USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 26 MET CE :methyl -149:sc= 0 (180deg=-0.248) USER MOD Set 1.2: A 54 THR OG1 : rot -130:sc= -0.022 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 66:sc= -4.24! USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot -39:sc= 0.926 USER MOD Single : A 23 GLN : amide:sc= -0.688 K(o=-0.69,f=-3.3!) USER MOD Single : A 35 THR OG1 : rot -179:sc= -2.77 USER MOD Single : A 48 GLN : amide:sc= -0.125 X(o=-0.12,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 143:sc= 1.2 USER MOD Single : A 74 THR OG1 : rot -45:sc= -3.38! USER MOD Single : A 79 THR OG1 : rot 29:sc= 0.354 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.212 F(o=-1.2,f=-0.21) USER MOD Single : A 94 THR OG1 : rot 180:sc= -1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 1.206 -0.395 -0.520 1.00 60.15 N ATOM 2 CA ASP A 11 2.146 -0.588 -1.619 1.00 33.12 C ATOM 3 C ASP A 11 1.975 -1.969 -2.244 1.00 32.22 C ATOM 4 O ASP A 11 2.162 -2.144 -3.448 1.00 72.21 O ATOM 5 CB ASP A 11 3.583 -0.412 -1.126 1.00 32.13 C ATOM 6 CG ASP A 11 4.267 0.787 -1.752 1.00 61.23 C ATOM 7 OD1 ASP A 11 3.794 1.921 -1.533 1.00 10.32 O ATOM 8 OD2 ASP A 11 5.275 0.591 -2.463 1.00 24.30 O ATOM 0 HA ASP A 11 1.937 0.164 -2.380 1.00 33.12 H new ATOM 0 HB2 ASP A 11 3.581 -0.300 -0.042 1.00 32.13 H new ATOM 0 HB3 ASP A 11 4.155 -1.312 -1.353 1.00 32.13 H new ATOM 13 N TYR A 12 1.620 -2.947 -1.418 1.00 12.24 N ATOM 14 CA TYR A 12 1.427 -4.313 -1.888 1.00 62.34 C ATOM 15 C TYR A 12 0.113 -4.446 -2.652 1.00 63.23 C ATOM 16 O TYR A 12 0.011 -5.222 -3.603 1.00 14.12 O ATOM 17 CB TYR A 12 1.446 -5.288 -0.710 1.00 71.41 C ATOM 18 CG TYR A 12 2.702 -5.203 0.127 1.00 65.25 C ATOM 19 CD1 TYR A 12 3.922 -5.649 -0.369 1.00 12.11 C ATOM 20 CD2 TYR A 12 2.671 -4.678 1.412 1.00 34.14 C ATOM 21 CE1 TYR A 12 5.072 -5.574 0.392 1.00 44.20 C ATOM 22 CE2 TYR A 12 3.816 -4.598 2.180 1.00 44.42 C ATOM 23 CZ TYR A 12 5.015 -5.047 1.665 1.00 13.04 C ATOM 24 OH TYR A 12 6.158 -4.970 2.427 1.00 1.12 O ATOM 0 H TYR A 12 1.460 -2.819 -0.419 1.00 12.24 H new ATOM 0 HA TYR A 12 2.246 -4.556 -2.565 1.00 62.34 H new ATOM 0 HB2 TYR A 12 0.582 -5.093 -0.074 1.00 71.41 H new ATOM 0 HB3 TYR A 12 1.340 -6.305 -1.089 1.00 71.41 H new ATOM 0 HD1 TYR A 12 3.971 -6.061 -1.366 1.00 12.11 H new ATOM 0 HD2 TYR A 12 1.734 -4.326 1.818 1.00 34.14 H new ATOM 0 HE1 TYR A 12 6.011 -5.926 -0.008 1.00 44.20 H new ATOM 0 HE2 TYR A 12 3.773 -4.187 3.178 1.00 44.42 H new ATOM 0 HH TYR A 12 5.945 -4.573 3.297 1.00 1.12 H new ATOM 34 N ASP A 13 -0.889 -3.683 -2.230 1.00 23.23 N ATOM 35 CA ASP A 13 -2.197 -3.713 -2.874 1.00 23.02 C ATOM 36 C ASP A 13 -2.106 -3.211 -4.312 1.00 30.34 C ATOM 37 O ASP A 13 -1.058 -3.314 -4.950 1.00 72.32 O ATOM 38 CB ASP A 13 -3.196 -2.864 -2.086 1.00 71.24 C ATOM 39 CG ASP A 13 -2.986 -1.378 -2.298 1.00 55.22 C ATOM 40 OD1 ASP A 13 -2.163 -0.785 -1.570 1.00 33.41 O ATOM 41 OD2 ASP A 13 -3.646 -0.807 -3.192 1.00 14.53 O ATOM 0 H ASP A 13 -0.821 -3.036 -1.445 1.00 23.23 H new ATOM 0 HA ASP A 13 -2.544 -4.746 -2.890 1.00 23.02 H new ATOM 0 HB2 ASP A 13 -4.210 -3.131 -2.384 1.00 71.24 H new ATOM 0 HB3 ASP A 13 -3.105 -3.093 -1.024 1.00 71.24 H new ATOM 46 N ILE A 14 -3.210 -2.670 -4.814 1.00 51.45 N ATOM 47 CA ILE A 14 -3.255 -2.152 -6.176 1.00 64.35 C ATOM 48 C ILE A 14 -2.591 -0.783 -6.266 1.00 45.52 C ATOM 49 O ILE A 14 -2.371 -0.104 -5.262 1.00 72.42 O ATOM 50 CB ILE A 14 -4.702 -2.043 -6.690 1.00 54.01 C ATOM 51 CG1 ILE A 14 -5.678 -1.952 -5.515 1.00 71.30 C ATOM 52 CG2 ILE A 14 -5.041 -3.232 -7.576 1.00 72.24 C ATOM 53 CD1 ILE A 14 -7.071 -1.522 -5.918 1.00 72.31 C ATOM 0 H ILE A 14 -4.085 -2.579 -4.299 1.00 51.45 H new ATOM 0 HA ILE A 14 -2.709 -2.860 -6.800 1.00 64.35 H new ATOM 0 HB ILE A 14 -4.793 -1.134 -7.285 1.00 54.01 H new ATOM 0 HG12 ILE A 14 -5.734 -2.924 -5.024 1.00 71.30 H new ATOM 0 HG13 ILE A 14 -5.287 -1.247 -4.782 1.00 71.30 H new ATOM 0 HG21 ILE A 14 -6.067 -3.140 -7.931 1.00 72.24 H new ATOM 0 HG22 ILE A 14 -4.362 -3.255 -8.429 1.00 72.24 H new ATOM 0 HG23 ILE A 14 -4.936 -4.154 -7.004 1.00 72.24 H new ATOM 0 HD11 ILE A 14 -7.708 -1.479 -5.035 1.00 72.31 H new ATOM 0 HD12 ILE A 14 -7.028 -0.537 -6.382 1.00 72.31 H new ATOM 0 HD13 ILE A 14 -7.482 -2.240 -6.628 1.00 72.31 H new ATOM 65 N PRO A 15 -2.263 -0.363 -7.498 1.00 34.15 N ATOM 66 CA PRO A 15 -1.622 0.931 -7.749 1.00 23.24 C ATOM 67 C PRO A 15 -2.562 2.104 -7.493 1.00 20.45 C ATOM 68 O PRO A 15 -2.141 3.261 -7.488 1.00 15.11 O ATOM 69 CB PRO A 15 -1.247 0.859 -9.231 1.00 55.32 C ATOM 70 CG PRO A 15 -2.212 -0.112 -9.819 1.00 54.41 C ATOM 71 CD PRO A 15 -2.495 -1.119 -8.740 1.00 34.45 C ATOM 0 HA PRO A 15 -0.772 1.100 -7.088 1.00 23.24 H new ATOM 0 HB2 PRO A 15 -1.328 1.836 -9.708 1.00 55.32 H new ATOM 0 HB3 PRO A 15 -0.218 0.524 -9.363 1.00 55.32 H new ATOM 0 HG2 PRO A 15 -3.127 0.390 -10.134 1.00 54.41 H new ATOM 0 HG3 PRO A 15 -1.792 -0.594 -10.702 1.00 54.41 H new ATOM 0 HD2 PRO A 15 -3.517 -1.493 -8.798 1.00 34.45 H new ATOM 0 HD3 PRO A 15 -1.835 -1.983 -8.814 1.00 34.45 H new ATOM 79 N THR A 16 -3.838 1.798 -7.279 1.00 71.41 N ATOM 80 CA THR A 16 -4.838 2.826 -7.023 1.00 12.32 C ATOM 81 C THR A 16 -6.005 2.269 -6.216 1.00 12.54 C ATOM 82 O THR A 16 -6.569 1.229 -6.555 1.00 62.53 O ATOM 83 CB THR A 16 -5.377 3.426 -8.336 1.00 25.24 C ATOM 84 OG1 THR A 16 -5.533 2.395 -9.317 1.00 63.12 O ATOM 85 CG2 THR A 16 -4.438 4.499 -8.865 1.00 42.33 C ATOM 0 H THR A 16 -4.203 0.845 -7.278 1.00 71.41 H new ATOM 0 HA THR A 16 -4.344 3.611 -6.449 1.00 12.32 H new ATOM 0 HB THR A 16 -6.346 3.882 -8.132 1.00 25.24 H new ATOM 0 HG1 THR A 16 -5.878 2.784 -10.148 1.00 63.12 H new ATOM 0 HG21 THR A 16 -4.839 4.908 -9.792 1.00 42.33 H new ATOM 0 HG22 THR A 16 -4.344 5.296 -8.127 1.00 42.33 H new ATOM 0 HG23 THR A 16 -3.457 4.063 -9.055 1.00 42.33 H new ATOM 93 N THR A 17 -6.365 2.969 -5.144 1.00 52.51 N ATOM 94 CA THR A 17 -7.465 2.545 -4.288 1.00 34.32 C ATOM 95 C THR A 17 -8.157 3.742 -3.647 1.00 54.41 C ATOM 96 O THR A 17 -8.058 4.865 -4.141 1.00 3.02 O ATOM 97 CB THR A 17 -6.979 1.593 -3.178 1.00 42.35 C ATOM 98 OG1 THR A 17 -5.661 1.121 -3.481 1.00 11.41 O ATOM 99 CG2 THR A 17 -7.924 0.411 -3.027 1.00 0.05 C ATOM 0 H THR A 17 -5.910 3.833 -4.849 1.00 52.51 H new ATOM 0 HA THR A 17 -8.175 2.017 -4.925 1.00 34.32 H new ATOM 0 HB THR A 17 -6.960 2.145 -2.238 1.00 42.35 H new ATOM 0 HG1 THR A 17 -5.030 1.870 -3.451 1.00 11.41 H new ATOM 0 HG21 THR A 17 -7.560 -0.247 -2.238 1.00 0.05 H new ATOM 0 HG22 THR A 17 -8.920 0.772 -2.769 1.00 0.05 H new ATOM 0 HG23 THR A 17 -7.970 -0.140 -3.966 1.00 0.05 H new ATOM 107 N GLU A 18 -8.858 3.495 -2.545 1.00 0.23 N ATOM 108 CA GLU A 18 -9.567 4.555 -1.837 1.00 45.20 C ATOM 109 C GLU A 18 -8.586 5.500 -1.148 1.00 64.25 C ATOM 110 O GLU A 18 -7.984 6.361 -1.789 1.00 20.05 O ATOM 111 CB GLU A 18 -10.525 3.957 -0.805 1.00 55.43 C ATOM 112 CG GLU A 18 -11.868 3.548 -1.388 1.00 1.15 C ATOM 113 CD GLU A 18 -12.599 4.706 -2.038 1.00 51.23 C ATOM 114 OE1 GLU A 18 -12.626 5.802 -1.441 1.00 51.40 O ATOM 115 OE2 GLU A 18 -13.144 4.516 -3.146 1.00 32.32 O ATOM 0 H GLU A 18 -8.950 2.571 -2.123 1.00 0.23 H new ATOM 0 HA GLU A 18 -10.141 5.124 -2.568 1.00 45.20 H new ATOM 0 HB2 GLU A 18 -10.056 3.086 -0.348 1.00 55.43 H new ATOM 0 HB3 GLU A 18 -10.690 4.684 -0.010 1.00 55.43 H new ATOM 0 HG2 GLU A 18 -11.715 2.760 -2.125 1.00 1.15 H new ATOM 0 HG3 GLU A 18 -12.490 3.128 -0.598 1.00 1.15 H new ATOM 122 N ASN A 19 -8.431 5.331 0.161 1.00 42.12 N ATOM 123 CA ASN A 19 -7.524 6.169 0.937 1.00 32.14 C ATOM 124 C ASN A 19 -6.133 5.546 1.006 1.00 1.51 C ATOM 125 O ASN A 19 -5.281 5.988 1.778 1.00 45.11 O ATOM 126 CB ASN A 19 -8.073 6.376 2.351 1.00 43.34 C ATOM 127 CG ASN A 19 -9.044 7.539 2.429 1.00 63.50 C ATOM 128 OD1 ASN A 19 -8.722 8.595 2.973 1.00 33.25 O ATOM 129 ND2 ASN A 19 -10.240 7.348 1.884 1.00 64.11 N ATOM 0 H ASN A 19 -8.921 4.622 0.706 1.00 42.12 H new ATOM 0 HA ASN A 19 -7.446 7.135 0.439 1.00 32.14 H new ATOM 0 HB2 ASN A 19 -8.573 5.465 2.681 1.00 43.34 H new ATOM 0 HB3 ASN A 19 -7.245 6.551 3.038 1.00 43.34 H new ATOM 0 HD21 ASN A 19 -10.935 8.094 1.906 1.00 64.11 H new ATOM 0 HD22 ASN A 19 -10.463 6.455 1.443 1.00 64.11 H new ATOM 136 N LEU A 20 -5.910 4.519 0.194 1.00 3.20 N ATOM 137 CA LEU A 20 -4.621 3.836 0.161 1.00 34.53 C ATOM 138 C LEU A 20 -3.525 4.764 -0.352 1.00 32.24 C ATOM 139 O LEU A 20 -2.361 4.636 0.029 1.00 13.41 O ATOM 140 CB LEU A 20 -4.705 2.590 -0.722 1.00 73.42 C ATOM 141 CG LEU A 20 -5.336 1.353 -0.081 1.00 12.21 C ATOM 142 CD1 LEU A 20 -6.789 1.622 0.280 1.00 70.41 C ATOM 143 CD2 LEU A 20 -5.229 0.155 -1.013 1.00 42.31 C ATOM 0 H LEU A 20 -6.604 4.141 -0.450 1.00 3.20 H new ATOM 0 HA LEU A 20 -4.370 3.537 1.179 1.00 34.53 H new ATOM 0 HB2 LEU A 20 -5.275 2.841 -1.617 1.00 73.42 H new ATOM 0 HB3 LEU A 20 -3.697 2.332 -1.048 1.00 73.42 H new ATOM 0 HG LEU A 20 -4.791 1.124 0.835 1.00 12.21 H new ATOM 0 HD11 LEU A 20 -7.222 0.731 0.735 1.00 70.41 H new ATOM 0 HD12 LEU A 20 -6.841 2.451 0.985 1.00 70.41 