USER MOD reduce.3.24.130724 H: found=0, std=0, add=352, rem=0, adj=15 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 32 HIS : no HD1:sc= -17.3! C(o=-19!,f=-27!) USER MOD Set 1.2: A 35 THR OG1 : rot -151:sc= -1.75 USER MOD Single : A 1 ASP N :NH3+ -115:sc= 0.00763 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.957 K(o=-0.96,f=-5.2!) USER MOD Single : A 7 ASN : amide:sc= -1.64 K(o=-1.6,f=-9.6!) USER MOD Single : A 11 THR OG1 : rot 101:sc= 0.0379 USER MOD Single : A 13 SER OG : rot 180:sc= 0.118 USER MOD Single : A 20 MET CE :methyl -130:sc= -8.14! (180deg=-18.1!) USER MOD Single : A 23 GLN : amide:sc= -2.98 K(o=-3,f=-8.5!) USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00292 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0568 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.521 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00781 USER MOD Single : A 39 GLN : amide:sc= -5.27! C(o=-5.3!,f=-7.2!) USER MOD Single : A 47 SER OG : rot 65:sc= -0.804! USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0.0076) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 2.533 16.073 10.973 1.00 0.00 N ATOM 2 CA ASP A 1 2.390 14.653 11.403 1.00 0.00 C ATOM 3 C ASP A 1 0.949 14.179 11.194 1.00 0.00 C ATOM 4 O ASP A 1 0.011 14.941 11.321 1.00 0.00 O ATOM 5 CB ASP A 1 2.744 14.652 12.891 1.00 0.00 C ATOM 6 CG ASP A 1 3.118 13.233 13.326 1.00 0.00 C ATOM 7 OD1 ASP A 1 3.454 12.440 12.463 1.00 0.00 O ATOM 8 OD2 ASP A 1 3.061 12.967 14.515 1.00 0.00 O ATOM 0 H1 ASP A 1 3.175 16.125 10.156 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.601 16.450 10.706 1.00 0.00 H new ATOM 0 H3 ASP A 1 2.923 16.635 11.756 1.00 0.00 H new ATOM 0 HA ASP A 1 3.031 13.982 10.831 1.00 0.00 H new ATOM 0 HB2 ASP A 1 3.575 15.332 13.078 1.00 0.00 H new ATOM 0 HB3 ASP A 1 1.899 15.012 13.477 1.00 0.00 H new ATOM 13 N SER A 2 0.766 12.928 10.873 1.00 0.00 N ATOM 14 CA SER A 2 -0.614 12.407 10.653 1.00 0.00 C ATOM 15 C SER A 2 -1.063 11.574 11.857 1.00 0.00 C ATOM 16 O SER A 2 -0.268 11.197 12.695 1.00 0.00 O ATOM 17 CB SER A 2 -0.513 11.532 9.406 1.00 0.00 C ATOM 18 OG SER A 2 -1.677 11.712 8.610 1.00 0.00 O ATOM 0 H SER A 2 1.512 12.243 10.753 1.00 0.00 H new ATOM 0 HA SER A 2 -1.343 13.208 10.531 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.377 11.795 8.834 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.411 10.485 9.690 1.00 0.00 H new ATOM 0 HG SER A 2 -1.614 11.153 7.808 1.00 0.00 H new ATOM 24 N PHE A 3 -2.332 11.285 11.949 1.00 0.00 N ATOM 25 CA PHE A 3 -2.832 10.476 13.098 1.00 0.00 C ATOM 26 C PHE A 3 -3.308 9.104 12.613 1.00 0.00 C ATOM 27 O PHE A 3 -2.764 8.540 11.684 1.00 0.00 O ATOM 28 CB PHE A 3 -4.001 11.278 13.670 1.00 0.00 C ATOM 29 CG PHE A 3 -3.527 12.661 14.049 1.00 0.00 C ATOM 30 CD1 PHE A 3 -2.281 12.830 14.663 1.00 0.00 C ATOM 31 CD2 PHE A 3 -4.336 13.773 13.787 1.00 0.00 C ATOM 32 CE1 PHE A 3 -1.843 14.113 15.015 1.00 0.00 C ATOM 33 CE2 PHE A 3 -3.897 15.055 14.140 1.00 0.00 C ATOM 34 CZ PHE A 3 -2.651 15.224 14.754 1.00 0.00 C ATOM 0 H PHE A 3 -3.045 11.574 11.279 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.057 10.297 13.844 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -4.803 11.346 12.935 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -4.411 10.771 14.543 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -1.657 11.972 14.865 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -5.298 13.642 13.313 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.881 14.244 15.488 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.520 15.914 13.938 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.313 16.213 15.026 1.00 0.00 H new ATOM 44 N TRP A 4 -4.321 8.563 13.233 1.00 0.00 N ATOM 45 CA TRP A 4 -4.831 7.228 12.807 1.00 0.00 C ATOM 46 C TRP A 4 -4.955 7.169 11.282 1.00 0.00 C ATOM 47 O TRP A 4 -5.411 8.101 10.651 1.00 0.00 O ATOM 48 CB TRP A 4 -6.210 7.108 13.459 1.00 0.00 C ATOM 49 CG TRP A 4 -6.092 6.341 14.737 1.00 0.00 C ATOM 50 CD1 TRP A 4 -5.269 6.660 15.763 1.00 0.00 C ATOM 51 CD2 TRP A 4 -6.806 5.137 15.143 1.00 0.00 C ATOM 52 NE1 TRP A 4 -5.433 5.729 16.773 1.00 0.00 N ATOM 53 CE2 TRP A 4 -6.369 4.770 16.438 1.00 0.00 C ATOM 54 CE3 TRP A 4 -7.780 4.337 14.520 1.00 0.00 C ATOM 55 CZ2 TRP A 4 -6.881 3.649 17.092 1.00 0.00 C ATOM 56 CZ3 TRP A 4 -8.298 3.207 15.174 1.00 0.00 C ATOM 57 CH2 TRP A 4 -7.849 2.864 16.457 1.00 0.00 C ATOM 0 H TRP A 4 -4.818 8.987 14.016 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.165 6.418 13.103 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.619 8.099 13.654 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -6.901 6.605 12.783 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -4.595 7.503 15.789 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.925 5.748 17.657 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -8.132 4.593 13.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -6.533 3.389 18.