USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 864 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 70 ASN : amide:sc= -0.345 X(o=-0.35,f=-0.44) USER MOD Set 1.2: A 101 CYS SG : rot -104:sc= -0.0081 USER MOD Set 2.1: A 19 CYS SG : rot 29:sc= -1.32 USER MOD Set 2.2: A 21 MET CE :methyl -175:sc= -0.137 (180deg=-0.173) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0884 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 163:sc= -0.32 USER MOD Single : A 11 ASN : amide:sc=-0.00293 X(o=-0.0029,f=-0.0029) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -2.37 K(o=-2.4,f=-3) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.81) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.708 X(o=-0.71,f=-0.34) USER MOD Single : A 46 ASN : amide:sc= -0.108 K(o=-0.11,f=-0.82) USER MOD Single : A 51 THR OG1 : rot -130:sc= 0.72 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 CYS SG : rot -86:sc= 0.191 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0102 USER MOD Single : A 60 ASN : amide:sc= -3.19 K(o=-3.2,f=-0.94) USER MOD Single : A 64 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.794) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot -58:sc= 1.23 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2.4!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 57:sc= 0.0183 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -68:sc= 1.24 USER MOD Single : A 87 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.287) USER MOD Single : A 88 SER OG : rot 69:sc= 0.867 USER MOD Single : A 93 GLN : amide:sc= -0.381 K(o=-0.38,f=-3.3!) USER MOD Single : A 97 MET CE :methyl -169:sc= -2.01 (180deg=-2.29) USER MOD Single : A 99 HIS : no HD1:sc= -0.662 X(o=-0.66,f=-0.28) USER MOD Single : A 100 MET CE :methyl -137:sc= -0.142 (180deg=-2.82!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.00885) USER MOD Single : A 107 HIS : no HD1:sc= -0.0275 X(o=-0.028,f=-0.11) USER MOD Single : A 112 TYR OH : rot 180:sc= -0.0522 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.103 18.312 -22.498 1.00 0.00 N ATOM 2 CA GLY A 1 -9.570 19.145 -21.405 1.00 0.00 C ATOM 3 C GLY A 1 -8.634 19.115 -20.213 1.00 0.00 C ATOM 4 O GLY A 1 -7.548 18.539 -20.282 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.972 18.896 -23.348 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.197 17.872 -22.237 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.805 17.570 -22.693 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.676 20.172 -21.754 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.560 18.810 -21.094 1.00 0.00 H new ATOM 8 N SER A 2 -9.053 19.740 -19.117 1.00 0.00 N ATOM 9 CA SER A 2 -8.242 19.788 -17.906 1.00 0.00 C ATOM 10 C SER A 2 -8.927 19.045 -16.763 1.00 0.00 C ATOM 11 O SER A 2 -10.116 18.733 -16.835 1.00 0.00 O ATOM 12 CB SER A 2 -7.979 21.239 -17.501 1.00 0.00 C ATOM 13 OG SER A 2 -9.192 21.930 -17.260 1.00 0.00 O ATOM 0 H SER A 2 -9.950 20.220 -19.043 1.00 0.00 H new ATOM 0 HA SER A 2 -7.291 19.298 -18.116 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.359 21.263 -16.605 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.420 21.744 -18.289 1.00 0.00 H new ATOM 0 HG SER A 2 -8.996 22.855 -17.001 1.00 0.00 H new ATOM 19 N SER A 3 -8.168 18.764 -15.709 1.00 0.00 N ATOM 20 CA SER A 3 -8.700 18.054 -14.552 1.00 0.00 C ATOM 21 C SER A 3 -9.005 19.023 -13.413 1.00 0.00 C ATOM 22 O SER A 3 -9.546 18.634 -12.380 1.00 0.00 O ATOM 23 CB SER A 3 -7.706 16.991 -14.079 1.00 0.00 C ATOM 24 OG SER A 3 -6.370 17.411 -14.292 1.00 0.00 O ATOM 0 H SER A 3 -7.183 19.017 -15.632 1.00 0.00 H new ATOM 0 HA SER A 3 -9.628 17.567 -14.850 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.862 16.789 -13.019 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.886 16.057 -14.612 1.00 0.00 H new ATOM 0 HG SER A 3 -5.755 16.715 -13.980 1.00 0.00 H new ATOM 30 N GLY A 4 -8.653 20.290 -13.612 1.00 0.00 N ATOM 31 CA GLY A 4 -8.896 21.296 -12.595 1.00 0.00 C ATOM 32 C GLY A 4 -7.735 21.439 -11.631 1.00 0.00 C ATOM 33 O GLY A 4 -6.766 20.684 -11.700 1.00 0.00 O ATOM 0 H GLY A 4 -8.204 20.637 -14.459 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.085 22.256 -13.076 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.796 21.035 -12.038 1.00 0.00 H new ATOM 37 N SER A 5 -7.831 22.413 -10.731 1.00 0.00 N ATOM 38 CA SER A 5 -6.778 22.656 -9.753 1.00 0.00 C ATOM 39 C SER A 5 -7.356 22.750 -8.344 1.00 0.00 C ATOM 40 O SER A 5 -6.756 22.271 -7.382 1.00 0.00 O ATOM 41 CB SER A 5 -6.023 23.943 -10.094 1.00 0.00 C ATOM 42 OG SER A 5 -6.905 25.051 -10.151 1.00 0.00 O ATOM 0 H SER A 5 -8.627 23.046 -10.659 1.00 0.00 H new ATOM 0 HA SER A 5 -6.084 21.816 -9.787 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.252 24.126 -9.345 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.516 23.828 -11.052 1.00 0.00 H new ATOM 0 HG SER A 5 -6.399 25.861 -10.369 1.00 0.00 H new ATOM 48 N SER A 6 -8.525 23.372 -8.232 1.00 0.00 N ATOM 49 CA SER A 6 -9.184 23.534 -6.941 1.00 0.00 C ATOM 50 C SER A 6 -9.939 22.266 -6.554 1.00 0.00 C ATOM 51 O SER A 6 -10.682 21.703 -7.357 1.00 0.00 O ATOM 52 CB SER A 6 -10.147 24.722 -6.981 1.00 0.00 C ATOM 53 OG SER A 6 -10.413 25.206 -5.676 1.00 0.00 O ATOM 0 H SER A 6 -9.035 23.772 -9.019 1.00 0.00 H new ATOM 0 HA SER A 6 -8.416 23.723 -6.190 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.720 25.520 -7.588 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.080 24.422 -7.458 1.00 0.00 H new ATOM 0 HG SER A 6 -11.029 25.966 -5.728 1.00 0.00 H new ATOM 59 N GLY A 7 -9.743 21.822 -5.316 1.00 0.00 N ATOM 60 CA GLY A 7 -10.412 20.624 -4.843 1.00 0.00 C ATOM 61 C GLY A 7 -9.484 19.711 -4.066 1.00 0.00 C ATOM 62 O GLY A 7 -9.626 19.555 -2.853 1.00 0.00 O ATOM 0 H GLY A 7 -9.133 22.270 -4.632 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.253 20.907 -4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.823 20.081 -5.694 1.00 0.00 H new ATOM 66 N LYS A 8 -8.532 19.103 -4.765 1.00 0.00 N ATOM 67 CA LYS A 8 -7.577 18.200 -4.135 1.00 0.00 C ATOM 68 C LYS A 8 -6.829 18.901 -3.005 1.00 0.00 C ATOM 69 O LYS A 8 -6.467 20.073 -3.121 1.00 0.00 O ATOM 70 CB LYS A 8 -6.581 17.674 -5.170 1.00 0.00 C ATOM 71 CG LYS A 8 -7.113 16.511 -5.990 1.00 0.00 C ATOM 72 CD LYS A 8 -6.469 16.458 -7.366 1.00 0.00 C ATOM 73 CE LYS A 8 -6.926 15.235 -8.147 1.00 0.00 C ATOM 74 NZ LYS A 8 -6.223 15.119 -9.455 1.00 0.00 N ATOM 0 H LYS A 8 -8.401 19.220 -5.770 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.132 17.361 -3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.306 18.486 -5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.670 17.361 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.924 15.576 -5.462 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.194 16.604 -6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.720 17.361 -7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.384 16.440 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.744 14.337 -7.556 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.001 15.293 -8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.562 14.274 -9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.417 15.964 -10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.199 15.038 -9.293 1.00 0.00 H new ATOM 88 N ILE A 9 -6.598 18.177 -1.915 1.00 0.00 N ATOM 89 CA ILE A 9 -5.891 18.730 -0.767 1.00 0.00 C ATOM 90 C ILE A 9 -4.469 19.134 -1.140 1.00 0.00 C ATOM 91 O ILE A 9 -3.970 20.169 -0.696 1.00 0.00 O ATOM 92 CB ILE A 9 -5.838 17.725 0.399 1.00 0.00 C ATOM 93 CG1 ILE A 9 -7.250 17.276 0.778 1.00 0.00 C ATOM 94 CG2 ILE A 9 -5.132 18.340 1.597 1.00 0.00 C ATOM 95 CD1 ILE A 9 -7.719 16.052 0.022 1.00 0.00 C ATOM 0 H ILE A 9 -6.890 17.206 -1.803 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.446 19.613 -0.450 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.272 16.850 0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -7.281 17.067 1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.945 18.095 0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.103 17.617 2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.114 18.614 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.672 19.230 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.728 15.791 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.721 16.263 -1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.047 15.219 0.226 1.00 0.00 H new ATOM 107 N SER A 10 -3.822 18.313 -1.960 1.00 0.00 N ATOM 108 CA SER A 10 -2.455 18.584 -2.392 1.00 0.00 C ATOM 109 C SER A 10 -2.080 17.710 -3.585 1.00 0.00 C ATOM 110 O SER A 10 -2.893 16.930 -4.077 1.00 0.00 O ATOM 111 CB SER A 10 -1.477 18.343 -1.241 1.00 0.00 C ATOM 112 OG SER A 10 -0.175 18.792 -1.576 1.00 0.00 O ATOM 0 H SER A 10 -4.222 17.455 -2.339 1.00 0.00 H new ATOM 0 HA SER A 10 -2.396 19.629 -2.696 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.826 18.862 -0.348 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.448 17.280 -1.001 1.00 0.00 H new ATOM 0 HG SER A 10 0.359 18.884 -0.760 1.00 0.00 H new ATOM 118 N ASN A 11 -0.840 17.849 -4.045 1.00 0.00 N ATOM 119 CA ASN A 11 -0.355 17.073 -5.181 1.00 0.00 C ATOM 120 C ASN A 11 0.945 16.355 -4.834 1.00 0.00 C ATOM 121 O ASN A 11 1.763 16.072 -5.710 1.00 0.00 O ATOM 122 CB ASN A 11 -0.141 17.983 -6.392 1.00 0.00 C ATOM 123 CG ASN A 11 -1.209 19.054 -6.507 1.00 0.00 C ATOM 124 OD1 ASN A 11 -2.393 18.751 -6.651 1.00 0.00 O ATOM 125 ND2 ASN A 11 -0.793 20.313 -6.444 1.00 0.00 N ATOM 0 H ASN A 11 -0.154 18.491 -3.649 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.108 16.324 -5.426 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.838 18.457 -6.319 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.136 17.380 -7.300 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.466 21.077 -6.516 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.199 20.517 -6.324 1.00 0.00 H new ATOM 132 N ILE A 12 1.129 16.063 -3.550 1.00 0.00 N ATOM 133 CA ILE A 12 2.329 15.376 -3.088 1.00 0.00 C ATOM 134 C ILE A 12 2.495 14.030 -3.784 1.00 0.00 C ATOM 135 O ILE A 12 3.614 13.566 -4.004 1.00 0.00 O ATOM 136 CB ILE A 12 2.298 15.153 -1.564 1.00 0.00 C ATOM 137 CG1 ILE A 12 1.077 14.318 -1.174 1.00 0.00 C ATOM 138 CG2 ILE A 12 2.289 16.487 -0.834 1.00 0.00 C ATOM 139 CD1 ILE A 12 0.994 14.024 0.308 1.00 0.00 C ATOM 0 H ILE A 12 0.463 16.291 -2.812 1.00 0.00 H new ATOM 0 HA ILE A 12 3.175 16.017 -3.337 1.00 0.00 H new ATOM 0 HB ILE A 12 3.196 14.608 -1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.174 14.844 -1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.101 13.376 -1.722 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.267 16.313 0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.186 17.049 -1.092 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.407 17.056 -1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.104 13.429 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.880 13.471 0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.938 14.961 0.862 1.00 0.00 H new ATOM 151 N PHE A 13 1.373 13.407 -4.131 1.00 0.00 N ATOM 152 CA PHE A 13 1.393 12.113 -4.804 1.00 0.00 C ATOM 153 C PHE A 13 1.201 12.280 -6.308 1.00 0.00 C ATOM 154 O PHE A 13 0.863 11.327 -7.010 1.00 0.00 O ATOM 155 CB PHE A 13 0.303 11.202 -4.237 1.00 0.00 C ATOM 156 CG PHE A 13 0.472 10.903 -2.775 1.00 0.00 C ATOM 157 CD1 PHE A 13 1.722 10.603 -2.256 1.00 0.00 C ATOM 158 CD2 PHE A 13 -0.618 10.919 -1.920 1.00 0.00 C ATOM 159 CE1 PHE A 13 1.882 10.327 -0.911 1.00 0.00 C ATOM 160 CE2 PHE A 13 -0.464 10.645 -0.574 1.00 0.00 C ATOM 161 CZ PHE A 13 0.787 10.347 -0.069 1.00 0.00 C ATOM 0 H PHE A 13 0.439 13.777 -3.957 1.00 0.00 H new ATOM 0 HA PHE A 13 2.366 11.655 -4.628 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.669 11.670 -4.394 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.299 10.265 -4.793 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.581 10.585 -2.910 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.599 11.148 -2.310 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.862 10.096 -0.519 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.321 10.664 0.083 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.909 10.130 0.982 1.00 0.00 H new ATOM 171 N GLU A 14 1.418 13.498 -6.796 1.00 0.00 N ATOM 172 CA GLU A 14 1.267 13.790 -8.216 1.00 0.00 C ATOM 173 C GLU A 14 2.126 12.851 -9.059 1.00 0.00 C ATOM 174 O GLU A 14 3.335 12.744 -8.851 1.00 0.00 O ATOM 175 CB GLU A 14 1.648 15.243 -8.504 1.00 0.00 C ATOM 176 CG GLU A 14 1.361 15.676 -9.932 1.00 0.00 C ATOM 177 CD GLU A 14 2.474 15.300 -10.891 1.00 0.00 C ATOM 178 OE1 GLU A 14 3.480 14.720 -10.432 1.00 0.00 O ATOM 179 OE2 GLU A 14 2.339 15.585 -12.099 1.00 0.00 O ATOM 0 H GLU A 14 1.699 14.298 -6.228 1.00 0.00 H new ATOM 0 HA GLU A 14 0.221 13.636 -8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.105 15.895 -7.820 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.710 15.379 -8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.429 15.219 -10.266 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.214 16.756 -9.958 1.00 0.00 H new ATOM 186 N ASP A 15 1.492 12.173 -10.009 1.00 0.00 N ATOM 187 CA ASP A 15 2.197 11.243 -10.884 1.00 0.00 C ATOM 188 C ASP A 15 2.648 10.007 -10.113 1.00 0.00 C ATOM 189 O ASP A 15 3.718 9.455 -10.374 1.00 0.00 O ATOM 190 CB