H new ATOM 0 HD13 LEU A 20 -7.347 1.877 -0.621 1.00 70.41 H new ATOM 0 HD21 LEU A 20 -5.683 -0.716 -0.540 1.00 42.31 H new ATOM 0 HD22 LEU A 20 -5.748 0.373 -1.947 1.00 42.31 H new ATOM 0 HD23 LEU A 20 -4.179 -0.052 -1.221 1.00 42.31 H new ATOM 155 N TYR A 21 -3.905 5.698 -1.216 1.00 13.54 N ATOM 156 CA TYR A 21 -2.955 6.649 -1.781 1.00 63.40 C ATOM 157 C TYR A 21 -2.673 7.785 -0.803 1.00 21.12 C ATOM 158 O TYR A 21 -1.962 8.736 -1.126 1.00 42.44 O ATOM 159 CB TYR A 21 -3.489 7.215 -3.097 1.00 74.15 C ATOM 160 CG TYR A 21 -4.570 8.256 -2.914 1.00 50.31 C ATOM 161 CD1 TYR A 21 -4.247 9.589 -2.689 1.00 23.22 C ATOM 162 CD2 TYR A 21 -5.914 7.908 -2.965 1.00 50.11 C ATOM 163 CE1 TYR A 21 -5.231 10.544 -2.520 1.00 24.11 C ATOM 164 CE2 TYR A 21 -6.904 8.857 -2.799 1.00 35.41 C ATOM 165 CZ TYR A 21 -6.558 10.173 -2.576 1.00 62.13 C ATOM 166 OH TYR A 21 -7.542 11.121 -2.409 1.00 25.52 O ATOM 0 H TYR A 21 -4.865 5.817 -1.541 1.00 13.54 H new ATOM 0 HA TYR A 21 -2.022 6.120 -1.973 1.00 63.40 H new ATOM 0 HB2 TYR A 21 -2.663 7.656 -3.655 1.00 74.15 H new ATOM 0 HB3 TYR A 21 -3.882 6.398 -3.701 1.00 74.15 H new ATOM 0 HD1 TYR A 21 -3.209 9.883 -2.646 1.00 23.22 H new ATOM 0 HD2 TYR A 21 -6.189 6.878 -3.137 1.00 50.11 H new ATOM 0 HE1 TYR A 21 -4.962 11.575 -2.345 1.00 24.11 H new ATOM 0 HE2 TYR A 21 -7.944 8.570 -2.844 1.00 35.41 H new ATOM 0 HH TYR A 21 -7.271 11.755 -1.712 1.00 25.52 H new ATOM 176 N PHE A 22 -3.236 7.678 0.396 1.00 23.33 N ATOM 177 CA PHE A 22 -3.046 8.695 1.423 1.00 14.44 C ATOM 178 C PHE A 22 -2.081 8.208 2.500 1.00 14.34 C ATOM 179 O PHE A 22 -1.092 8.873 2.808 1.00 72.24 O ATOM 180 CB PHE A 22 -4.389 9.068 2.056 1.00 21.31 C ATOM 181 CG PHE A 22 -4.981 10.334 1.505 1.00 24.44 C ATOM 182 CD1 PHE A 22 -4.308 11.539 1.627 1.00 64.44 C ATOM 183 CD2 PHE A 22 -6.210 10.319 0.867 1.00 72.41 C ATOM 184 CE1 PHE A 22 -4.849 12.705 1.121 1.00 51.34 C ATOM 185 CE2 PHE A 22 -6.756 11.482 0.359 1.00 75.14 C ATOM 186 CZ PHE A 22 -6.076 12.677 0.487 1.00 62.13 C ATOM 0 H PHE A 22 -3.828 6.897 0.680 1.00 23.33 H new ATOM 0 HA PHE A 22 -2.617 9.578 0.949 1.00 14.44 H new ATOM 0 HB2 PHE A 22 -5.093 8.250 1.903 1.00 21.31 H new ATOM 0 HB3 PHE A 22 -4.256 9.177 3.132 1.00 21.31 H new ATOM 0 HD1 PHE A 22 -3.349 11.567 2.123 1.00 64.44 H new ATOM 0 HD2 PHE A 22 -6.748 9.388 0.765 1.00 72.41 H new ATOM 0 HE1 PHE A 22 -4.313 13.637 1.221 1.00 51.34 H new ATOM 0 HE2 PHE A 22 -7.714 11.457 -0.138 1.00 75.14 H new ATOM 0 HZ PHE A 22 -6.502 13.587 0.092 1.00 62.13 H new ATOM 196 N GLN A 23 -2.378 7.044 3.070 1.00 50.53 N ATOM 197 CA GLN A 23 -1.538 6.469 4.113 1.00 22.02 C ATOM 198 C GLN A 23 -0.177 6.066 3.556 1.00 45.33 C ATOM 199 O GLN A 23 0.860 6.364 4.147 1.00 3.10 O ATOM 200 CB GLN A 23 -2.225 5.254 4.739 1.00 55.21 C ATOM 201 CG GLN A 23 -3.574 5.573 5.364 1.00 2.51 C ATOM 202 CD GLN A 23 -3.565 6.878 6.137 1.00 23.51 C ATOM 203 OE1 GLN A 23 -2.767 7.062 7.057 1.00 34.53 O ATOM 204 NE2 GLN A 23 -4.453 7.792 5.767 1.00 74.15 N ATOM 0 H GLN A 23 -3.193 6.482 2.827 1.00 50.53 H new ATOM 0 HA GLN A 23 -1.386 7.228 4.881 1.00 22.02 H new ATOM 0 HB2 GLN A 23 -2.360 4.489 3.974 1.00 55.21 H new ATOM 0 HB3 GLN A 23 -1.572 4.830 5.502 1.00 55.21 H new ATOM 0 HG2 GLN A 23 -4.330 5.624 4.581 1.00 2.51 H new ATOM 0 HG3 GLN A 23 -3.862 4.761 6.032 1.00 2.51 H new ATOM 0 HE21 GLN A 23 -5.095 7.597 4.999 1.00 74.15 H new ATOM 0 HE22 GLN A 23 -4.493 8.689 6.250 1.00 74.15 H new ATOM 213 N GLY A 24 -0.188 5.387 2.413 1.00 62.41 N ATOM 214 CA GLY A 24 1.052 4.954 1.795 1.00 31.31 C ATOM 215 C GLY A 24 2.089 6.058 1.740 1.00 31.12 C ATOM 216 O GLY A 24 3.289 5.790 1.696 1.00 60.24 O ATOM 0 H GLY A 24 -1.033 5.129 1.904 1.00 62.41 H new ATOM 0 HA2 GLY A 24 1.456 4.108 2.351 1.00 31.31 H new ATOM 0 HA3 GLY A 24 0.847 4.602 0.784 1.00 31.31 H new ATOM 220 N ALA A 25 1.625 7.303 1.742 1.00 43.51 N ATOM 221 CA ALA A 25 2.521 8.452 1.692 1.00 3.13 C ATOM 222 C ALA A 25 3.604 8.350 2.761 1.00 44.02 C ATOM 223 O ALA A 25 4.734 7.954 2.477 1.00 62.44 O ATOM 224 CB ALA A 25 1.734 9.743 1.858 1.00 13.30 C ATOM 0 H ALA A 25 0.634 7.542 1.778 1.00 43.51 H new ATOM 0 HA ALA A 25 3.008 8.459 0.717 1.00 3.13 H new ATOM 0 HB1 ALA A 25 2.416 10.592 1.819 1.00 13.30 H new ATOM 0 HB2 ALA A 25 1.001 9.828 1.055 1.00 13.30 H new ATOM 0 HB3 ALA A 25 1.220 9.735 2.819 1.00 13.30 H new ATOM 230 N MET A 26 3.252 8.711 3.990 1.00 30.14 N ATOM 231 CA MET A 26 4.195 8.659 5.102 1.00 41.05 C ATOM 232 C MET A 26 4.574 7.218 5.426 1.00 34.54 C ATOM 233 O MET A 26 5.367 6.963 6.332 1.00 12.53 O ATOM 234 CB MET A 26 3.597 9.333 6.338 1.00 31.40 C ATOM 235 CG MET A 26 2.590 8.465 7.076 1.00 62.23 C ATOM 236 SD MET A 26 1.269 9.427 7.836 1.00 10.54 S ATOM 237 CE MET A 26 2.218 10.621 8.776 1.00 13.30 C ATOM 0 H MET A 26 2.321 9.043 4.242 1.00 30.14 H new ATOM 0 HA MET A 26 5.097 9.195 4.807 1.00 41.05 H new ATOM 0 HB2 MET A 26 4.403 9.601 7.021 1.00 31.40 H new ATOM 0 HB3 MET A 26 3.112 10.262 6.037 1.00 31.40 H new ATOM 0 HG2 MET A 26 2.157 7.746 6.380 1.00 62.23 H new ATOM 0 HG3 MET A 26 3.106 7.892 7.846 1.00 62.23 H new ATOM 0 HE1 MET A 26 1.664 10.902 9.672 1.00 13.30 H new ATOM 0 HE2 MET A 26 3.174 10.182 9.063 1.00 13.30 H new ATOM 0 HE3 MET A 26 2.394 11.507 8.166 1.00 13.30 H new ATOM 247 N ALA A 27 4.001 6.278 4.682 1.00 71.35 N ATOM 248 CA ALA A 27 4.280 4.862 4.890 1.00 51.32 C ATOM 249 C ALA A 27 5.632 4.477 4.299 1.00 73.52 C ATOM 250 O ALA A 27 6.323 3.602 4.822 1.00 12.45 O ATOM 251 CB ALA A 27 3.174 4.011 4.283 1.00 42.52 C ATOM 0 H ALA A 27 3.340 6.471 3.929 1.00 71.35 H new ATOM 0 HA ALA A 27 4.316 4.678 5.964 1.00 51.32 H new ATOM 0 HB1 ALA A 27 3.396 2.956 4.446 1.00 42.52 H new ATOM 0 HB2 ALA A 27 2.223 4.259 4.755 1.00 42.52 H new ATOM 0 HB3 ALA A 27 3.110 4.207 3.213 1.00 42.52 H new ATOM 257 N PHE A 28 6.003 5.133 3.205 1.00 41.12 N ATOM 258 CA PHE A 28 7.272 4.857 2.541 1.00 1.44 C ATOM 259 C PHE A 28 8.414 5.612 3.216 1.00 53.31 C ATOM 260 O PHE A 28 9.530 5.662 2.699 1.00 1.21 O ATOM 261 CB PHE A 28 7.193 5.244 1.063 1.00 65.41 C ATOM 262 CG PHE A 28 6.766 6.666 0.837 1.00 64.32 C ATOM 263 CD1 PHE A 28 7.389 7.705 1.509 1.00 10.20 C ATOM 264 CD2 PHE A 28 5.743 6.963 -0.048 1.00 53.23 C ATOM 265 CE1 PHE A 28 6.997 9.015 1.303 1.00 22.53 C ATOM 266 CE2 PHE A 28 5.347 8.271 -0.258 1.00 71.24 C ATOM 267 CZ PHE A 28 5.976 9.298 0.418 1.00 71.24 C ATOM 0 H PHE A 28 5.443 5.860 2.759 1.00 41.12 H new ATOM 0 HA PHE A 28 7.470 3.788 2.619 1.00 1.44 H new ATOM 0 HB2 PHE A 28 8.169 5.089 0.602 1.00 65.41 H new ATOM 0 HB3 PHE A 28 6.493 4.578 0.558 1.00 65.41 H new ATOM 0 HD1 PHE A 28 8.189 7.490 2.201 1.00 10.20 H new ATOM 0 HD2 PHE A 28 5.249 6.164 -0.580 1.00 53.23 H new ATOM 0 HE1 PHE A 28 7.489 9.816 1.834 1.00 22.53 H new ATOM 0 HE2 PHE A 28 4.547 8.489 -0.950 1.00 71.24 H new ATOM 0 HZ PHE A 28 5.670 10.321 0.255 1.00 71.24 H new ATOM 277 N ASP A 29 8.125 6.199 4.372 1.00 21.34 N ATOM 278 CA ASP A 29 9.127 6.951 5.119 1.00 13.21 C ATOM 279 C ASP A 29 10.200 6.022 5.678 1.00 73.23 C ATOM 280 O ASP A 29 11.331 6.002 5.194 1.00 32.43 O ATOM 281 CB ASP A 29 8.466 7.730 6.257 1.00 2.44 C ATOM 282 CG ASP A 29 7.827 9.020 5.782 1.00 52.04 C ATOM 283 OD1 ASP A 29 7.916 9.316 4.571 1.00 23.24 O ATOM 284 OD2 ASP A 29 7.236 9.733 6.619 1.00 3.22 O ATOM 0 H ASP A 29 7.205 6.169 4.812 1.00 21.34 H new ATOM 0 HA ASP A 29 9.602 7.654 4.435 1.00 13.21 H new ATOM 0 HB2 ASP A 29 7.708 7.105 6.729 1.00 2.44 H new ATOM 0 HB3 ASP A 29 9.212 7.957 7.019 1.00 2.44 H new ATOM 289 N GLY A 30 9.836 5.254 6.701 1.00 63.35 N ATOM 290 CA GLY A 30 10.779 4.334 7.309 1.00 24.30 C ATOM 291 C GLY A 30 10.096 3.144 7.953 1.00 75.01 C ATOM 292 O GLY A 30 10.722 2.387 8.694 1.00 55.00 O ATOM 0 H GLY A 30 8.906 5.253 7.119 1.00 63.35 H new ATOM 0 HA2 GLY A 30 11.478 3.981 6.551 1.00 24.30 H new ATOM 0 HA3 GLY A 30 11.365 4.863 8.061 1.00 24.30 H new ATOM 296 N GLU A 31 8.807 2.980 7.671 1.00 72.12 N ATOM 297 CA GLU A 31 8.038 1.875 8.231 1.00 74.24 C ATOM 298 C GLU A 31 8.520 0.539 7.673 1.00 25.35 C ATOM 299 O GLU A 31 9.331 0.496 6.748 1.00 41.41 O ATOM 300 CB GLU A 31 6.548 2.057 7.930 1.00 24.11 C ATOM 301 CG GLU A 31 6.058 1.224 6.758 1.00 73.11 C ATOM 302 CD GLU A 31 4.759 1.746 6.175 1.00 71.44 C ATOM 303 OE1 GLU A 31 3.959 2.330 6.935 1.00 42.45 O ATOM 304 OE2 GLU A 31 4.543 1.569 4.957 1.00 33.23 O ATOM 0 H GLU A 31 8.274 3.598 7.059 1.00 72.12 H new ATOM 0 HA GLU A 31 8.186 1.874 9.311 1.00 74.24 H new ATOM 0 HB2 GLU A 31 5.972 1.795 8.817 1.00 24.11 H new ATOM 0 HB3 GLU A 31 6.354 3.109 7.723 1.00 24.11 H new ATOM 0 HG2 GLU A 31 6.822 1.212 5.981 1.00 73.11 H new ATOM 0 HG3 GLU A 31 5.918 0.193 7.083 1.00 73.11 H new ATOM 311 N ASP A 32 8.017 -0.550 8.244 1.00 20.04 N ATOM 312 CA ASP A 32 8.396 -1.888 7.806 1.00 73.24 C ATOM 313 C ASP A 32 7.160 -2.732 7.507 1.00 64.00 C ATOM 314 O ASP A 32 6.101 -2.202 7.174 1.00 1.21 O ATOM 315 CB ASP A 32 9.252 -2.574 8.871 1.00 31.31 C ATOM 316 CG ASP A 32 10.366 -3.408 8.270 1.00 44.21 C ATOM 317 OD1 ASP A 32 