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -9.046 2.599 14.686 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -8.250 1.994 16.955 1.00 0.00 H new ATOM 68 N ASN A 5 -4.555 6.079 10.687 1.00 0.00 N ATOM 69 CA ASN A 5 -4.653 5.961 9.205 1.00 0.00 C ATOM 70 C ASN A 5 -6.097 5.657 8.796 1.00 0.00 C ATOM 71 O ASN A 5 -6.712 4.751 9.323 1.00 0.00 O ATOM 72 CB ASN A 5 -3.736 4.794 8.844 1.00 0.00 C ATOM 73 CG ASN A 5 -2.306 5.114 9.281 1.00 0.00 C ATOM 74 OD1 ASN A 5 -2.083 6.019 10.060 1.00 0.00 O ATOM 75 ND2 ASN A 5 -1.318 4.403 8.808 1.00 0.00 N ATOM 0 H ASN A 5 -4.165 5.265 11.163 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.365 6.880 8.694 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.081 3.882 9.332 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.767 4.612 7.770 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -0.360 4.608 9.093 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.504 3.643 8.154 1.00 0.00 H new ATOM 82 N PRO A 6 -6.592 6.428 7.865 1.00 0.00 N ATOM 83 CA PRO A 6 -7.981 6.239 7.380 1.00 0.00 C ATOM 84 C PRO A 6 -8.074 4.991 6.499 1.00 0.00 C ATOM 85 O PRO A 6 -9.092 4.331 6.446 1.00 0.00 O ATOM 86 CB PRO A 6 -8.250 7.501 6.566 1.00 0.00 C ATOM 87 CG PRO A 6 -6.900 7.980 6.134 1.00 0.00 C ATOM 88 CD PRO A 6 -5.914 7.536 7.185 1.00 0.00 C ATOM 0 HA PRO A 6 -8.701 6.096 8.186 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.886 7.288 5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.763 8.254 7.164 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.638 7.566 5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -6.891 9.065 6.032 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.973 7.214 6.738 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -5.678 8.344 7.877 1.00 0.00 H new ATOM 96 N ASN A 7 -7.018 4.665 5.808 1.00 0.00 N ATOM 97 CA ASN A 7 -7.043 3.463 4.929 1.00 0.00 C ATOM 98 C ASN A 7 -6.688 2.209 5.733 1.00 0.00 C ATOM 99 O ASN A 7 -6.331 1.188 5.180 1.00 0.00 O ATOM 100 CB ASN A 7 -5.983 3.738 3.864 1.00 0.00 C ATOM 101 CG ASN A 7 -4.620 3.925 4.533 1.00 0.00 C ATOM 102 OD1 ASN A 7 -4.525 3.955 5.744 1.00 0.00 O ATOM 103 ND2 ASN A 7 -3.555 4.051 3.791 1.00 0.00 N ATOM 0 H ASN A 7 -6.137 5.180 5.814 1.00 0.00 H new ATOM 0 HA ASN A 7 -8.026 3.288 4.493 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.941 2.910 3.156 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.246 4.630 3.296 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.641 4.175 4.227 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.636 4.026 2.775 1.00 0.00 H new ATOM 110 N ALA A 8 -6.784 2.277 7.033 1.00 0.00 N ATOM 111 CA ALA A 8 -6.451 1.085 7.866 1.00 0.00 C ATOM 112 C ALA A 8 -7.061 -0.176 7.249 1.00 0.00 C ATOM 113 O ALA A 8 -6.574 -1.273 7.439 1.00 0.00 O ATOM 114 CB ALA A 8 -7.076 1.369 9.233 1.00 0.00 C ATOM 0 H ALA A 8 -7.078 3.104 7.554 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.376 0.917 7.937 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.874 0.535 9.906 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.646 2.281 9.647 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.153 1.493 9.122 1.00 0.00 H new ATOM 120 N PHE A 9 -8.125 -0.027 6.507 1.00 0.00 N ATOM 121 CA PHE A 9 -8.767 -1.214 5.874 1.00 0.00 C ATOM 122 C PHE A 9 -8.865 -1.012 4.360 1.00 0.00 C ATOM 123 O PHE A 9 -9.894 -0.628 3.841 1.00 0.00 O ATOM 124 CB PHE A 9 -10.161 -1.290 6.498 1.00 0.00 C ATOM 125 CG PHE A 9 -10.669 -2.710 6.426 1.00 0.00 C ATOM 126 CD1 PHE A 9 -10.990 -3.277 5.187 1.00 0.00 C ATOM 127 CD2 PHE A 9 -10.819 -3.460 7.599 1.00 0.00 C ATOM 128 CE1 PHE A 9 -11.462 -4.593 5.121 1.00 0.00 C ATOM 129 CE2 PHE A 9 -11.291 -4.775 7.533 1.00 0.00 C ATOM 130 CZ PHE A 9 -11.612 -5.343 6.294 1.00 0.00 C ATOM 0 H PHE A 9 -8.577 0.866 6.312 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.199 -2.130 6.037 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -10.125 -0.958 7.535 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.843 -0.622 5.973 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -10.873 -2.699 4.282 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.570 -3.023 8.555 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.711 -5.030 4.165 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -11.408 -5.353 8.438 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.975 -6.359 6.243 1.00 0.00 H new ATOM 140 N GLU A 10 -7.801 -1.266 3.647 1.00 0.00 N ATOM 141 CA GLU A 10 -7.835 -1.085 2.168 1.00 0.00 C ATOM 142 C GLU A 10 -6.920 -2.107 1.485 1.00 0.00 C ATOM 143 O GLU A 10 -6.557 -3.113 2.061 1.00 0.00 O ATOM 144 CB GLU A 10 -7.320 0.335 1.933 1.00 0.00 C ATOM 145 CG GLU A 10 -8.304 1.093 1.038 1.00 0.00 C ATOM 146 CD GLU A 10 -7.692 2.435 0.629 1.00 0.00 C ATOM 147 OE1 GLU A 10 -6.476 2.530 0.612 1.00 0.00 O ATOM 148 OE2 GLU A 10 -8.452 3.345 0.340 1.00 0.00 O ATOM 0 H GLU A 10 -6.911 -1.591 4.025 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.834 -1.232 1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.204 0.853 2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.336 0.304 1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.536 0.502 0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.243 1.256 1.567 1.00 0.00 H new ATOM 155 N THR A 11 -6.548 -1.855 0.261 1.00 0.00 N ATOM 156 CA THR A 11 -5.659 -2.809 -0.464 1.00 0.00 C ATOM 157 C THR A 11 -4.195 -2.557 -0.095 1.00 0.00 C ATOM 158 O THR A 11 -3.894 -1.965 0.922 1.00 0.00 O ATOM 159 CB THR A 11 -5.896 -2.520 -1.948 1.00 0.00 C ATOM 160 OG1 THR A 11 -7.218 -2.031 -2.127 1.00 0.00 O ATOM 161 CG2 THR A 11 -5.710 -3.804 -2.757 1.00 0.00 C ATOM 0 H THR A 11 -6.821 -1.028 -0.271 1.00 0.00 H new ATOM 0 HA THR A 11 -5.874 -3.847 -0.210 1.00 0.00 H new ATOM 0 HB THR A 11 -5.181 -1.772 -2.292 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.196 -1.056 -2.222 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.879 -3.596 -3.814 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.695 -4.177 -2.619 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.423 -4.555 -2.416 1.00 0.00 H new ATOM 169 N ASP A 12 -3.287 -3.006 -0.916 1.00 0.00 N ATOM 170 CA ASP A 12 -1.839 -2.799 -0.622 1.00 0.00 C ATOM 171 C ASP A 12 -1.601 -1.389 -0.074 1.00 0.00 C ATOM 172 O ASP A 12 -2.418 -0.503 -0.236 1.00 0.00 O ATOM 173 CB ASP A 12 -1.137 -2.977 -1.967 1.00 0.00 C ATOM 174 CG ASP A 12 -1.505 -1.816 -2.894 1.00 0.00 C ATOM 175 OD1 ASP A 12 -2.688 -1.600 -3.097 1.00 0.00 O ATOM 176 OD2 ASP A 12 -0.599 -1.163 -3.382 1.00 0.00 O ATOM 0 H ASP A 12 -3.485 -3.509 -1.781 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.467 -3.495 0.130 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.057 -3.013 -1.823 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.430 -3.924 -2.419 1.00 0.00 H new ATOM 181 N SER A 13 -0.489 -1.175 0.573 1.00 0.00 N ATOM 182 CA SER A 13 -0.198 0.176 1.131 1.00 0.00 C ATOM 183 C SER A 13 0.784 0.921 0.227 1.00 0.00 C ATOM 184 O SER A 13 0.487 1.979 -0.295 1.00 0.00 O ATOM 185 CB SER A 13 0.427 -0.088 2.500 1.00 0.00 C ATOM 186 OG SER A 13 1.170 -1.300 2.450 1.00 0.00 O ATOM 0 H SER A 13 0.231 -1.878 0.740 1.00 0.00 H new ATOM 0 HA SER A 13 -1.093 0.794 1.204 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.078 0.740 2.782 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.350 -0.155 3.261 1.00 0.00 H new ATOM 0 HG SER A 13 1.574 -1.472 3.326 1.00 0.00 H new ATOM 192 N ASP A 14 1.952 0.378 0.038 1.00 0.00 N ATOM 193 CA ASP A 14 2.958 1.051 -0.832 1.00 0.00 C ATOM 194 C ASP A 14 4.144 0.117 -1.091 1.00 0.00 C ATOM 195 O ASP A 14 5.213 0.288 -0.540 1.00 0.00 O ATOM 196 CB ASP A 14 3.404 2.282 -0.044 1.00 0.00 C ATOM 197 CG ASP A 14 3.350 3.514 -0.950 1.00 0.00 C ATOM 198 OD1 ASP A 14 2.573 3.499 -1.890 1.00 0.00 O ATOM 199 OD2 ASP A 14 4.085 4.451 -0.687 1.00 0.00 O ATOM 0 H ASP A 14 2.256 -0.505 0.449 1.00 0.00 H new ATOM 0 HA ASP A 14 2.548 1.319 -1.806 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.759 2.426 0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 14 4.417 2.139 0.333 1.00 0.00 H new ATOM 204 N LEU A 15 3.962 -0.868 -1.928 1.00 0.00 N ATOM 205 CA LEU A 15 5.077 -1.812 -2.225 1.00 0.00 C ATOM 206 C LEU A 15 5.762 -1.417 -3.536 1.00 0.00 C ATOM 207 O LEU A 15 5.276 -0.568 -4.257 1.00 0.00 O ATOM 208 CB LEU A 15 4.405 -3.181 -2.349 1.00 0.00 C ATOM 209 CG LEU A 15 4.284 -3.816 -0.962 1.00 0.00 C ATOM 210 CD1 LEU A 15 5.679 -4.101 -0.403 1.00 0.00 C ATOM 211 CD2 LEU A 15 3.550 -2.852 -0.026 1.00 0.00 C ATOM 0 H LEU A 15 3.089 -1.060 -2.419 1.00 0.00 H new ATOM 0 HA LEU A 15 5.849 -1.808 -1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.418 -3.074 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.988 -3.826 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 15 3.727 -4.750 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.590 -4.553 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.205 -4.785 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.238 -3.168 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.462 -3.301 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.110 -1.919 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.555 -2.648 -0.421 1.00 0.00 H new ATOM 223 N PRO A 16 6.876 -2.047 -3.801 1.00 0.00 N ATOM 224 CA PRO A 16 7.639 -1.753 -5.039 1.00 0.00 C ATOM 225 C PRO A 16 6.884 -2.256 -6.273 1.00 0.00 C ATOM 226 O PRO A 16 5.713 -2.574 -6.208 1.00 0.00 O ATOM 227 CB PRO A 16 8.947 -2.516 -4.845 1.00 0.00 C ATOM 228 CG PRO A 16 8.612 -3.611 -3.885 1.00 0.00 C ATOM 229 CD PRO A 16 7.524 -3.082 -2.987 1.00 0.00 C ATOM 0 HA PRO A 16 7.795 -0.686 -5.201 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.315 -2.917 -5.790 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.728 -1.867 -4.448 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.276 -4.502 -4.416 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.488 -3.898 -3.304 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.822 -3.866 -2.703 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.931 -2.669 -2.064 1.00 0.00 H new ATOM 237 N ALA A 17 7.544 -2.324 -7.397 1.00 0.00 N ATOM 238 CA ALA A 17 6.861 -2.798 -8.635 1.00 0.00 C ATOM 239 C ALA A 17 6.957 -4.321 -8.753 1.00 0.00 C ATOM 240 O ALA A 17 8.031 -4.887 -8.788 1.00 0.00 O ATOM 241 CB ALA A 17 7.613 -2.125 -9.784 1.00 0.00 C ATOM 0 H ALA A 17 8.526 -2.072 -7.512 1.00 0.00 H new ATOM 0 HA ALA A 17 5.800 -2.549 -8.637 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.169 -2.424 -10.734 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.547 -1.042 -9.677 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.660 -2.428 -9.761 1.00 0.00 H new ATOM 247 N GLY A 18 5.837 -4.987 -8.821 1.00 0.00 N ATOM 248 CA GLY A 18 5.853 -6.471 -8.944 1.00 0.00 C ATOM 249 C GLY A 18 5.631 -7.108 -7.572 1.00 0.00 C ATOM 250 O GLY A 18 5.682 -8.308 -7.428 1.00 0.00 O ATOM 0 H GLY A 18 4.909 -4.565 -8.797 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.076 -6.796 -9.636 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.806 -6.800 -9.358 1.00 0.00 H new ATOM 254 N TRP A 19 5.386 -6.323 -6.562 1.00 0.00 N ATOM 255 CA TRP A 19 5.158 -6.912 -5.213 1.00 0.00 C ATOM 256 C TRP A 19 3.756 -6.554 -4.715 1.00 0.00 C ATOM 257 O TRP A 19 3.339 -5.414 -4.771 1.00 0.00 O ATOM 258 CB TRP A 19 6.231 -6.293 -4.325 1.00 0.00 C ATOM 259 CG TRP A 19 7.474 -7.110 -4.432 1.00 0.00 C ATOM 260 CD1 TRP A 19 8.585 -6.747 -5.108 1.00 0.00 C ATOM 261 CD2 TRP A 19 7.746 -8.426 -3.869 1.00 0.00 C ATOM 262 NE1 TRP A 19 9.528 -7.753 -4.993 1.00 0.00 N ATOM 263 CE2 TRP A 19 9.056 -8.811 -4.239 1.00 0.00 C ATOM 264 CE3 TRP A 19 6.990 -9.312 -3.081 1.00 0.00 C ATOM 265 CZ2 TRP A 19 9.598 -10.034 -3.840 1.00 0.00 C ATOM 266 CZ3 TRP A 19 7.532 -10.544 -2.679 1.00 0.00 C ATOM 267 CH2 TRP A 19 8.833 -10.904 -3.058 1.00 0.00 C ATOM 0 H TRP A 19 5.334 -5.305 -6.610 1.00 0.00 H new ATOM 0 HA TRP A 19 5.220 -8.000 -5.216 1.00 0.00 H new ATOM 0 HB2 TRP A 19 6.427 -5.265 -4.631 1.00 0.00 H new ATOM 0 HB3 TRP A 19 5.890 -6.258 -3.290 1.00 0.00 H new ATOM 0 HD1 TRP A 19 8.716 -5.822 -5.650 1.00 0.00 H new ATOM 0 HE1 TRP A 19 10.457 -7.718 -5.413 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.987 -9.044 -2.