ASP A 15 3.405 11.928 -11.525 1.00 0.00 C ATOM 191 CG ASP A 15 3.991 11.121 -12.666 1.00 0.00 C ATOM 192 OD1 ASP A 15 3.232 10.759 -13.589 1.00 0.00 O ATOM 193 OD2 ASP A 15 5.210 10.851 -12.637 1.00 0.00 O ATOM 0 H ASP A 15 0.492 12.250 -10.193 1.00 0.00 H new ATOM 0 HA ASP A 15 1.509 10.929 -11.669 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.109 12.910 -11.893 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.172 12.090 -10.767 1.00 0.00 H new ATOM 198 N VAL A 16 1.827 9.577 -9.160 1.00 0.00 N ATOM 199 CA VAL A 16 2.141 8.406 -8.350 1.00 0.00 C ATOM 200 C VAL A 16 0.987 7.409 -8.355 1.00 0.00 C ATOM 201 O VAL A 16 -0.162 7.774 -8.106 1.00 0.00 O ATOM 202 CB VAL A 16 2.460 8.799 -6.896 1.00 0.00 C ATOM 203 CG1 VAL A 16 2.932 7.587 -6.106 1.00 0.00 C ATOM 204 CG2 VAL A 16 3.501 9.907 -6.860 1.00 0.00 C ATOM 0 H VAL A 16 0.939 10.023 -8.930 1.00 0.00 H new ATOM 0 HA VAL A 16 3.021 7.940 -8.794 1.00 0.00 H new ATOM 0 HB VAL A 16 1.548 9.173 -6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.153 7.884 -5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.150 6.827 -6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.832 7.180 -6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.714 10.172 -5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.416 9.563 -7.342 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.120 10.782 -7.387 1.00 0.00 H new ATOM 214 N GLU A 17 1.301 6.149 -8.639 1.00 0.00 N ATOM 215 CA GLU A 17 0.290 5.100 -8.675 1.00 0.00 C ATOM 216 C GLU A 17 0.288 4.301 -7.376 1.00 0.00 C ATOM 217 O GLU A 17 1.334 4.089 -6.762 1.00 0.00 O ATOM 218 CB GLU A 17 0.536 4.165 -9.862 1.00 0.00 C ATOM 219 CG GLU A 17 -0.729 3.513 -10.395 1.00 0.00 C ATOM 220 CD GLU A 17 -1.497 2.765 -9.323 1.00 0.00 C ATOM 221 OE1 GLU A 17 -1.002 1.715 -8.861 1.00 0.00 O ATOM 222 OE2 GLU A 17 -2.593 3.229 -8.945 1.00 0.00 O ATOM 0 H GLU A 17 2.247 5.830 -8.847 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.685 5.574 -8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.011 4.728 -10.665 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.237 3.386 -9.561 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.372 4.278 -10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.467 2.823 -11.197 1.00 0.00 H new ATOM 229 N PHE A 18 -0.896 3.860 -6.961 1.00 0.00 N ATOM 230 CA PHE A 18 -1.035 3.085 -5.733 1.00 0.00 C ATOM 231 C PHE A 18 -2.031 1.944 -5.921 1.00 0.00 C ATOM 232 O PHE A 18 -3.069 2.111 -6.562 1.00 0.00 O ATOM 233 CB PHE A 18 -1.488 3.988 -4.584 1.00 0.00 C ATOM 234 CG PHE A 18 -0.511 5.082 -4.260 1.00 0.00 C ATOM 235 CD1 PHE A 18 0.506 4.871 -3.343 1.00 0.00 C ATOM 236 CD2 PHE A 18 -0.609 6.320 -4.873 1.00 0.00 C ATOM 237 CE1 PHE A 18 1.406 5.876 -3.043 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.288 7.329 -4.577 1.00 0.00 C ATOM 239 CZ PHE A 18 1.298 7.106 -3.661 1.00 0.00 C ATOM 0 H PHE A 18 -1.772 4.026 -7.457 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.062 2.659 -5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.449 4.434 -4.840 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.647 3.378 -3.694 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.596 3.911 -2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.396 6.499 -5.591 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.194 5.699 -2.325 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.200 8.290 -5.061 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.001 7.892 -3.429 1.00 0.00 H new ATOM 249 N CYS A 19 -1.705 0.785 -5.358 1.00 0.00 N ATOM 250 CA CYS A 19 -2.570 -0.385 -5.464 1.00 0.00 C ATOM 251 C CYS A 19 -2.853 -0.978 -4.088 1.00 0.00 C ATOM 252 O CYS A 19 -2.040 -1.726 -3.543 1.00 0.00 O ATOM 253 CB CYS A 19 -1.926 -1.440 -6.365 1.00 0.00 C ATOM 254 SG CYS A 19 -3.112 -2.511 -7.211 1.00 0.00 S ATOM 0 H CYS A 19 -0.849 0.631 -4.824 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.516 -0.069 -5.905 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.309 -0.938 -7.111 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -1.259 -2.058 -5.764 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.223 -1.863 -7.402 1.00 0.00 H new ATOM 260 N VAL A 20 -4.010 -0.638 -3.529 1.00 0.00 N ATOM 261 CA VAL A 20 -4.400 -1.136 -2.216 1.00 0.00 C ATOM 262 C VAL A 20 -5.051 -2.511 -2.320 1.00 0.00 C ATOM 263 O VAL A 20 -5.779 -2.793 -3.272 1.00 0.00 O ATOM 264 CB VAL A 20 -5.376 -0.171 -1.517 1.00 0.00 C ATOM 265 CG1 VAL A 20 -5.659 -0.633 -0.095 1.00 0.00 C ATOM 266 CG2 VAL A 20 -4.820 1.246 -1.525 1.00 0.00 C ATOM 0 H VAL A 20 -4.694 -0.019 -3.965 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.488 -1.212 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.317 -0.172 -2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.350 0.061 0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.102 -1.629 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.727 -0.663 0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.522 1.915 -1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.865 1.265 -0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.674 1.574 -2.554 1.00 0.00 H new ATOM 276 N MET A 21 -4.784 -3.362 -1.336 1.00 0.00 N ATOM 277 CA MET A 21 -5.345 -4.708 -1.316 1.00 0.00 C ATOM 278 C MET A 21 -6.278 -4.891 -0.123 1.00 0.00 C ATOM 279 O MET A 21 -7.269 -5.617 -0.204 1.00 0.00 O ATOM 280 CB MET A 21 -4.226 -5.750 -1.268 1.00 0.00 C ATOM 281 CG MET A 21 -3.337 -5.745 -2.500 1.00 0.00 C ATOM 282 SD MET A 21 -4.076 -6.617 -3.894 1.00 0.00 S ATOM 283 CE MET A 21 -3.603 -5.548 -5.252 1.00 0.00 C ATOM 0 H MET A 21 -4.183 -3.144 -0.542 1.00 0.00 H new ATOM 0 HA MET A 21 -5.922 -4.847 -2.230 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.611 -5.570 -0.386 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.667 -6.740 -1.153 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.130 -4.715 -2.790 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.380 -6.206 -2.254 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.062 -5.906 -6.174 1.00 0.00 H new ATOM 0 HE2 MET A 21 -3.940 -4.532 -5.049 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.518 -5.555 -5.360 1.00 0.00 H new ATOM 293 N SER A 22 -5.955 -4.228 0.982 1.00 0.00 N ATOM 294 CA SER A 22 -6.762 -4.321 2.193 1.00 0.00 C ATOM 295 C SER A 22 -6.359 -3.246 3.199 1.00 0.00 C ATOM 296 O SER A 22 -5.299 -2.634 3.078 1.00 0.00 O ATOM 297 CB SER A 22 -6.615 -5.707 2.824 1.00 0.00 C ATOM 298 OG SER A 22 -5.253 -6.020 3.054 1.00 0.00 O ATOM 0 H SER A 22 -5.140 -3.620 1.064 1.00 0.00 H new ATOM 0 HA SER A 22 -7.805 -4.164 1.918 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.163 -5.742 3.765 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.058 -6.457 2.169 1.00 0.00 H new ATOM 0 HG SER A 22 -5.186 -6.910 3.459 1.00 0.00 H new ATOM 304 N GLY A 23 -7.215 -3.023 4.191 1.00 0.00 N ATOM 305 CA GLY A 23 -6.931 -2.022 5.204 1.00 0.00 C ATOM 306 C GLY A 23 -7.159 -2.540 6.610 1.00 0.00 C ATOM 307 O GLY A 23 -7.269 -3.747 6.826 1.00 0.00 O ATOM 0 H GLY A 23 -8.099 -3.517 4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.897 -1.692 5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.562 -1.149 5.035 1.00 0.00 H new ATOM 311 N THR A 24 -7.230 -1.625 7.572 1.00 0.00 N ATOM 312 CA THR A 24 -7.443 -1.995 8.965 1.00 0.00 C ATOM 313 C THR A 24 -8.794 -1.496 9.466 1.00 0.00 C ATOM 314 O THR A 24 -9.520 -0.811 8.745 1.00 0.00 O ATOM 315 CB THR A 24 -6.333 -1.433 9.872 1.00 0.00 C ATOM 316 OG1 THR A 24 -6.312 -0.003 9.792 1.00 0.00 O ATOM 317 CG2 THR A 24 -4.974 -1.988 9.473 1.00 0.00 C ATOM 0 H THR A 24 -7.143 -0.622 7.411 1.00 0.00 H new ATOM 0 HA THR A 24 -7.421 -3.084 9.009 1.00 0.00 H new ATOM 0 HB THR A 24 -6.544 -1.736 10.897 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.605 0.347 10.373 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.206 -1.576 10.128 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.984 -3.074 9.563 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.757 -1.712 8.441 1.00 0.00 H new ATOM 325 N ASP A 25 -9.126 -1.844 10.704 1.00 0.00 N ATOM 326 CA ASP A 25 -10.390 -1.430 11.302 1.00 0.00 C ATOM 327 C ASP A 25 -10.598 0.073 11.145 1.00 0.00 C ATOM 328 O ASP A 25 -11.516 0.513 10.453 1.00 0.00 O ATOM 329 CB ASP A 25 -10.427 -1.811 12.783 1.00 0.00 C ATOM 330 CG ASP A 25 -9.079 -1.644 13.458 1.00 0.00 C ATOM 331 OD1 ASP A 25 -8.203 -2.511 13.255 1.00 0.00 O ATOM 332 OD2 ASP A 25 -8.901 -0.646 14.187 1.00 0.00 O ATOM 0 H ASP A 25 -8.537 -2.412 11.313 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.197 -1.947 10.782 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.165 -1.194 13.295 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.753 -2.846 12.881 1.00 0.00 H new ATOM 337 N SER A 26 -9.742 0.855 11.794 1.00 0.00 N ATOM 338 CA SER A 26 -9.835 2.309 11.730 1.00 0.00 C ATOM 339 C SER A 26 -9.917 2.785 10.283 1.00 0.00 C ATOM 340 O SER A 26 -10.801 3.563 9.924 1.00 0.00 O ATOM 341 CB SER A 26 -8.631 2.949 12.422 1.00 0.00 C ATOM 342 OG SER A 26 -8.528 2.520 13.769 1.00 0.00 O ATOM 0 H SER A 26 -8.976 0.506 12.370 1.00 0.00 H new ATOM 0 HA SER A 26 -10.746 2.613 12.246 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.719 2.690 11.884 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.724 4.035 12.389 1.00 0.00 H new ATOM 0 HG SER A 26 -7.749 2.942 14.188 1.00 0.00 H new ATOM 348 N GLN A 27 -8.989 2.312 9.458 1.00 0.00 N ATOM 349 CA GLN A 27 -8.955 2.690 8.050 1.00 0.00 C ATOM 350 C GLN A 27 -9.298 1.501 7.159 1.00 0.00 C ATOM 351 O GLN A 27 -8.531 0.546 7.033 1.00 0.00 O ATOM 352 CB GLN A 27 -7.576 3.239 7.680 1.00 0.00 C ATOM 353 CG GLN A 27 -7.230 4.540 8.386 1.00 0.00 C ATOM 354 CD GLN A 27 -6.835 4.331 9.835 1.00 0.00 C ATOM 355 OE1 GLN A 27 -7.352 4.996 10.733 1.00 0.00 O ATOM 356 NE2 GLN A 27 -5.916 3.402 10.070 1.00 0.00 N ATOM 0 H GLN A 27 -8.251 1.667 9.740 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.702 3.468 7.891 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.820 2.492 7.922 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.534 3.398 6.602 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.412 5.029 7.857 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.087 5.213 8.340 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.514 2.875 9.295 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.612 3.216 11.026 1.00 0.00 H new ATOM 365 N PRO A 28 -10.479 1.557 6.524 1.00 0.00 N ATOM 366 CA PRO A 28 -10.951 0.493 5.634 1.00 0.00 C ATOM 367 C PRO A 28 -10.148 0.422 4.339 1.00 0.00 C ATOM 368 O PRO A 28 -9.367 1.322 4.031 1.00 0.00 O ATOM 369 CB PRO A 28 -12.400 0.890 5.343 1.00 0.00 C ATOM 370 CG PRO A 28 -12.434 2.367 5.536 1.00 0.00 C ATOM 371 CD PRO A 28 -11.444 2.665 6.628 1.00 0.00 C ATOM 0 HA PRO A 28 -10.848 -0.493 6.087 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.689 0.617 4.328 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.092 0.386 6.018 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.168 2.887 4.616 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.434 2.701 5.814 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.963 3.632 6.482 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.922 2.692 7.607 1.00 0.00 H new ATOM 379 N LYS A 29 -10.345 -0.653 3.584 1.00 0.00 N ATOM 380 CA LYS A 29 -9.641 -0.842 2.321 1.00 0.00 C ATOM 381 C LYS A 29 -9.773 0.393 1.435 1.00 0.00 C ATOM 382 O LYS A 29 -8.785 1.018 1.050 1.00 0.00 O ATOM 383 CB LYS A 29 -10.186 -2.070 1.588 1.00 0.00 C ATOM 384 CG LYS A 29 -10.119 -1.954 0.075 1.00 0.00 C ATOM 385 CD LYS A 29 -10.372 -3.292 -0.598 1.00 0.00 C ATOM 386 CE LYS A 29 -9.791 -3.328 -2.004 1.00 0.00 C ATOM 387 NZ LYS A 29 -10.751 -2.803 -3.014 1.00 0.00 N ATOM 0 H LYS A 29 -10.987 -1.408 3.825 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.585 -0.998 2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.624 -2.949 1.902 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.222 -2.231 1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.856 -1.228 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.139 -1.577 -0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.931 -4.090 -0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.445 -3.482 -0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.874 -2.739 -2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.520 -4.352 -2.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.318 -2.844 -3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.616 -3.381 -3.