10.103 -4.127 7.284 1.00 70.20 O ATOM 318 OD2 ASP A 32 11.502 -3.341 8.786 1.00 60.51 O ATOM 0 H ASP A 32 7.345 -0.532 9.012 1.00 20.04 H new ATOM 0 HA ASP A 32 8.979 -1.792 6.890 1.00 73.24 H new ATOM 0 HB2 ASP A 32 9.682 -1.819 9.529 1.00 31.31 H new ATOM 0 HB3 ASP A 32 8.618 -3.211 9.488 1.00 31.31 H new ATOM 323 N GLU A 33 7.305 -4.048 7.628 1.00 45.04 N ATOM 324 CA GLU A 33 6.201 -4.964 7.368 1.00 23.55 C ATOM 325 C GLU A 33 5.709 -5.603 8.664 1.00 62.51 C ATOM 326 O GLU A 33 6.396 -5.572 9.685 1.00 1.10 O ATOM 327 CB GLU A 33 6.633 -6.052 6.382 1.00 13.03 C ATOM 328 CG GLU A 33 5.474 -6.690 5.635 1.00 40.15 C ATOM 329 CD GLU A 33 5.925 -7.464 4.411 1.00 12.00 C ATOM 330 OE1 GLU A 33 7.142 -7.711 4.280 1.00 74.33 O ATOM 331 OE2 GLU A 33 5.060 -7.823 3.585 1.00 54.32 O ATOM 0 H GLU A 33 8.175 -4.503 7.904 1.00 45.04 H new ATOM 0 HA GLU A 33 5.383 -4.392 6.931 1.00 23.55 H new ATOM 0 HB2 GLU A 33 7.327 -5.622 5.660 1.00 13.03 H new ATOM 0 HB3 GLU A 33 7.176 -6.827 6.923 1.00 13.03 H new ATOM 0 HG2 GLU A 33 4.938 -7.360 6.307 1.00 40.15 H new ATOM 0 HG3 GLU A 33 4.771 -5.914 5.331 1.00 40.15 H new ATOM 338 N VAL A 34 4.514 -6.183 8.614 1.00 12.22 N ATOM 339 CA VAL A 34 3.929 -6.830 9.782 1.00 13.14 C ATOM 340 C VAL A 34 4.285 -8.312 9.826 1.00 2.52 C ATOM 341 O VAL A 34 4.695 -8.894 8.821 1.00 14.40 O ATOM 342 CB VAL A 34 2.396 -6.681 9.797 1.00 33.43 C ATOM 343 CG1 VAL A 34 1.739 -7.966 10.279 1.00 22.20 C ATOM 344 CG2 VAL A 34 1.983 -5.504 10.667 1.00 4.44 C ATOM 0 H VAL A 34 3.932 -6.218 7.777 1.00 12.22 H new ATOM 0 HA VAL A 34 4.344 -6.334 10.659 1.00 13.14 H new ATOM 0 HB VAL A 34 2.058 -6.487 8.779 1.00 33.43 H new ATOM 0 HG11 VAL A 34 0.656 -7.842 10.283 1.00 22.20 H new ATOM 0 HG12 VAL A 34 2.008 -8.785 9.611 1.00 22.20 H new ATOM 0 HG13 VAL A 34 2.082 -8.193 11.288 1.00 22.20 H new ATOM 0 HG21 VAL A 34 0.897 -5.414 10.666 1.00 4.44 H new ATOM 0 HG22 VAL A 34 2.333 -5.665 11.687 1.00 4.44 H new ATOM 0 HG23 VAL A 34 2.423 -4.588 10.273 1.00 4.44 H new ATOM 354 N THR A 35 4.127 -8.918 10.998 1.00 34.54 N ATOM 355 CA THR A 35 4.432 -10.333 11.174 1.00 2.43 C ATOM 356 C THR A 35 3.158 -11.166 11.242 1.00 33.22 C ATOM 357 O THR A 35 3.132 -12.315 10.803 1.00 55.14 O ATOM 358 CB THR A 35 5.259 -10.574 12.452 1.00 74.04 C ATOM 359 OG1 THR A 35 5.081 -9.484 13.363 1.00 31.34 O ATOM 360 CG2 THR A 35 6.735 -10.729 12.120 1.00 41.43 C ATOM 0 H THR A 35 3.790 -8.451 11.840 1.00 34.54 H new ATOM 0 HA THR A 35 5.017 -10.641 10.307 1.00 2.43 H new ATOM 0 HB THR A 35 4.909 -11.496 12.917 1.00 74.04 H new ATOM 0 HG1 THR A 35 5.621 -9.638 14.166 1.00 31.34 H new ATOM 0 HG21 THR A 35 7.299 -10.898 13.038 1.00 41.43 H new ATOM 0 HG22 THR A 35 6.870 -11.578 11.450 1.00 41.43 H new ATOM 0 HG23 THR A 35 7.096 -9.822 11.635 1.00 41.43 H new ATOM 368 N GLY A 36 2.101 -10.579 11.796 1.00 73.32 N ATOM 369 CA GLY A 36 0.837 -11.283 11.910 1.00 32.12 C ATOM 370 C GLY A 36 -0.342 -10.340 12.045 1.00 0.42 C ATOM 371 O GLY A 36 -0.418 -9.307 11.379 1.00 65.11 O ATOM 0 H GLY A 36 2.098 -9.629 12.168 1.00 73.32 H new ATOM 0 HA2 GLY A 36 0.695 -11.913 11.032 1.00 32.12 H new ATOM 0 HA3 GLY A 36 0.870 -11.945 12.776 1.00 32.12 H new ATOM 375 N PRO A 37 -1.291 -10.694 12.925 1.00 42.14 N ATOM 376 CA PRO A 37 -2.490 -9.885 13.164 1.00 5.04 C ATOM 377 C PRO A 37 -2.173 -8.578 13.884 1.00 62.23 C ATOM 378 O PRO A 37 -1.030 -8.120 13.883 1.00 12.34 O ATOM 379 CB PRO A 37 -3.354 -10.786 14.049 1.00 35.32 C ATOM 380 CG PRO A 37 -2.386 -11.689 14.732 1.00 62.12 C ATOM 381 CD PRO A 37 -1.266 -11.911 13.753 1.00 71.10 C ATOM 0 HA PRO A 37 -2.973 -9.587 12.234 1.00 5.04 H new ATOM 0 HB2 PRO A 37 -3.926 -10.202 14.770 1.00 35.32 H new ATOM 0 HB3 PRO A 37 -4.072 -11.352 13.456 1.00 35.32 H new ATOM 0 HG2 PRO A 37 -2.016 -11.239 15.653 1.00 62.12 H new ATOM 0 HG3 PRO A 37 -2.858 -12.633 15.005 1.00 62.12 H new ATOM 0 HD2 PRO A 37 -0.308 -12.033 14.259 1.00 71.10 H new ATOM 0 HD3 PRO A 37 -1.427 -12.808 13.155 1.00 71.10 H new ATOM 389 N ASP A 38 -3.191 -7.984 14.496 1.00 3.31 N ATOM 390 CA ASP A 38 -3.020 -6.730 15.221 1.00 51.11 C ATOM 391 C ASP A 38 -1.925 -6.856 16.275 1.00 23.21 C ATOM 392 O ASP A 38 -1.198 -5.901 16.547 1.00 70.02 O ATOM 393 CB ASP A 38 -4.336 -6.315 15.882 1.00 44.03 C ATOM 394 CG ASP A 38 -5.008 -7.465 16.606 1.00 43.12 C ATOM 395 OD1 ASP A 38 -4.468 -7.912 17.640 1.00 13.41 O ATOM 396 OD2 ASP A 38 -6.073 -7.918 16.139 1.00 55.32 O ATOM 0 H ASP A 38 -4.143 -8.350 14.505 1.00 3.31 H new ATOM 0 HA ASP A 38 -2.724 -5.963 14.505 1.00 51.11 H new ATOM 0 HB2 ASP A 38 -4.146 -5.507 16.588 1.00 44.03 H new ATOM 0 HB3 ASP A 38 -5.013 -5.922 15.123 1.00 44.03 H new ATOM 401 N ALA A 39 -1.813 -8.041 16.866 1.00 33.32 N ATOM 402 CA ALA A 39 -0.806 -8.293 17.890 1.00 54.23 C ATOM 403 C ALA A 39 0.591 -7.956 17.380 1.00 73.43 C ATOM 404 O ALA A 39 1.424 -7.436 18.121 1.00 11.45 O ATOM 405 CB ALA A 39 -0.869 -9.743 18.346 1.00 2.14 C ATOM 0 H ALA A 39 -2.407 -8.842 16.653 1.00 33.32 H new ATOM 0 HA ALA A 39 -1.019 -7.647 18.742 1.00 54.23 H new ATOM 0 HB1 ALA A 39 -0.112 -9.917 19.110 1.00 2.14 H new ATOM 0 HB2 ALA A 39 -1.856 -9.952 18.759 1.00 2.14 H new ATOM 0 HB3 ALA A 39 -0.684 -10.400 17.496 1.00 2.14 H new ATOM 411 N ASP A 40 0.840 -8.258 16.110 1.00 4.13 N ATOM 412 CA ASP A 40 2.137 -7.987 15.501 1.00 43.01 C ATOM 413 C ASP A 40 2.213 -6.548 15.001 1.00 11.42 C ATOM 414 O ASP A 40 3.229 -5.874 15.171 1.00 42.14 O ATOM 415 CB ASP A 40 2.394 -8.955 14.345 1.00 20.43 C ATOM 416 CG ASP A 40 2.924 -10.294 14.819 1.00 64.31 C ATOM 417 OD1 ASP A 40 3.931 -10.306 15.558 1.00 53.41 O ATOM 418 OD2 ASP A 40 2.334 -11.331 14.450 1.00 74.12 O ATOM 0 H ASP A 40 0.161 -8.690 15.483 1.00 4.13 H new ATOM 0 HA ASP A 40 2.904 -8.129 16.262 1.00 43.01 H new ATOM 0 HB2 ASP A 40 1.468 -9.109 13.791 1.00 20.43 H new ATOM 0 HB3 ASP A 40 3.108 -8.509 13.653 1.00 20.43 H new ATOM 423 N ARG A 41 1.131 -6.083 14.384 1.00 63.41 N ATOM 424 CA ARG A 41 1.076 -4.725 13.857 1.00 20.14 C ATOM 425 C ARG A 41 1.230 -3.701 14.978 1.00 43.11 C ATOM 426 O ARG A 41 1.868 -2.663 14.800 1.00 31.45 O ATOM 427 CB ARG A 41 -0.244 -4.495 13.120 1.00 51.35 C ATOM 428 CG ARG A 41 -1.313 -3.834 13.975 1.00 22.21 C ATOM 429 CD ARG A 41 -2.653 -3.793 13.259 1.00 75.44 C ATOM 430 NE ARG A 41 -3.775 -3.807 14.194 1.00 23.13 N ATOM 431 CZ ARG A 41 -5.048 -3.784 13.816 1.00 21.20 C ATOM 432 NH1 ARG A 41 -5.360 -3.747 12.528 1.00 64.22 N ATOM 433 NH2 ARG A 41 -6.012 -3.799 14.727 1.00 14.22 N ATOM 0 H ARG A 41 0.281 -6.627 14.237 1.00 63.41 H new ATOM 0 HA ARG A 41 1.902 -4.599 13.157 1.00 20.14 H new ATOM 0 HB2 ARG A 41 -0.057 -3.875 12.243 1.00 51.35 H new ATOM 0 HB3 ARG A 41 -0.620 -5.452 12.759 1.00 51.35 H new ATOM 0 HG2 ARG A 41 -1.417 -4.378 14.914 1.00 22.21 H new ATOM 0 HG3 ARG A 41 -1.003 -2.820 14.227 1.00 22.21 H new ATOM 0 HD2 ARG A 41 -2.707 -2.896 12.642 1.00 75.44 H new ATOM 0 HD3 ARG A 41 -2.731 -4.647 12.587 1.00 75.44 H new ATOM 0 HE ARG A 41 -3.569 -3.836 15.193 1.00 23.13 H new ATOM 0 HH11 ARG A 41 -4.622 -3.736 11.824 1.00 64.22 H new ATOM 0 HH12 ARG A 41 -6.339 -3.729 12.241 1.00 64.22 H new ATOM 0 HH21 ARG A 41 -5.776 -3.828 15.719 1.00 14.22 H new ATOM 0 HH22 ARG A 41 -6.989 -3.781 14.436 1.00 14.22 H new ATOM 447 N ALA A 42 0.642 -4.000 16.131 1.00 35.12 N ATOM 448 CA ALA A 42 0.715 -3.107 17.281 1.00 53.24 C ATOM 449 C ALA A 42 2.145 -2.995 17.799 1.00 35.20 C ATOM 450 O ALA A 42 2.564 -1.936 18.266 1.00 24.54 O ATOM 451 CB ALA A 42 -0.213 -3.591 18.385 1.00 1.22 C ATOM 0 H ALA A 42 0.109 -4.854 16.294 1.00 35.12 H new ATOM 0 HA ALA A 42 0.394 -2.116 16.961 1.00 53.24 H new ATOM 0 HB1 ALA A 42 -0.148 -2.915 19.237 1.00 1.22 H new ATOM 0 HB2 ALA A 42 -1.238 -3.612 18.015 1.00 1.22 H new ATOM 0 HB3 ALA A 42 0.082 -4.594 18.694 1.00 1.22 H new ATOM 457 N ARG A 43 2.887 -4.094 17.714 1.00 43.12 N ATOM 458 CA ARG A 43 4.270 -4.119 18.176 1.00 33.33 C ATOM 459 C ARG A 43 5.195 -3.457 17.160 1.00 63.11 C ATOM 460 O ARG A 43 6.129 -2.745 17.528 1.00 41.03 O ATOM 461 CB ARG A 43 4.719 -5.560 18.429 1.00 40.33 C ATOM 462 CG ARG A 43 5.519 -6.158 17.283 1.00 53.21 C ATOM 463 CD ARG A 43 5.561 -7.676 17.365 1.00 14.35 C ATOM 464 NE ARG A 43 6.899 -8.201 17.110 1.00 21.00 N ATOM 465 CZ ARG A 43 7.875 -8.194 18.011 1.00 65.43 C ATOM 466 NH1 ARG A 43 7.663 -7.693 19.219 1.00 4.45 N ATOM 467 NH2 ARG A 43 9.067 -8.691 17.703 1.00 11.21 N ATOM 0 H ARG A 43 2.554 -4.978 17.330 1.00 43.12 H new ATOM 0 HA ARG A 43 4.325 -3.559 19.110 1.00 33.33 H new ATOM 0 HB2 ARG A 43 5.322 -5.590 19.336 1.00 40.33 H new ATOM 0 HB3 ARG A 43 3.840 -6.179 18.610 1.00 40.33 H new ATOM 0 HG2 ARG A 43 5.078 -5.856 16.333 1.00 53.21 H new ATOM 0 HG3 ARG A 43 6.535 -5.763 17.302 1.00 53.21 H new ATOM 0 HD2 ARG A 43 5.229 -7.995 18.353 1.00 14.35 H new ATOM 0 HD3 ARG A 43 4.862 -8.098 16.642 1.00 14.35 H new ATOM 0 HE ARG A 43 7.095 -8.595 16.190 1.00 21.00 H new ATOM 0 HH11 ARG A 43 6.748 -7.311 19.459 1.00 4.45 H new ATOM 0 HH12 ARG A 43 8.415 -7.689 19.909 1.00 4.45 H new