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 10.601 -10.306 -4.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 6.943 -11.218 -2.074 1.00 0.00 H new ATOM 0 HH2 TRP A 19 9.244 -11.853 -2.746 1.00 0.00 H new ATOM 278 N MET A 20 3.022 -7.524 -4.242 1.00 0.00 N ATOM 279 CA MET A 20 1.642 -7.244 -3.756 1.00 0.00 C ATOM 280 C MET A 20 1.511 -7.583 -2.269 1.00 0.00 C ATOM 281 O MET A 20 2.367 -8.219 -1.687 1.00 0.00 O ATOM 282 CB MET A 20 0.746 -8.157 -4.593 1.00 0.00 C ATOM 283 CG MET A 20 1.048 -7.942 -6.076 1.00 0.00 C ATOM 284 SD MET A 20 0.968 -6.173 -6.451 1.00 0.00 S ATOM 285 CE MET A 20 2.500 -6.075 -7.408 1.00 0.00 C ATOM 0 H MET A 20 3.318 -8.497 -4.171 1.00 0.00 H new ATOM 0 HA MET A 20 1.376 -6.192 -3.858 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.916 -9.199 -4.323 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.303 -7.942 -4.389 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.036 -8.333 -6.318 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.330 -8.488 -6.688 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.109 -5.252 -7.036 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.052 -7.009 -7.308 1.00 0.00 H new ATOM 0 HE3 MET A 20 2.263 -5.905 -8.458 1.00 0.00 H new ATOM 295 N ARG A 21 0.438 -7.165 -1.660 1.00 0.00 N ATOM 296 CA ARG A 21 0.228 -7.459 -0.212 1.00 0.00 C ATOM 297 C ARG A 21 -1.060 -8.266 -0.037 1.00 0.00 C ATOM 298 O ARG A 21 -2.150 -7.742 -0.155 1.00 0.00 O ATOM 299 CB ARG A 21 0.099 -6.089 0.454 1.00 0.00 C ATOM 300 CG ARG A 21 0.255 -6.236 1.969 1.00 0.00 C ATOM 301 CD ARG A 21 -0.258 -4.970 2.659 1.00 0.00 C ATOM 302 NE ARG A 21 -1.262 -5.450 3.649 1.00 0.00 N ATOM 303 CZ ARG A 21 -1.003 -5.379 4.926 1.00 0.00 C ATOM 304 NH1 ARG A 21 0.222 -5.524 5.352 1.00 0.00 N ATOM 305 NH2 ARG A 21 -1.968 -5.164 5.778 1.00 0.00 N ATOM 0 H ARG A 21 -0.308 -6.629 -2.104 1.00 0.00 H new ATOM 0 HA ARG A 21 1.039 -8.043 0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.859 -5.411 0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.871 -5.650 0.219 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.301 -7.105 2.320 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.302 -6.403 2.223 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.553 -4.431 3.149 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.708 -4.284 1.941 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.151 -5.834 3.329 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.977 -5.693 4.687 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.425 -5.469 6.350 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.926 -5.051 5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.764 -5.109 6.776 1.00 0.00 H new ATOM 319 N VAL A 22 -0.947 -9.537 0.230 1.00 0.00 N ATOM 320 CA VAL A 22 -2.174 -10.367 0.395 1.00 0.00 C ATOM 321 C VAL A 22 -2.391 -10.737 1.858 1.00 0.00 C ATOM 322 O VAL A 22 -1.466 -10.825 2.633 1.00 0.00 O ATOM 323 CB VAL A 22 -1.913 -11.635 -0.405 1.00 0.00 C ATOM 324 CG1 VAL A 22 -3.227 -12.383 -0.622 1.00 0.00 C ATOM 325 CG2 VAL A 22 -1.289 -11.280 -1.756 1.00 0.00 C ATOM 0 H VAL A 22 -0.064 -10.035 0.341 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.060 -9.828 0.059 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.223 -12.272 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.039 -13.291 -1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.659 -12.646 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.922 -11.746 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.105 -12.193 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.970 -10.637 -2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.346 -10.757 -1.595 1.00 0.00 H new ATOM 335 N GLN A 23 -3.613 -10.976 2.220 1.00 0.00 N ATOM 336 CA GLN A 23 -3.932 -11.375 3.616 1.00 0.00 C ATOM 337 C GLN A 23 -4.654 -12.724 3.597 1.00 0.00 C ATOM 338 O GLN A 23 -5.867 -12.787 3.612 1.00 0.00 O ATOM 339 CB GLN A 23 -4.847 -10.275 4.154 1.00 0.00 C ATOM 340 CG GLN A 23 -5.820 -9.831 3.063 1.00 0.00 C ATOM 341 CD GLN A 23 -5.230 -8.642 2.303 1.00 0.00 C ATOM 342 OE1 GLN A 23 -4.603 -8.811 1.276 1.00 0.00 O ATOM 343 NE2 GLN A 23 -5.406 -7.434 2.767 1.00 0.00 N ATOM 0 H GLN A 23 -4.420 -10.911 1.599 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.044 -11.485 4.238 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.399 -10.640 5.020 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.252 -9.426 4.490 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.013 -10.655 2.376 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.777 -9.554 3.506 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.932 -7.290 3.629 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.017 -6.634 2.267 1.00 0.00 H new ATOM 352 N ASP A 24 -3.926 -13.804 3.544 1.00 0.00 N ATOM 353 CA ASP A 24 -4.586 -15.138 3.502 1.00 0.00 C ATOM 354 C ASP A 24 -5.159 -15.496 4.877 1.00 0.00 C ATOM 355 O ASP A 24 -5.275 -14.656 5.748 1.00 0.00 O ATOM 356 CB ASP A 24 -3.479 -16.111 3.079 1.00 0.00 C ATOM 357 CG ASP A 24 -2.649 -16.532 4.296 1.00 0.00 C ATOM 358 OD1 ASP A 24 -2.042 -15.665 4.903 1.00 0.00 O ATOM 359 OD2 ASP A 24 -2.636 -17.714 4.597 1.00 0.00 O ATOM 0 H ASP A 24 -2.906 -13.821 3.528 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.428 -15.167 2.810 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.918 -16.990 2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.835 -15.640 2.336 1.00 0.00 H new ATOM 364 N THR A 25 -5.523 -16.733 5.076 1.00 0.00 N ATOM 365 CA THR A 25 -6.095 -17.139 6.393 1.00 0.00 C ATOM 366 C THR A 25 -4.972 -17.443 7.390 1.00 0.00 C ATOM 367 O THR A 25 -5.026 -18.410 