USER MOD reduce.3.24.130724 H: found=0, std=0, add=352, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 349 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 47 SER OG : rot -120:sc= 0.0623 USER MOD Set 1.2: A 50 GLN :FLIP amide:sc= 0.511 F(o=-0.56,f=0.57) USER MOD Set 2.1: A 32 HIS :FLIP no HD1:sc= -8.91! C(o=-14!,f=-8.6!) USER MOD Set 2.2: A 35 THR OG1 : rot 81:sc= 0.331 USER MOD Single : A 1 ASP N :NH3+ -176:sc= -0.114 (180deg=-0.163) USER MOD Single : A 2 SER OG : rot 180:sc= -0.848 USER MOD Single : A 5 ASN : amide:sc= -0.245 K(o=-0.24,f=-2.7!) USER MOD Single : A 7 ASN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00665 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -136:sc= -3.25! (180deg=-4.69!) USER MOD Single : A 23 GLN : amide:sc= -0.256 K(o=-0.26,f=-1.4!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.721 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.686 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.076 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0321 USER MOD Single : A 39 GLN : amide:sc= -0.947 X(o=-0.95,f=-1.1) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -17.218 11.746 -4.888 1.00 0.00 N ATOM 2 CA ASP A 1 -15.893 11.435 -4.277 1.00 0.00 C ATOM 3 C ASP A 1 -14.886 11.055 -5.365 1.00 0.00 C ATOM 4 O ASP A 1 -13.694 10.998 -5.128 1.00 0.00 O ATOM 5 CB ASP A 1 -16.154 10.248 -3.349 1.00 0.00 C ATOM 6 CG ASP A 1 -16.251 10.739 -1.904 1.00 0.00 C ATOM 7 OD1 ASP A 1 -15.514 11.645 -1.557 1.00 0.00 O ATOM 8 OD2 ASP A 1 -17.063 10.200 -1.170 1.00 0.00 O ATOM 0 H1 ASP A 1 -17.874 12.068 -4.148 1.00 0.00 H new ATOM 0 H2 ASP A 1 -17.105 12.495 -5.600 1.00 0.00 H new ATOM 0 H3 ASP A 1 -17.600 10.892 -5.342 1.00 0.00 H new ATOM 0 HA ASP A 1 -15.475 12.287 -3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -17.078 9.745 -3.636 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -15.351 9.517 -3.442 1.00 0.00 H new ATOM 13 N SER A 2 -15.352 10.795 -6.556 1.00 0.00 N ATOM 14 CA SER A 2 -14.419 10.419 -7.657 1.00 0.00 C ATOM 15 C SER A 2 -15.208 10.036 -8.911 1.00 0.00 C ATOM 16 O SER A 2 -16.406 10.223 -8.985 1.00 0.00 O ATOM 17 CB SER A 2 -13.642 9.216 -7.123 1.00 0.00 C ATOM 18 OG SER A 2 -14.410 8.571 -6.116 1.00 0.00 O ATOM 0 H SER A 2 -16.338 10.827 -6.815 1.00 0.00 H new ATOM 0 HA SER A 2 -13.758 11.239 -7.937 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.425 8.520 -7.933 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.684 9.539 -6.715 1.00 0.00 H new ATOM 0 HG SER A 2 -13.915 7.798 -5.772 1.00 0.00 H new ATOM 24 N PHE A 3 -14.544 9.498 -9.899 1.00 0.00 N ATOM 25 CA PHE A 3 -15.256 9.102 -11.149 1.00 0.00 C ATOM 26 C PHE A 3 -15.464 7.586 -11.181 1.00 0.00 C ATOM 27 O PHE A 3 -15.093 6.919 -12.126 1.00 0.00 O ATOM 28 CB PHE A 3 -14.333 9.541 -12.286 1.00 0.00 C ATOM 29 CG PHE A 3 -14.570 11.000 -12.591 1.00 0.00 C ATOM 30 CD1 PHE A 3 -15.817 11.423 -13.069 1.00 0.00 C ATOM 31 CD2 PHE A 3 -13.543 11.931 -12.397 1.00 0.00 C ATOM 32 CE1 PHE A 3 -16.035 12.777 -13.351 1.00 0.00 C ATOM 33 CE2 PHE A 3 -13.762 13.285 -12.680 1.00 0.00 C ATOM 34 CZ PHE A 3 -15.009 13.708 -13.156 1.00 0.00 C ATOM 0 H PHE A 3 -13.540 9.316 -9.895 1.00 0.00 H new ATOM 0 HA PHE A 3 -16.243 9.559 -11.225 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -13.292 9.381 -12.006 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -14.520 8.938 -13.174 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -16.610 10.705 -13.220 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -12.581 11.605 -12.029 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -16.996 13.103 -13.720 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.969 14.003 -12.531 1.00 0.00 H new ATOM 0 HZ PHE A 3 -15.179 14.752 -13.373 1.00 0.00 H new ATOM 44 N TRP A 4 -16.055 7.037 -10.155 1.00 0.00 N ATOM 45 CA TRP A 4 -16.285 5.563 -10.129 1.00 0.00 C ATOM 46 C TRP A 4 -14.948 4.819 -10.151 1.00 0.00 C ATOM 47 O TRP A 4 -14.435 4.475 -11.196 1.00 0.00 O ATOM 48 CB TRP A 4 -17.087 5.264 -11.396 1.00 0.00 C ATOM 49 CG TRP A 4 -18.216 4.342 -11.065 1.00 0.00 C ATOM 50 CD1 TRP A 4 -19.419 4.730 -10.582 1.00 0.00 C ATOM 51 CD2 TRP A 4 -18.271 2.891 -11.183 1.00 0.00 C ATOM 52 NE1 TRP A 4 -20.208 3.609 -10.395 1.00 0.00 N ATOM 53 CE2 TRP A 4 -19.545 2.452 -10.752 1.00 0.00 C ATOM 54 CE3 TRP A 4 -17.347 1.924 -11.619 1.00 0.00 C ATOM 55 CZ2 TRP A 4 -19.891 1.100 -10.752 1.00 0.00 C ATOM 56 CZ3 TRP A 4 -17.693 0.561 -11.620 1.00 0.00 C ATOM 57 CH2 TRP A 4 -18.961 0.151 -11.189 1.00 0.00 C ATOM 0 H TRP A 4 -16.388 7.544 -9.335 1.00 0.00 H new ATOM 0 HA TRP A 4 -16.811 5.243 -9.230 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -17.473 6.190 -11.822 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -16.442 4.811 -12.149 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -19.715 5.748 -10.376 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -21.163 3.634 -10.037 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -16.367 2.230 -11.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -20.869 0.789 -10.