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.209 -22.677 -22.673 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.508 -23.938 -21.679 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.725 -24.759 -24.163 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.878 -22.794 -25.375 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.655 -22.809 -25.281 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.718 -21.728 -24.223 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.484 -23.849 -23.582 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.266 -22.852 -22.313 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.308 -24.627 -22.190 1.00 0.00 H new ATOM 891 N MET A 59 -5.252 -25.593 -24.847 1.00 0.00 N ATOM 892 CA MET A 59 -5.729 -25.697 -26.215 1.00 0.00 C ATOM 893 C MET A 59 -6.999 -24.869 -26.418 1.00 0.00 C ATOM 894 O MET A 59 -7.086 -24.078 -27.356 1.00 0.00 O ATOM 895 CB MET A 59 -6.016 -27.163 -26.546 1.00 0.00 C ATOM 896 CG MET A 59 -5.110 -27.658 -27.675 1.00 0.00 C ATOM 897 SD MET A 59 -6.097 -28.357 -28.988 1.00 0.00 S ATOM 898 CE MET A 59 -7.169 -26.973 -29.340 1.00 0.00 C ATOM 0 H MET A 59 -5.569 -26.339 -24.227 1.00 0.00 H new ATOM 0 HA MET A 59 -4.956 -25.310 -26.879 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.864 -27.776 -25.658 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.060 -27.276 -26.837 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.510 -26.833 -28.059 1.00 0.00 H new ATOM 0 HG3 MET A 59 -4.415 -28.406 -27.293 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.151 -27.152 -28.902 1.00 0.00 H new ATOM 0 HE2 MET A 59 -6.742 -26.065 -28.915 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.269 -26.856 -30.419 1.00 0.00 H new ATOM 908 N GLU A 60 -7.954 -25.081 -25.524 1.00 0.00 N ATOM 909 CA GLU A 60 -9.216 -24.364 -25.593 1.00 0.00 C ATOM 910 C GLU A 60 -9.026 -22.911 -25.152 1.00 0.00 C ATOM 911 O GLU A 60 -9.402 -21.986 -25.870 1.00 0.00 O ATOM 912 CB GLU A 60 -10.287 -25.058 -24.749 1.00 0.00 C ATOM 913 CG GLU A 60 -9.920 -25.028 -23.264 1.00 0.00 C ATOM 914 CD GLU A 60 -10.815 -25.973 -22.460 1.00 0.00 C ATOM 915 OE1 GLU A 60 -11.390 -26.914 -23.025 1.00 0.00 O ATOM 916 OE2 GLU A 60 -10.902 -25.701 -21.201 1.00 0.00 O ATOM 0 H GLU A 60 -7.879 -25.739 -24.748 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.557 -24.367 -26.628 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.248 -24.567 -24.900 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.402 -26.091 -25.078 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.876 -25.315 -23.138 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.020 -24.012 -22.881 1.00 0.00 H new ATOM 924 N TYR A 61 -8.443 -22.756 -23.972 1.00 0.00 N ATOM 925 CA TYR A 61 -8.199 -21.431 -23.427 1.00 0.00 C ATOM 926 C TYR A 61 -7.643 -20.491 -24.498 1.00 0.00 C ATOM 927 O TYR A 61 -8.071 -19.343 -24.604 1.00 0.00 O ATOM 928 CB TYR A 61 -7.148 -21.614 -22.331 1.00 0.00 C ATOM 929 CG TYR A 61 -7.434 -20.820 -21.055 1.00 0.00 C ATOM 930 CD1 TYR A 61 -7.173 -19.465 -21.012 1.00 0.00 C ATOM 931 CD2 TYR A 61 -7.955 -21.458 -19.947 1.00 0.00 C ATOM 932 CE1 TYR A 61 -7.443 -18.718 -19.811 1.00 0.00 C ATOM 933 CE2 TYR A 61 -8.225 -20.710 -18.746 1.00 0.00 C ATOM 934 CZ TYR A 61 -7.955 -19.377 -18.737 1.00 0.00 C ATOM 935 OH TYR A 61 -8.210 -18.671 -17.603 1.00 0.00 O ATOM 0 H TYR A 61 -8.133 -23.525 -23.379 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.124 -20.994 -23.051 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.080 -22.673 -22.080 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.175 -21.316 -22.722 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.766 -18.965 -21.879 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.160 -22.518 -19.981 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.243 -17.658 -19.764 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.633 -21.197 -17.872 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.574 -19.271 -16.919 1.00 0.00 H new ATOM 945 N ILE A 62 -6.698 -21.013 -25.266 1.00 0.00 N ATOM 946 CA ILE A 62 -6.079 -20.235 -26.326 1.00 0.00 C ATOM 947 C ILE A 62 -7.074 -20.067 -27.476 1.00 0.00 C ATOM 948 O ILE A 62 -7.266 -18.961 -27.979 1.00 0.00 O ATOM 949 CB ILE A 62 -4.751 -20.866 -26.748 1.00 0.00 C ATOM 950 CG1 ILE A 62 -3.580 -20.237 -25.990 1.00 0.00 C ATOM 951 CG2 ILE A 62 -4.562 -20.783 -28.264 1.00 0.00 C ATOM 952 CD1 ILE A 62 -3.914 -20.070 -24.506 1.00 0.00 C ATOM 0 H ILE A 62 -6.346 -21.966 -25.175 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.831 -19.235 -25.970 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.776 -21.923 -26.484 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.694 -20.862 -26.099 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.341 -19.266 -26.424 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.610 -21.239 -28.537 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.374 -21.313 -28.761 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.567 -19.738 -28.575 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.065 -19.621 -23.990 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.786 -19.425 -24.400 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.129 -21.045 -24.069 1.00 0.00 H new ATOM 964 N ALA A 63 -7.679 -21.181 -27.860 1.00 0.00 N ATOM 965 CA ALA A 63 -8.649 -21.171 -28.942 1.00 0.00 C ATOM 966 C ALA A 63 -9.522 -19.919 -28.827 1.00 0.00 C ATOM 967 O ALA A 63 -9.818 -19.270 -29.829 1.00 0.00 O ATOM 968 CB ALA A 63 -9.471 -22.461 -28.904 1.00 0.00 C ATOM 0 H ALA A 63 -7.516 -22.097 -27.441 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.146 -21.134 -29.908 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.198 -22.453 -29.716 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.808 -23.318 -29.019 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.993 -22.532 -27.950 1.00 0.00 H new ATOM 974 N ASP A 64 -9.910 -19.618 -27.597 1.00 0.00 N ATOM 975 CA ASP A 64 -10.743 -18.457 -27.338 1.00 0.00 C ATOM 976 C ASP A 64 -9.856 -17.216 -27.214 1.00 0.00 C ATOM 977 O ASP A 64 -10.240 -16.129 -27.643 1.00 0.00 O ATOM 978 CB ASP A 64 -11.519 -18.616 -26.029 1.00 0.00 C ATOM 979 CG ASP A 64 -12.970 -19.075 -26.189 1.00 0.00 C ATOM 980 OD1 ASP A 64 -13.487 -19.179 -27.312 1.00 0.00 O ATOM 981 OD2 ASP A 64 -13.584 -19.336 -25.085 1.00 0.00 O ATOM 0 H ASP A 64 -9.663 -20.159 -26.768 1.00 0.00 H new ATOM 0 HA ASP A 64 -11.447 -18.356 -28.164 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.994 -19.333 -25.398 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.512 -17.662 -25.502 1.00 0.00 H new ATOM 987 N ASN A 65 -8.687 -17.420 -26.624 1.00 0.00 N ATOM 988 CA ASN A 65 -7.743 -16.332 -26.438 1.00 0.00 C ATOM 989 C ASN A 65 -7.403 -15.719 -27.798 1.00 0.00 C ATOM 990 O ASN A 65 -6.882 -14.607 -27.869 1.00 0.00 O ATOM 991 CB ASN A 65 -6.442 -16.833 -25.807 1.00 0.00 C ATOM 992 CG ASN A 65 -5.695 -15.692 -25.112 1.00 0.00 C ATOM 993 OD1 ASN A 65 -5.271 -14.741 -25.939 1.00 0.00 O flip ATOM 994 ND2 ASN A 65 -5.516 -15.678 -23.906 1.00 0.00 N flip ATOM 0 H ASN A 65 -8.373 -18.323 -26.269 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.203 -15.596 -25.779 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.663 -17.620 -25.086 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.807 -17.273 -26.576 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.869 -16.442 -23.329 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.013 -14.903 -23.474 1.00 0.00 H new ATOM 1001 N ARG A 66 -7.712 -16.471 -28.844 1.00 0.00 N ATOM 1002 CA ARG A 66 -7.445 -16.016 -30.198 1.00 0.00 C ATOM 1003 C ARG A 66 -7.579 -14.494 -30.282 1.00 0.00 C ATOM 1004 O ARG A 66 -6.836 -13.842 -31.014 1.00 0.00 O ATOM 1005 CB ARG A 66 -8.409 -16.662 -31.196 1.00 0.00 C ATOM 1006 CG ARG A 66 -8.006 -16.337 -32.636 1.00 0.00 C ATOM 1007 CD ARG A 66 -9.154 -16.627 -33.605 1.00 0.00 C ATOM 1008 NE ARG A 66 -8.890 -15.983 -34.911 1.00 0.00 N ATOM 1009 CZ ARG A 66 -8.346 -16.617 -35.971 1.00 0.00 C ATOM 1010 NH1 ARG A 66 -8.005 -17.921 -35.889 1.00 0.00 N ATOM 1011 NH2 ARG A 66 -8.154 -15.944 -37.090 1.00 0.00 N ATOM 0 H ARG A 66 -8.145 -17.392 -28.781 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.426 -16.309 -30.452 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.417 -17.742 -31.052 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.423 -16.308 -31.009 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.720 -15.288 -32.709 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.132 -16.926 -32.915 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.266 -17.703 -33.737 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.092 -16.257 -33.191 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.134 -14.998 -35.017 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.158 -18.435 -35.021 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.594 -18.392 -36.695 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.416 -14.960 -37.144 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.744 -16.408 -37.900 1.00 0.00 H new ATOM 1024 N ILE A 67 -8.532 -13.973 -29.524 1.00 0.00 N ATOM 1025 CA ILE A 67 -8.773 -12.540 -29.504 1.00 0.00 C ATOM 1026 C ILE A 67 -7.436 -11.801 -29.600 1.00 0.00 C ATOM 1027 O ILE A 67 -7.329 -10.794 -30.298 1.00 0.00 O ATOM 1028 CB ILE A 67 -9.602 -12.153 -28.278 1.00 0.00 C ATOM 1029 CG1 ILE A 67 -8.925 -12.621 -26.988 1.00 0.00 C ATOM 1030 CG2 ILE A 67 -11.034 -12.679 -28.396 1.00 0.00 C ATOM 1031 CD1 ILE A 67 -9.762 -12.248 -25.763 1.00 0.00 C ATOM 0 H ILE A 67 -9.147 -14.517 -28.919 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.366 -12.242 -30.368 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.660 -11.065 -28.235 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.781 -13.701 -27.020 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.936 -12.170 -26.908 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -11.602 -12.390 -27.512 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.505 -12.256 -29.284 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.017 -13.766 -28.477 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.258 -12.592 -24.860 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.883 -11.166 -25.721 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.742 -12.720 -25.834 1.00 0.00 H new ATOM 1043 N HIS A 68 -6.451 -12.331 -28.890 1.00 0.00 N ATOM 1044 CA HIS A 68 -5.126 -11.735 -28.886 1.00 0.00 C ATOM 1045 C HIS A 68 -4.122 -12.713 -29.498 1.00 0.00 C ATOM 1046 O HIS A 68 -4.454 -13.451 -30.425 1.00 0.00 O ATOM 1047 CB HIS A 68 -4.735 -11.288 -27.476 1.00 0.00 C ATOM 1048 CG HIS A 68 -5.908 -10.906 -26.605 1.00 0.00 C ATOM 1049 ND1 HIS A 68 -6.911 -10.052 -27.030 1.00 0.00 N ATOM 1050 CD2 HIS A 68 -6.228 -11.272 -25.331 1.00 0.00 C ATOM 1051 CE1 HIS A 68 -7.789 -9.916 -26.047 1.00 0.00 C ATOM 1052 NE2 HIS A 68 -7.364 -10.672 -24.995 1.00 0.00 N ATOM 0 H HIS A 68 -6.544 -13.167 -28.313 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.126 -10.836 -29.502 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -4.182 -12.093 -26.991 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.058 -10.437 -27.550 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.655 -11.937 -24.702 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.684 -9.312 -26.074 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -7.840 -10.762 -24.098 1.00 0.00 H new ATOM 1060 N ALA A 69 -2.913 -12.687 -28.956 1.00 0.00 N ATOM 1061 CA ALA A 69 -1.858 -13.562 -29.437 1.00 0.00 C ATOM 1062 C ALA A 69 -0.910 -13.893 -28.282 1.00 0.00 C ATOM 1063 O ALA A 69 0.037 -13.153 -28.020 1.00 0.00 O ATOM 1064 CB ALA A 69 -1.137 -12.896 -30.610 1.00 0.00 C ATOM 0 H ALA A 69 -2.641 -12.073 -28.188 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.275 -14.501 -29.801 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.345 -13.553 -30.971 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.848 -12.708 -31.415 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.703 -11.951 -30.282 1.00 0.00 H new ATOM 1070 N VAL A 70 -1.198 -15.006 -27.622 1.00 0.00 N ATOM 1071 CA VAL A 70 -0.383 -15.444 -26.502 1.00 0.00 C ATOM 1072 C VAL A 70 0.380 -16.709 -26.896 1.00 0.00 C ATOM 1073 O VAL A 70 -0.198 -17.793 -26.961 1.00 0.00 O ATOM 1074 CB VAL A 70 -1.258 -15.635 -25.262 1.00 0.00 C ATOM 1075 CG1 VAL A 70 -2.741 -15.672 -25.637 1.00 0.00 C ATOM 1076 CG2 VAL A 70 -0.855 -16.897 -24.496 1.00 0.00 C ATOM 0 H VAL A 70 -1.984 -15.617 -27.842 1.00 0.00 H new ATOM 0 HA VAL A 70 0.357 -14.685 -26.248 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.100 -14.779 -24.606 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.341 -15.809 -24.737 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.018 -14.734 -26.119 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.922 -16.499 -26.323 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.492 -17.009 -23.619 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.970 -17.767 -25.142 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.185 -16.814 -24.180 1.00 0.00 H new ATOM 1086 N SER A 71 1.668 -16.530 -27.150 1.00 0.00 N ATOM 1087 CA SER A 71 2.517 -17.645 -27.536 1.00 0.00 C ATOM 1088 C SER A 71 2.941 -18.434 -26.296 1.00 0.00 C ATOM 1089 O SER A 71 3.087 -17.866 -25.215 1.00 0.00 O ATOM 1090 CB SER A 71 3.748 -17.159 -28.304 1.00 0.00 C ATOM 1091 OG SER A 71 3.473 -16.966 -29.688 1.00 0.00 O ATOM 0 H SER A 71 2.145 -15.630 -27.096 1.00 0.00 H new ATOM 0 HA SER A 71 1.946 -18.298 -28.195 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.099 -16.223 -27.870 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.554 -17.884 -28.192 1.00 0.00 H new ATOM 0 HG SER A 71 4.281 -16.646 -30.141 1.00 0.00 H new ATOM 1097 N ILE A 72 3.128 -19.731 -26.494 1.00 0.00 N ATOM 1098 CA ILE A 72 3.533 -20.603 -25.405 1.00 0.00 C ATOM 1099 C ILE A 72 4.712 -21.465 -25.860 1.00 0.00 C ATOM 1100 O ILE A 72 4.565 -22.310 -26.742 1.00 0.00 O ATOM 1101 CB ILE A 72 2.340 -21.413 -24.896 1.00 0.00 C ATOM 1102 CG1 ILE A 72 2.333 -21.477 -23.367 1.00 0.00 C ATOM 1103 CG2 ILE A 72 2.312 -22.806 -25.528 1.00 0.00 C ATOM 1104 CD1 ILE A 72 1.374 -20.441 -22.779 1.00 0.00 C ATOM 0 H ILE A 72 3.006 -20.199 -27.392 1.00 0.00 H new ATOM 0 HA ILE A 72 3.877 -20.015 -24.554 1.00 0.00 H new ATOM 0 HB ILE A 72 1.426 -20.903 -25.201 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.039 -22.475 -23.043 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.340 -21.302 -22.988 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.454 -23.361 -25.149 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.234 -22.713 -26.611 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.229 -23.339 -25.275 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.388 -20.508 -21.691 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.685 -19.442 -23.085 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.364 -20.633 -23.141 1.00 0.00 H new ATOM 1116 N LYS A 73 5.857 -21.223 -25.238 1.00 0.00 N ATOM 1117 CA LYS A 73 7.061 -21.966 -25.567 1.00 0.00 C ATOM 1118 C LYS A 73 7.855 -22.235 -24.288 1.00 0.00 C ATOM 1119 O LYS A 73 8.430 -21.317 -23.705 1.00 0.00 O ATOM 1120 CB LYS A 73 7.862 -21.237 -26.647 1.00 0.00 C ATOM 1121 CG LYS A 73 7.176 -21.349 -28.010 1.00 0.00 C ATOM 1122 CD LYS A 73 8.171 -21.774 -29.092 1.00 0.00 C ATOM 1123 CE LYS A 73 8.805 -20.554 -29.762 1.00 0.00 C ATOM 1124 NZ LYS A 73 8.455 -20.512 -31.200 1.00 0.00 N ATOM 0 H LYS A 73 5.976 -20.522 -24.507 1.00 0.00 H new ATOM 0 HA LYS A 73 6.805 -22.936 -25.993 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.972 -20.187 -26.377 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.866 -21.657 -26.706 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.363 -22.073 -27.954 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.731 -20.391 -28.277 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.949 -22.397 -28.651 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.662 -22.381 -29.841 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.462 -19.643 -29.271 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.888 -20.590 -29.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.893 -19.678 -31.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.804 -21.373 -31.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.422 -20.456 -31.304 1.00 0.00 H new ATOM 1137 N ALA A 74 7.862 -23.499 -23.888 1.00 0.00 N ATOM 1138 CA ALA A 74 8.577 -23.900 -22.689 1.00 0.00 C ATOM 1139 C ALA A 74 10.069 -24.020 -23.005 1.00 0.00 C ATOM 1140 O ALA A 74 10.478 -24.899 -23.762 1.00 0.00 O ATOM 1141 CB ALA A 74 7.987 -25.207 -22.156 1.00 0.00 C ATOM 0 H ALA A 74 7.384 -24.258 -24.373 1.00 0.00 H new ATOM 0 HA ALA A 74 8.466 -23.149 -21.907 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.523 -25.508 -21.256 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.933 -25.060 -21.918 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.083 -25.985 -22.913 1.00 0.00 H new ATOM 1147 N TYR A 75 10.842 -23.124 -22.409 1.00 0.00 N ATOM 1148 CA TYR A 75 12.280 -23.118 -22.618 1.00 0.00 C ATOM 1149 C TYR A 75 13.020 -22.761 -21.327 1.00 0.00 C ATOM 1150 O TYR A 75 12.398 -22.572 -20.283 1.00 0.00 O ATOM 1151 CB TYR A 75 12.550 -22.034 -23.663 1.00 0.00 C ATOM 1152 CG TYR A 75 12.166 -22.435 -25.089 1.00 0.00 C ATOM 1153 CD1 TYR A 75 12.472 -23.697 -25.557 1.00 0.00 C ATOM 1154 CD2 TYR A 75 11.513 -21.535 -25.907 1.00 0.00 C ATOM 1155 CE1 TYR A 75 12.111 -24.074 -26.899 1.00 0.00 C ATOM 1156 CE2 TYR A 75 11.152 -21.913 -27.248 1.00 0.00 C ATOM 1157 CZ TYR A 75 11.469 -23.163 -27.678 1.00 0.00 C ATOM 1158 OH TYR A 75 11.127 -23.520 -28.946 1.00 0.00 O ATOM 0 H TYR A 75 10.499 -22.397 -21.781 1.00 0.00 H new ATOM 0 HA TYR A 75 12.626 -24.101 -22.937 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.999 -21.134 -23.389 1.00 0.00 H new ATOM 0 HB3 TYR A 75 13.609 -21.778 -23.641 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.982 -24.402 -24.917 1.00 0.00 H new ATOM 0 HD2 TYR A 75 11.273 -20.548 -25.541 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.345 -25.058 -27.278 1.00 0.00 H new ATOM 0 HE2 TYR A 75 10.641 -21.219 -27.898 1.00 0.00 H new ATOM 0 HH TYR A 75 10.960 -24.485 -28.980 1.00 0.00 H new ATOM 1168 N THR A 76 14.337 -22.679 -21.441 1.00 0.00 N ATOM 1169 CA THR A 76 15.169 -22.348 -20.297 1.00 0.00 C ATOM 1170 C THR A 76 15.270 -20.831 -20.133 1.00 0.00 C ATOM 1171 O THR A 76 14.669 -20.078 -20.898 1.00 0.00 O ATOM 1172 CB THR A 76 16.525 -23.032 -20.484 1.00 0.00 C ATOM 1173 OG1 THR A 76 17.291 -22.085 -21.225 1.00 0.00 O ATOM 1174 CG2 THR A 76 16.444 -24.250 -21.406 1.00 0.00 C ATOM 0 H THR A 76 14.849 -22.836 -22.309 1.00 0.00 H new ATOM 0 HA THR A 76 14.730 -22.715 -19.369 1.00 0.00 H new ATOM 0 HB THR A 76 16.915 -23.338 -19.513 1.00 0.00 H new ATOM 0 HG1 THR A 76 18.187 -22.446 -21.390 1.00 0.00 H new ATOM 0 HG21 THR A 76 17.433 -24.698 -21.505 1.00 0.00 H new ATOM 0 HG22 THR A 76 15.755 -24.981 -20.983 1.00 0.00 H new ATOM 0 HG23 THR A 76 16.086 -23.940 -22.388 1.00 0.00 H new ATOM 1182 N PRO A 77 16.056 -20.415 -19.103 1.00 0.00 N ATOM 1183 CA PRO A 77 16.244 -19.001 -18.829 1.00 0.00 C ATOM 1184 C PRO A 77 17.188 -18.365 -19.851 1.00 0.00 C ATOM 1185 O PRO A 77 16.972 -17.232 -20.280 1.00 0.00 O ATOM 1186 CB PRO A 77 16.782 -18.944 -17.408 1.00 0.00 C ATOM 1187 CG PRO A 77 17.313 -20.336 -17.107 1.00 0.00 C ATOM 1188 CD PRO A 77 16.784 -21.278 -18.177 1.00 0.00 C ATOM 0 HA PRO A 77 15.320 -18.430 -18.914 1.00 0.00 H new ATOM 0 HB2 PRO A 77 17.571 -18.197 -17.319 1.00 0.00 H new ATOM 0 HB3 PRO A 77 15.998 -18.665 -16.704 1.00 0.00 H new ATOM 0 HG2 PRO A 77 18.403 -20.336 -17.103 1.00 0.00 H new ATOM 0 HG3 PRO A 77 16.991 -20.662 -16.118 1.00 0.00 H new ATOM 0 HD2 PRO A 77 17.597 -21.802 -18.680 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.131 -22.038 -17.748 1.00 0.00 H new ATOM 1196 N ALA A 78 18.214 -19.121 -20.213 1.00 0.00 N ATOM 1197 CA ALA A 78 19.191 -18.646 -21.177 1.00 0.00 C ATOM 1198 C ALA A 78 18.657 -18.872 -22.593 1.00 0.00 C ATOM 1199 O ALA A 78 19.035 -18.163 -23.524 1.00 0.00 O ATOM 1200 CB ALA A 78 20.528 -19.350 -20.939 1.00 0.00 C ATOM 0 H ALA A 78 18.390 -20.060 -19.855 1.00 0.00 H new ATOM 0 HA ALA A 78 19.360 -17.576 -21.056 1.00 0.00 H new ATOM 0 HB1 ALA A 78 21.261 -18.993 -21.663 1.00 0.00 H new ATOM 0 HB2 ALA A 78 20.879 -19.133 -19.930 1.00 0.00 H new ATOM 0 HB3 ALA A 78 20.398 -20.426 -21.054 1.00 0.00 H new ATOM 1206 N GLU A 79 17.786 -19.863 -22.710 1.00 0.00 N ATOM 1207 CA GLU A 79 17.195 -20.192 -23.997 1.00 0.00 C ATOM 1208 C GLU A 79 16.451 -18.982 -24.564 1.00 0.00 C ATOM 1209 O GLU A 79 16.326 -18.839 -25.779 1.00 0.00 O ATOM 1210 CB GLU A 79 16.266 -21.402 -23.880 1.00 0.00 C ATOM 1211 CG GLU A 79 15.750 -21.831 -25.255 1.00 0.00 C ATOM 1212 CD GLU A 79 16.081 -23.299 -25.532 1.00 0.00 C ATOM 1213 OE1 GLU A 79 16.113 -24.114 -24.599 1.00 0.00 O ATOM 1214 OE2 GLU A 79 16.308 -23.582 -26.770 1.00 0.00 O ATOM 0 H GLU A 79 17.475 -20.449 -21.935 1.00 0.00 H new ATOM 0 HA GLU A 79 17.997 -20.456 -24.686 1.00 0.00 H new ATOM 0 HB2 GLU A 79 16.799 -22.230 -23.413 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.425 -21.158 -23.232 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.671 -21.682 -25.305 1.00 0.00 H new ATOM 0 HG3 GLU A 79 16.195 -21.202 -26.027 1.00 0.00 H new ATOM 1222 N TRP A 80 15.975 -18.141 -23.657 1.00 0.00 N ATOM 1223 CA TRP A 80 15.246 -16.948 -24.051 1.00 0.00 C ATOM 1224 C TRP A 80 16.205 -16.043 -24.828 1.00 0.00 C ATOM 1225 O TRP A 80 16.118 -15.944 -26.051 1.00 0.00 O ATOM 1226 CB TRP A 80 14.626 -16.257 -22.835 1.00 0.00 C ATOM 1227 CG TRP A 80 13.151 -15.891 -23.013 1.00 0.00 C ATOM 1228 CD1 TRP A 80 12.182 -15.897 -22.088 1.00 0.00 C ATOM 1229 CD2 TRP A 80 12.513 -15.462 -24.234 1.00 0.00 C ATOM 1230 NE1 TRP A 80 10.971 -15.505 -22.621 1.00 0.00 N ATOM 1231 CE2 TRP A 80 11.178 -15.232 -23.968 1.00 0.00 C ATOM 1232 CE3 TRP A 80 13.045 -15.274 -25.522 1.00 0.00 C ATOM 1233 CZ2 TRP A 80 10.266 -14.801 -24.938 1.00 0.00 C ATOM 1234 CZ3 TRP A 80 12.120 -14.844 -26.481 1.00 0.00 C ATOM 1235 CH2 TRP A 80 10.774 -14.608 -26.228 1.00 0.00 C ATOM 0 H TRP A 80 16.080 -18.263 -22.650 1.00 0.00 H new ATOM 0 HA TRP A 80 14.408 -17.205 -24.698 1.00 0.00 H new ATOM 0 HB2 TRP A 80 14.726 -16.911 -21.968 1.00 0.00 H new ATOM 0 HB3 TRP A 80 15.191 -15.351 -22.617 1.00 0.00 H new ATOM 0 HD1 TRP A 80 12.330 -16.174 -21.055 1.00 0.00 H new ATOM 0 HE1 TRP A 80 10.086 -15.429 -22.119 1.00 0.00 H new ATOM 0 HE3 TRP A 80 14.086 -15.448 -25.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 9.226 -14.627 -24.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 12.477 -14.685 -27.488 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.123 -14.277 -27.023 1.00 0.00 H new ATOM 1246 N ALA A 81 17.099 -15.406 -24.085 1.00 0.00 N ATOM 1247 CA ALA A 81 18.073 -14.513 -24.689 1.00 0.00 C ATOM 1248 C ALA A 81 18.539 -15.100 -26.023 1.00 0.00 C ATOM 1249 O ALA A 81 18.499 -14.425 -27.050 1.00 0.00 O ATOM 1250 CB ALA A 81 19.231 -14.287 -23.715 1.00 0.00 C ATOM 0 H ALA A 81 17.169 -15.491 -23.071 1.00 0.00 H new ATOM 0 HA ALA A 81 17.626 -13.541 -24.895 1.00 0.00 H new ATOM 0 HB1 ALA A 81 19.962 -13.617 -24.168 1.00 0.00 H new ATOM 0 HB2 ALA A 81 18.851 -13.842 -22.795 1.00 0.00 H new ATOM 0 HB3 ALA A 81 19.706 -15.241 -23.487 1.00 0.00 H new ATOM 1256 N ARG A 82 18.970 -16.351 -25.963 1.00 0.00 N ATOM 1257 CA ARG A 82 19.444 -17.037 -27.154 1.00 0.00 C ATOM 1258 C ARG A 82 18.340 -17.086 -28.213 1.00 0.00 C ATOM 1259 O ARG A 82 18.602 -16.881 -29.397 1.00 0.00 O ATOM 1260 CB ARG A 82 19.890 -18.463 -26.827 1.00 0.00 C ATOM 1261 CG ARG A 82 20.464 -19.156 -28.065 1.00 0.00 C ATOM 1262 CD ARG A 82 20.220 -20.665 -28.012 1.00 0.00 C ATOM 1263 NE ARG A 82 21.509 -21.382 -27.896 1.00 0.00 N ATOM 1264 CZ ARG A 82 22.132 -21.635 -26.725 1.00 0.00 C ATOM 1265 NH1 ARG A 82 21.587 -21.230 -25.558 1.00 0.00 N ATOM 1266 NH2 ARG A 82 23.281 -22.284 -26.738 1.00 0.00 N ATOM 0 H ARG A 82 19.001 -16.908 -25.109 1.00 0.00 H new ATOM 0 HA ARG A 82 20.298 -16.480 -27.540 1.00 0.00 H new ATOM 0 HB2 ARG A 82 20.641 -18.441 -26.037 1.00 0.00 H new ATOM 0 HB3 ARG A 82 19.043 -19.034 -26.446 1.00 0.00 H new ATOM 0 HG2 ARG A 82 20.006 -18.741 -28.963 1.00 0.00 H new ATOM 0 HG3 ARG A 82 21.534 -18.959 -28.133 1.00 0.00 H new ATOM 0 HD2 ARG A 82 19.581 -20.909 -27.163 1.00 0.00 H new ATOM 0 HD3 ARG A 82 19.694 -20.988 -28.910 1.00 0.00 H new ATOM 0 HE ARG A 82 21.955 -21.705 -28.754 1.00 0.00 H new ATOM 0 HH11 ARG A 82 20.698 -20.729 -25.557 1.00 0.00 H new ATOM 0 HH12 ARG A 82 22.064 -21.425 -24.678 1.00 0.00 H new ATOM 0 HH21 ARG A 82 23.686 -22.587 -27.624 1.00 0.00 H new ATOM 0 HH22 ARG A 82 23.764 -22.483 -25.862 1.00 0.00 H new ATOM 1279 N ASP A 83 17.129 -17.357 -27.747 1.00 0.00 N ATOM 1280 CA ASP A 83 15.985 -17.435 -28.639 1.00 0.00 C ATOM 1281 C ASP A 83 15.727 -16.057 -29.252 1.00 0.00 C ATOM 1282 O ASP A 83 15.534 -15.937 -30.461 1.00 0.00 O ATOM 1283 CB ASP A 83 14.725 -17.860 -27.883 1.00 0.00 C ATOM 1284 CG ASP A 83 14.370 -19.343 -28.000 1.00 0.00 C ATOM 1285 OD1 ASP A 83 15.241 -20.219 -27.887 1.00 0.00 O ATOM 1286 OD2 ASP A 83 13.123 -19.590 -28.219 1.00 0.00 O ATOM 0 H ASP A 83 16.916 -17.525 -26.764 1.00 0.00 H new ATOM 0 HA ASP A 83 16.208 -18.172 -29.410 1.00 0.00 H new ATOM 0 HB2 ASP A 83 14.852 -17.614 -26.829 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.884 -17.271 -28.249 1.00 0.00 H new ATOM 1292 N ARG A 84 15.731 -15.051 -28.390 1.00 0.00 N ATOM 1293 CA ARG A 84 15.500 -13.686 -28.831 1.00 0.00 C ATOM 1294 C ARG A 84 16.681 -13.191 -29.667 1.00 0.00 C ATOM 1295 O ARG A 84 16.529 -12.290 -30.491 1.00 0.00 O ATOM 1296 CB ARG A 84 15.300 -12.748 -27.638 1.00 0.00 C ATOM 1297 CG ARG A 84 14.134 -11.789 -27.885 1.00 0.00 C ATOM 1298 CD ARG A 84 13.131 -11.837 -26.730 1.00 0.00 C ATOM 1299 NE ARG A 84 12.816 -10.464 -26.276 1.00 0.00 N ATOM 1300 CZ ARG A 84 13.725 -9.610 -25.760 1.00 0.00 C ATOM 1301 NH1 ARG A 84 15.016 -9.982 -25.627 1.00 0.00 N ATOM 1302 NH2 ARG A 84 13.333 -8.406 -25.386 1.00 0.00 N ATOM 0 H ARG A 84 15.891 -15.154 -27.388 1.00 0.00 H new ATOM 0 HA ARG A 84 14.594 -13.683 -29.438 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.110 -13.333 -26.738 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.213 -12.179 -27.461 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.512 -10.773 -28.001 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.634 -12.051 -28.817 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.219 -12.341 -27.050 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.543 -12.417 -25.904 1.00 0.00 H new ATOM 0 HE ARG A 84 11.851 -10.143 -26.358 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.311 -10.914 -25.917 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.697 -9.331 -25.236 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.356 -8.133 -25.489 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.008 -7.749 -24.994 1.00 0.00 H new ATOM 1315 N LYS A 85 17.833 -13.801 -29.427 1.00 0.00 N ATOM 1316 CA LYS A 85 19.039 -13.434 -30.148 1.00 0.00 C ATOM 1317 C LYS A 85 19.101 -14.216 -31.462 1.00 0.00 C ATOM 1318 O LYS A 85 19.859 -13.862 -32.364 1.00 0.00 O ATOM 1319 CB LYS A 85 20.272 -13.623 -29.262 1.00 0.00 C ATOM 1320 CG LYS A 85 20.692 -12.300 -28.618 1.00 0.00 C ATOM 1321 CD LYS A 85 20.513 -12.349 -27.099 1.00 0.00 C ATOM 1322 CE LYS A 85 19.276 -11.559 -26.667 1.00 0.00 C ATOM 1323 NZ LYS A 85 19.383 -10.149 -27.103 1.00 0.00 N ATOM 0 H LYS A 85 17.956 -14.547 -28.743 1.00 0.00 H new ATOM 0 HA LYS A 85 19.020 -12.375 -30.407 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.057 -14.358 -28.486 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.095 -14.019 -29.857 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.734 -12.089 -28.858 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.098 -11.485 -29.032 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.419 -13.385 -26.774 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.398 -11.941 -26.612 1.00 0.00 H new ATOM 0 HE2 LYS A 85 18.381 -12.011 -27.094 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.169 -11.604 -25.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 18.931 -9.532 -26.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.386 -9.890 -27.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 18.907 -10.032 -28.020 1.00 0.00 H new ATOM 1336 N LEU A 86 18.294 -15.264 -31.528 1.00 0.00 N ATOM 1337 CA LEU A 86 18.247 -16.099 -32.717 1.00 0.00 C ATOM 1338 C LEU A 86 17.568 -15.327 -33.850 1.00 0.00 C ATOM 1339 O LEU A 86 17.429 -14.107 -33.780 1.00 0.00 O ATOM 1340 CB LEU A 86 17.584 -17.441 -32.403 1.00 0.00 C ATOM 1341 CG LEU A 86 18.527 -18.638 -32.261 1.00 0.00 C ATOM 1342 CD1 LEU A 86 17.749 -19.955 -32.285 1.00 0.00 C ATOM 1343 CD2 LEU A 86 19.624 -18.601 -33.327 1.00 0.00 C ATOM 0 H LEU A 86 17.667 -15.555 -30.778 1.00 0.00 H new ATOM 0 HA LEU A 86 19.255 -16.339 -33.054 1.00 0.00 H new ATOM 0 HB2 LEU A 86 17.019 -17.337 -31.477 1.00 0.00 H new ATOM 0 HB3 LEU A 86 16.865 -17.662 -33.192 1.00 0.00 H new ATOM 0 HG LEU A 86 19.019 -18.572 -31.290 1.00 0.00 H new ATOM 0 HD11 LEU A 86 18.443 -20.789 -32.182 1.00 0.00 H new ATOM 0 HD12 LEU A 86 17.037 -19.972 -31.460 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.212 -20.043 -33.230 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.280 -19.462 -33.204 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.170 -18.630 -34.318 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.204 -17.685 -33.220 1.00 0.00 H new ATOM 1355 N ASN A 87 17.162 -16.071 -34.869 1.00 0.00 N ATOM 1356 CA ASN A 87 16.500 -15.472 -36.016 1.00 0.00 C ATOM 1357 C ASN A 87 15.034 -15.911 -36.040 1.00 0.00 C ATOM 1358 O ASN A 87 14.395 -15.896 -37.091 1.00 0.00 O ATOM 1359 CB ASN A 87 17.150 -15.924 -37.325 1.00 0.00 C ATOM 1360 CG ASN A 87 17.308 -17.446 -37.362 1.00 0.00 C ATOM 1361 OD1 ASN A 87 