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.990 -1.817 -2.786 1.00 0.00 H new ATOM 401 N PRO A 30 -11.022 0.754 1.105 1.00 0.00 N ATOM 402 CA PRO A 30 -11.312 1.918 0.263 1.00 0.00 C ATOM 403 C PRO A 30 -11.013 3.235 0.971 1.00 0.00 C ATOM 404 O PRO A 30 -11.431 4.302 0.520 1.00 0.00 O ATOM 405 CB PRO A 30 -12.812 1.789 -0.016 1.00 0.00 C ATOM 406 CG PRO A 30 -13.344 1.003 1.132 1.00 0.00 C ATOM 407 CD PRO A 30 -12.246 0.055 1.529 1.00 0.00 C ATOM 0 HA PRO A 30 -10.697 1.934 -0.637 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.288 2.767 -0.081 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.996 1.281 -0.963 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.614 1.657 1.961 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.245 0.460 0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.248 -0.136 2.602 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.350 -0.910 1.033 1.00 0.00 H new ATOM 415 N ASP A 31 -10.288 3.154 2.080 1.00 0.00 N ATOM 416 CA ASP A 31 -9.932 4.340 2.850 1.00 0.00 C ATOM 417 C ASP A 31 -8.805 5.111 2.170 1.00 0.00 C ATOM 418 O ASP A 31 -8.908 6.318 1.950 1.00 0.00 O ATOM 419 CB ASP A 31 -9.515 3.948 4.268 1.00 0.00 C ATOM 420 CG ASP A 31 -9.489 5.133 5.213 1.00 0.00 C ATOM 421 OD1 ASP A 31 -9.855 6.245 4.779 1.00 0.00 O ATOM 422 OD2 ASP A 31 -9.102 4.949 6.386 1.00 0.00 O ATOM 0 H ASP A 31 -9.935 2.279 2.467 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.809 4.985 2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.205 3.196 4.652 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.527 3.489 4.239 1.00 0.00 H new ATOM 427 N LEU A 32 -7.728 4.406 1.840 1.00 0.00 N ATOM 428 CA LEU A 32 -6.580 5.024 1.186 1.00 0.00 C ATOM 429 C LEU A 32 -6.901 5.371 -0.264 1.00 0.00 C ATOM 430 O LEU A 32 -6.575 6.458 -0.739 1.00 0.00 O ATOM 431 CB LEU A 32 -5.371 4.088 1.242 1.00 0.00 C ATOM 432 CG LEU A 32 -5.153 3.352 2.565 1.00 0.00 C ATOM 433 CD1 LEU A 32 -4.499 2.001 2.322 1.00 0.00 C ATOM 434 CD2 LEU A 32 -4.308 4.194 3.510 1.00 0.00 C ATOM 0 H LEU A 32 -7.626 3.406 2.015 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.343 5.946 1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.474 3.347 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.476 4.669 1.021 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.124 3.184 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.352 1.492 3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.141 1.396 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.535 2.146 1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.163 3.655 4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.339 4.393 3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.816 5.138 3.709 1.00 0.00 H new ATOM 446 N GLU A 33 -7.545 4.440 -0.962 1.00 0.00 N ATOM 447 CA GLU A 33 -7.912 4.649 -2.357 1.00 0.00 C ATOM 448 C GLU A 33 -8.479 6.051 -2.567 1.00 0.00 C ATOM 449 O GLU A 33 -8.031 6.788 -3.444 1.00 0.00 O ATOM 450 CB GLU A 33 -8.935 3.602 -2.802 1.00 0.00 C ATOM 451 CG GLU A 33 -8.537 2.177 -2.454 1.00 0.00 C ATOM 452 CD GLU A 33 -9.235 1.149 -3.323 1.00 0.00 C ATOM 453 OE1 GLU A 33 -10.458 1.283 -3.537 1.00 0.00 O ATOM 454 OE2 GLU A 33 -8.557 0.209 -3.790 1.00 0.00 O ATOM 0 H GLU A 33 -7.823 3.534 -0.584 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.011 4.546 -2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.896 3.825 -2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.075 3.678 -3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.458 2.068 -2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.772 1.983 -1.408 1.00 0.00 H new ATOM 461 N ASN A 34 -9.468 6.410 -1.754 1.00 0.00 N ATOM 462 CA ASN A 34 -10.097 7.722 -1.851 1.00 0.00 C ATOM 463 C ASN A 34 -9.098 8.830 -1.531 1.00 0.00 C ATOM 464 O ASN A 34 -8.679 9.576 -2.416 1.00 0.00 O ATOM 465 CB ASN A 34 -11.293 7.808 -0.899 1.00 0.00 C ATOM 466 CG ASN A 34 -11.544 9.222 -0.414 1.00 0.00 C ATOM 467 OD1 ASN A 34 -11.691 10.148 -1.212 1.00 0.00 O ATOM 468 ND2 ASN A 34 -11.595 9.396 0.902 1.00 0.00 N ATOM 0 H ASN A 34 -9.850 5.811 -1.022 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.445 7.856 -2.875 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.184 7.437 -1.405 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.119 7.158 -0.041 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.762 10.326 1.287 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.468 8.600 1.527 1.00 0.00 H new ATOM 475 N ARG A 35 -8.721 8.930 -0.261 1.00 0.00 N ATOM 476 CA ARG A 35 -7.771 9.947 0.176 1.00 0.00 C ATOM 477 C ARG A 35 -6.658 10.129 -0.852 1.00 0.00 C ATOM 478 O ARG A 35 -6.459 11.224 -1.377 1.00 0.00 O ATOM 479 CB ARG A 35 -7.171 9.566 1.531 1.00 0.00 C ATOM 480 CG ARG A 35 -8.162 9.650 2.681 1.00 0.00 C ATOM 481 CD ARG A 35 -7.469 10.004 3.987 1.00 0.00 C ATOM 482 NE ARG A 35 -8.205 9.509 5.148 1.00 0.00 N ATOM 483 CZ ARG A 35 -7.844 9.748 6.404 1.00 0.00 C ATOM 484 NH1 ARG A 35 -6.762 10.472 6.660 1.00 0.00 N ATOM 485 NH2 ARG A 35 -8.565 9.264 7.407 1.00 0.00 N ATOM 0 H ARG A 35 -9.058 8.320 0.484 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.308 10.891 0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.780 8.550 1.473 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.326 10.221 1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.921 10.399 2.455 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.678 8.696 2.788 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.463 9.584 3.989 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.363 11.086 4.059 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.042 8.949 4.985 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.205 10.846 5.892 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.487 10.654 7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.398 8.707 7.214 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.286 9.448 8.371 1.00 0.00 H new ATOM 499 N ILE A 36 -5.937 9.049 -1.133 1.00 0.00 N ATOM 500 CA ILE A 36 -4.846 9.090 -2.098 1.00 0.00 C ATOM 501 C ILE A 36 -5.257 9.837 -3.362 1.00 0.00 C ATOM 502 O ILE A 36 -4.590 10.782 -3.781 1.00 0.00 O ATOM 503 CB ILE A 36 -4.380 7.673 -2.481 1.00 0.00 C ATOM 504 CG1 ILE A 36 -3.845 6.938 -1.251 1.00 0.00 C ATOM 505 CG2 ILE A 36 -3.317 7.740 -3.568 1.00 0.00 C ATOM 506 CD1 ILE A 36 -3.740 5.440 -1.439 1.00 0.00 C ATOM 0 H ILE A 36 -6.089 8.135 -0.706 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.021 9.618 -1.619 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.235 7.119 -2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.861 7.334 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.497 7.145 -0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.998 6.731 -3.828 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.730 8.229 -4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.461 8.309 -3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.354 4.985 -0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.726 5.031 -1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.064 5.224 -2.267 1.00 0.00 H new ATOM 518 N ALA A 37 -6.361 9.406 -3.964 1.00 0.00 N ATOM 519 CA ALA A 37 -6.864 10.037 -5.178 1.00 0.00 C ATOM 520 C ALA A 37 -7.094 11.529 -4.967 1.00 0.00 C ATOM 521 O ALA A 37 -7.024 12.317 -5.910 1.00 0.00 O ATOM 522 CB ALA A 37 -8.150 9.361 -5.630 1.00 0.00 C ATOM 0 H ALA A 37 -6.924 8.623 -3.631 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.111 9.919 -5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.515 9.842 -6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.956 8.307 -5.831 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.902 9.448 -4.846 1.00 0.00 H new ATOM 528 N GLU A 38 -7.370 11.911 -3.724 1.00 0.00 N ATOM 529 CA GLU A 38 -7.612 13.310 -3.391 1.00 0.00 C ATOM 530 C GLU A 38 -6.296 14.061 -3.208 1.00 0.00 C ATOM 531 O GLU A 38 -6.246 15.286 -3.328 1.00 0.00 O ATOM 532 CB GLU A 38 -8.453 13.415 -2.117 1.00 0.00 C ATOM 533 CG GLU A 38 -9.913 13.048 -2.320 1.00 0.00 C ATOM 534 CD GLU A 38 -10.635 14.013 -3.240 1.00 0.00 C ATOM 535 OE1 GLU A 38 -10.655 15.223 -2.935 1.00 0.00 O ATOM 536 OE2 GLU A 38 -11.181 13.556 -4.267 1.00 0.00 O ATOM 0 H GLU A 38 -7.432 11.272 -2.932 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.158 13.765 -4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.026 12.763 -1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.393 14.434 -1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.977 12.041 -2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.416 13.028 -1.353 1.00 0.00 H new ATOM 543 N PHE A 39 -5.233 13.319 -2.917 1.00 0.00 N ATOM 544 CA PHE A 39 -3.917 13.914 -2.717 1.00 0.00 C ATOM 545 C PHE A 39 -3.126 13.937 -4.021 1.00 0.00 C ATOM 546 O PHE A 39 -1.916 14.158 -4.022 1.00 0.00 O ATOM 547 CB PHE A 39 -3.141 13.139 -1.650 1.00 0.00 C ATOM 548 CG PHE A 39 -3.348 13.663 -0.258 1.00 0.00 C ATOM 549 CD1 PHE A 39 -4.541 13.439 0.410 1.00 0.00 C ATOM 550 CD2 PHE A 39 -2.350 14.381 0.382 1.00 0.00 C ATOM 551 CE1 PHE A 39 -4.735 13.920 1.692 1.00 0.00 C ATOM 552 CE2 PHE A 39 -2.539 14.864 1.663 1.00 0.00 C ATOM 553 CZ PHE A 39 -3.733 14.634 2.318 1.00 0.00 C ATOM 0 H PHE A 39 -5.257 12.304 -2.814 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.058 14.941 -2.380 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.441 12.092 -1.683 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.078 13.174 -1.888 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.329 12.882 -0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.415 14.565 -0.126 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.669 13.737 2.203 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.753 15.421 2.152 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.883 15.012 3.319 1.00 0.00 H new ATOM 563 N GLY A 40 -3.820 13.706 -5.132 1.00 0.00 N ATOM 564 CA GLY A 40 -3.167 13.704 -6.428 1.00 0.00 C ATOM 565 C GLY A 40 -2.480 12.387 -6.729 1.00 0.00 C ATOM 566 O GLY A 40 -1.372 12.364 -7.261 1.00 0.00 O ATOM 0 H GLY A 40 -4.823 13.520 -5.157 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.905 13.911 -7.203 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.433 14.509 -6.463 1.00 0.00 H new ATOM 570 N GLY A 41 -3.141 11.285 -6.385 1.00 0.00 N ATOM 571 CA GLY A 41 -2.571 9.972 -6.628 1.00 0.00 C ATOM 572 C GLY A 41 -3.489 9.084 -7.444 1.00 0.00 C ATOM 573 O GLY A 41 -4.690 9.337 -7.535 1.00 0.00 O ATOM 0 H GLY A 41 -4.060 11.278 -5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.620 10.083 -7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.357 9.490 -5.674 1.00 0.00 H new ATOM 577 N TYR A 42 -2.923 8.040 -8.040 1.00 0.00 N ATOM 578 CA TYR A 42 -3.698 7.113 -8.856 1.00 0.00 C ATOM 579 C TYR A 42 -4.002 5.832 -8.085 1.00 0.00 C ATOM 580 O TYR A 42 -3.252 5.440 -7.191 1.00 0.00 O ATOM 581 CB TYR A 42 -2.942 6.779 -10.143 1.00 0.00 C ATOM 582 CG TYR A 42 -3.847 6.461 -11.312 1.00 0.00 C ATOM 583 CD1 TYR A 42 -4.447 7.476 -12.047 1.00 0.00 C ATOM 584 CD2 TYR A 42 -4.102 5.146 -11.680 1.00 0.00 C ATOM 585 CE1 TYR A 42 -5.275 7.190 -13.115 1.00 0.00 C ATOM 586 CE2 TYR A 42 -4.928 4.851 -12.748 1.00 0.00 C ATOM 587 CZ TYR A 42 -5.512 5.877 -13.462 1.00 0.00 C ATOM 588 OH TYR A 42 -6.336 5.587 -14.525 1.00 0.00 O ATOM 0 H TYR A 42 -1.930 7.815 -7.973 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.642 7.595 -9.111 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.303 7.621 -10.408 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.287 5.927 -9.959 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -4.263 8.506 -11.779 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.647 4.341 -11.122 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.734 7.991 -13.675 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.115 3.823 -13.022 1.00 0.00 H new ATOM 0 HH TYR A 42 -6.396 4.615 -14.637 1.00 0.00 H new ATOM 598 N ILE A 43 -5.108 5.186 -8.439 1.00 0.00 N ATOM 599 CA ILE A 43 -5.511 3.948 -7.783 1.00 0.00 C ATOM 600 C ILE A 43 -6.028 2.932 -8.796 1.00 0.00 C ATOM 601 O ILE A 43 -6.933 3.223 -9.577 1.00 0.00 O ATOM 602 CB ILE A 43 -6.602 4.202 -6.726 1.00 0.00 C ATOM 603 CG1 ILE A 43 -6.113 5.216 -5.689 1.00 0.00 C ATOM 604 CG2 ILE A 43 -7.000 2.898 -6.052 1.00 0.00 C ATOM 605 CD1 ILE A 43 -4.928 4.731 -4.883 1.00 0.00 C ATOM 0 H ILE A 43 -5.740 5.499 -9.176 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.624 3.548 -7.291 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.480 4.614 -7.224 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.842 6.142 -6.197 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.932 5.453 -5.010 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.772 3.094 -5.308 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.385 2.205 -6.800 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.129 2.460 -5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.635 5.500 -4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.200 3.822 -4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.094 4.521 -5.553 1.00 0.00 H new ATOM 617 N VAL A 44 -5.447 1.736 -8.775 1.00 0.00 N ATOM 618 CA VAL A 44 -5.849 0.674 -9.689 1.00 0.00 C ATOM 619 C VAL A 44 -6.313 -0.561 -8.926 1.00 0.00 C ATOM 620 O VAL A 44 -6.364 -0.560 -7.696 1.00 0.00 O ATOM 621 CB VAL A 44 -4.698 0.280 -10.633 1.00 0.00 C ATOM 622 CG1 VAL A 44 -4.426 1.390 -11.636 1.00 0.00 C ATOM 623 CG2 VAL A 44 -3.445 -0.049 -9.835 1.00 0.00 C ATOM 0 H VAL A 44 -4.696 1.479 -8.134 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.677 1.063 -10.282 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.993 -0.611 -11.186 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.610 1.093 -12.294 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.322 1.572 -12.229 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.151 2.301 -11.105 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.641 -0.325 -10.517 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.144 0.823 -9.254 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.651 -0.881 -9.161 1.00 0.00 H new ATOM 633 N GLN A 45 -6.649 -1.614 -9.664 1.00 0.00 N ATOM 634 CA GLN A 45 -7.108 -2.857 -9.056 1.00 0.00 C ATOM 635 C