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -16.976 -0.174 -11.955 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -19.221 -0.897 -11.194 1.00 0.00 H new ATOM 68 N ASN A 5 -14.378 4.569 -9.003 1.00 0.00 N ATOM 69 CA ASN A 5 -13.074 3.848 -8.957 1.00 0.00 C ATOM 70 C ASN A 5 -13.104 2.639 -9.896 1.00 0.00 C ATOM 71 O ASN A 5 -14.160 2.187 -10.292 1.00 0.00 O ATOM 72 CB ASN A 5 -12.924 3.392 -7.505 1.00 0.00 C ATOM 73 CG ASN A 5 -12.020 4.369 -6.752 1.00 0.00 C ATOM 74 OD1 ASN A 5 -11.209 5.049 -7.349 1.00 0.00 O ATOM 75 ND2 ASN A 5 -12.124 4.467 -5.455 1.00 0.00 N ATOM 0 H ASN A 5 -14.760 4.833 -8.095 1.00 0.00 H new ATOM 0 HA ASN A 5 -12.244 4.478 -9.275 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -13.902 3.342 -7.026 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.501 2.388 -7.470 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.525 5.114 -4.943 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -12.805 3.896 -4.953 1.00 0.00 H new ATOM 82 N PRO A 6 -11.936 2.158 -10.221 1.00 0.00 N ATOM 83 CA PRO A 6 -11.818 0.986 -11.123 1.00 0.00 C ATOM 84 C PRO A 6 -12.246 -0.291 -10.396 1.00 0.00 C ATOM 85 O PRO A 6 -12.668 -1.254 -11.006 1.00 0.00 O ATOM 86 CB PRO A 6 -10.332 0.947 -11.466 1.00 0.00 C ATOM 87 CG PRO A 6 -9.653 1.641 -10.327 1.00 0.00 C ATOM 88 CD PRO A 6 -10.627 2.653 -9.783 1.00 0.00 C ATOM 0 HA PRO A 6 -12.451 1.058 -12.007 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.978 -0.079 -11.571 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.132 1.451 -12.411 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.368 0.926 -9.555 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.738 2.129 -10.663 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.569 2.719 -8.697 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.426 3.650 -10.174 1.00 0.00 H new ATOM 96 N ASN A 7 -12.141 -0.307 -9.095 1.00 0.00 N ATOM 97 CA ASN A 7 -12.542 -1.521 -8.329 1.00 0.00 C ATOM 98 C ASN A 7 -12.767 -1.167 -6.855 1.00 0.00 C ATOM 99 O ASN A 7 -13.680 -1.656 -6.221 1.00 0.00 O ATOM 100 CB ASN A 7 -11.368 -2.489 -8.474 1.00 0.00 C ATOM 101 CG ASN A 7 -11.744 -3.843 -7.872 1.00 0.00 C ATOM 102 OD1 ASN A 7 -11.097 -4.316 -6.958 1.00 0.00 O ATOM 103 ND2 ASN A 7 -12.770 -4.494 -8.349 1.00 0.00 N ATOM 0 H ASN A 7 -11.795 0.468 -8.530 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.473 -1.952 -8.698 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.108 -2.607 -9.526 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -10.488 -2.088 -7.971 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.028 -5.399 -7.955 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -13.314 -4.098 -9.116 1.00 0.00 H new ATOM 110 N ALA A 8 -11.941 -0.318 -6.307 1.00 0.00 N ATOM 111 CA ALA A 8 -12.109 0.067 -4.876 1.00 0.00 C ATOM 112 C ALA A 8 -10.937 0.940 -4.422 1.00 0.00 C ATOM 113 O ALA A 8 -10.194 1.468 -5.225 1.00 0.00 O ATOM 114 CB ALA A 8 -12.116 -1.254 -4.108 1.00 0.00 C ATOM 0 H ALA A 8 -11.158 0.125 -6.787 1.00 0.00 H new ATOM 0 HA ALA A 8 -13.020 0.642 -4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.236 -1.055 -3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.942 -1.873 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.175 -1.777 -4.275 1.00 0.00 H new ATOM 120 N PHE A 9 -10.764 1.092 -3.137 1.00 0.00 N ATOM 121 CA PHE A 9 -9.639 1.927 -2.632 1.00 0.00 C ATOM 122 C PHE A 9 -8.302 1.259 -2.962 1.00 0.00 C ATOM 123 O PHE A 9 -8.157 0.057 -2.855 1.00 0.00 O ATOM 124 CB PHE A 9 -9.846 2.001 -1.120 1.00 0.00 C ATOM 125 CG PHE A 9 -10.858 3.077 -0.804 1.00 0.00 C ATOM 126 CD1 PHE A 9 -12.215 2.860 -1.069 1.00 0.00 C ATOM 127 CD2 PHE A 9 -10.438 4.292 -0.250 1.00 0.00 C ATOM 128 CE1 PHE A 9 -13.153 3.858 -0.778 1.00 0.00 C ATOM 129 CE2 PHE A 9 -11.376 5.290 0.041 1.00 0.00 C ATOM 130 CZ PHE A 9 -12.734 5.072 -0.223 1.00 0.00 C ATOM 0 H PHE A 9 -11.353 0.674 -2.416 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.621 2.918 -3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -10.192 1.039 -0.742 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.901 2.218 -0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -12.539 1.923 -1.498 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.391 4.460 -0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -14.200 3.691 -0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -11.052 6.227 0.469 1.00 0.00 H new ATOM 0 HZ PHE A 9 -13.458 5.841 0.002 1.00 0.00 H new ATOM 140 N GLU A 10 -7.329 2.030 -3.366 1.00 0.00 N ATOM 141 CA GLU A 10 -6.000 1.444 -3.708 1.00 0.00 C ATOM 142 C GLU A 10 -5.621 0.359 -2.696 1.00 0.00 C ATOM 143 O GLU A 10 -5.954 0.439 -1.531 1.00 0.00 O ATOM 144 CB GLU A 10 -5.020 2.616 -3.632 1.00 0.00 C ATOM 145 CG GLU A 10 -4.882 3.258 -5.013 1.00 0.00 C ATOM 146 CD GLU A 10 -6.043 4.226 -5.245 1.00 0.00 C ATOM 147 OE1 GLU A 10 -6.277 5.056 -4.383 1.00 0.00 O ATOM 148 OE2 GLU A 10 -6.679 4.119 -6.281 1.00 0.00 O ATOM 0 H GLU A 10 -7.397 3.042 -3.474 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.997 0.973 -4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.373 3.353 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.048 2.269 -3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.933 3.788 -5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.877 2.488 -5.785 1.00 0.00 H new ATOM 155 N THR A 11 -4.927 -0.656 -3.135 1.00 0.00 N ATOM 156 CA THR A 11 -4.531 -1.747 -2.199 1.00 0.00 C ATOM 157 C THR A 11 -3.128 -1.489 -1.644 1.00 0.00 C ATOM 158 O THR A 11 -2.616 -0.390 -1.718 1.00 0.00 O ATOM 159 CB THR A 11 -4.547 -3.019 -3.048 1.00 0.00 C ATOM 160 OG1 THR A 11 -5.468 -2.859 -4.118 1.00 0.00 O ATOM 161 CG2 THR A 11 -4.967 -4.206 -2.182 1.00 0.00 C ATOM 0 H THR A 11 -4.618 -0.777 -4.099 1.00 0.00 H new ATOM 0 HA THR A 11 -5.200 -1.819 -1.342 1.00 0.00 H new ATOM 0 HB THR A 11 -3.551 -3.202 -3.451 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.479 -3.672 -4.665 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.978 -5.112 -2.788 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.259 -4.326 -1.362 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.963 -4.027 -1.778 1.00 0.00 H new ATOM 169 N ASP A 12 -2.503 -2.505 -1.103 1.00 0.00 N ATOM 170 CA ASP A 12 -1.132 -2.362 -0.545 1.00 0.00 C ATOM 171 C ASP A 12 -0.918 -0.967 0.049 1.00 0.00 C ATOM 172 O ASP A 12 -1.848 -0.315 0.480 1.00 0.00 O ATOM 173 CB ASP A 12 -0.199 -2.597 -1.731 1.00 0.00 C ATOM 174 CG ASP A 12 -0.771 -3.678 -2.655 1.00 0.00 C ATOM 175 OD1 ASP A 12 -1.196 -4.702 -2.144 1.00 0.00 O ATOM 176 OD2 ASP A 12 -0.775 -3.463 -3.856 1.00 0.00 O ATOM 0 H ASP A 12 -2.896 -3.443 -1.025 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.950 -3.065 0.268 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.065 -1.669 -2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.785 -2.899 -1.373 1.00 0.00 H new ATOM 181 N SER A 13 0.303 -0.506 0.077 1.00 0.00 N ATOM 182 CA SER A 13 0.577 0.845 0.644 1.00 0.00 C ATOM 183 C SER A 13 1.684 1.537 -0.150 1.00 0.00 C ATOM 184 O SER A 13 1.520 2.636 -0.640 1.00 0.00 O ATOM 185 CB SER A 13 1.027 0.588 2.077 1.00 0.00 C ATOM 186 OG SER A 13 0.118 1.213 2.974 1.00 0.00 O ATOM 0 H SER A 13 1.122 -1.006 -0.268 1.00 0.00 H new ATOM 0 HA SER A 13 -0.297 1.495 0.602 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.068 -0.484 2.271 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.033 0.978 2.230 1.00 0.00 H new ATOM 0 HG SER A 13 0.404 1.048 3.897 1.00 0.00 H new ATOM 192 N ASP A 14 2.810 0.899 -0.281 1.00 0.00 N ATOM 193 CA ASP A 14 3.933 1.513 -1.045 1.00 0.00 C ATOM 194 C ASP A 14 4.984 0.453 -1.387 1.00 0.00 C ATOM 195 O ASP A 14 6.169 0.663 -1.220 1.00 0.00 O ATOM 196 CB ASP A 14 4.520 2.568 -0.107 1.00 0.00 C ATOM 197 CG ASP A 14 5.291 1.878 1.020 1.00 0.00 C ATOM 198 OD1 ASP A 14 4.763 0.930 1.578 1.00 0.00 O ATOM 199 OD2 ASP A 14 6.396 2.309 1.306 1.00 0.00 O ATOM 0 H ASP A 14 3.004 -0.024 0.108 1.00 0.00 H new ATOM 0 HA ASP A 14 3.602 1.946 -1.989 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.182 3.234 -0.660 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.723 3.185 0.308 1.00 0.00 H new ATOM 204 N LEU A 15 4.559 -0.682 -1.869 1.00 0.00 N ATOM 205 CA LEU A 15 5.534 -1.752 -2.226 1.00 0.00 C ATOM 206 C LEU A 15 6.288 -1.368 -3.501 1.00 0.00 C ATOM 207 O LEU A 15 5.910 -0.442 -4.191 1.00 0.00 O ATOM 208 CB LEU A 15 4.685 -3.004 -2.459 1.00 0.00 C ATOM 209 CG LEU A 15 4.337 -3.650 -1.115 1.00 0.00 C ATOM 210 CD1 LEU A 15 5.617 -3.879 -0.309 1.00 0.00 C ATOM 211 CD2 LEU A 15 3.400 -2.729 -0.333 1.00 0.00 C ATOM 0 H LEU A 15 3.579 -0.915 -2.031 1.00 0.00 H new ATOM 0 HA LEU A 15 6.281 -1.909 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.772 -2.742 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.229 -3.713 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 15 3.844 -4.606 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.367 -4.339 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.284 -4.537 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.113 -2.924 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.152 -3.189 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.892 -1.772 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.486 -2.568 -0.905 1.00 0.00 H new ATOM 223 N PRO A 16 7.335 -2.100 -3.773 1.00 0.00 N ATOM 224 CA PRO A 16 8.157 -1.838 -4.981 1.00 0.00 C ATOM 225 C PRO A 16 7.383 -2.215 -6.247 1.00 0.00 C ATOM 226 O PRO A 16 6.175 -2.330 -6.236 1.00 0.00 O ATOM 227 CB PRO A 16 9.371 -2.743 -4.788 1.00 0.00 C ATOM 228 CG PRO A 16 8.896 -3.835 -3.888 1.00 0.00 C ATOM 229 CD PRO A 16 7.847 -3.231 -2.992 1.00 0.00 C ATOM 0 HA PRO A 16 8.430 -0.789 -5.098 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.723 -3.140 -5.740 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.203 -2.198 -4.343 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.482 -4.661 -4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.721 -4.239 -3.301 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.059 -3.947 -2.759 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.271 -2.903 -2.043 1.00 0.00 H new ATOM 237 N ALA A 17 8.071 -2.400 -7.340 1.00 0.00 N ATOM 238 CA ALA A 17 7.371 -2.763 -8.606 1.00 0.00 C ATOM 239 C ALA A 17 7.365 -4.281 -8.799 1.00 0.00 C ATOM 240 O ALA A 17 8.398 -4.922 -8.806 1.00 0.00 O ATOM 241 CB ALA A 17 8.181 -2.088 -9.713 1.00 0.00 C ATOM 0 H ALA A 17 9.085 -2.316 -7.412 1.00 0.00 H new ATOM 0 HA ALA A 17 6.329 -2.442 -8.605 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.729 -2.308 -10.680 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.189 -1.010 -9.552 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.204 -2.465 -9.697 1.00 0.00 H new ATOM 247 N GLY A 18 6.207 -4.862 -8.962 1.00 0.00 N ATOM 248 CA GLY A 18 6.132 -6.335 -9.162 1.00 0.00 C ATOM 249 C GLY A 18 5.828 -7.026 -7.832 1.00 0.00 C ATOM 250 O GLY A 18 5.868 -8.233 -7.730 1.00 0.00 O ATOM 0 H GLY A 18 5.309 -4.378 -8.965 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.357 -6.573 -9.891 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.074 -6.704 -9.567 1.00 0.00 H new ATOM 254 N TRP A 19 5.524 -6.274 -6.811 1.00 0.00 N ATOM 255 CA TRP A 19 5.216 -6.903 -5.497 1.00 0.00 C ATOM 256 C TRP A 19 3.800 -6.525 -5.053 1.00 0.00 C ATOM 257 O TRP A 19 3.383 -5.389 -5.171 1.00 0.00 O ATOM 258 CB TRP A 19 6.258 -6.339 -4.536 1.00 0.00 C ATOM 259 CG TRP A 19 7.500 -7.168 -4.612 1.00 0.00 C ATOM 260 CD1 TRP A 19 8.626 -6.822 -5.279 1.00 0.00 C ATOM 261 CD2 TRP A 19 7.763 -8.472 -4.016 1.00 0.00 C ATOM 262 NE1 TRP A 19 9.562 -7.829 -5.128 1.00 0.00 N ATOM 263 CE2 TRP A 19 9.078 -8.868 -4.359 1.00 0.00 C ATOM 264 CE3 TRP A 19 6.996 -9.342 -3.219 1.00 0.00 C ATOM 265 CZ2 TRP A 19 9.612 -10.082 -3.927 1.00 0.00 C ATOM 266 CZ3 TRP A 19 7.532 -10.565 -2.783 1.00 0.00 C ATOM 267 CH2 TRP A 19 8.838 -10.934 -3.137 1.00 0.00 C ATOM 0 H TRP A 19 5.476 -5.255 -6.829 1.00 0.00 H new ATOM 0 HA TRP A 19 5.252 -7.992 -5.536 1.00 0.00 H new ATOM 0 HB2 TRP A 19 6.482 -5.303 -4.791 1.00 0.00 H new ATOM 0 HB3 TRP A 19 5.868 -6.339 -3.518 1.00 0.00 H new ATOM 0 HD1 TRP A 19 8.770 -5.909 -5.838 1.00 0.00 H new ATOM 0 HE1 TRP A 19 10.497 -7.807 -5.536 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.989 -9.068 -2.