18.051 -18.038 -36.596 1.00 0.00 O ATOM 1362 ND2 ASN A 87 16.569 -18.043 -38.293 1.00 0.00 N ATOM 0 H ASN A 87 17.279 -17.083 -34.924 1.00 0.00 H new ATOM 0 HA ASN A 87 16.584 -14.389 -35.926 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.542 -15.597 -38.169 1.00 0.00 H new ATOM 0 HB3 ASN A 87 18.126 -15.451 -37.433 1.00 0.00 H new ATOM 0 HD21 ASN A 87 16.603 -19.057 -38.399 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.968 -17.487 -38.901 1.00 0.00 H new ATOM 1369 N GLY A 88 14.544 -16.291 -34.869 1.00 0.00 N ATOM 1370 CA GLY A 88 13.166 -16.733 -34.742 1.00 0.00 C ATOM 1371 C GLY A 88 12.344 -15.737 -33.923 1.00 0.00 C ATOM 1372 O GLY A 88 11.138 -15.606 -34.127 1.00 0.00 O ATOM 0 H GLY A 88 15.077 -16.302 -33.999 1.00 0.00 H new ATOM 0 HA2 GLY A 88 12.724 -16.847 -35.732 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.137 -17.713 -34.265 1.00 0.00 H new ATOM 1376 N PHE A 89 13.029 -15.060 -33.013 1.00 0.00 N ATOM 1377 CA PHE A 89 12.377 -14.079 -32.162 1.00 0.00 C ATOM 1378 C PHE A 89 12.940 -12.678 -32.409 1.00 0.00 C ATOM 1379 O PHE A 89 12.509 -11.712 -31.781 1.00 0.00 O ATOM 1380 CB PHE A 89 12.663 -14.483 -30.714 1.00 0.00 C ATOM 1381 CG PHE A 89 11.626 -15.436 -30.118 1.00 0.00 C ATOM 1382 CD1 PHE A 89 10.502 -14.940 -29.535 1.00 0.00 C ATOM 1383 CD2 PHE A 89 11.828 -16.780 -30.170 1.00 0.00 C ATOM 1384 CE1 PHE A 89 9.539 -15.825 -28.981 1.00 0.00 C ATOM 1385 CE2 PHE A 89 10.866 -17.665 -29.616 1.00 0.00 C ATOM 1386 CZ PHE A 89 9.742 -17.169 -29.033 1.00 0.00 C ATOM 0 H PHE A 89 14.029 -15.172 -32.846 1.00 0.00 H new ATOM 0 HA PHE A 89 11.308 -14.054 -32.374 1.00 0.00 H new ATOM 0 HB2 PHE A 89 13.645 -14.955 -30.666 1.00 0.00 H new ATOM 0 HB3 PHE A 89 12.711 -13.584 -30.099 1.00 0.00 H new ATOM 0 HD1 PHE A 89 10.342 -13.873 -29.493 1.00 0.00 H new ATOM 0 HD2 PHE A 89 12.721 -17.174 -30.633 1.00 0.00 H new ATOM 0 HE1 PHE A 89 8.646 -15.431 -28.519 1.00 0.00 H new ATOM 0 HE2 PHE A 89 11.027 -18.732 -29.658 1.00 0.00 H new ATOM 0 HZ PHE A 89 9.010 -17.842 -28.611 1.00 0.00 H new ATOM 1396 N LEU A 90 13.894 -12.612 -33.326 1.00 0.00 N ATOM 1397 CA LEU A 90 14.520 -11.345 -33.664 1.00 0.00 C ATOM 1398 C LEU A 90 14.730 -11.272 -35.178 1.00 0.00 C ATOM 1399 O LEU A 90 15.466 -10.416 -35.666 1.00 0.00 O ATOM 1400 CB LEU A 90 15.804 -11.149 -32.855 1.00 0.00 C ATOM 1401 CG LEU A 90 16.762 -10.071 -33.367 1.00 0.00 C ATOM 1402 CD1 LEU A 90 17.447 -9.350 -32.205 1.00 0.00 C ATOM 1403 CD2 LEU A 90 17.773 -10.659 -34.353 1.00 0.00 C ATOM 0 H LEU A 90 14.249 -13.415 -33.845 1.00 0.00 H new ATOM 0 HA LEU A 90 13.869 -10.514 -33.392 1.00 0.00 H new ATOM 0 HB2 LEU A 90 15.529 -10.905 -31.829 1.00 0.00 H new ATOM 0 HB3 LEU A 90 16.339 -12.098 -32.825 1.00 0.00 H new ATOM 0 HG LEU A 90 16.180 -9.326 -33.910 1.00 0.00 H new ATOM 0 HD11 LEU A 90 18.122 -8.589 -32.596 1.00 0.00 H new ATOM 0 HD12 LEU A 90 16.693 -8.877 -31.575 1.00 0.00 H new ATOM 0 HD13 LEU A 90 18.014 -10.069 -31.614 1.00 0.00 H new ATOM 0 HD21 LEU A 90 18.442 -9.872 -34.701 1.00 0.00 H new ATOM 0 HD22 LEU A 90 18.355 -11.436 -33.857 1.00 0.00 H new ATOM 0 HD23 LEU A 90 17.244 -11.089 -35.204 1.00 0.00 H new ATOM 1415 N GLU A 91 14.070 -12.182 -35.879 1.00 0.00 N ATOM 1416 CA GLU A 91 14.174 -12.232 -37.327 1.00 0.00 C ATOM 1417 C GLU A 91 15.577 -11.813 -37.773 1.00 0.00 C ATOM 1418 O GLU A 91 15.828 -10.633 -38.014 1.00 0.00 O ATOM 1419 CB GLU A 91 13.105 -11.357 -37.985 1.00 0.00 C ATOM 1420 CG GLU A 91 12.758 -11.873 -39.382 1.00 0.00 C ATOM 1421 CD GLU A 91 11.544 -12.804 -39.337 1.00 0.00 C ATOM 1422 OE1 GLU A 91 10.419 -12.345 -39.090 1.00 0.00 O ATOM 1423 OE2 GLU A 91 11.801 -14.047 -39.570 1.00 0.00 O ATOM 0 H GLU A 91 13.461 -12.891 -35.471 1.00 0.00 H new ATOM 0 HA GLU A 91 14.003 -13.259 -37.649 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.208 -11.344 -37.365 1.00 0.00 H new ATOM 0 HB3 GLU A 91 13.462 -10.329 -38.051 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.551 -11.032 -40.043 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.613 -12.404 -39.800 1.00 0.00 H new ATOM 1431 N HIS A 92 16.453 -12.802 -37.869 1.00 0.00 N ATOM 1432 CA HIS A 92 17.823 -12.550 -38.281 1.00 0.00 C ATOM 1433 C HIS A 92 18.191 -13.482 -39.438 1.00 0.00 C ATOM 1434 O HIS A 92 19.207 -14.172 -39.385 1.00 0.00 O ATOM 1435 CB HIS A 92 18.779 -12.674 -37.093 1.00 0.00 C ATOM 1436 CG HIS A 92 20.210 -12.312 -37.416 1.00 0.00 C ATOM 1437 ND1 HIS A 92 20.652 -11.002 -37.493 1.00 0.00 N ATOM 1438 CD2 HIS A 92 21.291 -13.100 -37.678 1.00 0.00 C ATOM 1439 CE1 HIS A 92 21.943 -11.014 -37.790 1.00 0.00 C ATOM 1440 NE2 HIS A 92 22.337 -12.315 -37.905 1.00 0.00 N ATOM 0 H HIS A 92 16.241 -13.779 -37.669 1.00 0.00 H new ATOM 0 HA HIS A 92 17.915 -11.526 -38.642 1.00 0.00 H new ATOM 0 HB2 HIS A 92 18.426 -12.031 -36.287 1.00 0.00 H new ATOM 0 HB3 HIS A 92 18.749 -13.698 -36.721 1.00 0.00 H new ATOM 0 HD2 HIS A 92 21.296 -14.180 -37.698 1.00 0.00 H new ATOM 0 HE1 HIS A 92 22.573 -10.146 -37.919 1.00 0.00 H new ATOM 