GLN A 45 -5.973 -3.872 -8.966 1.00 0.00 C ATOM 636 O GLN A 45 -5.723 -4.446 -7.907 1.00 0.00 O ATOM 637 CB GLN A 45 -8.270 -3.444 -9.860 1.00 0.00 C ATOM 638 CG GLN A 45 -9.623 -2.863 -9.487 1.00 0.00 C ATOM 639 CD GLN A 45 -9.683 -1.359 -9.669 1.00 0.00 C ATOM 640 OE1 GLN A 45 -10.011 -0.865 -10.748 1.00 0.00 O ATOM 641 NE2 GLN A 45 -9.365 -0.621 -8.612 1.00 0.00 N ATOM 0 H GLN A 45 -6.612 -1.631 -10.683 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.450 -2.632 -8.046 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.090 -3.272 -10.921 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.294 -4.524 -9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.396 -3.330 -10.098 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.846 -3.109 -8.449 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.099 -1.072 -7.737 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.387 0.397 -8.675 1.00 0.00 H new ATOM 650 N ASN A 46 -5.288 -4.087 -10.084 1.00 0.00 N ATOM 651 CA ASN A 46 -4.179 -5.033 -10.132 1.00 0.00 C ATOM 652 C ASN A 46 -2.861 -4.313 -10.398 1.00 0.00 C ATOM 653 O ASN A 46 -2.768 -3.433 -11.253 1.00 0.00 O ATOM 654 CB ASN A 46 -4.426 -6.086 -11.214 1.00 0.00 C ATOM 655 CG ASN A 46 -4.626 -5.470 -12.585 1.00 0.00 C ATOM 656 OD1 ASN A 46 -3.667 -5.063 -13.241 1.00 0.00 O ATOM 657 ND2 ASN A 46 -5.878 -5.398 -13.024 1.00 0.00 N ATOM 0 H ASN A 46 -5.481 -3.619 -10.969 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.113 -5.527 -9.163 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.581 -6.774 -11.247 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.305 -6.674 -10.951 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.075 -4.993 -13.939 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.642 -5.748 -12.446 1.00 0.00 H new ATOM 664 N PRO A 47 -1.816 -4.696 -9.649 1.00 0.00 N ATOM 665 CA PRO A 47 -0.484 -4.100 -9.786 1.00 0.00 C ATOM 666 C PRO A 47 0.191 -4.486 -11.098 1.00 0.00 C ATOM 667 O PRO A 47 0.112 -5.633 -11.534 1.00 0.00 O ATOM 668 CB PRO A 47 0.288 -4.680 -8.598 1.00 0.00 C ATOM 669 CG PRO A 47 -0.404 -5.962 -8.286 1.00 0.00 C ATOM 670 CD PRO A 47 -1.855 -5.739 -8.610 1.00 0.00 C ATOM 0 HA PRO A 47 -0.524 -3.011 -9.796 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.335 -4.847 -8.850 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.269 -4.002 -7.745 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.006 -6.781 -8.877 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.275 -6.230 -7.237 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.330 -6.650 -8.973 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.417 -5.413 -7.735 1.00 0.00 H new ATOM 678 N GLY A 48 0.855 -3.518 -11.724 1.00 0.00 N ATOM 679 CA GLY A 48 1.534 -3.777 -12.980 1.00 0.00 C ATOM 680 C GLY A 48 2.861 -3.051 -13.082 1.00 0.00 C ATOM 681 O GLY A 48 3.461 -2.666 -12.078 1.00 0.00 O ATOM 0 H GLY A 48 0.934 -2.560 -11.383 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.701 -4.849 -13.085 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.892 -3.472 -13.806 1.00 0.00 H new ATOM 685 N PRO A 49 3.340 -2.856 -14.319 1.00 0.00 N ATOM 686 CA PRO A 49 4.611 -2.172 -14.578 1.00 0.00 C ATOM 687 C PRO A 49 4.540 -0.681 -14.265 1.00 0.00 C ATOM 688 O PRO A 49 5.552 -0.056 -13.947 1.00 0.00 O ATOM 689 CB PRO A 49 4.834 -2.394 -16.076 1.00 0.00 C ATOM 690 CG PRO A 49 3.469 -2.597 -16.637 1.00 0.00 C ATOM 691 CD PRO A 49 2.678 -3.289 -15.561 1.00 0.00 C ATOM 0 HA PRO A 49 5.416 -2.556 -13.952 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.327 -1.536 -16.534 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.469 -3.261 -16.257 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.012 -1.645 -16.906 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.506 -3.201 -17.544 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.629 -2.994 -15.581 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.707 -4.373 -15.675 1.00 0.00 H new ATOM 699 N ASP A 50 3.340 -0.119 -14.356 1.00 0.00 N ATOM 700 CA ASP A 50 3.138 1.299 -14.080 1.00 0.00 C ATOM 701 C ASP A 50 2.588 1.506 -12.673 1.00 0.00 C ATOM 702 O ASP A 50 1.718 2.350 -12.452 1.00 0.00 O ATOM 703 CB ASP A 50 2.185 1.909 -15.109 1.00 0.00 C ATOM 704 CG ASP A 50 0.929 1.080 -15.298 1.00 0.00 C ATOM 705 OD1 ASP A 50 0.972 0.111 -16.084 1.00 0.00 O ATOM 706 OD2 ASP A 50 -0.096 1.402 -14.661 1.00 0.00 O ATOM 0 H ASP A 50 2.493 -0.623 -14.618 1.00 0.00 H new ATOM 0 HA ASP A 50 4.104 1.799 -14.149 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.909 2.915 -14.793 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.700 2.006 -16.065 1.00 0.00 H new ATOM 711 N THR A 51 3.099 0.730 -11.723 1.00 0.00 N ATOM 712 CA THR A 51 2.658 0.826 -10.337 1.00 0.00 C ATOM 713 C THR A 51 3.831 1.111 -9.405 1.00 0.00 C ATOM 714 O THR A 51 4.872 0.459 -9.485 1.00 0.00 O ATOM 715 CB THR A 51 1.956 -0.466 -9.880 1.00 0.00 C ATOM 716 OG1 THR A 51 0.863 -0.766 -10.755 1.00 0.00 O ATOM 717 CG2 THR A 51 1.447 -0.330 -8.453 1.00 0.00 C ATOM 0 H THR A 51 3.820 0.027 -11.888 1.00 0.00 H new ATOM 0 HA THR A 51 1.949 1.653 -10.288 1.00 0.00 H new ATOM 0 HB THR A 51 2.682 -1.279 -9.914 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.058 -0.941 -10.225 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.955 -1.255 -8.153 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.285 -0.131 -7.785 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.736 0.494 -8.397 1.00 0.00 H new ATOM 725 N TYR A 52 3.654 2.087 -8.522 1.00 0.00 N ATOM 726 CA TYR A 52 4.699 2.459 -7.575 1.00 0.00 C ATOM 727 C TYR A 52 4.903 1.365 -6.531 1.00 0.00 C ATOM 728 O TYR A 52 6.025 0.914 -6.299 1.00 0.00 O ATOM 729 CB TYR A 52 4.345 3.778 -6.885 1.00 0.00 C ATOM 730 CG TYR A 52 5.469 4.342 -6.045 1.00 0.00 C ATOM 731 CD1 TYR A 52 6.768 4.400 -6.535 1.00 0.00 C ATOM 732 CD2 TYR A 52 5.231 4.819 -4.762 1.00 0.00 C ATOM 733 CE1 TYR A 52 7.797 4.914 -5.771 1.00 0.00 C ATOM 734 CE2 TYR A 52 6.254 5.336 -3.991 1.00 0.00 C ATOM 735 CZ TYR A 52 7.536 5.381 -4.500 1.00 0.00 C ATOM 736 OH TYR A 52 8.558 5.895 -3.736 1.00 0.00 O ATOM 0 H TYR A 52 2.797 2.635 -8.442 1.00 0.00 H new ATOM 0 HA TYR A 52 5.629 2.585 -8.130 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.065 4.511 -7.642 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.471 3.624 -6.252 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.976 4.037 -7.531 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.229 4.785 -4.361 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.801 4.950 -6.167 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.052 5.703 -2.996 1.00 0.00 H new ATOM 0 HH TYR A 52 8.205 6.181 -2.868 1.00 0.00 H new ATOM 746 N CYS A 53 3.810 0.943 -5.905 1.00 0.00 N ATOM 747 CA CYS A 53 3.867 -0.098 -4.885 1.00 0.00 C ATOM 748 C CYS A 53 2.465 -0.566 -4.506 1.00 0.00 C ATOM 749 O CYS A 53 1.469 0.029 -4.918 1.00 0.00 O ATOM 750 CB CYS A 53 4.599 0.414 -3.644 1.00 0.00 C ATOM 751 SG CYS A 53 3.815 1.843 -2.861 1.00 0.00 S ATOM 0 H CYS A 53 2.874 1.306 -6.086 1.00 0.00 H new ATOM 0 HA CYS A 53 4.415 -0.946 -5.297 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.666 -0.394 -2.916 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.619 0.679 -3.921 1.00 0.00 H new ATOM 0 HG CYS A 53 4.230 2.934 -3.434 1.00 0.00 H new ATOM 757 N VAL A 54 2.396 -1.636 -3.721 1.00 0.00 N ATOM 758 CA VAL A 54 1.117 -2.184 -3.287 1.00 0.00 C ATOM 759 C VAL A 54 0.931 -2.022 -1.783 1.00 0.00 C ATOM 760 O VAL A 54 1.843 -2.296 -1.002 1.00 0.00 O ATOM 761 CB VAL A 54 0.993 -3.676 -3.651 1.00 0.00 C ATOM 762 CG1 VAL A 54 -0.305 -4.253 -3.107 1.00 0.00 C ATOM 763 CG2 VAL A 54 1.081 -3.866 -5.158 1.00 0.00 C ATOM 0 H VAL A 54 3.211 -2.141 -3.373 1.00 0.00 H new ATOM 0 HA VAL A 54 0.340 -1.625 -3.808 1.00 0.00 H new ATOM 0 HB VAL A 54 1.822 -4.214 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.375 -5.307 -3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.322 -4.152 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.150 -3.714 -3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.992 -4.926 -5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.274 -3.316 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.040 -3.493 -5.516 1.00 0.00 H new ATOM 773 N ILE A 55 -0.255 -1.576 -1.384 1.00 0.00 N ATOM 774 CA ILE A 55 -0.560 -1.379 0.028 1.00 0.00 C ATOM 775 C ILE A 55 -1.417 -2.519 0.569 1.00 0.00 C ATOM 776 O ILE A 55 -2.411 -2.906 -0.043 1.00 0.00 O ATOM 777 CB ILE A 55 -1.293 -0.045 0.265 1.00 0.00 C ATOM 778 CG1 ILE A 55 -0.511 1.110 -0.365 1.00 0.00 C ATOM 779 CG2 ILE A 55 -1.492 0.193 1.754 1.00 0.00 C ATOM 780 CD1 ILE A 55 0.850 1.330 0.259 1.00 0.00 C ATOM 0 H ILE A 55 -1.020 -1.344 -2.018 1.00 0.00 H new ATOM 0 HA ILE A 55 0.393 -1.360 0.557 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.273 -0.097 -0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.386 0.915 -1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.095 2.026 -0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.011 1.139 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.086 -0.618 2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.522 0.228 2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.347 2.164 -0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.732 1.556 1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.452 0.429 0.145 1.00 0.00 H new ATOM 792 N ALA A 56 -1.024 -3.050 1.722 1.00 0.00 N ATOM 793 CA ALA A 56 -1.757 -4.143 2.349 1.00 0.00 C ATOM 794 C ALA A 56 -1.605 -4.108 3.865 1.00 0.00 C ATOM 795 O ALA A 56 -0.500 -4.241 4.391 1.00 0.00 O ATOM 796 CB ALA A 56 -1.283 -5.480 1.799 1.00 0.00 C ATOM 0 H ALA A 56 -0.202 -2.741 2.241 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.814 -4.020 2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.839 -6.287 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.451 -5.511 0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.219 -5.601 2.004 1.00 0.00 H new ATOM 802 N GLY A 57 -2.722 -3.929 4.564 1.00 0.00 N ATOM 803 CA GLY A 57 -2.690 -3.879 6.014 1.00 0.00 C ATOM 804 C GLY A 57 -2.262 -5.196 6.630 1.00 0.00 C ATOM 805 O GLY A 57 -1.628 -5.218 7.685 1.00 0.00 O ATOM 0 H GLY A 57 -3.648 -3.818 4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.005 -3.093 6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.678 -3.611 6.387 1.00 0.00 H new ATOM 809 N SER A 58 -2.609 -6.296 5.971 1.00 0.00 N ATOM 810 CA SER A 58 -2.262 -7.624 6.464 1.00 0.00 C ATOM 811 C SER A 58 -2.136 -8.616 5.311 1.00 0.00 C ATOM 812 O SER A 58 -2.681 -8.397 4.229 1.00 0.00 O ATOM 813 CB SER A 58 -3.315 -8.114 7.460 1.00 0.00 C ATOM 814 OG SER A 58 -2.955 -9.372 8.004 1.00 0.00 O ATOM 0 H SER A 58 -3.130 -6.294 5.094 1.00 0.00 H new ATOM 0 HA SER A 58 -1.299 -7.556 6.969 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.427 -7.386 8.263 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.282 -8.192 6.963 1.00 0.00 H new ATOM 0 HG SER A 58 -3.643 -9.663 8.639 1.00 0.00 H new ATOM 820 N GLU A 59 -1.414 -9.705 5.551 1.00 0.00 N ATOM 821 CA GLU A 59 -1.216 -10.730 4.533 1.00 0.00 C ATOM 822 C GLU A 59 -2.539 -11.396 4.167 1.00 0.00 C ATOM 823 O GLU A 59 -3.074 -12.199 4.929 1.00 0.00 O ATOM 824 CB GLU A 59 -0.221 -11.784 5.025 1.00 0.00 C ATOM 825 CG GLU A 59 1.231 -11.415 4.773 1.00 0.00 C ATOM 826 CD GLU A 59 2.197 -12.472 5.271 1.00 0.00 C ATOM 827 OE1 GLU A 59 2.052 -13.645 4.870 1.00 0.00 O ATOM 828 OE2 GLU A 59 3.098 -12.125 6.064 1.00 0.00 O ATOM 0 H GLU A 59 -0.956 -9.901 6.441 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.813 -10.248 3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.367 -11.939 6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.437 -12.733 4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.383 -11.264 3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.451 -10.467 5.264 1.00 0.00 H new ATOM 835 N ASN A 60 -3.062 -11.054 2.993 1.00 0.00 N ATOM 836 CA ASN A 60 -4.323 -11.617 2.525 1.00 0.00 C ATOM 837 C ASN A 60 -4.130 -12.363 1.208 1.00 0.00 C ATOM 838 O ASN A 60 -3.142 -12.154 0.504 1.00 0.00 O ATOM 839 CB ASN A 60 -5.365 -10.511 2.350 1.00 0.00 C ATOM 840 CG ASN A 60 -6.532 -10.947 1.484 1.00 0.00 C ATOM 841 OD1 ASN A 60 -7.456 -11.609 1.956 1.00 0.00 O ATOM 842 ND2 ASN A 60 -6.493 -10.577 0.209 1.00 0.00 N ATOM 0 H ASN A 60 -2.632 -10.390 2.349 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.677 -12.325 3.274 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.736 -10.207 3.329 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.891 -9.637 1.903 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.249 -10.842 -0.422 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.707 -10.028 -0.139 1.00 0.00 H new ATOM 849 N ILE A 61 -5.081 -13.233 0.883 1.00 0.00 N ATOM 850 CA ILE A 61 -5.016 -14.008 -0.349 1.00 0.00 C ATOM 851 C ILE A 61 -4.480 -13.166 -1.502 1.00 0.00 C ATOM 852 O ILE A 61 -3.402 -13.436 -2.032 1.00 0.00 O ATOM 853 CB ILE A 61 -6.399 -14.566 -0.736 1.00 0.00 C ATOM 854 CG1 ILE A 61 -6.893 -15.547 0.328 1.00 0.00 C ATOM 855 CG2 ILE A 61 -6.335 -15.241 -2.098 1.00 0.00 C ATOM 856 CD1 ILE A 61 -5.810 -16.458 0.860 1.00 0.00 C ATOM 0 H ILE A 61 -5.905 -13.418 1.456 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.336 -14.839 -0.163 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.105 -13.738 -0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.323 -14.985 1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.693 -16.155 -0.094 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.319 -15.630 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.022 -14.516 -2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.618 -16.061 -2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.233 -17.126 1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.396 -17.047 0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.020 -15.859 1.312 1.00 0.00 H new ATOM 868 N ARG A 62 -5.238 -12.143 -1.883 1.00 0.00 N ATOM 869 CA ARG A 62 -4.839 -11.260 -2.972 1.00 0.00 C ATOM 870 C ARG A 62 -3.378 -10.844 -2.827 1.00 0.00 C ATOM 871 O ARG A 62 -2.551 -11.127 -3.695 1.00 0.00 O ATOM 872 CB ARG A 62 -5.732 -10.019 -3.005 1.00 0.00 C ATOM 873 CG ARG A 62 -7.102 -10.271 -3.613 1.00 0.00 C ATOM 874 CD ARG A 62 -6.992 -10.832 -5.022 1.00 0.00 C ATOM 875 NE ARG A 62 -6.905 -12.290 -5.025 1.00 0.00 N ATOM 876 CZ ARG A 62 -7.878 -13.085 -4.593 1.00 0.00 C ATOM 877 NH1 ARG A 62 -9.005 -12.565 -4.126 1.00 0.00 N ATOM 878 NH2 ARG A 62 -7.724 -14.402 -4.628 1.00 0.00 N ATOM 0 H ARG A 62 -6.132 -11.905 -1.453 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.953 -11.806 -3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.858 -9.645 -1.989 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.230 -9.236 -3.573 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.657 -10.968 -2.985 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.669 -9.340 -3.634 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.858 -10.519 -5.605 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.111 -10.415 -5.510 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.051 -12.721 -5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.126 -11.553 -4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.750 -13.177 -3.795 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.858 -14.805 -4.987 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.471 -15.012 -4.296 1.00 0.00 H new ATOM 892 N VAL A 63 -3.066 -10.171 -1.724 1.00 0.00 N ATOM 893 CA VAL A 63 -1.705 -9.716 -1.464 1.00 0.00 C ATOM 894 C VAL A 63 -0.693 -10.821 -1.749 1.00 0.00 C ATOM 895 O VAL A 63 0.352 -10.580 -2.353 1.00 0.00 O ATOM 896 CB VAL A 63 -1.539 -9.246 -0.007 1.00 0.00 C ATOM 897 CG1 VAL A 63 -0.117 -8.766 0.240 1.00 0.00 C ATOM 898 CG2 VAL A 63 -2.544 -8.151 0.317 1.00 0.00 C ATOM 0 H VAL A 63 -3.738 -9.929 -0.996 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.519 -8.875 -2.132 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.732 -10.091 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.018 -8.438 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.581 -9.582 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.107 -7.934 -0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.413 -7.831 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.385 -7.303 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.556 -8.534 0.182 1.00 0.00 H new ATOM 908 N LYS A 64 -1.011 -12.034 -1.310 1.00 0.00 N ATOM 909 CA LYS A 64 -0.131 -13.178 -1.518 1.00 0.00 C ATOM 910 C LYS A 64 0.275 -13.292 -2.984 1.00 0.00 C ATOM 911 O LYS A 64 1.462 -13.336 -3.307 1.00 0.00 O ATOM 912 CB LYS A 64 -0.822 -14.467 -1.068 1.00 0.00 C ATOM 913 CG LYS A 64 0.141 -15.533 -0.574 1.00 0.00 C ATOM 914 CD LYS A 64 -0.586 -16.817 -0.213 1.00 0.00 C ATOM 915 CE LYS A 64 0.381 -17.891 0.260 1.00 0.00 C ATOM 916 NZ LYS A 64 1.194 -18.439 -0.862 1.00 0.00 N ATOM 0 H LYS A 64 -1.872 -12.250 -0.808 1.00 0.00 H new ATOM 0 HA LYS A 64 0.768 -13.027 -0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.529 -14.232 -0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.400 -14.869 -1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.884 -15.739 -1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.680 -15.162 0.298 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.317 -16.615 0.569 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.138 -17.180 -1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.043 -17.475 1.019 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.177 -18.699 0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.295 -19.468 -0.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.721 -18.236 -1.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.135 -17.996 -0.857 1.00 0.00 H new ATOM 930 N ASN A 65 -0.717 -13.337 -3.867 1.00 0.00 N ATOM 931 CA ASN A 65 -0.461 -13.444 -5.299 1.00 0.00 C ATOM 932 C ASN A 65 0.633 -12.473 -5.731 1.00 0.00 C ATOM 933 O ASN A 65 1.526 -12.831 -6.499 1.00 0.00 O ATOM 934 CB ASN A 65 -1.743 -13.170 -6.089 1.00 0.00 C ATOM 935 CG ASN A 65 -2.557 -14.427 -6.324 1.00 0.00 C ATOM 936 OD1 ASN A 65 -2.500 -15.026 -7.398 1.00 0.00 O ATOM 937 ND2 ASN A 65 -3.323 -14.833 -5.317 1.00 0.00 N ATOM 0 H ASN A 65 -1.705 -13.301 -3.617 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.123 -14.459 -5.507 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.350 -12.443 -5.550 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.486 -12.722 -7.049 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.894 -15.672 -5.417 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.340 -14.306 -4.444 1.00 0.00 H new ATOM 944 N ILE A 66 0.557 -11.244 -5.231 1.00 0.00 N ATOM 945 CA ILE A 66 1.542 -10.223 -5.563 1.00 0.00 C ATOM 946 C ILE A 66 2.907 -10.562 -4.973 1.00 0.00 C ATOM 947 O ILE A 66 3.938 -10.370 -5.618 1.00 0.00 O ATOM 948 CB ILE A 66 1.107 -8.835 -5.056 1.00 0.00 C ATOM 949 CG1 ILE A 66 -0.217 -8.423 -5.703 1.00 0.00 C ATOM 950 CG2 ILE A 66 2.187 -7.803 -5.344 1.00 0.00 C ATOM 951 CD1 ILE A 66 -1.417 -9.151 -5.140 1.00 0.00 C ATOM 0 H ILE A 66 -0.176 -10.932 -4.595 1.00 0.00 H new ATOM 0 HA ILE A 66 1.615 -10.198 -6.650 1.00 0.00 H new ATOM 0 HB ILE A 66 0.961 -8.888 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.358 -7.350 -5.571 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.161 -8.607 -6.776 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.865 -6.828 -4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.110 -8.092 -4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.362 -7.749 -6.419 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.320 -8.809 -5.645 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.298 -10.223 -5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.499 -8.946 -4.072 1.00 0.00 H new ATOM 963 N ILE A 67 2.905 -11.069 -3.745 1.00 0.00 N ATOM 964 CA ILE A 67 4.143 -11.438 -3.070 1.00 0.00 C ATOM 965 C ILE A 67 4.908 -12.492 -3.863 1.00 0.00 C ATOM 966 O ILE A 67 6.121 -12.383 -4.052 1.00 0.00 O ATOM 967 CB ILE A 67 3.872 -11.975 -1.652 1.00 0.00 C ATOM 968 CG1 ILE A 67 3.347 -10.855 -0.751 1.00 0.00 C ATOM 969 CG2 ILE A 67 5.137 -12.585 -1.066 1.00 0.00 C ATOM 970 CD1 ILE A 67 2.901 -11.336 0.612 1.00 0.00 C ATOM 0 H ILE A 67 2.060 -11.234 -3.197 1.00 0.00 H new ATOM 0 HA ILE A 67 4.746 -10.533 -2.998 1.00 0.00 H new ATOM 0 HB ILE A 67 3.111 -12.753 -1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.128 -10.105 -0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.509 -10.364 -1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.930 -12.960 -0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.472 -13.407 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.917 -11.826 -1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.541 -10.489 1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.098 -12.064 0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.742 -11.801 1.127 1.00 0.00 H new ATOM 982 N LEU A 68 4.193 -13.511 -4.326 1.00 0.00 N ATOM 983 CA LEU A 68 4.804 -14.585 -5.101 1.00 0.00 C ATOM 984 C LEU A 68 5.581 -14.026 -6.288 1.00 0.00 C ATOM 985 O LEU A 68 6.794 -14.213 -6.393 1.00 0.00 O ATOM 986 CB LEU A 68 3.733 -15.560 -5.592 1.00 0.00 C ATOM 987 CG LEU A 68 2.754 -16.071 -4.533 1.00 0.00 C ATOM 988 CD1 LEU A 68 1.573 -16.767 -5.190 1.00 0.00 C ATOM 989 CD2 LEU A 68 3.458 -17.010 -3.565 1.00 0.00 C ATOM 0 H LEU A 68 3.189 -13.616 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 68 5.500 -15.116 -4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.161 -15.073 -6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.231 -16.419 -6.042 1.00 0.00 H new ATOM 0 HG LEU A 68 2.378 -15.216 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.887 -17.124 -4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.054 -16.065 -5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.930 -17.612 -5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.747 -17.364 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.862 -17.861 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.270 -16.479 -3.069 1.00 0.00 H new ATOM 1001 N SER A 69 4.875 -13.337 -7.179 1.00 0.00 N ATOM 1002 CA SER A 69 5.499 -12.752 -8.360 1.00 0.00 C ATOM 1003 C SER A 69 6.869 -12.173 -8.021 1.00 0.00 C ATOM 1004 O SER A 69 7.763 -12.130 -8.865 1.00 0.00 O ATOM 1005 CB SER A 69 4.602 -11.660 -8.947 1.00 0.00 C ATOM 1006 OG SER A 69 4.720 -10.454 -8.212 1.00 0.00 O ATOM 0 H SER A 69 3.871 -13.170 -7.106 1.00 0.00 H new ATOM 0 HA SER A 69 5.631 -13.541 -9.100 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.873 -11.483 -9.988 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.565 -11.994 -8.940 1.00 0.00 H new ATOM 0 HG SER A 69 4.485 -10.618 -7.275 1.00 0.00 H new ATOM 1012 N ASN A 70 7.025 -11.728 -6.778 1.00 0.00 N ATOM 1013 CA ASN A 70 8.286 -11.151 -6.326 1.00 0.00 C ATOM 1014 C ASN A 70 8.762 -10.065 -7.285 1.00 0.00 C ATOM 1015 O ASN A 70 9.933 -10.024 -7.663 1.00 0.00 O ATOM 1016 CB ASN A 70 9.353 -12.240 -6.200 1.00 0.00 C ATOM 1017 CG ASN A 70 10.609 -11.742 -5.510 1.00 0.00 C ATOM 1018 OD1 ASN A 70 11.674 -11.658 -6.121 1.00 0.00 O ATOM 1019 ND2 ASN A 70 10.487 -11.409 -4.230 1.00 0.00 N ATOM 0 H ASN A 70 6.295 -11.756 -6.067 1.00 0.00 H new ATOM 0 HA ASN A 70 8.120 -10.699 -5.348 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.945 -13.082 -5.641 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.609 -12.610 -7.193 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.297 -11.067 -3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.584 -11.495 -3.764 1.00 0.00 H new ATOM 1026 N LYS A 71 7.846 -9.185 -7.676 1.00 0.00 N ATOM 1027 CA LYS A 71 8.171 -8.097 -8.590 1.00 0.00 C ATOM 1028 C LYS A 71 7.819 -6.746 -7.974 1.00 0.00 C ATOM 1029 O LYS A 71 8.416 -5.724 -8.312 1.00 0.00 O ATOM 1030 CB LYS A 71 7.425 -8.275 -9.914 1.00 0.00 C ATOM 1031 CG LYS A 71 7.880 -9.486 -10.710 1.00 0.00 C ATOM 1032 CD LYS A 71 9.030 -9.141 -11.641 1.00 0.00 C ATOM 1033 CE LYS A 71 9.521 -10.366 -12.398 1.00 0.00 C ATOM 1034 NZ LYS A 71 8.579 -10.763 -13.481 1.00 0.00 N ATOM 0 H LYS A 71 6.872 -9.204 -7.374 1.00 0.00 H new ATOM 0 HA LYS A 71 9.244 -8.123 -8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.358 -8.364 -9.711 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.560 -7.380 -10.521 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.189 -10.277 -10.026 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.044 -9.875 -11.291 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.709 -8.378 -12.350 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.851 -8.715 -11.064 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.501 -10.159 -12.827 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.646 -11.196 -11.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.949 -11.601 -13.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.650 -10.985 -13.