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 10.618 -10.361 -4.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 6.935 -11.225 -2.171 1.00 0.00 H new ATOM 0 HH2 TRP A 19 9.244 -11.876 -2.799 1.00 0.00 H new ATOM 278 N MET A 20 3.056 -7.471 -4.551 1.00 0.00 N ATOM 279 CA MET A 20 1.664 -7.173 -4.104 1.00 0.00 C ATOM 280 C MET A 20 1.500 -7.495 -2.618 1.00 0.00 C ATOM 281 O MET A 20 2.341 -8.129 -2.012 1.00 0.00 O ATOM 282 CB MET A 20 0.779 -8.092 -4.947 1.00 0.00 C ATOM 283 CG MET A 20 1.104 -7.901 -6.429 1.00 0.00 C ATOM 284 SD MET A 20 0.994 -6.143 -6.848 1.00 0.00 S ATOM 285 CE MET A 20 -0.418 -6.266 -7.974 1.00 0.00 C ATOM 0 H MET A 20 3.351 -8.440 -4.430 1.00 0.00 H new ATOM 0 HA MET A 20 1.407 -6.121 -4.230 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.940 -9.131 -4.660 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.272 -7.870 -4.763 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.105 -8.275 -6.644 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.410 -8.476 -7.042 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.228 -5.664 -8.863 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.562 -7.307 -8.265 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.315 -5.902 -7.474 1.00 0.00 H new ATOM 295 N ARG A 21 0.417 -7.071 -2.031 1.00 0.00 N ATOM 296 CA ARG A 21 0.184 -7.359 -0.587 1.00 0.00 C ATOM 297 C ARG A 21 -1.115 -8.151 -0.418 1.00 0.00 C ATOM 298 O ARG A 21 -2.194 -7.646 -0.656 1.00 0.00 O ATOM 299 CB ARG A 21 0.072 -5.988 0.082 1.00 0.00 C ATOM 300 CG ARG A 21 0.154 -6.153 1.601 1.00 0.00 C ATOM 301 CD ARG A 21 -0.370 -4.887 2.284 1.00 0.00 C ATOM 302 NE ARG A 21 -0.256 -5.163 3.743 1.00 0.00 N ATOM 303 CZ ARG A 21 -1.164 -4.713 4.565 1.00 0.00 C ATOM 304 NH1 ARG A 21 -1.956 -3.744 4.195 1.00 0.00 N ATOM 305 NH2 ARG A 21 -1.282 -5.233 5.755 1.00 0.00 N ATOM 0 H ARG A 21 -0.320 -6.535 -2.490 1.00 0.00 H new ATOM 0 HA ARG A 21 0.983 -7.956 -0.148 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.872 -5.335 -0.267 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.870 -5.513 -0.193 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.432 -7.017 1.915 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.185 -6.340 1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.217 -4.013 2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.402 -4.683 2.000 1.00 0.00 H new ATOM 0 HE ARG A 21 0.532 -5.704 4.100 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.865 -3.339 3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.666 -3.392 4.837 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.664 -5.992 6.044 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.992 -4.881 6.397 1.00 0.00 H new ATOM 319 N VAL A 22 -1.024 -9.389 -0.015 1.00 0.00 N ATOM 320 CA VAL A 22 -2.259 -10.205 0.158 1.00 0.00 C ATOM 321 C VAL A 22 -2.480 -10.537 1.635 1.00 0.00 C ATOM 322 O VAL A 22 -1.581 -10.444 2.447 1.00 0.00 O ATOM 323 CB VAL A 22 -2.006 -11.481 -0.639 1.00 0.00 C ATOM 324 CG1 VAL A 22 -3.319 -12.248 -0.811 1.00 0.00 C ATOM 325 CG2 VAL A 22 -1.439 -11.120 -2.014 1.00 0.00 C ATOM 0 H VAL A 22 -0.151 -9.869 0.201 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.148 -9.676 -0.184 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.291 -12.106 -0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.136 -13.159 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.720 -12.507 0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.037 -11.625 -1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.258 -12.031 -2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.153 -10.493 -2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.502 -10.578 -1.890 1.00 0.00 H new ATOM 335 N GLN A 23 -3.673 -10.930 1.984 1.00 0.00 N ATOM 336 CA GLN A 23 -3.963 -11.277 3.404 1.00 0.00 C ATOM 337 C GLN A 23 -4.447 -12.726 3.503 1.00 0.00 C ATOM 338 O GLN A 23 -5.620 -13.009 3.361 1.00 0.00 O ATOM 339 CB GLN A 23 -5.066 -10.310 3.833 1.00 0.00 C ATOM 340 CG GLN A 23 -4.793 -9.825 5.259 1.00 0.00 C ATOM 341 CD GLN A 23 -5.065 -8.322 5.348 1.00 0.00 C ATOM 342 OE1 GLN A 23 -4.797 -7.588 4.418 1.00 0.00 O ATOM 343 NE2 GLN A 23 -5.591 -7.830 6.436 1.00 0.00 N ATOM 0 H GLN A 23 -4.462 -11.026 1.345 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.081 -11.192 4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.106 -9.461 3.150 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.036 -10.804 3.785 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.427 -10.362 5.965 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.760 -10.035 5.534 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.816 -8.446 7.217 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.777 -6.829 6.505 1.00 0.00 H new ATOM 352 N ASP A 24 -3.555 -13.647 3.745 1.00 0.00 N ATOM 353 CA ASP A 24 -3.971 -15.076 3.852 1.00 0.00 C ATOM 354 C ASP A 24 -4.301 -15.426 5.305 1.00 0.00 C ATOM 355 O ASP A 24 -4.065 -14.651 6.211 1.00 0.00 O ATOM 356 CB ASP A 24 -2.767 -15.875 3.367 1.00 0.00 C ATOM 357 CG ASP A 24 -3.230 -16.957 2.390 1.00 0.00 C ATOM 358 OD1 ASP A 24 -3.664 -16.603 1.306 1.00 0.00 O ATOM 359 OD2 ASP A 24 -3.144 -18.121 2.743 1.00 0.00 O ATOM 0 H ASP A 24 -2.558 -13.473 3.873 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.865 -15.291 3.266 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.051 -15.213 2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.255 -16.331 4.214 1.00 0.00 H new ATOM 364 N THR A 25 -4.850 -16.589 5.535 1.00 0.00 N ATOM 365 CA THR A 25 -5.198 -16.989 6.929 1.00 0.00 C ATOM 366 C THR A 25 -3.941 -17.032 