ATOM 0 HH21 ARG A 43 9.234 -9.078 16.774 1.00 11.21 H new ATOM 0 HH22 ARG A 43 9.816 -8.685 18.395 1.00 11.21 H new ATOM 481 N ALA A 44 4.929 -3.698 15.880 1.00 3.33 N ATOM 482 CA ALA A 44 5.737 -3.124 14.811 1.00 11.11 C ATOM 483 C ALA A 44 5.390 -1.656 14.589 1.00 40.34 C ATOM 484 O ALA A 44 6.250 -0.782 14.696 1.00 50.04 O ATOM 485 CB ALA A 44 5.548 -3.914 13.525 1.00 55.25 C ATOM 0 H ALA A 44 4.161 -4.287 15.559 1.00 3.33 H new ATOM 0 HA ALA A 44 6.784 -3.181 15.109 1.00 11.11 H new ATOM 0 HB1 ALA A 44 6.157 -3.474 12.735 1.00 55.25 H new ATOM 0 HB2 ALA A 44 5.853 -4.948 13.685 1.00 55.25 H new ATOM 0 HB3 ALA A 44 4.499 -3.886 13.232 1.00 55.25 H new ATOM 491 N ALA A 45 4.125 -1.392 14.278 1.00 1.10 N ATOM 492 CA ALA A 45 3.665 -0.029 14.042 1.00 72.22 C ATOM 493 C ALA A 45 3.941 0.861 15.249 1.00 62.31 C ATOM 494 O ALA A 45 3.932 2.087 15.143 1.00 22.30 O ATOM 495 CB ALA A 45 2.180 -0.024 13.709 1.00 42.14 C ATOM 0 H ALA A 45 3.401 -2.104 14.184 1.00 1.10 H new ATOM 0 HA ALA A 45 4.219 0.373 13.193 1.00 72.22 H new ATOM 0 HB1 ALA A 45 1.850 1.000 13.535 1.00 42.14 H new ATOM 0 HB2 ALA A 45 2.006 -0.619 12.812 1.00 42.14 H new ATOM 0 HB3 ALA A 45 1.619 -0.450 14.541 1.00 42.14 H new ATOM 501 N ALA A 46 4.186 0.235 16.396 1.00 51.24 N ATOM 502 CA ALA A 46 4.466 0.971 17.622 1.00 21.24 C ATOM 503 C ALA A 46 5.741 1.797 17.488 1.00 53.20 C ATOM 504 O ALA A 46 5.688 3.004 17.251 1.00 0.12 O ATOM 505 CB ALA A 46 4.578 0.012 18.799 1.00 52.33 C ATOM 0 H ALA A 46 4.196 -0.780 16.501 1.00 51.24 H new ATOM 0 HA ALA A 46 3.638 1.656 17.802 1.00 21.24 H new ATOM 0 HB1 ALA A 46 4.787 0.575 19.708 1.00 52.33 H new ATOM 0 HB2 ALA A 46 3.640 -0.531 18.916 1.00 52.33 H new ATOM 0 HB3 ALA A 46 5.387 -0.696 18.616 1.00 52.33 H new ATOM 511 N VAL A 47 6.886 1.140 17.641 1.00 33.44 N ATOM 512 CA VAL A 47 8.174 1.814 17.537 1.00 63.33 C ATOM 513 C VAL A 47 8.925 1.374 16.285 1.00 74.34 C ATOM 514 O VAL A 47 9.793 2.090 15.786 1.00 34.33 O ATOM 515 CB VAL A 47 9.053 1.539 18.772 1.00 42.35 C ATOM 516 CG1 VAL A 47 10.376 2.282 18.662 1.00 52.55 C ATOM 517 CG2 VAL A 47 8.318 1.928 20.045 1.00 10.22 C ATOM 0 H VAL A 47 6.948 0.141 17.838 1.00 33.44 H new ATOM 0 HA VAL A 47 7.968 2.883 17.477 1.00 63.33 H new ATOM 0 HB VAL A 47 9.266 0.471 18.815 1.00 42.35 H new ATOM 0 HG11 VAL A 47 10.983 2.076 19.543 1.00 52.55 H new ATOM 0 HG12 VAL A 47 10.907 1.950 17.770 1.00 52.55 H new ATOM 0 HG13 VAL A 47 10.187 3.353 18.594 1.00 52.55 H new ATOM 0 HG21 VAL A 47 8.953 1.727 20.908 1.00 10.22 H new ATOM 0 HG22 VAL A 47 8.073 2.990 20.014 1.00 10.22 H new ATOM 0 HG23 VAL A 47 7.400 1.346 20.127 1.00 10.22 H new ATOM 527 N GLN A 48 8.583 0.192 15.782 1.00 61.15 N ATOM 528 CA GLN A 48 9.225 -0.344 14.587 1.00 42.41 C ATOM 529 C GLN A 48 8.845 0.470 13.354 1.00 65.42 C ATOM 530 O GLN A 48 9.604 0.541 12.387 1.00 30.54 O ATOM 531 CB GLN A 48 8.835 -1.809 14.386 1.00 42.00 C ATOM 532 CG GLN A 48 9.171 -2.696 15.574 1.00 64.44 C ATOM 533 CD GLN A 48 9.666 -4.067 15.156 1.00 35.53 C ATOM 534 OE1 GLN A 48 10.632 -4.588 15.714 1.00 42.12 O ATOM 535 NE2 GLN A 48 9.003 -4.661 14.170 1.00 31.14 N ATOM 0 H GLN A 48 7.866 -0.412 16.183 1.00 61.15 H new ATOM 0 HA GLN A 48 10.304 -0.279 14.725 1.00 42.41 H new ATOM 0 HB2 GLN A 48 7.764 -1.868 14.190 1.00 42.00 H new ATOM 0 HB3 GLN A 48 9.342 -2.193 13.501 1.00 42.00 H new ATOM 0 HG2 GLN A 48 9.933 -2.209 16.183 1.00 64.44 H new ATOM 0 HG3 GLN A 48 8.286 -2.809 16.201 1.00 64.44 H new ATOM 0 HE21 GLN A 48 8.208 -4.193 13.736 1.00 31.14 H new ATOM 0 HE22 GLN A 48 9.289 -5.585 13.847 1.00 31.14 H new ATOM 544 N ALA A 49 7.666 1.081 13.395 1.00 44.43 N ATOM 545 CA ALA A 49 7.187 1.891 12.281 1.00 32.14 C ATOM 546 C ALA A 49 7.205 3.374 12.634 1.00 54.52 C ATOM 547 O ALA A 49 6.849 4.222 11.815 1.00 72.24 O ATOM 548 CB ALA A 49 5.784 1.459 11.880 1.00 23.41 C ATOM 0 H ALA A 49 7.025 1.031 14.187 1.00 44.43 H new ATOM 0 HA ALA A 49 7.858 1.737 11.436 1.00 32.14 H new ATOM 0 HB1 ALA A 49 5.439 2.072 11.047 1.00 23.41 H new ATOM 0 HB2 ALA A 49 5.798 0.412 11.578 1.00 23.41 H new ATOM 0 HB3 ALA A 49 5.109 1.584 12.727 1.00 23.41 H new ATOM 554 N VAL A 50 7.621 3.682 13.858 1.00 15.33 N ATOM 555 CA VAL A 50 7.685 5.064 14.319 1.00 51.10 C ATOM 556 C VAL A 50 9.090 5.632 14.157 1.00 4.34 C ATOM 557 O VAL A 50 9.357 6.793 14.469 1.00 41.22 O ATOM 558 CB VAL A 50 7.261 5.184 15.795 1.00 61.01 C ATOM 559 CG1 VAL A 50 8.472 5.078 16.709 1.00 45.02 C ATOM 560 CG2 VAL A 50 6.518 6.490 16.031 1.00 74.11 C ATOM 0 H VAL A 50 7.919 2.993 14.549 1.00 15.33 H new ATOM 0 HA VAL A 50 6.992 5.636 13.703 1.00 51.10 H new ATOM 0 HB VAL A 50 6.586 4.361 16.029 1.00 61.01 H new ATOM 0 HG11 VAL A 50 8.153 5.165 17.748 1.00 45.02 H new ATOM 0 HG12 VAL A 50 8.958 4.114 16.558 1.00 45.02 H new ATOM 0 HG13 VAL A 50 9.174 5.879 16.477 1.00 45.02 H new ATOM 0 HG21 VAL A 50 6.226 6.558 17.079 1.00 74.11 H new ATOM 0 HG22 VAL A 50 7.168 7.329 15.780 1.00 74.11 H new ATOM 0 HG23 VAL A 50 5.627 6.520 15.403 1.00 74.11 H new ATOM 570 N PRO A 51 10.013 4.796 13.658 1.00 12.22 N ATOM 571 CA PRO A 51 11.407 5.193 13.443 1.00 42.55 C ATOM 572 C PRO A 51 11.555 6.194 12.302 1.00 41.43 C ATOM 573 O PRO A 51 12.446 7.043 12.319 1.00 61.54 O ATOM 574 CB PRO A 51 12.101 3.875 13.091 1.00 42.34 C ATOM 575 CG PRO A 51 11.021 3.016 12.531 1.00 34.23 C ATOM 576 CD PRO A 51 9.765 3.399 13.265 1.00 23.22 C ATOM 0 HA PRO A 51 11.828 5.692 14.316 1.00 42.55 H new ATOM 0 HB2 PRO A 51 12.900 4.030 12.366 1.00 42.34 H new ATOM 0 HB3 PRO A 51 12.554 3.418 13.971 1.00 42.34 H new ATOM 0 HG2 PRO A 51 10.911 3.177 11.459 1.00 34.23 H new ATOM 0 HG3 PRO A 51 11.249 1.960 12.673 1.00 34.23 H new ATOM 0 HD2 PRO A 51 8.885 3.311 12.628 1.00 23.22 H new ATOM 0 HD3 PRO A 51 9.596 2.761 14.133 1.00 23.22 H new ATOM 584 N GLY A 52 10.675 6.090 11.311 1.00 74.13 N ATOM 585 CA GLY A 52 10.725 6.993 10.176 1.00 73.34 C ATOM 586 C GLY A 52 10.183 8.370 10.506 1.00 64.44 C ATOM 587 O GLY A 52 10.859 9.376 10.297 1.00 1.32 O ATOM 0 H GLY A 52 9.928 5.396 11.274 1.00 74.13 H new ATOM 0 HA2 GLY A 52 11.756 7.084 9.833 1.00 73.34 H new ATOM 0 HA3 GLY A 52 10.152 6.568 9.352 1.00 73.34 H new ATOM 591 N GLY A 53 8.959 8.415 11.021 1.00 35.52 N ATOM 592 CA GLY A 53 8.347 9.683 11.370 1.00 12.34 C ATOM 593 C GLY A 53 7.114 9.514 12.236 1.00 23.13 C ATOM 594 O GLY A 53 6.828 10.350 13.093 1.00 12.45 O ATOM 0 H GLY A 53 8.380 7.595 11.203 1.00 35.52 H new ATOM 0 HA2 GLY A 53 9.074 10.301 11.896 1.00 12.34 H new ATOM 0 HA3 GLY A 53 8.076 10.215 10.458 1.00 12.34 H new ATOM 598 N THR A 54 6.380 8.428 12.012 1.00 1.33 N ATOM 599 CA THR A 54 5.170 8.153 12.776 1.00 11.13 C ATOM 600 C THR A 54 4.993 6.657 13.006 1.00 23.52 C ATOM 601 O THR A 54 5.461 5.838 12.215 1.00 0.12 O ATOM 602 CB THR A 54 3.919 8.703 12.065 1.00 62.21 C ATOM 603 OG1 THR A 54 4.238 9.922 11.385 1.00 24.01 O ATOM 604 CG2 THR A 54 2.795 8.950 13.060 1.00 5.30 C ATOM 0 H THR A 54 6.603 7.725 11.307 1.00 1.33 H new ATOM 0 HA THR A 54 5.283 8.655 13.737 1.00 11.13 H new ATOM 0 HB THR A 54 3.584 7.961 11.341 1.00 62.21 H new ATOM 0 HG1 THR A 54 3.580 10.609 11.620 1.00 24.01 H new ATOM 0 HG21 THR A 54 1.923 9.338 12.534 1.00 5.30 H new ATOM 0 HG22 THR A 54 2.534 8.014 13.554 1.00 5.30 H new ATOM 0 HG23 THR A 54 3.122 9.675 13.805 1.00 5.30 H new ATOM 612 N ALA A 55 4.315 6.306 14.094 1.00 72.32 N ATOM 613 CA ALA A 55 4.074 4.907 14.426 1.00 61.12 C ATOM 614 C ALA A 55 3.057 4.284 13.475 1.00 3.13 C ATOM 615 O ALA A 55 1.897 4.086 13.834 1.00 25.13 O ATOM 616 CB ALA A 55 3.600 4.780 15.866 1.00 54.51 C ATOM 0 H ALA A 55 3.923 6.971 14.760 1.00 72.32 H new ATOM 0 HA ALA A 55 5.014 4.366 14.316 1.00 61.12 H new ATOM 0 HB1 ALA A 55 3.424 3.730 16.100 1.00 54.51 H new ATOM 0 HB2 ALA A 55 4.362 5.178 16.536 1.00 54.51 H new ATOM 0 HB3 ALA A 55 2.674 5.341 15.995 1.00 54.51 H new ATOM 622 N GLY A 56 3.500 3.978 12.260 1.00 65.15 N ATOM 623 CA GLY A 56 2.616 3.382 11.276 1.00 73.51 C ATOM 624 C GLY A 56 3.337 2.413 10.359 1.00 14.13 C ATOM 625 O GLY A 56 4.075 2.827 9.466 1.00 14.31 O ATOM 0 H GLY A 56 4.456 4.132 11.939 1.00 65.15 H new ATOM 0 HA2 GLY A 56 1.808 2.860 11.788 1.00 73.51 H new ATOM 0 HA3 GLY A 56 2.158 4.170 10.679 1.00 73.51 H new ATOM 629 N GLU A 57 3.124 1.120 10.582 1.00 73.11 N ATOM 630 CA GLU A 57 3.762 0.090 9.770 1.00 54.53 C ATOM 631 C GLU A 57 2.810 -0.418 8.690 1.00 23.13 C ATOM 632 O GLU A 57 1.902 0.294 8.262 1.00 61.03 O ATOM 633 CB GLU A 57 4.220 -1.074 10.650 1.00 5.33 C ATOM 634 CG GLU A 57 5.602 -1.598 10.295 1.00 11.33 C ATOM 635 CD GLU A 57 5.777 -3.063 10.643 1.00 71.32 C ATOM 636 OE1 GLU A 57 4.770 -3.802 10.627 1.00 2.33 O ATOM 637 OE2 GLU A 57 6.922 -3.472 10.930 1.00 12.51 O ATOM 0 H GLU A 57 2.515 0.761 11.317 1.00 73.11 H new ATOM 0 HA GLU A 57 4.632 0.533 9.285 1.00 54.53 H new ATOM 0 HB2 GLU A 57 4.219 -0.753 11.692 1.00 5.33 H new ATOM 0 HB3 GLU A 57 3.499 -1.888 10.566 1.00 5.33 H new ATOM 0 HG2 GLU A 57 5.776 -1.458 9.228 1.00 11.33 H new ATOM 0 HG3 GLU A 57 6.355 -1.011 10.821 1.00 11.33 H new ATOM 644 N VAL A 58 3.026 -1.655 8.255 1.00 62.24 N ATOM 645 CA VAL A 58 2.189 -2.260 7.226 1.00 72.51 C ATOM 646 C VAL A 58 1.738 -3.658 7.636 1.00 64.11 C ATOM 647 O VAL A 58 2.540 -4.466 8.104 1.00 73.23 O ATOM 648 CB VAL A 58 2.929 -2.346 5.878 1.00 25.51 C ATOM 649 CG1 VAL A 58 2.144 -3.196 4.891 1.00 65.35 C ATOM 650 CG2 VAL A 58 3.177 -0.954 5.317 1.00 22.41 C ATOM 0 H VAL A 58 3.773 -2.258 8.599 1.00 62.24 H new ATOM 0 HA VAL A 58 1.315 -1.618 7.112 1.00 72.51 H new ATOM 0 HB VAL A 58 3.895 -2.823 6.043 1.00 25.51 H new ATOM 0 HG11 VAL A 58 2.682 -3.245 3.945 1.00 65.35 H new ATOM 0 HG12 VAL A 58 2.024 -4.202 5.293 1.00 65.35 H new ATOM 0 HG13 VAL A 58 1.163 -2.751 4.727 1.00 65.35 H new ATOM 0 HG21 VAL A 58 3.701 -1.034 4.364 1.00 22.41 H new ATOM 0 HG22 VAL A 58 2.224 -0.448 5.166 1.00 22.41 H new ATOM 0 HG23 VAL A 58 3.784 -0.382 6.018 1.00 22.41 H new ATOM 660 N GLU A 59 0.451 -3.935 7.456 1.00 32.42 N ATOM 661 CA GLU A 59 -0.106 -5.236 7.808 1.00 31.32 C ATOM 662 C GLU A 59 -0.278 -6.108 6.568 1.00 72.23 C ATOM 663 O GLU A 59 -0.958 -5.726 5.615 1.00 54.01 O ATOM 664 CB GLU A 59 -1.452 -5.065 8.516 1.00 71.34 C ATOM 665 CG GLU A 59 -2.122 -6.381 8.875 1.00 55.34 C ATOM 666 CD GLU A 59 -2.345 -6.534 10.367 1.00 40.03 C ATOM 667 OE1 GLU A 59 -1.367 -6.830 11.084 1.00 4.24 O ATOM 668 OE2 GLU A 59 -3.496 -6.359 10.817 1.00 55.45 O ATOM 0 H GLU A 59 -0.225 -3.277 7.069 1.00 32.42 H new ATOM 0 HA GLU A 59 0.592 -5.730 8.484 1.00 31.32 H new ATOM 0 HB2 GLU A 59 -1.303 -4.483 9.425 1.00 71.34 H new ATOM 0 HB3 GLU A 59 -2.120 -4.490 7.875 1.00 71.34 H new ATOM 0 HG2 GLU A 59 -3.080 -6.449 8.359 1.00 55.34 H new ATOM 0 HG3 GLU A 59 -1.508 -7.207 8.517 1.00 55.34 H new ATOM 675 N THR A 60 0.344 -7.283 6.586 1.00 0.02 N ATOM 676 CA THR A 60 0.262 -8.209 5.464 1.00 41.13 C ATOM 677 C THR A 60 -0.606 -9.414 5.807 1.00 13.22 C ATOM 678 O THR A 60 -0.233 -10.243 6.636 1.00 3.22 O ATOM 679 CB THR A 60 1.658 -8.701 5.039 1.00 63.35 C ATOM 680 OG1 THR A 60 1.534 -9.779 4.104 1.00 22.43 O ATOM 681 CG2 THR A 60 2.461 -9.160 6.246 1.00 23.14 C ATOM 0 H THR A 60 0.910 -7.616 7.366 1.00 0.02 H new ATOM 0 HA THR A 60 -0.191 -7.663 4.636 1.00 41.13 H new ATOM 0 HB THR A 60 2.184 -7.870 4.568 1.00 63.35 H new ATOM 0 HG1 THR A 60 2.426 -10.085 3.838 1.00 22.43 H new ATOM 0 HG21 THR A 60 3.443 -9.503 5.921 1.00 23.14 H new ATOM 0 HG22 THR A 60 2.579 -8.329 6.942 1.00 23.14 H new ATOM 0 HG23 THR A 60 1.937 -9.977 6.742 1.00 23.14 H new ATOM 689 N GLU A 61 -1.766 -9.504 5.164 1.00 72.20 N ATOM 690 CA GLU A 61 -2.687 -10.609 5.403 1.00 73.11 C ATOM 691 C GLU A 61 -3.272 -11.123 4.091 1.00 75.04 C ATOM 692 O GLU A 61 -3.264 -10.424 3.077 1.00 41.31 O ATOM 693 CB GLU A 61 -3.815 -10.169 6.339 1.00 23.11 C ATOM 694 CG GLU A 61 -3.806 -10.883 7.680 1.00 23.32 C ATOM 695 CD GLU A 61 -5.000 -11.800 7.861 1.00 62.32 C ATOM 696 OE1 GLU A 61 -5.323 -12.546 6.913 1.00 62.34 O ATOM 697 OE2 GLU A 61 -5.611 -11.772 8.949 1.00 31.12 O ATOM 0 H GLU A 61 -2.090 -8.826 4.474 1.00 72.20 H new ATOM 0 HA GLU A 61 -2.129 -11.418 5.874 1.00 73.11 H new ATOM 0 HB2 GLU A 61 -3.737 -9.095 6.508 1.00 23.11 H new ATOM 0 HB3 GLU A 61 -4.772 -10.346 5.849 1.00 23.11 H new ATOM 0 HG2 GLU A 61 -2.889 -11.465 7.771 1.00 23.32 H new ATOM 0 HG3 GLU A 61 -3.796 -10.144 8.481 1.00 23.32 H new ATOM 704 N THR A 62 -3.781 -12.351 4.117 1.00 64.33 N ATOM 705 CA THR A 62 -4.368 -12.961 2.930 1.00 14.35 C ATOM 706 C THR A 62 -5.800 -13.411 3.196 1.00 73.12 C ATOM 707 O THR A 62 -6.044 -14.274 4.038 1.00 60.10 O ATOM 708 CB THR A 62 -3.542 -14.170 2.452 1.00 54.40 C ATOM 709 OG1 THR A 62 -3.050 -14.903 3.579 1.00 61.32 O ATOM 710 CG2 THR A 62 -2.377 -13.719 1.585 1.00 65.22 C ATOM 0 H THR A 62 -3.799 -12.943 4.948 1.00 64.33 H new ATOM 0 HA THR A 62 -4.367 -12.200 2.150 1.00 14.35 H new ATOM 0 HB THR A 62 -4.190 -14.813 1.856 1.00 54.40 H new ATOM 0 HG1 THR A 62 -2.527 -15.671 3.267 1.00 61.32 H new ATOM 0 HG21 THR A 62 -1.808 -14.589 1.259 1.00 65.22 H new ATOM 0 HG22 THR A 62 -2.757 -13.187 0.713 1.00 65.22 H new ATOM 0 HG23 THR A 62 -1.730 -13.057 2.161 1.00 65.22 H new ATOM 718 N GLY A 63 -6.746 -12.821 2.471 1.00 43.24 N ATOM 719 CA GLY A 63 -8.142 -13.175 2.643 1.00 74.44 C ATOM 720 C GLY A 63 -8.699 -13.933 1.454 1.00 40.05 C ATOM 721 O GLY A 63 -7.979 -14.682 0.795 1.00 25.42 O ATOM 0 H GLY A 63 -6.570 -12.104 1.767 1.00 43.24 H new ATOM 0 HA2 GLY A 63 -8.251 -13.783 3.541 1.00 74.44 H new ATOM 0 HA3 GLY A 63 -8.727 -12.269 2.798 1.00 74.44 H new ATOM 725 N GLU A 64 -9.985 -13.739 1.179 1.00 11.51 N ATOM 726 CA GLU A 64 -10.638 -14.412 0.062 1.00 25.14 C ATOM 727 C GLU A 64 -10.457 -13.622 -1.230 1.00 40.53 C ATOM 728 O GLU A 64 -10.911 -14.039 -2.295 1.00 21.23 O ATOM 729 CB GLU A 64 -12.128 -14.602 0.353 1.00 63.31 C ATOM 730 CG GLU A 64 -12.827 -15.522 -0.633 1.00 74.42 C ATOM 731 CD GLU A 64 -13.614 -16.622 0.053 1.00 72.44 C ATOM 732 OE1 GLU A 64 -14.782 -16.377 0.420 1.00 51.12 O ATOM 733 OE2 GLU A 64 -13.061 -17.729 0.222 1.00 72.55 O ATOM 0 H GLU A 64 -10.595 -13.121 1.714 1.00 11.51 H new ATOM 0 HA GLU A 64 -10.172 -15.390 -0.063 1.00 25.14 H new ATOM 0 HB2 GLU A 64 -12.245 -15.005 1.359 1.00 63.31 H new ATOM 0 HB3 GLU A 64 -12.619 -13.629 0.340 1.00 63.31 H new ATOM 0 HG2 GLU A 64 -13.500 -14.935 -1.258 1.00 74.42 H new ATOM 0 HG3 GLU A 64 -12.086 -15.969 -1.295 1.00 74.42 H new ATOM 740 N GLY A 65 -9.790 -12.475 -1.128 1.00 74.53 N ATOM 741 CA GLY A 65 -9.562 -11.644 -2.295 1.00 41.24 C ATOM 742 C GLY A 65 -8.181 -11.844 -2.888 1.00 53.34 C ATOM 743 O GLY A 65 -7.825 -12.952 -3.288 1.00 43.42 O ATOM 0 H GLY A 65 -9.404 -12.108 -0.258 1.00 74.53 H new ATOM 0 HA2 GLY A 65 -10.315 -11.869 -3.051 1.00 41.24 H new ATOM 0 HA3 GLY A 65 -9.689 -10.596 -2.022 1.00 41.24 H new ATOM 747 N ALA A 66 -7.403 -10.768 -2.947 1.00 61.22 N ATOM 748 CA ALA A 66 -6.054 -10.831 -3.496 1.00 2.35 C ATOM 749 C ALA A 66 -5.025 -10.350 -2.478 1.00 42.31 C ATOM 750 O ALA A 66 -4.313 -11.152 -1.875 1.00 1.24 O ATOM 751 CB ALA A 66 -5.964 -10.006 -4.771 1.00 4.53 C ATOM 0 H ALA A 66 -7.684 -9.843 -2.622 1.00 61.22 H new ATOM 0 HA ALA A 66 -5.833 -11.871 -3.734 1.00 2.35 H new ATOM 0 HB1 ALA A 66 -4.951 -10.062 -5.170 1.00 4.53 H new ATOM 0 HB2 ALA A 66 -6.666 -10.397 -5.507 1.00 4.53 H new ATOM 0 HB3 ALA A 66 -6.210 -8.967 -4.550 1.00 4.53 H new ATOM 757 N ALA A 67 -4.952 -9.036 -2.293 1.00 44.34 N ATOM 758 CA ALA A 67 -4.010 -8.448 -1.348 1.00 33.41 C ATOM 759 C ALA A 67 -4.722 -7.986 -0.081 1.00 4.12 C ATOM 760 O ALA A 67 -5.105 -6.823 0.037 1.00 11.45 O ATOM 761 CB ALA A 67 -3.269 -7.287 -1.993 1.00 52.15 C ATOM 0 H ALA A 67 -5.534 -8.358 -2.785 1.00 44.34 H new ATOM 0 HA ALA A 67 -3.287 -9.214 -1.069 1.00 33.41 H new ATOM 0 HB1 ALA A 67 -2.569 -6.858 -1.275 1.00 52.15 H new ATOM 0 HB2 ALA A 67 -2.721 -7.644 -2.865 1.00 52.15 H new ATOM 0 HB3 ALA A 67 -3.985 -6.525 -2.302 1.00 52.15 H new ATOM 767 N ALA A 68 -4.895 -8.904 0.864 1.00 61.52 N ATOM 768 CA ALA A 68 -5.559 -8.590 2.123 1.00 50.14 C ATOM 769 C ALA A 68 -4.590 -7.946 3.108 1.00 13.34 C ATOM 770 O ALA A 68 -4.367 -8.464 4.203 1.00 44.04 O ATOM 771 CB ALA A 68 -6.170 -9.846 2.725 1.00 35.21 C ATOM 0 H ALA A 68 -4.584 -9.872 0.781 1.00 61.52 H new ATOM 0 HA ALA A 68 -6.356 -7.875 1.917 1.00 50.14 H new ATOM 0 HB1 ALA A 68 -6.663 -9.597 3.665 1.00 35.21 H new ATOM 0 HB2 ALA A 68 -6.901 -10.263 2.032 1.00 35.21 H new ATOM 0 HB3 ALA A 68 -5.385 -10.580 2.910 1.00 35.21 H new ATOM 777 N TYR A 69 -4.018 -6.814 2.714 1.00 44.03 N ATOM 778 CA TYR A 69 -3.070 -6.101 3.562 1.00 41.33 C ATOM 779 C TYR A 69 -3.604 -4.721 3.934 1.00 3.13 C ATOM 780 O TYR A 69 -4.472 -4.174 3.255 1.00 22.33 O ATOM 781 CB TYR A 69 -1.722 -5.964 2.853 1.00 44.34 C ATOM 782 CG TYR A 69 -1.360 -4.536 2.509 1.00 33.30 C ATOM 783 CD1 TYR A 69 -0.671 -3.737 3.413 1.00 43.04 C ATOM 784 CD2 TYR A 69 -1.709 -3.987 1.282 1.00 53.52 C ATOM 785 CE1 TYR A 69 -0.339 -2.432 3.103 1.00 10.05 C ATOM 786 CE2 TYR A 69 -1.381 -2.683 0.964 1.00 65.14 C ATOM 787 CZ TYR A 69 -0.696 -1.910 1.878 1.00 44.24 C ATOM 788 OH TYR A 69 -0.368 -0.611 1.565 1.00 5.50 O ATOM 0 H TYR A 69 -4.194 -6.370 1.813 1.00 44.03 H new ATOM 0 HA TYR A 69 -2.935 -6.678 4.477 1.00 41.33 H new ATOM 0 HB2 TYR A 69 -0.943 -6.384 3.488 1.00 44.34 H new ATOM 0 HB3 TYR A 69 -1.741 -6.556 1.938 1.00 44.34 H new ATOM 0 HD1 TYR A 69 -0.390 -4.143 4.374 1.00 43.04 H new ATOM 0 HD2 TYR A 69 -2.246 -4.590 0.564 1.00 53.52 H new ATOM 0 HE1 TYR A 69 0.197 -1.824 3.817 1.00 10.05 H new ATOM 0 HE2 TYR A 69 -1.659 -2.271 0.005 1.00 65.14 H new ATOM 0 HH TYR A 69 -0.128 -0.554 0.617 1.00 5.50 H new ATOM 798 N GLY A 70 -3.076 -4.163 5.020 1.00 53.32 N ATOM 799 CA GLY A 70 -3.510 -2.851 5.465 1.00 33.40 C ATOM 800 C GLY A 70 -2.365 -2.009 5.991 1.00 60.21 C ATOM 801 O GLY A 70 -1.320 -2.537 6.371 1.00 62.22 O ATOM 0 H GLY A 70 -2.356 -4.596 5.599 1.00 53.32 H new ATOM 0 HA2 GLY A 70 -3.989 -2.330 4.636 1.00 33.40 H new ATOM 0 HA3 GLY A 70 -4.261 -2.966 6.246 1.00 