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.479 -9.980 -14.158 1.00 0.00 H new ATOM 1048 N HIS A 72 6.846 -6.749 -7.068 1.00 0.00 N ATOM 1049 CA HIS A 72 6.416 -5.524 -6.404 1.00 0.00 C ATOM 1050 C HIS A 72 6.666 -5.605 -4.901 1.00 0.00 C ATOM 1051 O HIS A 72 6.850 -6.690 -4.350 1.00 0.00 O ATOM 1052 CB HIS A 72 4.934 -5.266 -6.673 1.00 0.00 C ATOM 1053 CG HIS A 72 4.513 -5.597 -8.072 1.00 0.00 C ATOM 1054 ND1 HIS A 72 4.518 -6.880 -8.576 1.00 0.00 N ATOM 1055 CD2 HIS A 72 4.070 -4.802 -9.075 1.00 0.00 C ATOM 1056 CE1 HIS A 72 4.099 -6.861 -9.828 1.00 0.00 C ATOM 1057 NE2 HIS A 72 3.820 -5.612 -10.155 1.00 0.00 N ATOM 0 H HIS A 72 6.341 -7.586 -6.777 1.00 0.00 H new ATOM 0 HA HIS A 72 7.000 -4.697 -6.808 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.339 -5.854 -5.974 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.714 -4.217 -6.475 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.938 -3.731 -9.033 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.001 -7.720 -10.475 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.475 -5.300 -11.063 1.00 0.00 H new ATOM 1065 N ASP A 73 6.670 -4.450 -4.244 1.00 0.00 N ATOM 1066 CA ASP A 73 6.897 -4.391 -2.804 1.00 0.00 C ATOM 1067 C ASP A 73 5.600 -4.081 -2.063 1.00 0.00 C ATOM 1068 O ASP A 73 4.702 -3.436 -2.604 1.00 0.00 O ATOM 1069 CB ASP A 73 7.952 -3.333 -2.476 1.00 0.00 C ATOM 1070 CG ASP A 73 7.620 -1.979 -3.072 1.00 0.00 C ATOM 1071 OD1 ASP A 73 6.833 -1.235 -2.451 1.00 0.00 O ATOM 1072 OD2 ASP A 73 8.146 -1.665 -4.160 1.00 0.00 O ATOM 0 H ASP A 73 6.519 -3.543 -4.685 1.00 0.00 H new ATOM 0 HA ASP A 73 7.258 -5.366 -2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.043 -3.238 -1.394 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.921 -3.663 -2.849 1.00 0.00 H new ATOM 1077 N VAL A 74 5.509 -4.545 -0.820 1.00 0.00 N ATOM 1078 CA VAL A 74 4.323 -4.318 -0.004 1.00 0.00 C ATOM 1079 C VAL A 74 4.585 -3.265 1.066 1.00 0.00 C ATOM 1080 O VAL A 74 5.610 -3.299 1.748 1.00 0.00 O ATOM 1081 CB VAL A 74 3.851 -5.618 0.675 1.00 0.00 C ATOM 1082 CG1 VAL A 74 2.614 -5.360 1.521 1.00 0.00 C ATOM 1083 CG2 VAL A 74 3.581 -6.694 -0.365 1.00 0.00 C ATOM 0 H VAL A 74 6.243 -5.080 -0.357 1.00 0.00 H new ATOM 0 HA VAL A 74 3.541 -3.963 -0.675 1.00 0.00 H new ATOM 0 HB VAL A 74 4.644 -5.972 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.295 -6.290 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.847 -4.624 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.812 -4.981 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.249 -7.605 0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.806 -6.351 -1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.495 -6.898 -0.923 1.00 0.00 H new ATOM 1093 N VAL A 75 3.653 -2.329 1.209 1.00 0.00 N ATOM 1094 CA VAL A 75 3.782 -1.265 2.198 1.00 0.00 C ATOM 1095 C VAL A 75 2.552 -1.196 3.095 1.00 0.00 C ATOM 1096 O VAL A 75 1.430 -1.438 2.650 1.00 0.00 O ATOM 1097 CB VAL A 75 3.990 0.105 1.525 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.362 1.157 2.558 1.00 0.00 C ATOM 1099 CG2 VAL A 75 5.054 0.010 0.442 1.00 0.00 C ATOM 0 H VAL A 75 2.799 -2.286 0.652 1.00 0.00 H new ATOM 0 HA VAL A 75 4.657 -1.501 2.804 1.00 0.00 H new ATOM 0 HB VAL A 75 3.053 0.406 1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.505 2.118 2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.563 1.243 3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.286 0.865 3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.188 0.987 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.996 -0.314 0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.741 -0.711 -0.313 1.00 0.00 H new ATOM 1109 N LYS A 76 2.769 -0.865 4.364 1.00 0.00 N ATOM 1110 CA LYS A 76 1.679 -0.763 5.326 1.00 0.00 C ATOM 1111 C LYS A 76 0.824 0.470 5.050 1.00 0.00 C ATOM 1112 O LYS A 76 1.322 1.524 4.654 1.00 0.00 O ATOM 1113 CB LYS A 76 2.233 -0.704 6.751 1.00 0.00 C ATOM 1114 CG LYS A 76 2.468 -2.071 7.369 1.00 0.00 C ATOM 1115 CD LYS A 76 3.129 -1.961 8.733 1.00 0.00 C ATOM 1116 CE LYS A 76 3.048 -3.272 9.499 1.00 0.00 C ATOM 1117 NZ LYS A 76 3.551 -3.131 10.894 1.00 0.00 N ATOM 0 H LYS A 76 3.691 -0.663 4.750 1.00 0.00 H new ATOM 0 HA LYS A 76 1.052 -1.649 5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.172 -0.151 6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.539 -0.145 7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.517 -2.596 7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.095 -2.668 6.707 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.173 -1.674 8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.647 -1.171 9.309 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.015 -3.618 9.519 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.629 -4.033 8.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.479 -4.046 11.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.545 -2.825 10.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.981 -2.423 11.399 1.00 0.00 H new ATOM 1131 N PRO A 77 -0.493 0.338 5.265 1.00 0.00 N ATOM 1132 CA PRO A 77 -1.444 1.433 5.048 1.00 0.00 C ATOM 1133 C PRO A 77 -1.289 2.548 6.076 1.00 0.00 C ATOM 1134 O PRO A 77 -1.987 3.560 6.018 1.00 0.00 O ATOM 1135 CB PRO A 77 -2.808 0.753 5.199 1.00 0.00 C ATOM 1136 CG PRO A 77 -2.548 -0.428 6.069 1.00 0.00 C ATOM 1137 CD PRO A 77 -1.156 -0.889 5.737 1.00 0.00 C ATOM 0 HA PRO A 77 -1.297 1.915 4.082 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.537 1.425 5.651 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.209 0.451 4.231 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.630 -0.162 7.123 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.276 -1.218 5.882 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.653 -1.308 6.609 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.162 -1.663 4.970 1.00 0.00 H new ATOM 1145 N ALA A 78 -0.369 2.357 7.016 1.00 0.00 N ATOM 1146 CA ALA A 78 -0.120 3.348 8.055 1.00 0.00 C ATOM 1147 C ALA A 78 0.758 4.481 7.534 1.00 0.00 C ATOM 1148 O ALA A 78 0.507 5.653 7.814 1.00 0.00 O ATOM 1149 CB ALA A 78 0.524 2.692 9.267 1.00 0.00 C ATOM 0 H ALA A 78 0.216 1.524 7.079 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.078 3.774 8.353 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.704 3.444 10.035 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.141 1.923 9.661 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.471 2.238 8.975 1.00 0.00 H new ATOM 1155 N TRP A 79 1.789 4.123 6.776 1.00 0.00 N ATOM 1156 CA TRP A 79 2.705 5.111 6.217 1.00 0.00 C ATOM 1157 C TRP A 79 1.945 6.185 5.449 1.00 0.00 C ATOM 1158 O TRP A 79 2.307 7.362 5.484 1.00 0.00 O ATOM 1159 CB TRP A 79 3.721 4.431 5.298 1.00 0.00 C ATOM 1160 CG TRP A 79 4.277 5.345 4.248 1.00 0.00 C ATOM 1161 CD1 TRP A 79 5.148 6.379 4.440 1.00 0.00 C ATOM 1162 CD2 TRP A 79 3.998 5.308 2.845 1.00 0.00 C ATOM 1163 NE1 TRP A 79 5.428 6.987 3.240 1.00 0.00 N ATOM 1164 CE2 TRP A 79 4.735 6.348 2.246 1.00 0.00 C ATOM 1165 CE3 TRP A 79 3.199 4.496 2.035 1.00 0.00 C ATOM 1166 CZ2 TRP A 79 4.695 6.596 0.876 1.00 0.00 C ATOM 1167 CZ3 TRP A 79 3.160 4.743 0.676 1.00 0.00 C ATOM 1168 CH2 TRP A 79 3.904 5.786 0.108 1.00 0.00 C ATOM 0 H TRP A 79 2.011 3.157 6.535 1.00 0.00 H new ATOM 0 HA TRP A 79 3.234 5.588 7.042 1.00 0.00 H new ATOM 0 HB2 TRP A 79 4.541 4.040 5.901 1.00 0.00 H new ATOM 0 HB3 TRP A 79 3.247 3.578 4.813 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.557 6.675 5.395 1.00 0.00 H new ATOM 0 HE1 TRP A 79 6.051 7.784 3.110 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.622 3.690 2.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 5.268 7.399 0.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 2.546 4.122 0.041 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.852 5.954 -0.958 1.00 0.00 H new ATOM 1179 N LEU A 80 0.889 5.775 4.754 1.00 0.00 N ATOM 1180 CA LEU A 80 0.077 6.704 3.977 1.00 0.00 C ATOM 1181 C LEU A 80 -0.541 7.771 4.874 1.00 0.00 C ATOM 1182 O LEU A 80 -0.552 8.954 4.533 1.00 0.00 O ATOM 1183 CB LEU A 80 -1.025 5.948 3.232 1.00 0.00 C ATOM 1184 CG LEU A 80 -0.579 5.137 2.015 1.00 0.00 C ATOM 1185 CD1 LEU A 80 -1.494 3.941 1.805 1.00 0.00 C ATOM 1186 CD2 LEU A 80 -0.551 6.014 0.771 1.00 0.00 C ATOM 0 H LEU A 80 0.576 4.805 4.713 1.00 0.00 H new ATOM 0 HA LEU A 80 0.726 7.197 3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.513 5.272 3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.776 6.668 2.908 1.00 0.00 H new ATOM 0 HG LEU A 80 0.430 4.768 2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.161 3.376 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.464 3.301 2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.515 4.288 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.231 5.420 -0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.548 6.413 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.147 6.838 0.922 1.00 0.00 H new ATOM 1198 N LEU A 81 -1.051 7.346 6.025 1.00 0.00 N ATOM 1199 CA LEU A 81 -1.668 8.266 6.975 1.00 0.00 C ATOM 1200 C LEU A 81 -0.734 9.429 7.292 1.00 0.00 C ATOM 1201 O LEU A 81 -1.128 10.592 7.215 1.00 0.00 O ATOM 1202 CB LEU A 81 -2.037 7.528 8.263 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.195 6.535 8.159 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.401 5.814 9.482 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -4.471 7.246 7.732 1.00 0.00 C ATOM 0 H LEU A 81 -1.050 6.371 6.323 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.574 8.666 6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.156 6.992 8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.286 8.268 9.023 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.945 5.793 7.400 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.229 5.112 9.388 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.493 5.272 9.746 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.628 6.541 10.261 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.284 6.524 7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.725 8.010 8.467 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.319 7.714 6.760 1.00 0.00 H new ATOM 1217 N GLU A 82 0.506 9.106 7.645 1.00 0.00 N ATOM 1218 CA GLU A 82 1.497 10.126 7.972 1.00 0.00 C ATOM 1219 C GLU A 82 1.434 11.283 6.979 1.00 0.00 C ATOM 1220 O GLU A 82 1.697 12.433 7.333 1.00 0.00 O ATOM 1221 CB GLU A 82 2.902 9.520 7.978 1.00 0.00 C ATOM 1222 CG GLU A 82 3.266 8.842 9.289 1.00 0.00 C ATOM 1223 CD GLU A 82 2.982 9.715 10.496 1.00 0.00 C ATOM 1224 OE1 GLU A 82 3.263 10.929 10.430 1.00 0.00 O ATOM 1225 OE2 GLU A 82 2.478 9.182 11.507 1.00 0.00 O ATOM 0 H GLU A 82 0.849 8.148 7.712 1.00 0.00 H new ATOM 0 HA GLU A 82 1.271 10.511 8.967 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.979 8.793 7.169 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.629 10.306 7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.707 7.911 9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.324 8.579 9.276 1.00 0.00 H new ATOM 1232 N CYS A 83 1.086 10.969 5.736 1.00 0.00 N ATOM 1233 CA CYS A 83 0.991 11.982 4.690 1.00 0.00 C ATOM 1234 C CYS A 83 -0.340 12.722 4.770 1.00 0.00 C ATOM 1235 O CYS A 83 -0.429 13.902 4.429 1.00 0.00 O ATOM 1236 CB CYS A 83 1.149 11.338 3.312 1.00 0.00 C ATOM 1237 SG CYS A 83 2.445 10.081 3.229 1.00 0.00 S ATOM 0 H CYS A 83 0.865 10.022 5.428 1.00 0.00 H new ATOM 0 HA CYS A 83 1.796 12.702 4.841 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.200 10.886 3.023 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.366 12.117 2.581 1.00 0.00 H new ATOM 0 HG CYS A 83 2.214 9.160 4.117 1.00 0.00 H new ATOM 1243 N PHE A 84 -1.375 12.020 5.221 1.00 0.00 N ATOM 1244 CA PHE A 84 -2.704 12.609 5.343 1.00 0.00 C ATOM 1245 C PHE A 84 -2.787 13.514 6.569 1.00 0.00 C ATOM 1246 O PHE A 84 -3.666 14.371 6.665 1.00 0.00 O ATOM 1247 CB PHE A 84 -3.766 11.512 5.431 1.00 0.00 C ATOM 1248 CG PHE A 84 -3.777 10.591 4.244 1.00 0.00 C ATOM 1249 CD1 PHE A 84 -3.538 11.080 2.970 1.00 0.00 C ATOM 1250 CD2 PHE A 84 -4.026 9.238 4.403 1.00 0.00 C ATOM 1251 CE1 PHE A 84 -3.549 10.236 1.876 1.00 0.00 C ATOM 1252 CE2 PHE A 84 -4.037 8.388 3.312 1.00 0.00 C ATOM 1253 CZ PHE A 84 -3.798 8.888 2.047 1.00 0.00 C ATOM 0 H PHE A 84 -1.319 11.043 5.508 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.889 13.213 4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.597 10.926 6.334 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.748 11.975 5.531 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.341 12.133 2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.214 8.842 5.390 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.363 10.630 0.888 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.232 7.335 3.449 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.806 8.227 1.193 1.00 0.00 H new ATOM 1263 N LYS A 85 -1.866 13.315 7.506 1.00 0.00 N ATOM 1264 CA LYS A 85 -1.833 14.112 8.727 1.00 0.00 C ATOM 1265 C LYS A 85 -0.821 15.247 8.610 1.00 0.00 C ATOM 1266 O LYS A 85 -1.026 16.334 9.150 1.00 0.00 O ATOM 1267 CB LYS A 85 -1.487 13.228 9.928 1.00 0.00 C ATOM 1268 CG LYS A 85 -1.239 14.009 11.207 1.00 0.00 C ATOM 1269 CD LYS A 85 -1.504 13.160 12.439 1.00 0.00 C ATOM 1270 CE LYS A 85 -1.020 13.849 13.705 1.00 0.00 C ATOM 1271 NZ LYS A 85 0.452 13.709 13.885 1.00 0.00 N ATOM 0 H LYS A 85 -1.133 12.609 7.443 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.822 14.545 8.875 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.301 12.522 10.095 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.599 12.641 9.693 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.209 14.364 11.224 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.880 14.890 11.226 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.572 12.957 12.519 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.004 12.197 12.333 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.282 14.906 13.666 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.533 13.425 14.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.742 14.192 14.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.700 12.701 13.