7.801 1.00 0.00 C ATOM 367 O THR A 25 -3.990 -16.785 8.990 1.00 0.00 O ATOM 368 CB THR A 25 -5.814 -18.383 6.800 1.00 0.00 C ATOM 369 OG1 THR A 25 -6.484 -18.717 8.008 1.00 0.00 O ATOM 370 CG2 THR A 25 -4.715 -19.409 6.523 1.00 0.00 C ATOM 0 H THR A 25 -5.072 -17.279 4.818 1.00 0.00 H new ATOM 0 HA THR A 25 -5.883 -16.284 7.401 1.00 0.00 H new ATOM 0 HB THR A 25 -6.526 -18.389 5.975 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.881 -19.609 7.926 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.158 -20.401 6.432 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.204 -19.153 5.595 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.999 -19.406 7.345 1.00 0.00 H new ATOM 378 N SER A 26 -2.814 -17.344 7.221 1.00 0.00 N ATOM 379 CA SER A 26 -1.556 -17.402 8.020 1.00 0.00 C ATOM 380 C SER A 26 -1.058 -15.987 8.322 1.00 0.00 C ATOM 381 O SER A 26 -0.322 -15.764 9.262 1.00 0.00 O ATOM 382 CB SER A 26 -0.558 -18.144 7.134 1.00 0.00 C ATOM 383 OG SER A 26 -0.475 -19.500 7.553 1.00 0.00 O ATOM 0 H SER A 26 -2.710 -17.561 6.230 1.00 0.00 H new ATOM 0 HA SER A 26 -1.697 -17.901 8.979 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.871 -18.092 6.091 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.422 -17.672 7.196 1.00 0.00 H new ATOM 0 HG SER A 26 0.164 -19.979 6.985 1.00 0.00 H new ATOM 389 N GLY A 27 -1.456 -15.028 7.531 1.00 0.00 N ATOM 390 CA GLY A 27 -1.007 -13.628 7.770 1.00 0.00 C ATOM 391 C GLY A 27 -0.907 -12.888 6.436 1.00 0.00 C ATOM 392 O GLY A 27 -1.050 -13.472 5.380 1.00 0.00 O ATOM 0 H GLY A 27 -2.073 -15.154 6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.709 -13.117 8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.040 -13.626 8.272 1.00 0.00 H new ATOM 396 N THR A 28 -0.664 -11.607 6.473 1.00 0.00 N ATOM 397 CA THR A 28 -0.555 -10.833 5.203 1.00 0.00 C ATOM 398 C THR A 28 0.859 -10.959 4.628 1.00 0.00 C ATOM 399 O THR A 28 1.826 -10.548 5.238 1.00 0.00 O ATOM 400 CB THR A 28 -0.847 -9.383 5.595 1.00 0.00 C ATOM 401 OG1 THR A 28 -1.855 -9.360 6.597 1.00 0.00 O ATOM 402 CG2 THR A 28 -1.324 -8.606 4.370 1.00 0.00 C ATOM 0 H THR A 28 -0.536 -11.063 7.326 1.00 0.00 H new ATOM 0 HA THR A 28 -1.243 -11.194 4.439 1.00 0.00 H new ATOM 0 HB THR A 28 0.061 -8.921 5.982 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.043 -8.432 6.851 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.531 -7.574 4.652 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.549 -8.624 3.603 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.232 -9.065 3.979 1.00 0.00 H new ATOM 410 N TYR A 29 0.988 -11.524 3.459 1.00 0.00 N ATOM 411 CA TYR A 29 2.342 -11.673 2.853 1.00 0.00 C ATOM 412 C TYR A 29 2.456 -10.819 1.589 1.00 0.00 C ATOM 413 O TYR A 29 1.714 -9.878 1.393 1.00 0.00 O ATOM 414 CB TYR A 29 2.469 -13.158 2.509 1.00 0.00 C ATOM 415 CG TYR A 29 1.461 -13.525 1.445 1.00 0.00 C ATOM 416 CD1 TYR A 29 0.184 -13.966 1.813 1.00 0.00 C ATOM 417 CD2 TYR A 29 1.805 -13.429 0.091 1.00 0.00 C ATOM 418 CE1 TYR A 29 -0.748 -14.312 0.826 1.00 0.00 C ATOM 419 CE2 TYR A 29 0.874 -13.774 -0.895 1.00 0.00 C ATOM 420 CZ TYR A 29 -0.404 -14.215 -0.527 1.00 0.00 C ATOM 421 OH TYR A 29 -1.322 -14.557 -1.499 1.00 0.00 O ATOM 0 H TYR A 29 0.217 -11.888 2.899 1.00 0.00 H new ATOM 0 HA TYR A 29 3.130 -11.345 3.530 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.478 -13.374 2.157 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.306 -13.763 3.401 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.082 -14.039 2.857 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.790 -13.088 -0.193 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.733 -14.654 1.109 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.140 -13.700 -1.939 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.923 -14.431 -2.385 1.00 0.00 H new ATOM 431 N TYR A 30 3.383 -11.143 0.732 1.00 0.00 N ATOM 432 CA TYR A 30 3.550 -10.352 -0.521 1.00 0.00 C ATOM 433 C TYR A 30 3.654 -11.289 -1.727 1.00 0.00 C ATOM 434 O TYR A 30 4.474 -12.184 -1.762 1.00 0.00 O ATOM 435 CB TYR A 30 4.854 -9.577 -0.328 1.00 0.00 C ATOM 436 CG TYR A 30 4.727 -8.669 0.872 1.00 0.00 C ATOM 437 CD1 TYR A 30 4.155 -7.399 0.732 1.00 0.00 C ATOM 438 CD2 TYR A 30 5.182 -9.097 2.125 1.00 0.00 C ATOM 439 CE1 TYR A 30 4.037 -6.557 1.845 1.00 0.00 C ATOM 440 CE2 TYR A 30 5.064 -8.256 3.237 1.00 0.00 C ATOM 441 CZ TYR A 30 4.491 -6.986 3.098 1.00 0.00 C ATOM 442 OH TYR A 30 4.375 -6.157 4.195 1.00 0.00 O ATOM 0 H TYR A 30 4.033 -11.921 0.844 1.00 0.00 H new ATOM 0 HA TYR A 30 2.706 -9.688 -0.708 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.684 -10.270 -0.187 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.076 -8.990 -1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.805 -7.068 -0.235 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.624 -10.076 2.233 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.596 -5.577 1.737 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.415 -8.587 4.203 1.00 0.00 H new ATOM 0 HH TYR A 30 4.737 -6.608 4.986 1.00 0.00 H new ATOM 452 N TRP A 31 2.826 -11.092 -2.716 1.00 0.00 N ATOM 453 CA TRP A 31 2.875 -11.973 -3.917 1.00 0.00 C ATOM 454 C TRP A 31 3.793 -11.368 -4.981 1.00 0.00 C ATOM 455 O TRP A 31 3.655 -10.223 -5.360 1.00 0.00 O ATOM 456 CB TRP A 31 1.436 -12.032 -4.421 1.00 0.00 C ATOM 457 CG TRP A 31 1.411 -12.619 -5.797 1.00 0.00 C ATOM 458 CD1 TRP A 31 2.346 -13.457 -6.300 1.00 0.00 C ATOM 459 CD2 TRP A 31 0.423 -12.428 -6.850 1.00 0.00 C ATOM 460 NE1 TRP A 31 1.995 -13.793 -7.595 1.00 0.00 N ATOM 461 CE2 TRP A 31 0.817 -13.183 -7.980 1.00 0.00 C ATOM 462 CE3 TRP A 31 -0.766 -11.680 -6.935 1.00 0.00 C ATOM 463 CZ2 TRP A 31 0.061 -13.196 -9.152 1.00 0.00 C ATOM 464 CZ3 TRP A 31 -1.530 -11.691 -8.114 1.00 0.00 C ATOM 465 CH2 TRP A 31 -1.117 -12.448 -9.219 1.00 0.00 C ATOM 0 H TRP A 31 2.117 -10.359 -2.744 1.00 0.00 H new ATOM 0 HA TRP A 31 3.268 -12.963 -3.687 1.00 0.00 H new ATOM 0 HB2 TRP A 31 0.828 -12.635 -3.746 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.003 -11.032 -4.433 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.223 -13.807 -5.776 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.539 -14.415 -8.193 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -1.093 -11.094 -6.