8.124 1.00 0.00 O ATOM 368 CB THR A 25 -6.908 -18.400 6.100 1.00 0.00 C ATOM 369 OG1 THR A 25 -6.027 -19.460 5.753 1.00 0.00 O ATOM 370 CG2 THR A 25 -7.869 -18.133 4.938 1.00 0.00 C ATOM 0 H THR A 25 -5.450 -17.480 4.385 1.00 0.00 H new ATOM 0 HA THR A 25 -6.707 -16.353 6.836 1.00 0.00 H new ATOM 0 HB THR A 25 -7.480 -18.677 6.986 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.547 -20.270 5.567 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.448 -19.033 4.730 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.545 -17.320 5.204 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.299 -17.855 4.051 1.00 0.00 H new ATOM 378 N SER A 26 -3.957 -16.623 7.424 1.00 0.00 N ATOM 379 CA SER A 26 -2.836 -16.863 8.375 1.00 0.00 C ATOM 380 C SER A 26 -2.112 -15.551 8.685 1.00 0.00 C ATOM 381 O SER A 26 -1.669 -15.321 9.793 1.00 0.00 O ATOM 382 CB SER A 26 -1.904 -17.832 7.652 1.00 0.00 C ATOM 383 OG SER A 26 -1.921 -19.086 8.320 1.00 0.00 O ATOM 0 H SER A 26 -3.856 -15.797 6.834 1.00 0.00 H new ATOM 0 HA SER A 26 -3.183 -17.265 9.327 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.220 -17.954 6.616 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.890 -17.432 7.631 1.00 0.00 H new ATOM 0 HG SER A 26 -1.325 -19.711 7.857 1.00 0.00 H new ATOM 389 N GLY A 27 -1.988 -14.687 7.715 1.00 0.00 N ATOM 390 CA GLY A 27 -1.293 -13.392 7.957 1.00 0.00 C ATOM 391 C GLY A 27 -1.127 -12.647 6.633 1.00 0.00 C ATOM 392 O GLY A 27 -1.283 -13.210 5.568 1.00 0.00 O ATOM 0 H GLY A 27 -2.338 -14.822 6.766 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.866 -12.785 8.658 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.318 -13.570 8.411 1.00 0.00 H new ATOM 396 N THR A 28 -0.812 -11.382 6.689 1.00 0.00 N ATOM 397 CA THR A 28 -0.637 -10.602 5.431 1.00 0.00 C ATOM 398 C THR A 28 0.803 -10.738 4.921 1.00 0.00 C ATOM 399 O THR A 28 1.734 -10.263 5.541 1.00 0.00 O ATOM 400 CB THR A 28 -0.932 -9.153 5.821 1.00 0.00 C ATOM 401 OG1 THR A 28 -2.137 -9.102 6.572 1.00 0.00 O ATOM 402 CG2 THR A 28 -1.077 -8.303 4.558 1.00 0.00 C ATOM 0 H THR A 28 -0.668 -10.855 7.551 1.00 0.00 H new ATOM 0 HA THR A 28 -1.292 -10.951 4.633 1.00 0.00 H new ATOM 0 HB THR A 28 -0.112 -8.764 6.425 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.326 -8.174 6.824 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.287 -7.270 4.837 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.151 -8.343 3.984 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.896 -8.689 3.952 1.00 0.00 H new ATOM 410 N TYR A 29 0.999 -11.382 3.799 1.00 0.00 N ATOM 411 CA TYR A 29 2.385 -11.538 3.267 1.00 0.00 C ATOM 412 C TYR A 29 2.547 -10.755 1.962 1.00 0.00 C ATOM 413 O TYR A 29 1.828 -9.813 1.697 1.00 0.00 O ATOM 414 CB TYR A 29 2.549 -13.038 3.016 1.00 0.00 C ATOM 415 CG TYR A 29 1.616 -13.471 1.911 1.00 0.00 C ATOM 416 CD1 TYR A 29 0.312 -13.883 2.214 1.00 0.00 C ATOM 417 CD2 TYR A 29 2.053 -13.460 0.581 1.00 0.00 C ATOM 418 CE1 TYR A 29 -0.552 -14.284 1.188 1.00 0.00 C ATOM 419 CE2 TYR A 29 1.191 -13.861 -0.444 1.00 0.00 C ATOM 420 CZ TYR A 29 -0.112 -14.274 -0.141 1.00 0.00 C ATOM 421 OH TYR A 29 -0.964 -14.669 -1.153 1.00 0.00 O ATOM 0 H TYR A 29 0.264 -11.804 3.232 1.00 0.00 H new ATOM 0 HA TYR A 29 3.135 -11.156 3.959 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.580 -13.261 2.743 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.333 -13.595 3.927 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.027 -13.891 3.239 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.058 -13.141 0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.558 -14.601 1.422 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.530 -13.852 -1.469 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.502 -14.601 -2.015 1.00 0.00 H new ATOM 431 N TYR A 30 3.490 -11.139 1.142 1.00 0.00 N ATOM 432 CA TYR A 30 3.700 -10.417 -0.146 1.00 0.00 C ATOM 433 C TYR A 30 3.693 -11.403 -1.317 1.00 0.00 C ATOM 434 O TYR A 30 4.252 -12.479 -1.240 1.00 0.00 O ATOM 435 CB TYR A 30 5.074 -9.759 -0.014 1.00 0.00 C ATOM 436 CG TYR A 30 5.008 -8.647 1.005 1.00 0.00 C ATOM 437 CD1 TYR A 30 4.422 -7.422 0.665 1.00 0.00 C ATOM 438 CD2 TYR A 30 5.536 -8.838 2.288 1.00 0.00 C ATOM 439 CE1 TYR A 30 4.363 -6.388 1.608 1.00 0.00 C ATOM 440 CE2 TYR A 30 5.477 -7.805 3.230 1.00 0.00 C ATOM 441 CZ TYR A 30 4.891 -6.581 2.891 1.00 0.00 C ATOM 442 OH TYR A 30 4.833 -5.561 3.820 1.00 0.00 O ATOM 0 H TYR A 30 4.123 -11.921 1.309 1.00 0.00 H new ATOM 0 HA TYR A 30 2.913 -9.688 -0.339 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.815 -10.499 0.288 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.393 -9.364 -0.978 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.015 -7.274 -0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.989 -9.783 2.550 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.911 -5.443 1.346 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.884 -7.953 4.219 1.00 0.00 H new ATOM 0 HH TYR A 30 5.242 -5.859 4.659 1.00 0.00 H new ATOM 452 N TRP A 31 3.067 -11.043 -2.406 1.00 0.00 N ATOM 453 CA TRP A 31 3.027 -11.960 -3.582 1.00 0.00 C ATOM 454 C TRP A 31 3.856 -11.385 -4.732 1.00 0.00 C ATOM 455 O TRP A 31 3.523 -10.364 -5.302 1.00 0.00 O ATOM 456 CB TRP A 31 1.554 -12.040 -3.975 1.00 0.00 C ATOM 457 CG TRP A 31 1.434 -12.681 -5.320 1.00 0.00 C ATOM 458 CD1 TRP A 31 2.369 -13.476 -5.887 1.00 0.00 C ATOM 459 CD2 TRP A 31 0.335 -12.595 -6.275 1.00 0.00 C ATOM 460 NE1 TRP A 31 1.916 -13.885 -7.129 1.00 0.00 N ATOM 461 CE2 TRP A 31 0.667 -13.368 -7.414 1.00 0.00 C ATOM 462 CE3 TRP A 31 -0.903 -11.930 -6.264 1.00 0.00 C ATOM 463 CZ2 TRP A 31 -0.199 -13.476 -8.502 1.00 0.00 C ATOM 464 CZ3 TRP A 31 -1.778 -12.036 -7.358 1.00 0.00 C ATOM 465 CH2 TRP A 31 -1.426 -12.807 -8.474 1.00 0.00 C ATOM 0 H TRP A 31 2.582 -10.154 -2.532 1.00 0.00 H new ATOM 0 HA TRP A 31 3.441 -12.941 -3.351 1.00 0.00 H new ATOM 0 HB2 TRP A 31 0.999 -12.616 -3.234 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.117 -11.042 -3.995 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.315 -13.748 -5.443 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.440 -14.494 -7.757 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -1.184 -11.333 -5.