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.943 14.136 13.074 1.00 0.00 H new ATOM 1285 N THR A 86 0.272 14.988 7.898 1.00 0.00 N ATOM 1286 CA THR A 86 1.316 15.987 7.709 1.00 0.00 C ATOM 1287 C THR A 86 1.205 16.645 6.339 1.00 0.00 C ATOM 1288 O THR A 86 1.915 17.605 6.040 1.00 0.00 O ATOM 1289 CB THR A 86 2.719 15.369 7.858 1.00 0.00 C ATOM 1290 OG1 THR A 86 3.054 14.627 6.680 1.00 0.00 O ATOM 1291 CG2 THR A 86 2.783 14.457 9.073 1.00 0.00 C ATOM 0 H THR A 86 0.457 14.094 7.443 1.00 0.00 H new ATOM 0 HA THR A 86 1.176 16.741 8.483 1.00 0.00 H new ATOM 0 HB THR A 86 3.436 16.179 7.994 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.479 13.836 6.617 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.783 14.033 9.157 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.556 15.031 9.971 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.056 13.653 8.963 1.00 0.00 H new ATOM 1299 N LYS A 87 0.309 16.124 5.508 1.00 0.00 N ATOM 1300 CA LYS A 87 0.102 16.662 4.168 1.00 0.00 C ATOM 1301 C LYS A 87 1.433 16.849 3.447 1.00 0.00 C ATOM 1302 O LYS A 87 1.653 17.863 2.784 1.00 0.00 O ATOM 1303 CB LYS A 87 -0.643 17.996 4.242 1.00 0.00 C ATOM 1304 CG LYS A 87 -1.885 17.952 5.114 1.00 0.00 C ATOM 1305 CD LYS A 87 -2.939 17.022 4.538 1.00 0.00 C ATOM 1306 CE LYS A 87 -4.194 16.999 5.397 1.00 0.00 C ATOM 1307 NZ LYS A 87 -4.997 18.244 5.238 1.00 0.00 N ATOM 0 H LYS A 87 -0.286 15.329 5.739 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.499 15.949 3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.034 18.759 4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.927 18.300 3.235 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.615 17.620 6.117 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.298 18.956 5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.195 17.342 3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.532 16.014 4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.803 16.137 5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.916 16.877 6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.285 18.593 6.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.424 18.968 4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.843 18.041 4.669 1.00 0.00 H new ATOM 1321 N SER A 88 2.316 15.865 3.579 1.00 0.00 N ATOM 1322 CA SER A 88 3.626 15.923 2.941 1.00 0.00 C ATOM 1323 C SER A 88 4.079 14.533 2.502 1.00 0.00 C ATOM 1324 O SER A 88 3.481 13.525 2.879 1.00 0.00 O ATOM 1325 CB SER A 88 4.656 16.529 3.896 1.00 0.00 C ATOM 1326 OG SER A 88 4.228 17.793 4.373 1.00 0.00 O ATOM 0 H SER A 88 2.148 15.018 4.122 1.00 0.00 H new ATOM 0 HA SER A 88 3.544 16.556 2.057 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.817 15.855 4.737 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.613 16.635 3.384 1.00 0.00 H new ATOM 0 HG SER A 88 3.464 17.674 4.975 1.00 0.00 H new ATOM 1332 N PHE A 89 5.140 14.489 1.703 1.00 0.00 N ATOM 1333 CA PHE A 89 5.673 13.224 1.210 1.00 0.00 C ATOM 1334 C PHE A 89 6.625 12.602 2.228 1.00 0.00 C ATOM 1335 O PHE A 89 7.801 12.960 2.294 1.00 0.00 O ATOM 1336 CB PHE A 89 6.399 13.435 -0.120 1.00 0.00 C ATOM 1337 CG PHE A 89 6.509 12.186 -0.948 1.00 0.00 C ATOM 1338 CD1 PHE A 89 7.375 11.170 -0.579 1.00 0.00 C ATOM 1339 CD2 PHE A 89 5.747 12.030 -2.094 1.00 0.00 C ATOM 1340 CE1 PHE A 89 7.478 10.019 -1.338 1.00 0.00 C ATOM 1341 CE2 PHE A 89 5.845 10.882 -2.857 1.00 0.00 C ATOM 1342 CZ PHE A 89 6.713 9.875 -2.479 1.00 0.00 C ATOM 0 H PHE A 89 5.647 15.314 1.383 1.00 0.00 H new ATOM 0 HA PHE A 89 4.837 12.542 1.055 1.00 0.00 H new ATOM 0 HB2 PHE A 89 5.873 14.197 -0.695 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.400 13.819 0.078 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.976 11.278 0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.068 12.815 -2.395 1.00 0.00 H new ATOM 0 HE1 PHE A 89 8.156 9.233 -1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.244 10.772 -3.748 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.793 8.978 -3.074 1.00 0.00 H new ATOM 1352 N VAL A 90 6.107 11.669 3.021 1.00 0.00 N ATOM 1353 CA VAL A 90 6.910 10.997 4.036 1.00 0.00 C ATOM 1354 C VAL A 90 7.799 9.927 3.413 1.00 0.00 C ATOM 1355 O VAL A 90 7.376 9.158 2.550 1.00 0.00 O ATOM 1356 CB VAL A 90 6.022 10.347 5.114 1.00 0.00 C ATOM 1357 CG1 VAL A 90 6.877 9.668 6.173 1.00 0.00 C ATOM 1358 CG2 VAL A 90 5.103 11.383 5.743 1.00 0.00 C ATOM 0 H VAL A 90 5.135 11.362 2.980 1.00 0.00 H new ATOM 0 HA VAL A 90 7.535 11.759 4.501 1.00 0.00 H new ATOM 0 HB VAL A 90 5.403 9.586 4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.232 9.215 6.926 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.489 8.896 5.707 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.524 10.406 6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.483 10.906 6.502 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.702 12.168 6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.465 11.818 4.974 1.00 0.00 H new ATOM 1368 N PRO A 91 9.063 9.875 3.860 1.00 0.00 N ATOM 1369 CA PRO A 91 10.039 8.902 3.360 1.00 0.00 C ATOM 1370 C PRO A 91 9.720 7.479 3.805 1.00 0.00 C ATOM 1371 O PRO A 91 9.128 7.268 4.864 1.00 0.00 O ATOM 1372 CB PRO A 91 11.358 9.373 3.980 1.00 0.00 C ATOM 1373 CG PRO A 91 10.955 10.115 5.207 1.00 0.00 C ATOM 1374 CD PRO A 91 9.636 10.761 4.887 1.00 0.00 C ATOM 0 HA PRO A 91 10.053 8.862 2.271 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.005 8.530 4.222 1.00 0.00 H new ATOM 0 HB3 PRO A 91 11.912 10.014 3.294 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.863 9.440 6.058 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.701 10.863 5.473 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.995 10.824 5.767 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.766 11.777 4.514 1.00 0.00 H new ATOM 1382 N TRP A 92 10.115 6.507 2.991 1.00 0.00 N ATOM 1383 CA TRP A 92 9.871 5.103 3.302 1.00 0.00 C ATOM 1384 C TRP A 92 10.703 4.658 4.500 1.00 0.00 C ATOM 1385 O TRP A 92 11.886 4.982 4.598 1.00 0.00 O ATOM 1386 CB TRP A 92 10.190 4.228 2.090 1.00 0.00 C ATOM 1387 CG TRP A 92 9.044 4.096 1.134 1.00 0.00 C ATOM 1388 CD1 TRP A 92 7.912 4.860 1.101 1.00 0.00 C ATOM 1389 CD2 TRP A 92 8.917 3.142 0.074 1.00 0.00 C ATOM 1390 NE1 TRP A 92 7.089 4.438 0.084 1.00 0.00 N ATOM 1391 CE2 TRP A 92 7.683 3.386 -0.561 1.00 0.00 C ATOM 1392 CE3 TRP A 92 9.726 2.107 -0.402 1.00 0.00 C ATOM 1393 CZ2 TRP A 92 7.242 2.631 -1.645 1.00 0.00 C ATOM 1394 CZ3 TRP A 92 9.287 1.358 -1.477 1.00 0.00 C ATOM 1395 CH2 TRP A 92 8.055 1.624 -2.090 1.00 0.00 C ATOM 0 H TRP A 92 10.606 6.665 2.111 1.00 0.00 H new ATOM 0 HA TRP A 92 8.817 4.991 3.554 1.00 0.00 H new ATOM 0 HB2 TRP A 92 11.047 4.648 1.563 1.00 0.00 H new ATOM 0 HB3 TRP A 92 10.483 3.236 2.434 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.695 5.676 1.775 1.00 0.00 H new ATOM 0 HE1 TRP A 92 6.183 4.843 -0.152 1.00 0.00 H new ATOM 0 HE3 TRP A 92 10.678 1.896 0.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 6.292 2.833 -2.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 9.904 0.554 -1.851 1.00 0.00 H new ATOM 0 HH2 TRP A 92 7.741 1.022 -2.930 1.00 0.00 H new ATOM 1406 N GLN A 93 10.077 3.915 5.406 1.00 0.00 N ATOM 1407 CA GLN A 93 10.762 3.426 6.597 1.00 0.00 C ATOM 1408 C GLN A 93 10.747 1.902 6.647 1.00 0.00 C ATOM 1409 O GLN A 93 9.866 1.247 6.090 1.00 0.00 O ATOM 1410 CB GLN A 93 10.108 3.996 7.857 1.00 0.00 C ATOM 1411 CG GLN A 93 10.166 5.513 7.940 1.00 0.00 C ATOM 1412 CD GLN A 93 11.587 6.040 7.988 1.00 0.00 C ATOM 1413 OE1 GLN A 93 12.501 5.355 8.448 1.00 0.00 O ATOM 1414 NE2 GLN A 93 11.780 7.264 7.511 1.00 0.00 N ATOM 0 H GLN A 93 9.098 3.638 5.339 1.00 0.00 H new ATOM 0 HA GLN A 93 11.799 3.759 6.552 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.066 3.678 7.891 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.599 3.573 8.734 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.653 5.940 7.079 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.629 5.845 8.828 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.993 7.796 7.139 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.715 7.672 7.516 1.00 0.00 H new ATOM 1423 N PRO A 94 11.745 1.321 7.330 1.00 0.00 N ATOM 1424 CA PRO A 94 11.868 -0.133 7.469 1.00 0.00 C ATOM 1425 C PRO A 94 10.783 -0.724 8.362 1.00 0.00 C ATOM 1426 O PRO A 94 10.650 -1.943 8.469 1.00 0.00 O ATOM 1427 CB PRO A 94 13.246 -0.312 8.112 1.00 0.00 C ATOM 1428 CG PRO A 94 13.496 0.967 8.835 1.00 0.00 C ATOM 1429 CD PRO A 94 12.829 2.040 8.020 1.00 0.00 C ATOM 0 HA PRO A 94 11.758 -0.645 6.513 1.00 0.00 H new ATOM 0 HB2 PRO A 94 13.257 -1.161 8.795 1.00 0.00 H new ATOM 0 HB3 PRO A 94 14.013 -0.498 7.360 1.00 0.00 H new ATOM 0 HG2 PRO A 94 13.086 0.932 9.844 1.00 0.00 H new ATOM 0 HG3 PRO A 94 14.565 1.158 8.932 1.00 0.00 H new ATOM 0 HD2 PRO A 94 12.442 2.841 8.650 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.522 2.497 7.313 1.00 0.00 H new ATOM 1437 N ARG A 95 10.009 0.147 9.001 1.00 0.00 N ATOM 1438 CA ARG A 95 8.935 -0.289 9.885 1.00 0.00 C ATOM 1439 C ARG A 95 7.586 -0.229 9.173 1.00 0.00 C ATOM 1440 O ARG A 95 6.593 -0.772 9.657 1.00 0.00 O ATOM 1441 CB ARG A 95 8.898 0.578 11.145 1.00 0.00 C ATOM 1442 CG ARG A 95 8.590 2.040 10.868 1.00 0.00 C ATOM 1443 CD ARG A 95 9.143 2.942 11.961 1.00 0.00 C ATOM 1444 NE ARG A 95 9.053 4.355 11.603 1.00 0.00 N ATOM 1445 CZ ARG A 95 9.537 5.336 12.355 1.00 0.00 C ATOM 1446 NH1 ARG A 95 10.142 5.060 13.503 1.00 0.00 N ATOM 1447 NH2 ARG A 95 9.418 6.598 11.961 1.00 0.00 N ATOM 0 H ARG A 95 10.106 1.159 8.923 1.00 0.00 H new ATOM 0 HA ARG A 95 9.130 -1.323 10.170 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.147 0.180 11.828 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.860 0.508 11.653 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.017 2.327 9.907 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.511 2.178 10.792 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.595 2.767 12.887 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.184 2.682 12.153 1.00 0.00 H new ATOM 0 HE ARG A 95 8.593 4.602 10.727 1.00 0.00 H new ATOM 0 HH11 ARG A 95 10.236 4.092 13.810 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.513 5.816 14.079 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.954 6.815 11.079 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.791 7.350 12.540 1.00 0.00 H new ATOM 1461 N PHE A 96 7.559 0.436 8.023 1.00 0.00 N ATOM 1462 CA PHE A 96 6.333 0.569 7.245 1.00 0.00 C ATOM 1463 C PHE A 96 6.237 -0.529 6.190 1.00 0.00 C ATOM 1464 O PHE A 96 5.143 -0.909 5.773 1.00 0.00 O ATOM 1465 CB PHE A 96 6.275 1.943 6.576 1.00 0.00 C ATOM 1466 CG PHE A 96 6.095 3.076 7.545 1.00 0.00 C ATOM 1467 CD1 PHE A 96 5.182 2.978 8.584 1.00 0.00 C ATOM 1468 CD2 PHE A 96 6.837 4.239 7.419 1.00 0.00 C ATOM 1469 CE1 PHE A 96 5.014 4.018 9.478 1.00 0.00 C ATOM 1470 CE2 PHE A 96 6.674 5.282 8.310 1.00 0.00 C ATOM 1471 CZ PHE A 96 5.760 5.172 9.340 1.00 0.00 C ATOM 0 H PHE A 96 8.372 0.891 7.609 1.00 0.00 H new ATOM 0 HA PHE A 96 5.487 0.469 7.925 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.193 2.102 6.011 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.454 1.955 5.860 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.595 2.078 8.696 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.552 4.331 6.614 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.300 3.929 10.284 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.260 6.182 8.201 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.629 5.987 10.036 1.00 0.00 H new ATOM 1481 N MET A 97 7.390 -1.032 5.762 1.00 0.00 N ATOM 1482 CA MET A 97 7.436 -2.087 4.755 1.00 0.00 C ATOM 1483 C MET A 97 7.052 -3.433 5.360 1.00 0.00 C ATOM 1484 O MET A 97 7.184 -3.642 6.567 1.00 0.00 O ATOM 1485 CB MET A 97 8.833 -2.171 4.138 1.00 0.00 C ATOM 1486 CG MET A 97 9.460 -0.813 3.866 1.00 0.00 C ATOM 1487 SD MET A 97 10.596 -0.841 2.466 1.00 0.00 S ATOM 1488 CE MET A 97 9.462 -1.152 1.116 1.00 0.00 C ATOM 0 H MET A 97 8.304 -0.727 6.096 1.00 0.00 H new ATOM 0 HA MET A 97 6.716 -1.842 3.974 1.00 0.00 H new ATOM 0 HB2 MET A 97 9.483 -2.735 4.807 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.776 -2.729 3.204 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.672 -0.085 3.675 1.00 0.00 H new ATOM 0 HG3 MET A 97 9.994 -0.479 4.756 1.00 0.00 H new ATOM 0 HE1 MET A 97 10.026 -1.391 0.214 1.00 0.00 H new ATOM 0 HE2 MET A 97 8.814 -1.991 1.371 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.854 -0.264 0.939 1.00 0.00 H new ATOM 1498 N ILE A 98 6.578 -4.343 4.516 1.00 0.00 N ATOM 1499 CA ILE A 98 6.176 -5.669 4.968 1.00 0.00 C ATOM 1500 C ILE A 98 6.955 -6.758 4.238 1.00 0.00 C ATOM 1501 O ILE A 98 7.282 -7.795 4.814 1.00 0.00 O ATOM 1502 CB ILE A 98 4.669 -5.903 4.759 1.00 0.00 C ATOM 1503 CG1 ILE A 98 3.857 -4.852 5.519 1.00 0.00 C ATOM 1504 CG2 ILE A 98 4.283 -7.304 5.208 1.00 0.00 C ATOM 1505 CD1 ILE A 98 2.386 -4.852 5.165 1.00 0.00 C ATOM 0 H ILE A 98 6.463 -4.186 3.515 1.00 0.00 H new ATOM 0 HA ILE A 98 6.398 -5.719 6.034 1.00 0.00 H new ATOM 0 HB ILE A 98 4.446 -5.809 3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.965 -5.026 6.590 1.00 0.00 H new ATOM 0 HG13 ILE A 98 4.272 -3.865 5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.214 -7.454 5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.840 -8.039 4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.517 -7.425 6.266 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.873 -4.082 5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.268 -4.648 4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.956 -5.826 5.397 1.00 0.00 H new ATOM 1517 N HIS A 99 7.250 -6.514 2.965 1.00 0.00 N ATOM 1518 CA HIS A 99 7.992 -7.473 2.155 1.00 0.00 C ATOM 1519 C HIS A 99 8.597 -6.796 0.929 1.00 0.00 C ATOM 1520 O HIS A 99 7.878 -6.368 0.026 1.00 0.00 O ATOM 1521 CB HIS A 99 7.080 -8.620 1.720 1.00 0.00 C ATOM 1522 CG HIS A 99 7.768 -9.645 0.871 1.00 0.00 C ATOM 1523 ND1 HIS A 99 8.727 -10.506 1.361 1.00 0.00 N ATOM 1524 CD2 HIS A 99 7.631 -9.944 -0.442 1.00 0.00 C ATOM 1525 CE1 HIS A 99 9.150 -11.290 0.385 1.00 0.00 C ATOM 1526 NE2 HIS A 99 8.501 -10.969 -0.719 1.00 0.00 N ATOM 0 H HIS A 99 6.987 -5.661 2.472 1.00 0.00 H new ATOM 0 HA HIS A 99 8.802 -7.874 2.764 1.00 0.00 H new ATOM 0 HB2 HIS A 99 