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 0.384 -13.780 -10.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.441 -11.113 -8.169 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.709 -12.453 -10.122 1.00 0.00 H new ATOM 476 N HIS A 32 4.729 -12.130 -5.468 1.00 0.00 N ATOM 477 CA HIS A 32 5.658 -11.601 -6.505 1.00 0.00 C ATOM 478 C HIS A 32 5.071 -11.843 -7.903 1.00 0.00 C ATOM 479 O HIS A 32 4.965 -12.961 -8.364 1.00 0.00 O ATOM 480 CB HIS A 32 6.957 -12.383 -6.294 1.00 0.00 C ATOM 481 CG HIS A 32 8.120 -11.603 -6.846 1.00 0.00 C ATOM 482 ND1 HIS A 32 9.334 -12.003 -7.349 1.00 0.00 N flip ATOM 483 CD2 HIS A 32 8.121 -10.218 -6.918 1.00 0.00 C flip ATOM 484 CE1 HIS A 32 10.076 -10.888 -7.727 1.00 0.00 C flip ATOM 485 NE2 HIS A 32 9.299 -9.839 -7.446 1.00 0.00 N flip ATOM 0 H HIS A 32 4.892 -13.099 -5.193 1.00 0.00 H new ATOM 0 HA HIS A 32 5.823 -10.527 -6.425 1.00 0.00 H new ATOM 0 HB2 HIS A 32 7.108 -12.575 -5.232 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.892 -13.353 -6.787 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.321 -9.563 -6.607 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.067 -10.874 -8.156 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.566 -8.869 -7.611 1.00 0.00 H new ATOM 493 N ILE A 33 4.665 -10.792 -8.561 1.00 0.00 N ATOM 494 CA ILE A 33 4.053 -10.921 -9.918 1.00 0.00 C ATOM 495 C ILE A 33 5.058 -11.377 -10.993 1.00 0.00 C ATOM 496 O ILE A 33 4.689 -12.109 -11.890 1.00 0.00 O ATOM 497 CB ILE A 33 3.547 -9.514 -10.240 1.00 0.00 C ATOM 498 CG1 ILE A 33 2.637 -9.024 -9.109 1.00 0.00 C ATOM 499 CG2 ILE A 33 2.759 -9.544 -11.550 1.00 0.00 C ATOM 500 CD1 ILE A 33 1.930 -7.738 -9.542 1.00 0.00 C ATOM 0 H ILE A 33 4.731 -9.836 -8.213 1.00 0.00 H new ATOM 0 HA ILE A 33 3.271 -11.681 -9.918 1.00 0.00 H new ATOM 0 HB ILE A 33 4.396 -8.838 -10.340 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.902 -9.790 -8.862 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.224 -8.843 -8.208 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.398 -8.542 -11.780 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.406 -9.891 -12.356 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.911 -10.221 -11.449 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.283 -7.390 -8.737 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.673 -6.973 -9.767 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.330 -7.934 -10.431 1.00 0.00 H new ATOM 512 N PRO A 34 6.283 -10.916 -10.907 1.00 0.00 N ATOM 513 CA PRO A 34 7.291 -11.285 -11.935 1.00 0.00 C ATOM 514 C PRO A 34 7.727 -12.748 -11.801 1.00 0.00 C ATOM 515 O PRO A 34 7.971 -13.420 -12.782 1.00 0.00 O ATOM 516 CB PRO A 34 8.452 -10.334 -11.662 1.00 0.00 C ATOM 517 CG PRO A 34 8.314 -9.951 -10.224 1.00 0.00 C ATOM 518 CD PRO A 34 6.850 -10.037 -9.873 1.00 0.00 C ATOM 0 HA PRO A 34 6.902 -11.197 -12.949 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.410 -10.818 -11.851 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.404 -9.458 -12.309 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.900 -10.618 -9.591 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.690 -8.941 -10.058 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.703 -10.450 -8.875 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.379 -9.054 -9.884 1.00 0.00 H new ATOM 526 N THR A 35 7.828 -13.250 -10.603 1.00 0.00 N ATOM 527 CA THR A 35 8.253 -14.670 -10.433 1.00 0.00 C ATOM 528 C THR A 35 7.134 -15.487 -9.782 1.00 0.00 C ATOM 529 O THR A 35 6.850 -16.599 -10.182 1.00 0.00 O ATOM 530 CB THR A 35 9.476 -14.613 -9.523 1.00 0.00 C ATOM 531 OG1 THR A 35 9.977 -13.284 -9.484 1.00 0.00 O ATOM 532 CG2 THR A 35 10.557 -15.551 -10.061 1.00 0.00 C ATOM 0 H THR A 35 7.637 -12.744 -9.738 1.00 0.00 H new ATOM 0 HA THR A 35 8.478 -15.148 -11.386 1.00 0.00 H new ATOM 0 HB THR A 35 9.194 -14.924 -8.517 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.447 -12.753 -8.853 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.431 -15.510 -9.411 1.00 0.00 H new ATOM 0 HG22 THR A 35 10.173 -16.571 -10.089 1.00 0.00 H new ATOM 0 HG23 THR A 35 10.839 -15.242 -11.067 1.00 0.00 H new ATOM 540 N GLY A 36 6.498 -14.943 -8.784 1.00 0.00 N ATOM 541 CA GLY A 36 5.396 -15.685 -8.107 1.00 0.00 C ATOM 542 C GLY A 36 5.819 -16.050 -6.683 1.00 0.00 C ATOM 543 O GLY A 36 5.057 -16.617 -5.925 1.00 0.00 O ATOM 0 H GLY A 36 6.693 -14.016 -8.406 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.494 -15.074 -8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.154 -16.588 -8.668 1.00 0.00 H new ATOM 547 N THR A 37 7.029 -15.730 -6.310 1.00 0.00 N ATOM 548 CA THR A 37 7.495 -16.062 -4.933 1.00 0.00 C ATOM 549 C THR A 37 6.715 -15.251 -3.897 1.00 0.00 C ATOM 550 O THR A 37 6.255 -14.163 -4.166 1.00 0.00 O ATOM 551 CB THR A 37 8.972 -15.671 -4.902 1.00 0.00 C ATOM 552 OG1 THR A 37 9.523 -15.790 -6.206 1.00 0.00 O ATOM 553 CG2 THR A 37 9.723 -16.591 -3.942 1.00 0.00 C ATOM 0 H THR A 37 7.713 -15.254 -6.898 1.00 0.00 H new ATOM 0 HA THR A 37 7.345 -17.115 -4.697 1.00 0.00 H new ATOM 0 HB THR A 37 9.067 -14.639 -4.563 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.470 -15.537 -6.185 