33.40 H new ATOM 805 N VAL A 71 -2.560 -0.694 6.012 1.00 71.51 N ATOM 806 CA VAL A 71 -1.535 0.223 6.494 1.00 22.04 C ATOM 807 C VAL A 71 -2.006 0.969 7.738 1.00 22.41 C ATOM 808 O VAL A 71 -3.012 1.678 7.706 1.00 35.44 O ATOM 809 CB VAL A 71 -1.144 1.247 5.412 1.00 10.25 C ATOM 810 CG1 VAL A 71 -2.352 2.072 4.997 1.00 53.51 C ATOM 811 CG2 VAL A 71 -0.021 2.144 5.910 1.00 43.43 C ATOM 0 H VAL A 71 -3.419 -0.240 5.701 1.00 71.51 H new ATOM 0 HA VAL A 71 -0.663 -0.381 6.744 1.00 22.04 H new ATOM 0 HB VAL A 71 -0.785 0.706 4.536 1.00 10.25 H new ATOM 0 HG11 VAL A 71 -2.057 2.790 4.232 1.00 53.51 H new ATOM 0 HG12 VAL A 71 -3.123 1.413 4.598 1.00 53.51 H new ATOM 0 HG13 VAL A 71 -2.743 2.605 5.863 1.00 53.51 H new ATOM 0 HG21 VAL A 71 0.243 2.862 5.133 1.00 43.43 H new ATOM 0 HG22 VAL A 71 -0.350 2.678 6.801 1.00 43.43 H new ATOM 0 HG23 VAL A 71 0.850 1.536 6.153 1.00 43.43 H new ATOM 821 N LEU A 72 -1.271 0.804 8.833 1.00 55.42 N ATOM 822 CA LEU A 72 -1.613 1.463 10.089 1.00 31.31 C ATOM 823 C LEU A 72 -0.580 2.528 10.444 1.00 34.53 C ATOM 824 O LEU A 72 0.625 2.286 10.376 1.00 32.34 O ATOM 825 CB LEU A 72 -1.710 0.434 11.217 1.00 72.22 C ATOM 826 CG LEU A 72 -0.767 -0.766 11.114 1.00 13.52 C ATOM 827 CD1 LEU A 72 -1.180 -1.672 9.965 1.00 32.43 C ATOM 828 CD2 LEU A 72 0.671 -0.300 10.938 1.00 13.13 C ATOM 0 H LEU A 72 -0.436 0.220 8.876 1.00 55.42 H new ATOM 0 HA LEU A 72 -2.581 1.949 9.964 1.00 31.31 H new ATOM 0 HB2 LEU A 72 -1.518 0.942 12.162 1.00 72.22 H new ATOM 0 HB3 LEU A 72 -2.734 0.063 11.257 1.00 72.22 H new ATOM 0 HG LEU A 72 -0.832 -1.336 12.041 1.00 13.52 H new ATOM 0 HD11 LEU A 72 -0.498 -2.520 9.907 1.00 32.43 H new ATOM 0 HD12 LEU A 72 -2.195 -2.033 10.133 1.00 32.43 H new ATOM 0 HD13 LEU A 72 -1.144 -1.113 9.030 1.00 32.43 H new ATOM 0 HD21 LEU A 72 1.328 -1.167 10.866 1.00 13.13 H new ATOM 0 HD22 LEU A 72 0.752 0.293 10.027 1.00 13.13 H new ATOM 0 HD23 LEU A 72 0.964 0.308 11.794 1.00 13.13 H new ATOM 840 N VAL A 73 -1.061 3.707 10.826 1.00 61.24 N ATOM 841 CA VAL A 73 -0.180 4.808 11.195 1.00 2.12 C ATOM 842 C VAL A 73 -0.820 5.690 12.262 1.00 63.32 C ATOM 843 O VAL A 73 -1.924 6.204 12.079 1.00 64.04 O ATOM 844 CB VAL A 73 0.177 5.676 9.974 1.00 73.04 C ATOM 845 CG1 VAL A 73 -1.085 6.193 9.299 1.00 1.14 C ATOM 846 CG2 VAL A 73 1.082 6.828 10.385 1.00 73.54 C ATOM 0 H VAL A 73 -2.056 3.924 10.888 1.00 61.24 H new ATOM 0 HA VAL A 73 0.732 4.363 11.594 1.00 2.12 H new ATOM 0 HB VAL A 73 0.717 5.058 9.257 1.00 73.04 H new ATOM 0 HG11 VAL A 73 -0.813 6.804 8.438 1.00 1.14 H new ATOM 0 HG12 VAL A 73 -1.692 5.350 8.968 1.00 1.14 H new ATOM 0 HG13 VAL A 73 -1.655 6.795 10.006 1.00 1.14 H new ATOM 0 HG21 VAL A 73 1.324 7.431 9.510 1.00 73.54 H new ATOM 0 HG22 VAL A 73 0.571 7.447 11.122 1.00 73.54 H new ATOM 0 HG23 VAL A 73 2.001 6.432 10.818 1.00 73.54 H new ATOM 856 N THR A 74 -0.119 5.861 13.378 1.00 1.45 N ATOM 857 CA THR A 74 -0.618 6.680 14.476 1.00 51.32 C ATOM 858 C THR A 74 0.479 6.961 15.496 1.00 63.11 C ATOM 859 O THR A 74 1.576 7.393 15.139 1.00 33.42 O ATOM 860 CB THR A 74 -1.804 6.003 15.188 1.00 72.11 C ATOM 861 OG1 THR A 74 -2.682 5.411 14.223 1.00 4.23 O ATOM 862 CG2 THR A 74 -2.574 7.007 16.032 1.00 2.41 C ATOM 0 H THR A 74 0.796 5.443 13.546 1.00 1.45 H new ATOM 0 HA THR A 74 -0.954 7.621 14.040 1.00 51.32 H new ATOM 0 HB THR A 74 -1.410 5.227 15.844 1.00 72.11 H new ATOM 0 HG1 THR A 74 -2.830 6.040 13.486 1.00 4.23 H new ATOM 0 HG21 THR A 74 -3.407 6.505 16.525 1.00 2.41 H new ATOM 0 HG22 THR A 74 -1.911 7.434 16.784 1.00 2.41 H new ATOM 0 HG23 THR A 74 -2.957 7.802 15.392 1.00 2.41 H new ATOM 870 N ARG A 75 0.178 6.713 16.766 1.00 34.51 N ATOM 871 CA ARG A 75 1.139 6.939 17.838 1.00 2.32 C ATOM 872 C ARG A 75 1.769 5.625 18.290 1.00 4.12 C ATOM 873 O ARG A 75 1.137 4.569 18.278 1.00 64.41 O ATOM 874 CB ARG A 75 0.460 7.626 19.025 1.00 41.15 C ATOM 875 CG ARG A 75 0.778 9.108 19.134 1.00 51.43 C ATOM 876 CD ARG A 75 1.326 9.461 20.508 1.00 54.02 C ATOM 877 NE ARG A 75 0.408 9.079 21.577 1.00 34.24 N ATOM 878 CZ ARG A 75 -0.713 9.736 21.854 1.00 1.32 C ATOM 879 NH1 ARG A 75 -1.052 10.803 21.144 1.00 74.15 N ATOM 880 NH2 ARG A 75 -1.497 9.327 22.843 1.00 23.15 N ATOM 0 H ARG A 75 -0.725 6.355 17.078 1.00 34.51 H new ATOM 0 HA ARG A 75 1.927 7.587 17.454 1.00 2.32 H new ATOM 0 HB2 ARG A 75 -0.619 7.500 18.938 1.00 41.15 H new ATOM 0 HB3 ARG A 75 0.766 7.129 19.945 1.00 41.15 H new ATOM 0 HG2 ARG A 75 1.505 9.382 18.370 1.00 51.43 H new ATOM 0 HG3 ARG A 75 -0.123 9.690 18.940 1.00 51.43 H new ATOM 0 HD2 ARG A 75 2.283 8.961 20.656 1.00 54.02 H new ATOM 0 HD3 ARG A 75 1.515 10.533 20.558 1.00 54.02 H new ATOM 0 HE ARG A 75 0.640 8.262 22.143 1.00 34.24 H new ATOM 0 HH11 ARG A 75 -0.452 11.121 20.383 1.00 74.15 H new ATOM 0 HH12 ARG A 75 -1.913 11.306 21.359 1.00 74.15 H new ATOM 0 HH21 ARG A 75 -1.239 8.507 23.392 1.00 23.15 H new ATOM 0 HH22 ARG A 75 -2.357 9.833 23.054 1.00 23.15 H new ATOM 894 N PRO A 76 3.045 5.690 18.698 1.00 4.15 N ATOM 895 CA PRO A 76 3.789 4.515 19.162 1.00 60.11 C ATOM 896 C PRO A 76 3.283 4.001 20.505 1.00 13.34 C ATOM 897 O PRO A 76 3.883 3.110 21.106 1.00 2.23 O ATOM 898 CB PRO A 76 5.224 5.032 19.293 1.00 13.14 C ATOM 899 CG PRO A 76 5.079 6.498 19.515 1.00 0.21 C ATOM 900 CD PRO A 76 3.860 6.916 18.740 1.00 63.14 C ATOM 0 HA PRO A 76 3.686 3.672 18.479 1.00 60.11 H new ATOM 0 HB2 PRO A 76 5.742 4.555 20.125 1.00 13.14 H new ATOM 0 HB3 PRO A 76 5.804 4.823 18.394 1.00 13.14 H new ATOM 0 HG2 PRO A 76 4.963 6.722 20.575 1.00 0.21 H new ATOM 0 HG3 PRO A 76 5.963 7.034 19.170 1.00 0.21 H new ATOM 0 HD2 PRO A 76 3.332 7.733 19.232 1.00 63.14 H new ATOM 0 HD3 PRO A 76 4.119 7.261 17.739 1.00 63.14 H new ATOM 908 N ASP A 77 2.175 4.568 20.971 1.00 42.21 N ATOM 909 CA ASP A 77 1.587 4.166 22.243 1.00 1.14 C ATOM 910 C ASP A 77 0.560 3.057 22.041 1.00 74.12 C ATOM 911 O ASP A 77 -0.503 3.061 22.660 1.00 33.31 O ATOM 912 CB ASP A 77 0.932 5.366 22.929 1.00 51.34 C ATOM 913 CG ASP A 77 1.919 6.177 23.746 1.00 70.45 C ATOM 914 OD1 ASP A 77 2.884 5.582 24.270 1.00 4.51 O ATOM 915 OD2 ASP A 77 1.727 7.405 23.860 1.00 53.03 O ATOM 0 H ASP A 77 1.666 5.307 20.486 1.00 42.21 H new ATOM 0 HA ASP A 77 2.386 3.785 22.879 1.00 1.14 H new ATOM 0 HB2 ASP A 77 0.476 6.007 22.175 1.00 51.34 H new ATOM 0 HB3 ASP A 77 0.129 5.016 23.578 1.00 51.34 H new ATOM 920 N GLY A 78 0.885 2.108 21.168 1.00 54.13 N ATOM 921 CA GLY A 78 -0.021 1.007 20.898 1.00 61.41 C ATOM 922 C GLY A 78 -1.231 1.435 20.091 1.00 65.30 C ATOM 923 O GLY A 78 -2.052 0.604 19.700 1.00 11.54 O ATOM 0 H GLY A 78 1.759 2.082 20.643 1.00 54.13 H new ATOM 0 HA2 GLY A 78 0.513 0.225 20.358 1.00 61.41 H new ATOM 0 HA3 GLY A 78 -0.352 0.574 21.842 1.00 61.41 H new ATOM 927 N THR A 79 -1.343 2.736 19.841 1.00 71.42 N ATOM 928 CA THR A 79 -2.462 3.273 19.078 1.00 54.11 C ATOM 929 C THR A 79 -2.093 3.448 17.609 1.00 35.42 C ATOM 930 O THR A 79 -1.203 4.227 17.272 1.00 44.44 O ATOM 931 CB THR A 79 -2.928 4.628 19.643 1.00 52.30 C ATOM 932 OG1 THR A 79 -1.912 5.618 19.443 1.00 75.41 O ATOM 933 CG2 THR A 79 -3.248 4.515 21.126 1.00 41.21 C ATOM 0 H THR A 79 -0.672 3.437 20.156 1.00 71.42 H new ATOM 0 HA THR A 79 -3.276 2.553 19.162 1.00 54.11 H new ATOM 0 HB THR A 79 -3.833 4.925 19.114 1.00 52.30 H new ATOM 0 HG1 THR A 79 -1.385 5.390 18.649 1.00 75.41 H new ATOM 0 HG21 THR A 79 -3.575 5.484 21.503 1.00 41.21 H new ATOM 0 HG22 THR A 79 -4.042 3.782 21.272 1.00 41.21 H new ATOM 0 HG23 THR A 79 -2.357 4.197 21.667 1.00 41.21 H new ATOM 941 N ARG A 80 -2.784 2.718 16.740 1.00 73.44 N ATOM 942 CA ARG A 80 -2.528 2.792 15.306 1.00 33.12 C ATOM 943 C ARG A 80 -3.823 2.637 14.514 1.00 71.31 C ATOM 944 O ARG A 80 -4.807 2.091 15.013 1.00 31.21 O ATOM 945 CB ARG A 80 -1.529 1.711 14.888 1.00 15.13 C ATOM 946 CG ARG A 80 -1.336 0.624 15.933 1.00 43.21 C ATOM 947 CD ARG A 80 -1.283 -0.756 15.297 1.00 22.32 C ATOM 948 NE ARG A 80 -2.413 -1.588 15.701 1.00 72.34 N ATOM 949 CZ ARG A 80 -2.698 -1.878 16.965 1.00 22.53 C ATOM 950 NH1 ARG A 80 -1.939 -1.406 17.944 1.00 3.03 N ATOM 951 NH2 ARG A 80 -3.744 -2.642 17.253 1.00 61.42 N ATOM 0 H ARG A 80 -3.525 2.069 17.003 1.00 73.44 H new ATOM 0 HA ARG A 80 -2.104 3.772 15.088 1.00 33.12 H new ATOM 0 HB2 ARG A 80 -1.869 1.254 13.959 1.00 15.13 H new ATOM 0 HB3 ARG A 80 -0.567 2.178 14.680 1.00 15.13 H new ATOM 0 HG2 ARG A 80 -0.414 0.807 16.485 1.00 43.21 H new ATOM 0 HG3 ARG A 80 -2.152 0.662 16.655 1.00 43.21 H new ATOM 0 HD2 ARG A 80 -1.277 -0.655 14.212 1.00 22.32 H new ATOM 0 HD3 ARG A 80 -0.352 -1.249 15.577 1.00 22.32 H new ATOM 0 HE ARG A 80 -3.017 -1.967 14.972 1.00 72.34 H new ATOM 0 HH11 ARG A 80 -1.134 -0.819 17.727 1.00 3.03 H new ATOM 0 HH12 ARG A 80 -2.160 -1.630 18.914 1.00 3.03 H new ATOM 0 HH21 ARG A 80 -4.331 -3.008 16.503 1.00 61.42 H new ATOM 0 HH22 ARG A 80 -3.961 -2.864 18.225 1.00 61.42 H new ATOM 965 N VAL A 81 -3.815 3.121 13.276 1.00 11.31 N ATOM 966 CA VAL A 81 -4.988 3.036 12.414 1.00 11.23 C ATOM 967 C VAL A 81 -4.696 2.206 11.169 1.00 32.14 