0 HE2 HIS A 92 23.280 -12.632 -38.129 1.00 0.00 H new ATOM 1448 N HIS A 93 17.343 -13.472 -40.456 1.00 0.00 N ATOM 1449 CA HIS A 93 17.565 -14.307 -41.623 1.00 0.00 C ATOM 1450 C HIS A 93 16.550 -13.950 -42.711 1.00 0.00 C ATOM 1451 O HIS A 93 16.903 -13.849 -43.885 1.00 0.00 O ATOM 1452 CB HIS A 93 17.532 -15.790 -41.245 1.00 0.00 C ATOM 1453 CG HIS A 93 18.244 -16.690 -42.226 1.00 0.00 C ATOM 1454 ND1 HIS A 93 19.449 -16.351 -42.817 1.00 0.00 N ATOM 1455 CD2 HIS A 93 17.908 -17.919 -42.713 1.00 0.00 C ATOM 1456 CE1 HIS A 93 19.812 -17.339 -43.621 1.00 0.00 C ATOM 1457 NE2 HIS A 93 18.856 -18.310 -43.556 1.00 0.00 N ATOM 0 H HIS A 93 16.501 -12.898 -40.496 1.00 0.00 H new ATOM 0 HA HIS A 93 18.560 -14.117 -42.026 1.00 0.00 H new ATOM 0 HB2 HIS A 93 17.984 -15.914 -40.261 1.00 0.00 H new ATOM 0 HB3 HIS A 93 16.493 -16.110 -41.162 1.00 0.00 H new ATOM 0 HD2 HIS A 93 17.021 -18.479 -42.456 1.00 0.00 H new ATOM 0 HE1 HIS A 93 20.708 -17.370 -44.223 1.00 0.00 H new ATOM 0 HE2 HIS A 93 18.868 -19.191 -44.070 1.00 0.00 H new ATOM 1465 N HIS A 94 15.310 -13.769 -42.282 1.00 0.00 N ATOM 1466 CA HIS A 94 14.241 -13.426 -43.204 1.00 0.00 C ATOM 1467 C HIS A 94 13.963 -14.610 -44.132 1.00 0.00 C ATOM 1468 O HIS A 94 14.692 -14.831 -45.098 1.00 0.00 O ATOM 1469 CB HIS A 94 14.574 -12.141 -43.966 1.00 0.00 C ATOM 1470 CG HIS A 94 13.812 -10.928 -43.488 1.00 0.00 C ATOM 1471 ND1 HIS A 94 12.806 -10.811 -42.574 1.00 0.00 N flip ATOM 1472 CD2 HIS A 94 14.061 -9.652 -43.961 1.00 0.00 C flip ATOM 1473 CE1 HIS A 94 12.459 -9.532 -42.493 1.00 0.00 C flip ATOM 1474 NE2 HIS A 94 13.236 -8.812 -43.353 1.00 0.00 N flip ATOM 0 H HIS A 94 15.021 -13.853 -41.307 1.00 0.00 H new ATOM 0 HA HIS A 94 13.326 -13.224 -42.647 1.00 0.00 H new ATOM 0 HB2 HIS A 94 15.642 -11.944 -43.877 1.00 0.00 H new ATOM 0 HB3 HIS A 94 14.365 -12.294 -45.025 1.00 0.00 H new ATOM 0 HD2 HIS A 94 14.802 -9.386 -44.700 1.00 0.00 H new ATOM 0 HE1 HIS A 94 11.689 -9.128 -41.852 1.00 0.00 H new ATOM 0 HE2 HIS A 94 13.190 -7.804 -43.502 1.00 0.00 H new ATOM 1482 N HIS A 95 12.907 -15.341 -43.805 1.00 0.00 N ATOM 1483 CA HIS A 95 12.524 -16.498 -44.597 1.00 0.00 C ATOM 1484 C HIS A 95 11.134 -16.974 -44.170 1.00 0.00 C ATOM 1485 O HIS A 95 11.010 -17.903 -43.373 1.00 0.00 O ATOM 1486 CB HIS A 95 13.583 -17.597 -44.501 1.00 0.00 C ATOM 1487 CG HIS A 95 13.406 -18.710 -45.506 1.00 0.00 C ATOM 1488 ND1 HIS A 95 12.550 -19.777 -45.300 1.00 0.00 N ATOM 1489 CD2 HIS A 95 13.984 -18.909 -46.726 1.00 0.00 C ATOM 1490 CE1 HIS A 95 12.617 -20.577 -46.354 1.00 0.00 C ATOM 1491 NE2 HIS A 95 13.507 -20.038 -47.236 1.00 0.00 N ATOM 0 H HIS A 95 12.305 -15.155 -43.003 1.00 0.00 H new ATOM 0 HA HIS A 95 12.468 -16.221 -45.650 1.00 0.00 H new ATOM 0 HB2 HIS A 95 14.568 -17.151 -44.638 1.00 0.00 H new ATOM 0 HB3 HIS A 95 13.562 -18.021 -43.497 1.00 0.00 H new ATOM 0 HD2 HIS A 95 14.707 -18.259 -47.197 1.00 0.00 H new ATOM 0 HE1 HIS A 95 12.064 -21.495 -46.491 1.00 0.00 H new ATOM 0 HE2 HIS A 95 13.764 -20.437 -48.139 1.00 0.00 H new ATOM 1499 N HIS A 96 10.124 -16.316 -44.719 1.00 0.00 N ATOM 1500 CA HIS A 96 8.748 -16.661 -44.405 1.00 0.00 C ATOM 1501 C HIS A 96 8.497 -18.132 -44.742 1.00 0.00 C ATOM 1502 O HIS A 96 9.264 -18.741 -45.487 1.00 0.00 O ATOM 1503 CB HIS A 96 7.775 -15.716 -45.114 1.00 0.00 C ATOM 1504 CG HIS A 96 7.380 -14.512 -44.292 1.00 0.00 C ATOM 1505 ND1 HIS A 96 8.300 -13.594 -43.817 1.00 0.00 N ATOM 1506 CD2 HIS A 96 6.156 -14.086 -43.868 1.00 0.00 C ATOM 1507 CE1 HIS A 96 7.647 -12.662 -43.138 1.00 0.00 C ATOM 1508 NE2 HIS A 96 6.319 -12.969 -43.170 1.00 0.00 N ATOM 0 H HIS A 96 10.231 -15.546 -45.379 1.00 0.00 H new ATOM 0 HA HIS A 96 8.573 -16.534 -43.337 1.00 0.00 H new ATOM 0 HB2 HIS A 96 8.229 -15.375 -46.045 1.00 0.00 H new ATOM 0 HB3 HIS A 96 6.876 -16.271 -45.382 1.00 0.00 H new ATOM 0 HD2 HIS A 96 5.214 -14.575 -44.067 1.00 0.00 H new ATOM 0 HE1 HIS A 96 8.089 -11.809 -42.646 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.574 -12.429 -42.730 1.00 0.00 H new ATOM 1516 N HIS A 97 7.421 -18.661 -44.178 1.00 0.00 N ATOM 1517 CA HIS A 97 7.060 -20.049 -44.410 1.00 0.00 C ATOM 1518 C HIS A 97 7.276 -20.396 -45.885 1.00 0.00 C ATOM 1519 O HIS A 97 7.925 -21.391 -46.203 1.00 0.00 O ATOM 1520 CB HIS A 97 5.630 -20.324 -43.940 1.00 0.00 C ATOM 1521 CG HIS A 97 4.593 -19.422 -44.565 1.00 0.00 C ATOM 1522 ND1 HIS A 97 3.796 -18.568 -43.823 1.00 0.00 N ATOM 1523 CD2 HIS A 97 4.233 -19.249 -45.869 1.00 0.00 C ATOM 1524 CE1 HIS A 97 2.995 -17.917 -44.653 1.00 0.00 C ATOM 1525 NE2 HIS A 97 3.266 -18.340 -45.920 1.00 0.00 N ATOM 0 H HIS A 97 6.787 -18.153 -43.561 1.00 0.00 H new ATOM 0 HA HIS A 97 7.706 -20.700 -43.821 1.00 0.00 H new ATOM 0 HB2 HIS A 97 5.378 -21.360 -44.165 1.00 0.00 H new ATOM 0 HB3 HIS A 97 5.587 -20.213 -42.856 1.00 0.00 H new ATOM 0 HD2 HIS A 97 4.661 -19.764 -46.716 1.00 0.00 H new ATOM 0 HE1 HIS A 97 2.256 -17.180 -44.375 1.00 0.00 H new ATOM 0 HE2 HIS A 97 2.803 -18.012 -46.768 1.00 0.00 H new TER 1533 HIS A 97