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.776 -16.312 -3.920 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.301 -16.495 -2.941 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.628 -17.623 -4.278 1.00 0.00 H new ATOM 561 N THR A 38 6.570 -15.772 -2.713 1.00 0.00 N ATOM 562 CA THR A 38 5.822 -15.031 -1.656 1.00 0.00 C ATOM 563 C THR A 38 6.760 -14.697 -0.491 1.00 0.00 C ATOM 564 O THR A 38 7.883 -15.160 -0.436 1.00 0.00 O ATOM 565 CB THR A 38 4.723 -15.990 -1.199 1.00 0.00 C ATOM 566 OG1 THR A 38 5.037 -17.309 -1.623 1.00 0.00 O ATOM 567 CG2 THR A 38 3.386 -15.561 -1.806 1.00 0.00 C ATOM 0 H THR A 38 6.937 -16.680 -2.429 1.00 0.00 H new ATOM 0 HA THR A 38 5.412 -14.089 -2.021 1.00 0.00 H new ATOM 0 HB THR A 38 4.651 -15.967 -0.112 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.333 -17.924 -1.328 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.602 -16.245 -1.480 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.145 -14.550 -1.478 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.457 -15.582 -2.894 1.00 0.00 H new ATOM 575 N GLN A 39 6.314 -13.899 0.440 1.00 0.00 N ATOM 576 CA GLN A 39 7.188 -13.542 1.597 1.00 0.00 C ATOM 577 C GLN A 39 6.340 -13.276 2.845 1.00 0.00 C ATOM 578 O GLN A 39 5.292 -13.860 3.030 1.00 0.00 O ATOM 579 CB GLN A 39 7.919 -12.271 1.160 1.00 0.00 C ATOM 580 CG GLN A 39 8.749 -12.563 -0.091 1.00 0.00 C ATOM 581 CD GLN A 39 9.883 -11.542 -0.202 1.00 0.00 C ATOM 582 OE1 GLN A 39 9.688 -10.370 0.051 1.00 0.00 O ATOM 583 NE2 GLN A 39 11.069 -11.940 -0.574 1.00 0.00 N ATOM 0 H GLN A 39 5.385 -13.479 0.451 1.00 0.00 H new ATOM 0 HA GLN A 39 7.880 -14.344 1.855 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.200 -11.478 0.955 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.565 -11.916 1.963 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.158 -13.572 -0.042 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.117 -12.518 -0.978 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.233 -12.924 -0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.832 -11.267 -0.652 1.00 0.00 H new ATOM 592 N TRP A 40 6.788 -12.400 3.703 1.00 0.00 N ATOM 593 CA TRP A 40 6.010 -12.096 4.939 1.00 0.00 C ATOM 594 C TRP A 40 6.206 -10.629 5.336 1.00 0.00 C ATOM 595 O TRP A 40 5.291 -9.971 5.790 1.00 0.00 O ATOM 596 CB TRP A 40 6.586 -13.023 6.009 1.00 0.00 C ATOM 597 CG TRP A 40 6.237 -14.439 5.684 1.00 0.00 C ATOM 598 CD1 TRP A 40 7.095 -15.354 5.176 1.00 0.00 C ATOM 599 CD2 TRP A 40 4.956 -15.119 5.835 1.00 0.00 C ATOM 600 NE1 TRP A 40 6.423 -16.551 5.005 1.00 0.00 N ATOM 601 CE2 TRP A 40 5.102 -16.456 5.396 1.00 0.00 C ATOM 602 CE3 TRP A 40 3.696 -14.709 6.304 1.00 0.00 C ATOM 603 CZ2 TRP A 40 4.035 -17.355 5.421 1.00 0.00 C ATOM 604 CZ3 TRP A 40 2.619 -15.611 6.331 1.00 0.00 C ATOM 605 CH2 TRP A 40 2.789 -16.932 5.891 1.00 0.00 C ATOM 0 H TRP A 40 7.660 -11.881 3.602 1.00 0.00 H new ATOM 0 HA TRP A 40 4.939 -12.249 4.803 1.00 0.00 H new ATOM 0 HB2 TRP A 40 7.669 -12.907 6.061 1.00 0.00 H new ATOM 0 HB3 TRP A 40 6.190 -12.755 6.988 1.00 0.00 H new ATOM 0 HD1 TRP A 40 8.135 -15.178 4.942 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.851 -17.400 4.635 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.555 -13.694 6.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.171 -18.370 5.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.655 -15.285 6.693 1.00 0.00 H new ATOM 0 HH2 TRP A 40 1.958 -17.621 5.915 1.00 0.00 H new ATOM 616 N GLU A 41 7.392 -10.113 5.165 1.00 0.00 N ATOM 617 CA GLU A 41 7.649 -8.691 5.528 1.00 0.00 C ATOM 618 C GLU A 41 7.644 -7.817 4.271 1.00 0.00 C ATOM 619 O GLU A 41 7.703 -8.320 3.166 1.00 0.00 O ATOM 620 CB GLU A 41 9.034 -8.693 6.175 1.00 0.00 C ATOM 621 CG GLU A 41 8.952 -9.340 7.559 1.00 0.00 C ATOM 622 CD GLU A 41 9.543 -8.393 8.603 1.00 0.00 C ATOM 623 OE1 GLU A 41 10.566 -7.792 8.317 1.00 0.00 O ATOM 624 OE2 GLU A 41 8.963 -8.282 9.671 1.00 0.00 O ATOM 0 H GLU A 41 8.196 -10.616 4.789 1.00 0.00 H new ATOM 0 HA GLU A 41 6.888 -8.290 6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.739 -9.239 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.408 -7.673 6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.915 -9.567 7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.494 -10.285 7.562 1.00 0.00 H new ATOM 631 N PRO A 42 7.575 -6.531 4.483 1.00 0.00 N ATOM 632 CA PRO A 42 7.563 -5.571 3.351 1.00 0.00 C ATOM 633 C PRO A 42 8.951 -5.489 2.706 1.00 0.00 C ATOM 634 O PRO A 42 9.913 -5.127 3.352 1.00 0.00 O ATOM 635 CB PRO A 42 7.189 -4.246 4.011 1.00 0.00 C ATOM 636 CG PRO A 42 7.611 -4.393 5.439 1.00 0.00 C ATOM 637 CD PRO A 42 7.502 -5.855 5.783 1.00 0.00 C ATOM 0 HA PRO A 42 6.875 -5.854 2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.698 -3.409 3.533 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.119 -4.054 3.933 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.633 -4.040 5.577 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.976 -3.795 6.092 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.310 -6.171 6.443 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.566 -6.076 6.296 1.00 0.00 H new ATOM 645 N PRO A 43 9.004 -5.832 1.446 1.00 0.00 N ATOM 646 CA PRO A 43 10.288 -5.799 0.702 1.00 0.00 C ATOM 647 C PRO A 43 10.695 -4.354 0.402 1.00 0.00 C ATOM 648 O PRO A 43 9.865 -3.500 0.165 1.00 0.00 O ATOM 649 CB PRO A 43 9.975 -6.554 -0.587 1.00 0.00 C ATOM 650 CG PRO A 43 8.496 -6.415 -0.769 1.00 0.00 C ATOM 651 CD PRO A 43 7.888 -6.278 0.605 1.00 0.00 C ATOM 0 HA PRO A 43 11.116 -6.239 1.257 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.518 -6.132 -1.433 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.266 -7.602 -0.511 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.264 -5.543 -1.381 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.089 -7.284 -1.285 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.072 -5.556 0.610 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.478 -7.225 0.956 1.00 0.00 H new ATOM 659 N GLY A 44 11.970 -4.074 0.412 1.00 0.00 N ATOM 660 CA GLY A 44 12.429 -2.686 0.126 1.00 0.00 C ATOM 661 C GLY A 44 13.670 -2.730 -0.767 1.00 0.00 C ATOM 662 O GLY A 44 14.599 -3.474 -0.518 1.00 0.00 O ATOM 0 H GLY A 44 12.712 -4.746 0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.635 -2.123 -0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.657 -2.168 1.058 1.00 0.00 H new ATOM 666 N ARG A 45 13.694 -1.940 -1.805 1.00 0.00 N ATOM 667 CA ARG A 45 14.875 -1.937 -2.713 1.00 0.00 C ATOM 668 C ARG A 45 15.712 -0.675 -2.485 1.00 0.00 C ATOM 669 O ARG A 45 15.621 0.283 -3.227 1.00 0.00 O ATOM 670 CB ARG A 45 14.289 -1.944 -4.126 1.00 0.00 C ATOM 671 CG ARG A 45 15.097 -2.896 -5.010 1.00 0.00 C ATOM 672 CD ARG A 45 16.526 -2.368 -5.156 1.00 0.00 C ATOM 673 NE ARG A 45 17.378 -3.369 -4.455 1.00 0.00 N ATOM 674 CZ ARG A 45 18.022 -4.273 -5.142 1.00 0.00 C ATOM 675 NH1 ARG A 45 17.546 -4.683 -6.287 1.00 0.00 N ATOM 676 NH2 ARG A 45 19.138 -4.769 -4.684 1.00 0.00 N ATOM 0 H ARG A 45 12.946 -1.296 -2.064 1.00 0.00 H new ATOM 0 HA ARG A 45 15.532 -2.790 -2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.245 -2.256 -4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 45 14.309 -0.938 -4.544 1.00 0.00 H new ATOM 0 HG2 ARG A 45 15.110 -3.894 -4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 45 14.629 -2.985 -5.990 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.808 -2.275 -6.205 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.629 -1.379 -4.709 1.00 0.00 H new ATOM 0 HE ARG A 45 17.458 -3.348 -3.438 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.672 -4.297 -6.644 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.048 -5.389 -6.825 1.00 0.00 H new ATOM 0 HH21 ARG A 45 19.508 -4.451 -3.788 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.641 -5.475 -5.221 1.00 0.00 H new ATOM 690 N ALA A 46 16.526 -0.668 -1.465 1.00 0.00 N ATOM 691 CA ALA A 46 17.367 0.534 -1.191 1.00 0.00 C ATOM 692 C ALA A 46 18.059 1.000 -2.475 1.00 0.00 C ATOM 693 O ALA A 46 18.010 0.340 -3.494 1.00 0.00 O ATOM 694 CB ALA A 46 18.399 0.069 -0.164 1.00 0.00 C ATOM 0 H ALA A 46 16.646 -1.441 -0.810 1.00 0.00 H new ATOM 0 HA ALA A 46 16.778 1.375 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.058 0.899 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.888 -0.277 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.988 -0.747 -0.584 1.00 0.00 H new ATOM 700 N SER A 47 18.704 2.134 -2.433 1.00 0.00 N ATOM 701 CA SER A 47 19.399 2.642 -3.651 1.00 0.00 C ATOM 702 C SER A 47 18.461 2.579 -4.859 1.00 0.00 C ATOM 703 O SER A 47 18.608 1.732 -5.717 1.00 0.00 O ATOM 704 CB SER A 47 20.590 1.705 -3.847 1.00 0.00 C ATOM 705 OG SER A 47 21.775 2.476 -3.987 1.00 0.00 O ATOM 0 H SER A 47 18.780 2.730 -1.609 1.00 0.00 H new ATOM 0 HA SER A 47 19.712 3.681 -3.546 1.00 0.00 H new ATOM 0 HB2 SER A 47 20.680 1.030 -2.996 1.00 0.00 H new ATOM 0 HB3 SER A 47 20.439 1.086 -4.731 1.00 0.00 H new ATOM 0 HG SER A 47 22.181 2.297 -4.861 1.00 0.00 H new ATOM 711 N PRO A 48 17.524 3.487 -4.882 1.00 0.00 N ATOM 712 CA PRO A 48 16.545 3.544 -5.995 1.00 0.00 C ATOM 713 C PRO A 48 17.210 4.080 -7.265 1.00 0.00 C ATOM 714 O PRO A 48 17.466 5.261 -7.393 1.00 0.00 O ATOM 715 CB PRO A 48 15.483 4.514 -5.485 1.00 0.00 C ATOM 716 CG PRO A 48 16.187 5.370 -4.482 1.00 0.00 C ATOM 717 CD PRO A 48 17.291 4.536 -3.884 1.00 0.00 C ATOM 0 HA PRO A 48 16.135 2.569 -6.257 1.00 0.00 H new ATOM 0 HB2 PRO A 48 15.074 5.114 -6.298 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.648 3.981 -5.031 1.00 0.00 H new ATOM 0 HG2 PRO A 48 16.593 6.264 -4.956 1.00 0.00 H new ATOM 0 HG3 PRO A 48 15.496 5.705 -3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 48 18.189 5.128 -3.710 1.00 0.00 H new ATOM 0 HD3 PRO A 48 16.997 4.114 -2.923 1.00 0.00 H new ATOM 725 N SER A 49 17.494 3.222 -8.205 1.00 0.00 N ATOM 726 CA SER A 49 18.142 3.682 -9.466 1.00 0.00 C ATOM 727 C SER A 49 19.483 4.355 -9.157 1.00 0.00 C ATOM 728 O SER A 49 19.946 5.205 -9.891 1.00 0.00 O ATOM 729 CB SER A 49 17.165 4.688 -10.070 1.00 0.00 C ATOM 730 OG SER A 49 15.870 4.105 -10.134 1.00 0.00 O ATOM 0 H SER A 49 17.305 2.221 -8.155 1.00 0.00 H new ATOM 0 HA SER A 49 18.350 2.857 -10.147 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.139 5.595 -9.466 1.00 0.00 H new ATOM 0 HB3 SER A 49 17.495 4.979 -11.067 1.00 0.00 H new ATOM 0 HG SER A 49 15.240 4.749 -10.520 1.00 0.00 H new ATOM 736 N GLN A 50 20.109 3.981 -8.076 1.00 0.00 N ATOM 737 CA GLN A 50 21.419 4.599 -7.720 1.00 0.00 C ATOM 738 C GLN A 50 22.055 3.853 -6.544 1.00 0.00 C ATOM 739 O GLN A 50 22.593 4.513 -5.671 1.00 0.00 O ATOM 740 CB GLN A 50 21.084 6.038 -7.324 1.00 0.00 C ATOM 741 CG GLN A 50 19.974 6.033 -6.271 1.00 0.00 C ATOM 742 CD GLN A 50 20.427 6.833 -5.048 1.00 0.00 C ATOM 743 OE1 GLN A 50 20.036 8.070 -4.911 1.00 0.00 O flip ATOM 744 NE2 GLN A 50 21.146 6.327 -4.209 1.00 0.00 N flip ATOM 745 OXT GLN A 50 21.991 2.634 -6.537 1.00 0.00 O ATOM 0 H GLN A 50 19.771 3.274 -7.423 1.00 0.00 H new ATOM 0 HA GLN A 50 22.132 4.558 -8.544 1.00 0.00 H new ATOM 0 HB2 GLN A 50 21.971 6.534 -6.930 1.00 0.00 H new ATOM 0 HB3 GLN A 50 20.766 6.603 -8.200 1.00 0.00 H new ATOM 0 HG2 GLN A 50 19.063 6.466 -6.685 1.00 0.00 H new ATOM 0 HG3 GLN A 50 19.737 5.009 -5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 50 21.452 5.360 -4.316 1.00 0.00 H new ATOM 0 HE22 GLN A 50 21.444 6.869 -3.398 1.00 0.00 H new TER 754 GLN A 50