6.675 -9.108 2.607 1.00 0.00 H new ATOM 0 HB3 HIS A 99 6.234 -8.211 1.167 1.00 0.00 H new ATOM 0 HD2 HIS A 99 6.962 -9.465 -1.141 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.899 -12.062 0.475 1.00 0.00 H new ATOM 0 HE2 HIS A 99 8.626 -11.411 -1.630 1.00 0.00 H new ATOM 1534 N MET A 100 9.923 -6.702 0.904 1.00 0.00 N ATOM 1535 CA MET A 100 10.624 -6.077 -0.211 1.00 0.00 C ATOM 1536 C MET A 100 11.465 -7.100 -0.967 1.00 0.00 C ATOM 1537 O MET A 100 11.911 -8.096 -0.394 1.00 0.00 O ATOM 1538 CB MET A 100 11.514 -4.939 0.291 1.00 0.00 C ATOM 1539 CG MET A 100 10.838 -4.049 1.322 1.00 0.00 C ATOM 1540 SD MET A 100 11.038 -4.662 3.006 1.00 0.00 S ATOM 1541 CE MET A 100 12.316 -3.566 3.617 1.00 0.00 C ATOM 0 H MET A 100 10.533 -7.051 1.643 1.00 0.00 H new ATOM 0 HA MET A 100 9.878 -5.671 -0.894 1.00 0.00 H new ATOM 0 HB2 MET A 100 12.420 -5.362 0.726 1.00 0.00 H new ATOM 0 HB3 MET A 100 11.823 -4.329 -0.558 1.00 0.00 H new ATOM 0 HG2 MET A 100 11.251 -3.043 1.254 1.00 0.00 H new ATOM 0 HG3 MET A 100 9.776 -3.974 1.091 1.00 0.00 H new ATOM 0 HE1 MET A 100 13.048 -4.141 4.185 1.00 0.00 H new ATOM 0 HE2 MET A 100 12.810 -3.079 2.776 1.00 0.00 H new ATOM 0 HE3 MET A 100 11.869 -2.810 4.262 1.00 0.00 H new ATOM 1551 N CYS A 101 11.679 -6.850 -2.254 1.00 0.00 N ATOM 1552 CA CYS A 101 12.467 -7.751 -3.087 1.00 0.00 C ATOM 1553 C CYS A 101 13.913 -7.813 -2.605 1.00 0.00 C ATOM 1554 O CYS A 101 14.391 -6.937 -1.884 1.00 0.00 O ATOM 1555 CB CYS A 101 12.423 -7.297 -4.547 1.00 0.00 C ATOM 1556 SG CYS A 101 11.059 -8.007 -5.499 1.00 0.00 S ATOM 0 H CYS A 101 11.318 -6.031 -2.743 1.00 0.00 H new ATOM 0 HA CYS A 101 12.035 -8.749 -3.010 1.00 0.00 H new ATOM 0 HB2 CYS A 101 12.346 -6.210 -4.576 1.00 0.00 H new ATOM 0 HB3 CYS A 101 13.365 -7.563 -5.028 1.00 0.00 H new ATOM 0 HG CYS A 101 11.515 -8.940 -6.281 1.00 0.00 H new ATOM 1562 N PRO A 102 14.626 -8.874 -3.010 1.00 0.00 N ATOM 1563 CA PRO A 102 16.028 -9.077 -2.631 1.00 0.00 C ATOM 1564 C PRO A 102 16.960 -8.072 -3.297 1.00 0.00 C ATOM 1565 O PRO A 102 18.145 -7.998 -2.970 1.00 0.00 O ATOM 1566 CB PRO A 102 16.328 -10.494 -3.126 1.00 0.00 C ATOM 1567 CG PRO A 102 15.364 -10.718 -4.239 1.00 0.00 C ATOM 1568 CD PRO A 102 14.121 -9.957 -3.871 1.00 0.00 C ATOM 0 HA PRO A 102 16.184 -8.943 -1.561 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.358 -10.583 -3.471 1.00 0.00 H new ATOM 0 HB3 PRO A 102 16.193 -11.228 -2.331 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.772 -10.364 -5.186 1.00 0.00 H new ATOM 0 HG3 PRO A 102 15.149 -11.780 -4.361 1.00 0.00 H new ATOM 0 HD2 PRO A 102 13.614 -9.566 -4.753 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.405 -10.588 -3.345 1.00 0.00 H new ATOM 1576 N SER A 103 16.418 -7.298 -4.232 1.00 0.00 N ATOM 1577 CA SER A 103 17.204 -6.299 -4.947 1.00 0.00 C ATOM 1578 C SER A 103 17.065 -4.928 -4.291 1.00 0.00 C ATOM 1579 O SER A 103 17.901 -4.045 -4.487 1.00 0.00 O ATOM 1580 CB SER A 103 16.762 -6.223 -6.410 1.00 0.00 C ATOM 1581 OG SER A 103 17.600 -5.353 -7.151 1.00 0.00 O ATOM 0 H SER A 103 15.438 -7.343 -4.512 1.00 0.00 H new ATOM 0 HA SER A 103 18.251 -6.599 -4.906 1.00 0.00 H new ATOM 0 HB2 SER A 103 16.785 -7.219 -6.852 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.731 -5.874 -6.464 1.00 0.00 H new ATOM 0 HG SER A 103 17.298 -5.323 -8.083 1.00 0.00 H new ATOM 1587 N THR A 104 16.003 -4.757 -3.511 1.00 0.00 N ATOM 1588 CA THR A 104 15.752 -3.495 -2.826 1.00 0.00 C ATOM 1589 C THR A 104 16.205 -3.559 -1.372 1.00 0.00 C ATOM 1590 O THR A 104 16.636 -2.557 -0.800 1.00 0.00 O ATOM 1591 CB THR A 104 14.259 -3.119 -2.870 1.00 0.00 C ATOM 1592 OG1 THR A 104 13.893 -2.723 -4.197 1.00 0.00 O ATOM 1593 CG2 THR A 104 13.957 -1.989 -1.897 1.00 0.00 C ATOM 0 H THR A 104 15.302 -5.477 -3.338 1.00 0.00 H new ATOM 0 HA THR A 104 16.327 -2.732 -3.350 1.00 0.00 H new ATOM 0 HB THR A 104 13.677 -3.994 -2.578 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.942 -2.487 -4.217 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.897 -1.741 -1.946 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.210 -2.303 -0.884 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.548 -1.112 -2.163 1.00 0.00 H new ATOM 1601 N LYS A 105 16.106 -4.743 -0.778 1.00 0.00 N ATOM 1602 CA LYS A 105 16.507 -4.939 0.610 1.00 0.00 C ATOM 1603 C LYS A 105 17.957 -4.516 0.822 1.00 0.00 C ATOM 1604 O LYS A 105 18.276 -3.823 1.788 1.00 0.00 O ATOM 1605 CB LYS A 105 16.329 -6.405 1.012 1.00 0.00 C ATOM 1606 CG LYS A 105 16.662 -6.682 2.468 1.00 0.00 C ATOM 1607 CD LYS A 105 17.128 -8.114 2.671 1.00 0.00 C ATOM 1608 CE LYS A 105 15.961 -9.042 2.971 1.00 0.00 C ATOM 1609 NZ LYS A 105 15.346 -9.580 1.725 1.00 0.00 N ATOM 0 H LYS A 105 15.751 -5.582 -1.237 1.00 0.00 H new ATOM 0 HA LYS A 105 15.869 -4.316 1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 105 15.298 -6.703 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 105 16.963 -7.026 0.379 1.00 0.00 H new ATOM 0 HG2 LYS A 105 17.440 -5.995 2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 105 15.784 -6.493 3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 105 17.648 -8.459 1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 105 17.845 -8.152 3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 105 16.305 -9.869 3.593 1.00 0.00 H new ATOM 0 HE3 LYS A 105 15.207 -8.504 3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 14.310 -9.521 1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 15.670 -9.022 0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 15.628 -10.573 1.599 1.00 0.00 H new ATOM 1623 N GLU A 106 18.831 -4.937 -0.087 1.00 0.00 N ATOM 1624 CA GLU A 106 20.247 -4.600 0.001 1.00 0.00 C ATOM 1625 C GLU A 106 20.439 -3.094 0.150 1.00 0.00 C ATOM 1626 O GLU A 106 21.353 -2.638 0.839 1.00 0.00 O ATOM 1627 CB GLU A 106 20.992 -5.100 -1.238 1.00 0.00 C ATOM 1628 CG GLU A 106 20.590 -4.388 -2.519 1.00 0.00 C ATOM 1629 CD GLU A 106 21.637 -4.511 -3.608 1.00 0.00 C ATOM 1630 OE1 GLU A 106 22.646 -3.777 -3.549 1.00 0.00 O ATOM 1631 OE2 GLU A 106 21.448 -5.343 -4.521 1.00 0.00 O ATOM 0 H GLU A 106 18.583 -5.512 -0.892 1.00 0.00 H new ATOM 0 HA GLU A 106 20.656 -5.091 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 106 22.063 -4.973 -1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 106 20.811 -6.169 -1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 106 19.647 -4.800 -2.879 1.00 0.00 H new ATOM 0 HG3 GLU A 106 20.416 -3.333 -2.305 1.00 0.00 H new ATOM 1638 N HIS A 107 19.572 -2.325 -0.501 1.00 0.00 N ATOM 1639 CA HIS A 107 19.646 -0.869 -0.442 1.00 0.00 C ATOM 1640 C HIS A 107 19.421 -0.371 0.982 1.00 0.00 C ATOM 1641 O HIS A 107 20.172 0.466 1.484 1.00 0.00 O ATOM 1642 CB HIS A 107 18.613 -0.247 -1.382 1.00 0.00 C ATOM 1643 CG HIS A 107 18.852 1.206 -1.656 1.00 0.00 C ATOM 1644 ND1 HIS A 107 20.089 1.716 -1.990 1.00 0.00 N ATOM 1645 CD2 HIS A 107 18.003 2.260 -1.648 1.00 0.00 C ATOM 1646 CE1 HIS A 107 19.991 3.020 -2.172 1.00 0.00 C ATOM 1647 NE2 HIS A 107 18.735 3.376 -1.971 1.00 0.00 N ATOM 0 H HIS A 107 18.810 -2.686 -1.075 1.00 0.00 H new ATOM 0 HA HIS A 107 20.644 -0.567 -0.760 1.00 0.00 H new ATOM 0 HB2 HIS A 107 18.618 -0.792 -2.326 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.620 -0.368 -0.949 1.00 0.00 H new ATOM 0 HD2 HIS A 107 16.946 2.229 -1.428 1.00 0.00 H new ATOM 0 HE1 HIS A 107 20.800 3.683 -2.440 1.00 0.00 H new ATOM 0 HE2 HIS A 107 18.369 4.325 -2.044 1.00 0.00 H new ATOM 1655 N PHE A 108 18.383 -0.891 1.629 1.00 0.00 N ATOM 1656 CA PHE A 108 18.058 -0.498 2.995 1.00 0.00 C ATOM 1657 C PHE A 108 19.174 -0.898 3.956 1.00 0.00 C ATOM 1658 O PHE A 108 19.526 -0.144 4.863 1.00 0.00 O ATOM 1659 CB PHE A 108 16.739 -1.138 3.432 1.00 0.00 C ATOM 1660 CG PHE A 108 15.530 -0.318 3.085 1.00 0.00 C ATOM 1661 CD1 PHE A 108 15.288 0.062 1.774 1.00 0.00 C ATOM 1662 CD2 PHE A 108 14.636 0.073 4.068 1.00 0.00 C ATOM 1663 CE1 PHE A 108 14.176 0.817 1.452 1.00 0.00 C ATOM 1664 CE2 PHE A 108 13.522 0.829 3.752 1.00 0.00 C ATOM 1665 CZ PHE A 108 13.292 1.200 2.442 1.00 0.00 C ATOM 0 H PHE A 108 17.752 -1.586 1.229 1.00 0.00 H new ATOM 0 HA PHE A 108 17.953 0.587 3.020 1.00 0.00 H new ATOM 0 HB2 PHE A 108 16.649 -2.119 2.966 1.00 0.00 H new ATOM 0 HB3 PHE A 108 16.762 -1.298 4.510 1.00 0.00 H new ATOM 0 HD1 PHE A 108 15.976 -0.235 0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 108 14.811 -0.216 5.094 1.00 0.00 H new ATOM 0 HE1 PHE A 108 13.998 1.107 0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 108 12.833 1.129 4.528 1.00 0.00 H new ATOM 0 HZ PHE A 108 12.422 1.789 2.192 1.00 0.00 H new ATOM 1675 N ALA A 109 19.726 -2.089 3.749 1.00 0.00 N ATOM 1676 CA ALA A 109 20.802 -2.589 4.595 1.00 0.00 C ATOM 1677 C ALA A 109 21.954 -1.592 4.666 1.00 0.00 C ATOM 1678 O ALA A 109 22.681 -1.539 5.657 1.00 0.00 O ATOM 1679 CB ALA A 109 21.296 -3.933 4.081 1.00 0.00 C ATOM 0 H ALA A 109 19.446 -2.725 3.003 1.00 0.00 H new ATOM 0 HA ALA A 109 20.407 -2.720 5.603 1.00 0.00 H new ATOM 0 HB1 ALA A 109 22.100 -4.295 4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 109 20.475 -4.650 4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 109 21.668 -3.819 3.063 1.00 0.00 H new ATOM 1685 N ARG A 110 22.113 -0.804 3.607 1.00 0.00 N ATOM 1686 CA ARG A 110 23.178 0.190 3.549 1.00 0.00 C ATOM 1687 C ARG A 110 22.854 1.387 4.438 1.00 0.00 C ATOM 1688 O ARG A 110 23.682 1.819 5.239 1.00 0.00 O ATOM 1689 CB ARG A 110 23.392 0.656 2.108 1.00 0.00 C ATOM 1690 CG ARG A 110 23.866 -0.447 1.175 1.00 0.00 C ATOM 1691 CD ARG A 110 24.491 0.122 -0.088 1.00 0.00 C ATOM 1692 NE ARG A 110 25.771 0.772 0.179 1.00 0.00 N ATOM 1693 CZ ARG A 110 26.873 0.113 0.520 1.00 0.00 C ATOM 1694 NH1 ARG A 110 26.851 -1.207 0.634 1.00 0.00 N ATOM 1695 NH2 ARG A 110 28.000 0.776 0.748 1.00 0.00 N ATOM 0 H ARG A 110 21.518 -0.835 2.779 1.00 0.00 H new ATOM 0 HA ARG A 110 24.094 -0.275 3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 110 22.458 1.067 1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 110 24.123 1.465 2.101 1.00 0.00 H new ATOM 0 HG2 ARG A 110 24.593 -1.074 1.691 1.00 0.00 H new ATOM 0 HG3 ARG A 110 23.025 -1.087 0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 110 24.636 -0.679 -0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 110 23.807 0.841 -0.539 1.00 0.00 H new ATOM 0 HE ARG A 110 25.822 1.788 0.099 1.00 0.00 H new ATOM 0 HH11 ARG A 110 25.987 -1.720 0.460 1.00 0.00 H new ATOM 0 HH12 ARG A 110 27.699 -1.710 0.896 1.00 0.00 H new ATOM 0 HH21 ARG A 110 28.020 1.792 0.661 1.00 0.00 H new ATOM 0 HH22 ARG A 110 28.846 0.269 1.010 1.00 0.00 H new ATOM 1709 N GLU A 111 21.644 1.917 4.291 1.00 0.00 N ATOM 1710 CA GLU A 111 21.211 3.064 5.080 1.00 0.00 C ATOM 1711 C GLU A 111 21.454 2.824 6.567 1.00 0.00 C ATOM 1712 O GLU A 111 22.106 3.625 7.238 1.00 0.00 O ATOM 1713 CB GLU A 111 19.729 3.351 4.834 1.00 0.00 C ATOM 1714 CG GLU A 111 19.451 4.011 3.494 1.00 0.00 C ATOM 1715 CD GLU A 111 20.380 5.176 3.213 1.00 0.00 C ATOM 1716 OE1 GLU A 111 20.553 6.027 4.110 1.00 0.00 O ATOM 1717 OE2 GLU A 111 20.935 5.236 2.096 1.00 0.00 O ATOM 0 H GLU A 111 20.946 1.570 3.633 1.00 0.00 H new ATOM 0 HA GLU A 111 21.797 3.929 4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 111 19.172 2.416 4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 111 19.355 3.994 5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 111 19.553 3.271 2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 111 18.419 4.361 3.473 1.00 0.00 H new ATOM 1724 N TYR A 112 20.925 1.717 7.076 1.00 0.00 N ATOM 1725 CA TYR A 112 21.081 1.373 8.484 1.00 0.00 C ATOM 1726 C TYR A 112 22.447 1.810 9.004 1.00 0.00 C ATOM 1727 O TYR A 112 22.544 2.520 10.005 1.00 0.00 O ATOM 1728 CB TYR A 112 20.904 -0.134 8.684 1.00 0.00 C ATOM 1729 CG TYR A 112 19.474 -0.546 8.949 1.00 0.00 C ATOM 1730 CD1 TYR A 112 18.520 -0.502 7.940 1.00 0.00 C ATOM 1731 CD2 TYR A 112 19.076 -0.979 10.208 1.00 0.00 C ATOM 1732 CE1 TYR A 112 17.211 -0.877 8.177 1.00 0.00 C ATOM 1733 CE2 TYR A 112 17.770 -1.357 10.453 1.00 0.00 C ATOM 1734 CZ TYR A 112 16.842 -1.304 9.435 1.00 0.00 C ATOM 1735 OH TYR A 112 15.540 -1.679 9.676 1.00 0.00 O ATOM 0 H TYR A 112 20.384 1.043 6.534 1.00 0.00 H new ATOM 0 HA TYR A 112 20.313 1.901 9.049 1.00 0.00 H new ATOM 0 HB2 TYR A 112 21.265 -0.655 7.797 1.00 0.00 H new ATOM 0 HB3 TYR A 112 21.527 -0.457 9.518 1.00 0.00 H new ATOM 0 HD1 TYR A 112 18.806 -0.169 6.953 1.00 0.00 H new ATOM 0 HD2 TYR A 112 19.800 -1.021 11.008 1.00 0.00 H new ATOM 0 HE1 TYR A 112 16.482 -0.836 7.382 1.00 0.00 H new ATOM 0 HE2 TYR A 112 17.478 -1.692 11.437 1.00 0.00 H new ATOM 0 HH TYR A 112 15.447 -1.955 10.612 1.00 0.00 H new ATOM 1745 N ASP A 113 23.499 1.380 8.316 1.00 0.00 N ATOM 1746 CA ASP A 113 24.861 1.728 8.706 1.00 0.00 C ATOM 1747 C ASP A 113 25.089 3.232 8.598 1.00 0.00 C ATOM 1748 O ASP A 113 24.752 3.851 7.588 1.00 0.00 O ATOM 1749 CB ASP A 113 25.870 0.982 7.831 1.00 0.00 C ATOM 1750 CG ASP A 113 25.436 -0.439 7.529 1.00 0.00 C ATOM 1751 OD1 ASP A 113 25.039 -1.151 8.474 1.00 0.00 O ATOM 1752 OD2 ASP A 113 25.494 -0.838 6.346 1.00 0.00 O ATOM 0 H ASP A 113 23.435 0.790 7.486 1.00 0.00 H new ATOM 0 HA ASP A 113 25.003 1.431 9.745 1.00 0.00 H new ATOM 0 HB2 ASP A 113 26.005 1.524 6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 113 26.838 0.964 8.332 1.00 0.00 H new TER 1757 ASP A 113