C ATOM 968 O VAL A 81 -4.228 2.729 10.159 1.00 54.13 O ATOM 969 CB VAL A 81 -5.471 4.434 11.984 1.00 11.01 C ATOM 970 CG1 VAL A 81 -5.969 5.221 13.187 1.00 62.20 C ATOM 971 CG2 VAL A 81 -4.358 5.185 11.269 1.00 52.02 C ATOM 0 H VAL A 81 -3.009 3.576 12.847 1.00 11.31 H new ATOM 0 HA VAL A 81 -5.773 2.551 12.994 1.00 11.23 H new ATOM 0 HB VAL A 81 -6.302 4.314 11.289 1.00 11.01 H new ATOM 0 HG11 VAL A 81 -6.306 6.206 12.863 1.00 62.20 H new ATOM 0 HG12 VAL A 81 -6.798 4.688 13.652 1.00 62.20 H new ATOM 0 HG13 VAL A 81 -5.160 5.333 13.909 1.00 62.20 H new ATOM 0 HG21 VAL A 81 -4.716 6.171 10.972 1.00 52.02 H new ATOM 0 HG22 VAL A 81 -3.505 5.296 11.939 1.00 52.02 H new ATOM 0 HG23 VAL A 81 -4.054 4.628 10.383 1.00 52.02 H new ATOM 981 N GLU A 82 -4.976 0.909 11.251 1.00 73.14 N ATOM 982 CA GLU A 82 -4.743 0.006 10.129 1.00 11.15 C ATOM 983 C GLU A 82 -5.883 0.089 9.118 1.00 44.32 C ATOM 984 O GLU A 82 -7.047 -0.119 9.459 1.00 61.53 O ATOM 985 CB GLU A 82 -4.593 -1.433 10.627 1.00 3.24 C ATOM 986 CG GLU A 82 -5.046 -2.476 9.620 1.00 31.11 C ATOM 987 CD GLU A 82 -4.126 -3.680 9.573 1.00 64.22 C ATOM 988 OE1 GLU A 82 -3.258 -3.798 10.463 1.00 5.20 O ATOM 989 OE2 GLU A 82 -4.273 -4.504 8.646 1.00 21.34 O ATOM 0 H GLU A 82 -5.364 0.460 12.081 1.00 73.14 H new ATOM 0 HA GLU A 82 -3.820 0.311 9.636 1.00 11.15 H new ATOM 0 HB2 GLU A 82 -3.548 -1.614 10.880 1.00 3.24 H new ATOM 0 HB3 GLU A 82 -5.168 -1.553 11.545 1.00 3.24 H new ATOM 0 HG2 GLU A 82 -6.055 -2.804 9.871 1.00 31.11 H new ATOM 0 HG3 GLU A 82 -5.095 -2.022 8.630 1.00 31.11 H new ATOM 996 N VAL A 83 -5.538 0.397 7.871 1.00 31.43 N ATOM 997 CA VAL A 83 -6.531 0.507 6.809 1.00 4.30 C ATOM 998 C VAL A 83 -6.654 -0.800 6.034 1.00 40.42 C ATOM 999 O VAL A 83 -5.653 -1.388 5.624 1.00 23.03 O ATOM 1000 CB VAL A 83 -6.179 1.642 5.828 1.00 31.14 C ATOM 1001 CG1 VAL A 83 -7.393 2.023 4.996 1.00 53.45 C ATOM 1002 CG2 VAL A 83 -5.639 2.848 6.582 1.00 45.05 C ATOM 0 H VAL A 83 -4.579 0.575 7.572 1.00 31.43 H new ATOM 0 HA VAL A 83 -7.484 0.733 7.288 1.00 4.30 H new ATOM 0 HB VAL A 83 -5.402 1.287 5.151 1.00 31.14 H new ATOM 0 HG11 VAL A 83 -7.126 2.826 4.309 1.00 53.45 H new ATOM 0 HG12 VAL A 83 -7.731 1.157 4.428 1.00 53.45 H new ATOM 0 HG13 VAL A 83 -8.194 2.360 5.654 1.00 53.45 H new ATOM 0 HG21 VAL A 83 -5.395 3.640 5.874 1.00 45.05 H new ATOM 0 HG22 VAL A 83 -6.393 3.207 7.283 1.00 45.05 H new ATOM 0 HG23 VAL A 83 -4.741 2.562 7.130 1.00 45.05 H new ATOM 1012 N HIS A 84 -7.889 -1.249 5.835 1.00 51.01 N ATOM 1013 CA HIS A 84 -8.144 -2.487 5.107 1.00 12.01 C ATOM 1014 C HIS A 84 -8.153 -2.240 3.601 1.00 23.25 C ATOM 1015 O HIS A 84 -8.991 -1.498 3.088 1.00 32.11 O ATOM 1016 CB HIS A 84 -9.478 -3.094 5.544 1.00 63.45 C ATOM 1017 CG HIS A 84 -9.453 -4.589 5.638 1.00 42.01 C ATOM 1018 ND1 HIS A 84 -8.722 -5.507 4.963 1.00 51.55 N flip ATOM 1019 CD2 HIS A 84 -10.250 -5.302 6.509 1.00 4.40 C flip ATOM 1020 CE1 HIS A 84 -9.086 -6.744 5.434 1.00 12.43 C flip ATOM 1021 NE2 HIS A 84 -10.009 -6.593 6.366 1.00 2.02 N flip ATOM 0 H HIS A 84 -8.728 -0.774 6.167 1.00 51.01 H new ATOM 0 HA HIS A 84 -7.341 -3.187 5.338 1.00 12.01 H new ATOM 0 HB2 HIS A 84 -9.755 -2.682 6.514 1.00 63.45 H new ATOM 0 HB3 HIS A 84 -10.253 -2.795 4.838 1.00 63.45 H new ATOM 0 HD2 HIS A 84 -10.960 -4.872 7.200 1.00 4.40 H new ATOM 0 HE1 HIS A 84 -8.683 -7.688 5.097 1.00 12.43 H new ATOM 0 HE2 HIS A 84 -10.459 -7.345 6.887 1.00 2.02 H new ATOM 1029 N LEU A 85 -7.215 -2.866 2.899 1.00 4.32 N ATOM 1030 CA LEU A 85 -7.113 -2.714 1.452 1.00 52.42 C ATOM 1031 C LEU A 85 -6.880 -4.062 0.778 1.00 50.24 C ATOM 1032 O LEU A 85 -5.899 -4.748 1.063 1.00 63.30 O ATOM 1033 CB LEU A 85 -5.978 -1.751 1.099 1.00 53.23 C ATOM 1034 CG LEU A 85 -5.172 -1.203 2.277 1.00 51.33 C ATOM 1035 CD1 LEU A 85 -3.740 -0.914 1.855 1.00 42.31 C ATOM 1036 CD2 LEU A 85 -5.829 0.051 2.835 1.00 41.40 C ATOM 0 H LEU A 85 -6.514 -3.484 3.308 1.00 4.32 H new ATOM 0 HA LEU A 85 -8.055 -2.304 1.087 1.00 52.42 H new ATOM 0 HB2 LEU A 85 -5.293 -2.261 0.422 1.00 53.23 H new ATOM 0 HB3 LEU A 85 -6.400 -0.909 0.550 1.00 53.23 H new ATOM 0 HG LEU A 85 -5.152 -1.959 3.062 1.00 51.33 H new ATOM 0 HD11 LEU A 85 -3.181 -0.525 2.706 1.00 42.31 H new ATOM 0 HD12 LEU A 85 -3.272 -1.833 1.503 1.00 42.31 H new ATOM 0 HD13 LEU A 85 -3.739 -0.176 1.052 1.00 42.31 H new ATOM 0 HD21 LEU A 85 -5.242 0.427 3.673 1.00 41.40 H new ATOM 0 HD22 LEU A 85 -5.880 0.812 2.057 1.00 41.40 H new ATOM 0 HD23 LEU A 85 -6.837 -0.187 3.176 1.00 41.40 H new ATOM 1048 N ASP A 86 -7.787 -4.434 -0.119 1.00 42.52 N ATOM 1049 CA ASP A 86 -7.678 -5.698 -0.837 1.00 74.22 C ATOM 1050 C ASP A 86 -8.093 -5.532 -2.296 1.00 31.22 C ATOM 1051 O ASP A 86 -9.132 -4.942 -2.593 1.00 2.12 O ATOM 1052 CB ASP A 86 -8.544 -6.766 -0.166 1.00 51.13 C ATOM 1053 CG ASP A 86 -7.991 -8.164 -0.358 1.00 60.33 C ATOM 1054 OD1 ASP A 86 -7.418 -8.432 -1.435 1.00 24.45 O ATOM 1055 OD2 ASP A 86 -8.132 -8.991 0.567 1.00 13.14 O ATOM 0 H ASP A 86 -8.606 -3.878 -0.366 1.00 42.52 H new ATOM 0 HA ASP A 86 -6.636 -6.015 -0.808 1.00 74.22 H new ATOM 0 HB2 ASP A 86 -8.619 -6.551 0.900 1.00 51.13 H new ATOM 0 HB3 ASP A 86 -9.554 -6.719 -0.573 1.00 51.13 H new ATOM 1060 N ARG A 87 -7.274 -6.056 -3.202 1.00 2.22 N ATOM 1061 CA ARG A 87 -7.554 -5.964 -4.630 1.00 13.45 C ATOM 1062 C ARG A 87 -8.877 -6.645 -4.969 1.00 24.30 C ATOM 1063 O ARG A 87 -9.250 -6.750 -6.137 1.00 73.33 O ATOM 1064 CB ARG A 87 -6.419 -6.598 -5.436 1.00 15.21 C ATOM 1065 CG ARG A 87 -6.309 -6.065 -6.855 1.00 50.30 C ATOM 1066 CD ARG A 87 -6.700 -7.119 -7.878 1.00 73.43 C ATOM 1067 NE ARG A 87 -6.568 -6.629 -9.248 1.00 21.24 N ATOM 1068 CZ ARG A 87 -6.742 -7.392 -10.321 1.00 54.32 C ATOM 1069 NH1 ARG A 87 -7.055 -8.673 -10.185 1.00 10.02 N ATOM 1070 NH2 ARG A 87 -6.605 -6.873 -11.535 1.00 4.34 N ATOM 0 H ARG A 87 -6.411 -6.549 -2.972 1.00 2.22 H new ATOM 0 HA ARG A 87 -7.631 -4.909 -4.893 1.00 13.45 H new ATOM 0 HB2 ARG A 87 -5.476 -6.425 -4.918 1.00 15.21 H new ATOM 0 HB3 ARG A 87 -6.569 -7.677 -5.473 1.00 15.21 H new ATOM 0 HG2 ARG A 87 -6.951 -5.191 -6.967 1.00 50.30 H new ATOM 0 HG3 ARG A 87 -5.287 -5.736 -7.043 1.00 50.30 H new ATOM 0 HD2 ARG A 87 -6.073 -8.001 -7.747 1.00 73.43 H new ATOM 0 HD3 ARG A 87 -7.730 -7.430 -7.702 1.00 73.43 H new ATOM 0 HE ARG A 87 -6.329 -5.647 -9.388 1.00 21.24 H new ATOM 0 HH11 ARG A 87 -7.163 -9.076 -9.254 1.00 10.02 H new ATOM 0 HH12 ARG A 87 -7.188 -9.256 -11.011 1.00 10.02 H new ATOM 0 HH21 ARG A 87 -6.366 -5.887 -11.644 1.00 4.34 H new ATOM 0 HH22 ARG A 87 -6.739 -7.460 -12.359 1.00 4.34 H new ATOM 1084 N ASP A 88 -9.579 -7.107 -3.940 1.00 71.04 N ATOM 1085 CA ASP A 88 -10.860 -7.778 -4.129 1.00 61.32 C ATOM 1086 C ASP A 88 -11.917 -6.800 -4.632 1.00 70.35 C ATOM 1087 O ASP A 88 -13.049 -7.188 -4.922 1.00 61.45 O ATOM 1088 CB ASP A 88 -11.322 -8.419 -2.819 1.00 52.34 C ATOM 1089 CG ASP A 88 -12.281 -9.571 -3.045 1.00 52.12 C ATOM 1090 OD1 ASP A 88 -12.412 -10.016 -4.205 1.00 23.22 O ATOM 1091 OD2 ASP A 88 -12.901 -10.028 -2.062 1.00 43.01 O ATOM 0 H ASP A 88 -9.283 -7.029 -2.967 1.00 71.04 H new ATOM 0 HA ASP A 88 -10.727 -8.558 -4.879 1.00 61.32 H new ATOM 0 HB2 ASP A 88 -10.453 -8.776 -2.267 1.00 52.34 H new ATOM 0 HB3 ASP A 88 -11.805 -7.664 -2.199 1.00 52.34 H new ATOM 1096 N PHE A 89 -11.540 -5.530 -4.733 1.00 14.22 N ATOM 1097 CA PHE A 89 -12.456 -4.495 -5.199 1.00 75.50 C ATOM 1098 C PHE A 89 -13.554 -4.238 -4.171 1.00 54.31 C ATOM 1099 O PHE A 89 -14.569 -3.610 -4.475 1.00 71.30 O ATOM 1100 CB PHE A 89 -13.079 -4.901 -6.536 1.00 74.14 C ATOM 1101 CG PHE A 89 -12.105 -5.546 -7.480 1.00 52.35 C ATOM 1102 CD1 PHE A 89 -11.051 -4.820 -8.011 1.00 24.23 C ATOM 1103 CD2 PHE A 89 -12.244 -6.877 -7.838 1.00 74.11 C ATOM 1104 CE1 PHE A 89 -10.152 -5.410 -8.880 1.00 31.55 C ATOM 1105 CE2 PHE A 89 -11.349 -7.473 -8.706 1.00 42.20 C ATOM 1106 CZ PHE A 89 -10.302 -6.738 -9.228 1.00 71.34 C ATOM 0 H PHE A 89 -10.606 -5.192 -4.498 1.00 14.22 H new ATOM 0 HA PHE A 89 -11.887 -3.575 -5.335 1.00 75.50 H new ATOM 0 HB2 PHE A 89 -13.903 -5.590 -6.350 1.00 74.14 H new ATOM 0 HB3 PHE A 89 -13.504 -4.018 -7.013 1.00 74.14 H new ATOM 0 HD1 PHE A 89 -10.930 -3.781 -7.743 1.00 24.23 H new ATOM 0 HD2 PHE A 89 -13.061 -7.456 -7.434 1.00 74.11 H new ATOM 0 HE1 PHE A 89 -9.334 -4.833 -9.286 1.00 31.55 H new ATOM 0 HE2 PHE A 89 -11.468 -8.512 -8.976 1.00 42.20 H new ATOM 0 HZ PHE A 89 -9.602 -7.201 -9.907 1.00 71.34 H new ATOM 1116 N ARG A 90 -13.343 -4.727 -2.954 1.00 34.14 N ATOM 1117 CA ARG A 90 -14.315 -4.552 -1.881 1.00 10.11 C ATOM 1118 C ARG A 90 -13.620 -4.185 -0.573 1.00 13.02 C ATOM 1119 O ARG A 90 -14.271 -3.976 0.451 1.00 75.21 O ATOM 1120 CB ARG A 90 -15.136 -5.829 -1.694 1.00 30.11 C ATOM 1121 CG ARG A 90 -14.370 -6.951 -1.012 1.00 33.01 C ATOM 1122 CD ARG A 90 -14.711 -7.039 0.467 1.00 34.24 C ATOM 1123 NE ARG A 90 -15.237 -8.353 0.831 1.00 44.34 N ATOM 1124 CZ ARG A 90 -14.486 -9.444 0.923 1.00 23.53 C ATOM 1125 NH1 ARG A 90 -13.184 -9.380 0.681 1.00 23.20 N ATOM 1126 NH2 ARG A 90 -15.037 -10.604 