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 0.076 -14.072 -9.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.727 -11.521 -7.339 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.103 -12.884 -9.312 1.00 0.00 H new ATOM 476 N HIS A 32 4.933 -12.033 -5.078 1.00 0.00 N ATOM 477 CA HIS A 32 5.784 -11.527 -6.191 1.00 0.00 C ATOM 478 C HIS A 32 5.141 -11.863 -7.542 1.00 0.00 C ATOM 479 O HIS A 32 5.109 -12.999 -7.964 1.00 0.00 O ATOM 480 CB HIS A 32 7.122 -12.252 -6.029 1.00 0.00 C ATOM 481 CG HIS A 32 8.250 -11.306 -6.338 1.00 0.00 C ATOM 482 ND1 HIS A 32 9.578 -11.641 -6.120 1.00 0.00 N ATOM 483 CD2 HIS A 32 8.267 -10.031 -6.848 1.00 0.00 C ATOM 484 CE1 HIS A 32 10.329 -10.590 -6.494 1.00 0.00 C ATOM 485 NE2 HIS A 32 9.579 -9.581 -6.946 1.00 0.00 N ATOM 0 H HIS A 32 5.261 -12.892 -4.638 1.00 0.00 H new ATOM 0 HA HIS A 32 5.906 -10.444 -6.162 1.00 0.00 H new ATOM 0 HB2 HIS A 32 7.221 -12.631 -5.012 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.163 -13.113 -6.696 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.393 -9.463 -7.130 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.407 -10.565 -6.436 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.900 -8.676 -7.289 1.00 0.00 H new ATOM 493 N ILE A 33 4.617 -10.876 -8.211 1.00 0.00 N ATOM 494 CA ILE A 33 3.964 -11.109 -9.530 1.00 0.00 C ATOM 495 C ILE A 33 4.982 -11.504 -10.619 1.00 0.00 C ATOM 496 O ILE A 33 4.693 -12.348 -11.444 1.00 0.00 O ATOM 497 CB ILE A 33 3.319 -9.767 -9.882 1.00 0.00 C ATOM 498 CG1 ILE A 33 2.367 -9.339 -8.755 1.00 0.00 C ATOM 499 CG2 ILE A 33 2.539 -9.909 -11.192 1.00 0.00 C ATOM 500 CD1 ILE A 33 1.415 -8.255 -9.267 1.00 0.00 C ATOM 0 H ILE A 33 4.613 -9.906 -7.897 1.00 0.00 H new ATOM 0 HA ILE A 33 3.249 -11.930 -9.476 1.00 0.00 H new ATOM 0 HB ILE A 33 4.094 -9.010 -10.001 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.798 -10.198 -8.401 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.938 -8.963 -7.906 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.078 -8.955 -11.446 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.219 -10.207 -11.990 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.764 -10.666 -11.074 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.741 -7.954 -8.465 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.992 -7.392 -9.600 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.833 -8.646 -10.102 1.00 0.00 H new ATOM 512 N PRO A 34 6.129 -10.863 -10.615 1.00 0.00 N ATOM 513 CA PRO A 34 7.156 -11.148 -11.652 1.00 0.00 C ATOM 514 C PRO A 34 7.872 -12.484 -11.407 1.00 0.00 C ATOM 515 O PRO A 34 8.014 -13.287 -12.307 1.00 0.00 O ATOM 516 CB PRO A 34 8.129 -9.981 -11.523 1.00 0.00 C ATOM 517 CG PRO A 34 7.974 -9.487 -10.120 1.00 0.00 C ATOM 518 CD PRO A 34 6.577 -9.832 -9.667 1.00 0.00 C ATOM 0 HA PRO A 34 6.719 -11.240 -12.646 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.153 -10.300 -11.716 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.899 -9.196 -12.243 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.714 -9.950 -9.467 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.137 -8.410 -10.073 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.572 -10.205 -8.643 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.924 -8.959 -9.691 1.00 0.00 H new ATOM 526 N THR A 35 8.337 -12.727 -10.214 1.00 0.00 N ATOM 527 CA THR A 35 9.055 -14.010 -9.950 1.00 0.00 C ATOM 528 C THR A 35 8.060 -15.116 -9.590 1.00 0.00 C ATOM 529 O THR A 35 8.303 -16.284 -9.822 1.00 0.00 O ATOM 530 CB THR A 35 9.975 -13.714 -8.765 1.00 0.00 C ATOM 531 OG1 THR A 35 9.189 -13.520 -7.598 1.00 0.00 O ATOM 532 CG2 THR A 35 10.793 -12.453 -9.052 1.00 0.00 C ATOM 0 H THR A 35 8.253 -12.100 -9.414 1.00 0.00 H new ATOM 0 HA THR A 35 9.609 -14.355 -10.823 1.00 0.00 H new ATOM 0 HB THR A 35 10.654 -14.553 -8.611 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.653 -12.908 -6.989 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.448 -12.244 -8.206 1.00 0.00 H new ATOM 0 HG22 THR A 35 11.395 -12.606 -9.948 1.00 0.00 H new ATOM 0 HG23 THR A 35 10.120 -11.610 -9.207 1.00 0.00 H new ATOM 540 N GLY A 36 6.942 -14.756 -9.028 1.00 0.00 N ATOM 541 CA GLY A 36 5.929 -15.783 -8.654 1.00 0.00 C ATOM 542 C GLY A 36 6.179 -16.252 -7.221 1.00 0.00 C ATOM 543 O GLY A 36 5.313 -16.818 -6.583 1.00 0.00 O ATOM 0 H GLY A 36 6.684 -13.793 -8.810 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.925 -15.367 -8.741 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.984 -16.629 -9.339 1.00 0.00 H new ATOM 547 N THR A 37 7.356 -16.023 -6.707 1.00 0.00 N ATOM 548 CA THR A 37 7.659 -16.456 -5.312 1.00 0.00 C ATOM 549 C THR A 37 6.892 -15.593 -4.312 1.00 0.00 C ATOM 550 O THR A 37 6.311 -14.587 -4.661 1.00 0.00 O ATOM 551 CB THR A 37 9.161 -16.246 -5.144 1.00 0.00 C ATOM 552 OG1 THR A 37 9.863 -17.050 -6.082 1.00 0.00 O ATOM 553 CG2 THR A 37 9.577 -16.632 -3.724 1.00 0.00 C ATOM 0 H THR A 37 8.122 -15.555 -7.192 1.00 0.00 H new ATOM 0 HA THR A 37 7.368 -17.491 -5.134 1.00 0.00 H new ATOM 0 HB THR A 37 9.401 -15.197 -5.318 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.827 -16.912 -5.974 