1.259 1.00 1.24 N ATOM 0 H ARG A 90 -12.508 -5.248 -2.686 1.00 34.14 H new ATOM 0 HA ARG A 90 -14.983 -3.737 -2.159 1.00 10.11 H new ATOM 0 HB2 ARG A 90 -16.024 -5.597 -1.106 1.00 30.11 H new ATOM 0 HB3 ARG A 90 -15.480 -6.175 -2.668 1.00 30.11 H new ATOM 0 HG2 ARG A 90 -14.602 -7.899 -1.497 1.00 33.01 H new ATOM 0 HG3 ARG A 90 -13.299 -6.786 -1.130 1.00 33.01 H new ATOM 0 HD2 ARG A 90 -13.819 -6.829 1.058 1.00 34.24 H new ATOM 0 HD3 ARG A 90 -15.445 -6.273 0.716 1.00 34.24 H new ATOM 0 HE ARG A 90 -16.235 -8.436 1.025 1.00 44.34 H new ATOM 0 HH11 ARG A 90 -12.756 -8.491 0.423 1.00 23.20 H new ATOM 0 HH12 ARG A 90 -12.610 -10.220 0.753 1.00 23.20 H new ATOM 0 HH21 ARG A 90 -16.038 -10.658 1.447 1.00 1.24 H new ATOM 0 HH22 ARG A 90 -14.459 -11.442 1.329 1.00 1.24 H new ATOM 1140 N VAL A 91 -12.294 -4.109 -0.614 1.00 42.32 N ATOM 1141 CA VAL A 91 -11.510 -3.767 0.567 1.00 55.31 C ATOM 1142 C VAL A 91 -10.734 -2.472 0.355 1.00 10.23 C ATOM 1143 O VAL A 91 -9.605 -2.485 -0.137 1.00 71.32 O ATOM 1144 CB VAL A 91 -10.523 -4.891 0.930 1.00 23.23 C ATOM 1145 CG1 VAL A 91 -9.663 -4.484 2.118 1.00 74.43 C ATOM 1146 CG2 VAL A 91 -11.271 -6.184 1.221 1.00 43.51 C ATOM 0 H VAL A 91 -11.740 -4.280 -1.453 1.00 42.32 H new ATOM 0 HA VAL A 91 -12.215 -3.634 1.388 1.00 55.31 H new ATOM 0 HB VAL A 91 -9.866 -5.062 0.078 1.00 23.23 H new ATOM 0 HG11 VAL A 91 -8.972 -5.291 2.360 1.00 74.43 H new ATOM 0 HG12 VAL A 91 -9.099 -3.586 1.868 1.00 74.43 H new ATOM 0 HG13 VAL A 91 -10.302 -4.284 2.978 1.00 74.43 H new ATOM 0 HG21 VAL A 91 -10.558 -6.968 1.476 1.00 43.51 H new ATOM 0 HG22 VAL A 91 -11.954 -6.029 2.056 1.00 43.51 H new ATOM 0 HG23 VAL A 91 -11.838 -6.482 0.339 1.00 43.51 H new ATOM 1156 N LEU A 92 -11.345 -1.354 0.731 1.00 55.12 N ATOM 1157 CA LEU A 92 -10.711 -0.048 0.583 1.00 35.41 C ATOM 1158 C LEU A 92 -11.002 0.838 1.790 1.00 23.32 C ATOM 1159 O LEU A 92 -10.682 2.026 1.792 1.00 45.55 O ATOM 1160 CB LEU A 92 -11.199 0.636 -0.695 1.00 74.32 C ATOM 1161 CG LEU A 92 -11.563 -0.291 -1.856 1.00 31.24 C ATOM 1162 CD1 LEU A 92 -13.073 -0.413 -1.989 1.00 12.42 C ATOM 1163 CD2 LEU A 92 -10.950 0.214 -3.154 1.00 33.32 C ATOM 0 H LEU A 92 -12.279 -1.325 1.141 1.00 55.12 H new ATOM 0 HA LEU A 92 -9.634 -0.200 0.518 1.00 35.41 H new ATOM 0 HB2 LEU A 92 -12.074 1.238 -0.449 1.00 74.32 H new ATOM 0 HB3 LEU A 92 -10.424 1.323 -1.034 1.00 74.32 H new ATOM 0 HG LEU A 92 -11.157 -1.281 -1.647 1.00 31.24 H new ATOM 0 HD11 LEU A 92 -13.313 -1.076 -2.820 1.00 12.42 H new ATOM 0 HD12 LEU A 92 -13.488 -0.822 -1.067 1.00 12.42 H new ATOM 0 HD13 LEU A 92 -13.503 0.571 -2.175 1.00 12.42 H new ATOM 0 HD21 LEU A 92 -11.219 -0.458 -3.969 1.00 33.32 H new ATOM 0 HD22 LEU A 92 -11.326 1.214 -3.369 1.00 33.32 H new ATOM 0 HD23 LEU A 92 -9.865 0.248 -3.055 1.00 33.32 H new ATOM 1175 N ASP A 93 -11.608 0.251 2.816 1.00 22.42 N ATOM 1176 CA ASP A 93 -11.938 0.986 4.032 1.00 73.24 C ATOM 1177 C ASP A 93 -10.832 0.840 5.072 1.00 14.43 C ATOM 1178 O ASP A 93 -9.997 -0.060 4.985 1.00 22.23 O ATOM 1179 CB ASP A 93 -13.266 0.491 4.607 1.00 21.35 C ATOM 1180 CG ASP A 93 -14.164 1.628 5.052 1.00 53.23 C ATOM 1181 OD1 ASP A 93 -14.685 2.350 4.175 1.00 23.54 O ATOM 1182 OD2 ASP A 93 -14.346 1.798 6.276 1.00 74.33 O ATOM 0 H ASP A 93 -11.881 -0.732 2.830 1.00 22.42 H new ATOM 0 HA ASP A 93 -12.033 2.041 3.776 1.00 73.24 H new ATOM 0 HB2 ASP A 93 -13.784 -0.105 3.856 1.00 21.35 H new ATOM 0 HB3 ASP A 93 -13.069 -0.166 5.454 1.00 21.35 H new ATOM 1187 N THR A 94 -10.832 1.734 6.057 1.00 31.30 N ATOM 1188 CA THR A 94 -9.828 1.707 7.113 1.00 32.31 C ATOM 1189 C THR A 94 -10.320 0.914 8.319 1.00 42.11 C ATOM 1190 O THR A 94 -11.482 0.514 8.378 1.00 41.05 O ATOM 1191 CB THR A 94 -9.452 3.130 7.567 1.00 30.32 C ATOM 1192 OG1 THR A 94 -8.313 3.082 8.434 1.00 14.32 O ATOM 1193 CG2 THR A 94 -10.616 3.794 8.287 1.00 74.34 C ATOM 0 H THR A 94 -11.516 2.485 6.145 1.00 31.30 H new ATOM 0 HA THR A 94 -8.945 1.221 6.698 1.00 32.31 H new ATOM 0 HB THR A 94 -9.210 3.718 6.682 1.00 30.32 H new ATOM 0 HG1 THR A 94 -8.079 3.991 8.717 1.00 14.32 H new ATOM 0 HG21 THR A 94 -10.327 4.798 8.598 1.00 74.34 H new ATOM 0 HG22 THR A 94 -11.472 3.855 7.615 1.00 74.34 H new ATOM 0 HG23 THR A 94 -10.884 3.206 9.164 1.00 74.34 H new ATOM 1201 N GLU A 95 -9.428 0.692 9.279 1.00 65.51 N ATOM 1202 CA GLU A 95 -9.773 -0.054 10.484 1.00 65.04 C ATOM 1203 C GLU A 95 -9.016 0.487 11.693 1.00 22.35 C ATOM 1204 O GLU A 95 -7.787 0.555 11.709 1.00 43.01 O ATOM 1205 CB GLU A 95 -9.462 -1.541 10.297 1.00 40.43 C ATOM 1206 CG GLU A 95 -10.412 -2.460 11.046 1.00 52.34 C ATOM 1207 CD GLU A 95 -10.661 -3.764 10.313 1.00 2.10 C ATOM 1208 OE1 GLU A 95 -9.677 -4.464 9.996 1.00 43.34 O ATOM 1209 OE2 GLU A 95 -11.841 -4.085 10.058 1.00 44.44 O ATOM 0 H GLU A 95 -8.462 1.018 9.246 1.00 65.51 H new ATOM 0 HA GLU A 95 -10.842 0.066 10.662 1.00 65.04 H new ATOM 0 HB2 GLU A 95 -9.500 -1.781 9.234 1.00 40.43 H new ATOM 0 HB3 GLU A 95 -8.443 -1.735 10.631 1.00 40.43 H new ATOM 0 HG2 GLU A 95 -10.001 -2.675 12.033 1.00 52.34 H new ATOM 0 HG3 GLU A 95 -11.361 -1.947 11.200 1.00 52.34 H new ATOM 1216 N PRO A 96 -9.767 0.881 12.733 1.00 43.25 N ATOM 1217 CA PRO A 96 -9.189 1.423 13.966 1.00 31.01 C ATOM 1218 C PRO A 96 -8.452 0.362 14.776 1.00 61.22 C ATOM 1219 O PRO A 96 -8.990 -0.712 15.046 1.00 50.54 O ATOM 1220 CB PRO A 96 -10.410 1.931 14.737 1.00 75.34 C ATOM 1221 CG PRO A 96 -11.547 1.113 14.227 1.00 24.31 C ATOM 1222 CD PRO A 96 -11.237 0.828 12.783 1.00 15.33 C ATOM 0 HA PRO A 96 -8.445 2.193 13.763 1.00 31.01 H new ATOM 0 HB2 PRO A 96 -10.281 1.803 15.812 1.00 75.34 H new ATOM 0 HB3 PRO A 96 -10.576 2.994 14.560 1.00 75.34 H new ATOM 0 HG2 PRO A 96 -11.648 0.188 14.795 1.00 24.31 H new ATOM 0 HG3 PRO A 96 -12.490 1.651 14.325 1.00 24.31 H new ATOM 0 HD2 PRO A 96 -11.615 -0.147 12.476 1.00 15.33 H new ATOM 0 HD3 PRO A 96 -11.689 1.567 12.122 1.00 15.33 H new ATOM 1230 N ALA A 97 -7.218 0.669 15.161 1.00 3.40 N ATOM 1231 CA ALA A 97 -6.408 -0.257 15.942 1.00 20.32 C ATOM 1232 C ALA A 97 -6.060 0.332 17.305 1.00 43.22 C ATOM 1233 O ALA A 97 -5.380 1.355 17.394 1.00 62.30 O ATOM 1234 CB ALA A 97 -5.141 -0.620 15.183 1.00 63.45 C ATOM 0 H ALA A 97 -6.757 1.553 14.944 1.00 3.40 H new ATOM 0 HA ALA A 97 -6.992 -1.162 16.105 1.00 20.32 H new ATOM 0 HB1 ALA A 97 -4.546 -1.312 15.779 1.00 63.45 H new ATOM 0 HB2 ALA A 97 -5.406 -1.091 14.236 1.00 63.45 H new ATOM 0 HB3 ALA A 97 -4.562 0.283 14.989 1.00 63.45 H new ATOM 1240 N ASP A 98 -6.530 -0.318 18.363 1.00 32.22 N ATOM 1241 CA ASP A 98 -6.268 0.142 19.722 1.00 30.40 C ATOM 1242 C ASP A 98 -5.556 -0.937 20.533 1.00 53.11 C ATOM 1243 O ASP A 98 -5.959 -1.254 21.651 1.00 3.34 O ATOM 1244 CB ASP A 98 -7.575 0.536 20.411 1.00 74.10 C ATOM 1245 CG ASP A 98 -8.531 1.250 19.475 1.00 4.01 C ATOM 1246 OD1 ASP A 98 -8.085 2.175 18.764 1.00 4.11 O ATOM 1247 OD2 ASP A 98 -9.724 0.883 19.453 1.00 41.41 O ATOM 0 H ASP A 98 -7.095 -1.166 18.306 1.00 32.22 H new ATOM 0 HA ASP A 98 -5.619 1.016 19.665 1.00 30.40 H new ATOM 0 HB2 ASP A 98 -8.058 -0.358 20.806 1.00 74.10 H new ATOM 0 HB3 ASP A 98 -7.354 1.181 21.261 1.00 74.10 H new ATOM 1252 N GLY A 99 -4.496 -1.498 19.960 1.00 71.54 N ATOM 1253 CA GLY A 99 -3.746 -2.536 20.643 1.00 72.33 C ATOM 1254 C GLY A 99 -4.504 -3.847 20.715 1.00 61.23 C ATOM 1255 O GLY A 99 -3.917 -4.898 20.973 1.00 3.12 O ATOM 0 H GLY A 99 -4.143 -1.252 19.035 1.00 71.54 H new ATOM 0 HA2 GLY A 99 -2.799 -2.695 20.127 1.00 72.33 H new ATOM 0 HA3 GLY A 99 -3.507 -2.202 21.653 1.00 72.33 H new ATOM 1259 N ASP A 100 -5.811 -3.786 20.487 1.00 32.13 N ATOM 1260 CA ASP A 100 -6.651 -4.978 20.528 1.00 1.22 C ATOM 1261 C ASP A 100 -6.838 -5.559 19.130 1.00 14.41 C ATOM 1262 O ASP A 100 -6.440 -6.690 18.858 1.00 24.34 O ATOM 1263 CB ASP A 100 -8.012 -4.648 21.144 1.00 43.14 C ATOM 1264 CG ASP A 100 -8.564 -5.790 21.974 1.00 4.11 C ATOM 1265 OD1 ASP A 100 -7.768 -6.458 22.668 1.00 72.02 O ATOM 1266 OD2 ASP A 100 -9.791 -6.015 21.931 1.00 21.02 O ATOM 0 H ASP A 100 -6.312 -2.924 20.272 1.00 32.13 H new ATOM 0 HA ASP A 100 -6.152 -5.723 21.148 1.00 1.22 H new ATOM 0 HB2 ASP A 100 -7.919 -3.760 21.769 1.00 43.14 H new ATOM 0 HB3 ASP A 100 -8.718 -4.406 20.350 1.00 43.14 H new ATOM 1271 N GLY A 101 -7.450 -4.776 18.246 1.00 4.52 N ATOM 1272 CA GLY A 101 -7.681 -5.230 16.887 1.00 5.24 C ATOM 1273 C GLY A 101 -8.860 -6.176 16.785 1.00 14.20 C ATOM 1274 O GLY A 101 -8.923 -7.005 15.879 1.00 73.15 O ATOM 0 H GLY A 101 -7.790 -3.836 18.447 1.00 4.52 H new ATOM 0 HA2 GLY A 101 -7.854 -4.367 16.244 1.00 5.24 H new ATOM 0 HA3 GLY A 101 -6.786 -5.729 16.517 1.00 5.24 H new ATOM 1278 N GLY A 102 -9.799 -6.053 17.719 1.00 2.31 N ATOM 1279 CA GLY A 102 -10.969 -6.911 17.713 1.00 23.30 C ATOM 1280 C GLY A 102 -10.633 -8.352 18.045 1.00 44.40 C ATOM 1281 O GLY A 102 -9.501 -8.662 18.417 1.00 41.03 O ATOM 0 H GLY A 102 -9.770 -5.374 18.480 1.00 2.31 H new ATOM 0 HA2 GLY A 102 -11.695 -6.535 18.434 1.00 23.30 H new ATOM 0 HA3 GLY A 102 -11.442 -6.868 16.732 1.00 23.30 H new