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.650 -16.481 -3.606 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.042 -16.010 -3.006 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.336 -17.680 -3.546 1.00 0.00 H new ATOM 561 N THR A 38 6.893 -15.979 -3.068 1.00 0.00 N ATOM 562 CA THR A 38 6.172 -15.181 -2.033 1.00 0.00 C ATOM 563 C THR A 38 7.149 -14.734 -0.941 1.00 0.00 C ATOM 564 O THR A 38 8.323 -15.044 -0.983 1.00 0.00 O ATOM 565 CB THR A 38 5.119 -16.133 -1.463 1.00 0.00 C ATOM 566 OG1 THR A 38 5.483 -17.474 -1.760 1.00 0.00 O ATOM 567 CG2 THR A 38 3.756 -15.819 -2.085 1.00 0.00 C ATOM 0 H THR A 38 7.363 -16.815 -2.720 1.00 0.00 H new ATOM 0 HA THR A 38 5.720 -14.277 -2.442 1.00 0.00 H new ATOM 0 HB THR A 38 5.060 -16.006 -0.382 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.810 -18.085 -1.394 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.006 -16.497 -1.679 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.479 -14.791 -1.854 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.812 -15.945 -3.166 1.00 0.00 H new ATOM 575 N GLN A 39 6.675 -14.013 0.038 1.00 0.00 N ATOM 576 CA GLN A 39 7.580 -13.553 1.131 1.00 0.00 C ATOM 577 C GLN A 39 6.774 -13.231 2.393 1.00 0.00 C ATOM 578 O GLN A 39 5.643 -13.650 2.543 1.00 0.00 O ATOM 579 CB GLN A 39 8.247 -12.291 0.587 1.00 0.00 C ATOM 580 CG GLN A 39 9.341 -12.683 -0.403 1.00 0.00 C ATOM 581 CD GLN A 39 10.241 -11.475 -0.673 1.00 0.00 C ATOM 582 OE1 GLN A 39 9.823 -10.345 -0.510 1.00 0.00 O ATOM 583 NE2 GLN A 39 11.464 -11.666 -1.082 1.00 0.00 N ATOM 0 H GLN A 39 5.701 -13.722 0.129 1.00 0.00 H new ATOM 0 HA GLN A 39 8.309 -14.315 1.408 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.507 -11.658 0.097 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.673 -11.710 1.405 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.931 -13.507 -0.002 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.895 -13.033 -1.334 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.814 -12.614 -1.218 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.071 -10.867 -1.265 1.00 0.00 H new ATOM 592 N TRP A 40 7.350 -12.490 3.301 1.00 0.00 N ATOM 593 CA TRP A 40 6.621 -12.138 4.552 1.00 0.00 C ATOM 594 C TRP A 40 6.838 -10.661 4.890 1.00 0.00 C ATOM 595 O TRP A 40 5.950 -9.988 5.376 1.00 0.00 O ATOM 596 CB TRP A 40 7.240 -13.029 5.631 1.00 0.00 C ATOM 597 CG TRP A 40 6.573 -14.365 5.622 1.00 0.00 C ATOM 598 CD1 TRP A 40 7.110 -15.499 5.118 1.00 0.00 C ATOM 599 CD2 TRP A 40 5.256 -14.727 6.130 1.00 0.00 C ATOM 600 NE1 TRP A 40 6.208 -16.535 5.285 1.00 0.00 N ATOM 601 CE2 TRP A 40 5.049 -16.108 5.904 1.00 0.00 C ATOM 602 CE3 TRP A 40 4.233 -13.997 6.759 1.00 0.00 C ATOM 603 CZ2 TRP A 40 3.868 -16.743 6.289 1.00 0.00 C ATOM 604 CZ3 TRP A 40 3.042 -14.633 7.147 1.00 0.00 C ATOM 605 CH2 TRP A 40 2.860 -16.003 6.913 1.00 0.00 C ATOM 0 H TRP A 40 8.295 -12.113 3.230 1.00 0.00 H new ATOM 0 HA TRP A 40 5.545 -12.290 4.462 1.00 0.00 H new ATOM 0 HB2 TRP A 40 8.309 -13.144 5.452 1.00 0.00 H new ATOM 0 HB3 TRP A 40 7.129 -12.562 6.610 1.00 0.00 H new ATOM 0 HD1 TRP A 40 8.084 -15.583 4.660 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.378 -17.496 4.988 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.363 -12.941 6.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.734 -17.799 6.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 2.262 -14.063 7.629 1.00 0.00 H new ATOM 0 HH2 TRP A 40 1.942 -16.486 7.214 1.00 0.00 H new ATOM 616 N GLU A 41 8.014 -10.150 4.637 1.00 0.00 N ATOM 617 CA GLU A 41 8.287 -8.716 4.944 1.00 0.00 C ATOM 618 C GLU A 41 8.258 -7.884 3.658 1.00 0.00 C ATOM 619 O GLU A 41 8.318 -8.420 2.569 1.00 0.00 O ATOM 620 CB GLU A 41 9.686 -8.701 5.560 1.00 0.00 C ATOM 621 CG GLU A 41 9.739 -9.684 6.730 1.00 0.00 C ATOM 622 CD GLU A 41 10.671 -9.138 7.813 1.00 0.00 C ATOM 623 OE1 GLU A 41 11.057 -7.985 7.709 1.00 0.00 O ATOM 624 OE2 GLU A 41 10.982 -9.880 8.730 1.00 0.00 O ATOM 0 H GLU A 41 8.796 -10.663 4.231 1.00 0.00 H new ATOM 0 HA GLU A 41 7.542 -8.289 5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.428 -8.972 4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.933 -7.696 5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.739 -9.835 7.138 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.093 -10.656 6.387 1.00 0.00 H new ATOM 631 N PRO A 42 8.168 -6.593 3.833 1.00 0.00 N ATOM 632 CA PRO A 42 8.131 -5.666 2.676 1.00 0.00 C ATOM 633 C PRO A 42 9.521 -5.540 2.047 1.00 0.00 C ATOM 634 O PRO A 42 10.450 -5.085 2.684 1.00 0.00 O ATOM 635 CB PRO A 42 7.694 -4.342 3.294 1.00 0.00 C ATOM 636 CG PRO A 42 8.106 -4.425 4.730 1.00 0.00 C ATOM 637 CD PRO A 42 8.092 -5.883 5.114 1.00 0.00 C ATOM 0 HA PRO A 42 7.466 -6.001 1.880 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.171 -3.498 2.796 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.617 -4.200 3.201 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.100 -4.000 4.870 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.423 -3.855 5.360 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.935 -6.133 5.759 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.185 -6.142 5.660 1.00 0.00 H new ATOM 645 N PRO A 43 9.617 -5.945 0.809 1.00 0.00 N ATOM 646 CA PRO A 43 10.908 -5.873 0.082 1.00 0.00 C ATOM 647 C PRO A 43 11.242 -4.419 -0.265 1.00 0.00 C ATOM 648 O PRO A 43 12.286 -4.125 -0.811 1.00 0.00 O ATOM 649 CB PRO A 43 10.655 -6.690 -1.180 1.00 0.00 C ATOM 650 CG PRO A 43 9.174 -6.636 -1.385 1.00 0.00 C ATOM 651 CD PRO A 43 8.545 -6.502 -0.023 1.00 0.00 C ATOM 0 HA PRO A 43 11.750 -6.249 0.663 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.187 -6.272 -2.034 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.000 -7.717 -1.061 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.903 -5.792 -2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.821 -7.538 -1.886 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.676 -5.844 -0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.205 -7.466 0.356 1.00 0.00 H new ATOM 659 N GLY A 44 10.361 -3.508 0.048 1.00 0.00 N ATOM 660 CA GLY A 44 10.626 -2.076 -0.262 1.00 0.00 C ATOM 661 C GLY A 44 11.333 -1.418 0.924 1.00 0.00 C ATOM 662 O GLY A 44 12.434 -0.918 0.804 1.00 0.00 O ATOM 0 H GLY A 44 9.469 -3.695 0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.243 -1.995 -1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.690 -1.559 -0.473 1.00 0.00 H new ATOM 666 N ARG A 45 10.708 -1.414 2.070 1.00 0.00 N ATOM 667 CA ARG A 45 11.345 -0.789 3.264 1.00 0.00 C ATOM 668 C ARG A 45 12.194 -1.821 4.012 1.00 0.00 C ATOM 669 O ARG A 45 11.693 -2.587 4.812 1.00 0.00 O ATOM 670 CB ARG A 45 10.180 -0.319 4.135 1.00 0.00 C ATOM 671 CG ARG A 45 10.216 1.206 4.256 1.00 0.00 C ATOM 672 CD ARG A 45 8.880 1.786 3.782 1.00 0.00 C ATOM 673 NE ARG A 45 8.429 2.669 4.894 1.00 0.00 N ATOM 674 CZ ARG A 45 7.166 2.716 5.216 1.00 0.00 C ATOM 675 NH1 ARG A 45 6.257 2.369 4.346 1.00 0.00 N ATOM 676 NH2 ARG A 45 6.811 3.111 6.409 1.00 0.00 N ATOM 0 H ARG A 45 9.785 -1.816 2.231 1.00 0.00 H new ATOM 0 HA ARG A 45 12.009 0.033 2.995 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.234 -0.637 3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.244 -0.774 5.123 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.404 1.495 5.290 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.033 1.610 3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.000 2.347 2.855 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.154 0.997 3.585 1.00 0.00 H new ATOM 0 HE ARG A 45 9.107 3.236 5.403 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.534 2.061 3.414 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.269 2.406 4.598 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.521 3.383 7.089 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.823 3.148 6.661 1.00 0.00 H new ATOM 690 N ALA A 46 13.473 -1.847 3.759 1.00 0.00 N ATOM 691 CA ALA A 46 14.351 -2.830 4.457 1.00 0.00 C ATOM 692 C ALA A 46 15.057 -2.162 5.638 1.00 0.00 C ATOM 693 O ALA A 46 16.268 -2.067 5.676 1.00 0.00 O ATOM 694 CB ALA A 46 15.367 -3.270 3.403 1.00 0.00 C ATOM 0 H ALA A 46 13.949 -1.231 3.100 1.00 0.00 H new ATOM 0 HA ALA A 46 13.790 -3.673 4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.052 -3.997 3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.844 -3.724 2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.930 -2.403 3.056 1.00 0.00 H new ATOM 700 N SER A 47 14.309 -1.697 6.603 1.00 0.00 N ATOM 701 CA SER A 47 14.937 -1.033 7.782 1.00 0.00 C ATOM 702 C SER A 47 16.077 -0.118 7.326 1.00 0.00 C ATOM 703 O SER A 47 17.237 -0.426 7.521 1.00 0.00 O ATOM 704 CB SER A 47 15.474 -2.174 8.646 1.00 0.00 C ATOM 705 OG SER A 47 15.614 -3.343 7.849 1.00 0.00 O ATOM 0 H SER A 47 13.291 -1.748 6.626 1.00 0.00 H new ATOM 0 HA SER A 47 14.230 -0.410 8.330 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.436 -1.897 9.077 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.796 -2.366 9.477 1.00 0.00 H new ATOM 0 HG SER A 47 16.293 -3.189 7.159 1.00 0.00 H new ATOM 711 N PRO A 48 15.702 0.979 6.729 1.00 0.00 N ATOM 712 CA PRO A 48 16.701 1.958 6.232 1.00 0.00 C ATOM 713 C PRO A 48 17.378 2.674 7.404 1.00 0.00 C ATOM 714 O PRO A 48 16.870 3.647 7.927 1.00 0.00 O ATOM 715 CB PRO A 48 15.866 2.931 5.403 1.00 0.00 C ATOM 716 CG PRO A 48 14.482 2.821 5.959 1.00 0.00 C ATOM 717 CD PRO A 48 14.326 1.411 6.463 1.00 0.00 C ATOM 0 HA PRO A 48 17.504 1.498 5.656 1.00 0.00 H new ATOM 0 HB2 PRO A 48 16.246 3.949 5.488 1.00 0.00 H new ATOM 0 HB3 PRO A 48 15.889 2.669 4.345 1.00 0.00 H new ATOM 0 HG2 PRO A 48 14.331 3.539 6.766 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.739 3.042 5.193 1.00 0.00 H new ATOM 0 HD2 PRO A 48 13.714 1.374 7.364 1.00 0.00 H new ATOM 0 HD3 PRO A 48 13.843 0.773 5.723 1.00 0.00 H new ATOM 725 N SER A 49 18.521 2.200 7.819 1.00 0.00 N ATOM 726 CA SER A 49 19.232 2.850 8.955 1.00 0.00 C ATOM 727 C SER A 49 20.661 3.215 8.545 1.00 0.00 C ATOM 728 O SER A 49 21.190 2.701 7.579 1.00 0.00 O ATOM 729 CB SER A 49 19.244 1.802 10.066 1.00 0.00 C ATOM 730 OG SER A 49 19.136 2.453 11.326 1.00 0.00 O ATOM 0 H SER A 49 18.993 1.389 7.419 1.00 0.00 H new ATOM 0 HA SER A 49 18.747 3.774 9.272 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.418 1.104 9.932 1.00 0.00 H new ATOM 0 HB3 SER A 49 20.164 1.219 10.022 1.00 0.00 H new ATOM 0 HG SER A 49 19.142 1.784 12.042 1.00 0.00 H new ATOM 736 N GLN A 50 21.290 4.098 9.271 1.00 0.00 N ATOM 737 CA GLN A 50 22.684 4.494 8.921 1.00 0.00 C ATOM 738 C GLN A 50 23.470 4.838 10.190 1.00 0.00 C ATOM 739 O GLN A 50 24.602 4.396 10.301 1.00 0.00 O ATOM 740 CB GLN A 50 22.535 5.728 8.031 1.00 0.00 C ATOM 741 CG GLN A 50 23.674 5.763 7.009 1.00 0.00 C ATOM 742 CD GLN A 50 24.620 6.920 7.337 1.00 0.00 C ATOM 743 OE1 GLN A 50 25.417 6.828 8.250 1.00 0.00 O ATOM 744 NE2 GLN A 50 24.566 8.013 6.627 1.00 0.00 N ATOM 745 OXT GLN A 50 22.926 5.538 11.029 1.00 0.00 O ATOM 0 H GLN A 50 20.899 4.562 10.091 1.00 0.00 H new ATOM 0 HA GLN A 50 23.227 3.693 8.418 1.00 0.00 H new ATOM 0 HB2 GLN A 50 21.573 5.705 7.518 1.00 0.00 H new ATOM 0 HB3 GLN A 50 22.551 6.632 8.640 1.00 0.00 H new ATOM 0 HG2 GLN A 50 24.219 4.819 7.023 1.00 0.00 H new ATOM 0 HG3 GLN A 50 23.271 5.883 6.003 1.00 0.00 H new ATOM 0 HE21 GLN A 50 23.897 8.091 5.861 1.00 0.00 H new ATOM 0 HE22 GLN A 50 25.192 8.790 6.838 1.00 0.00 H new TER 754 GLN A 50