USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=13 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 Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 55:sc= 0.146 USER MOD Single : A 17 THR OG1 : rot -170:sc= 0.0387 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 21 TYR OH : rot -40:sc= 1.22 USER MOD Single : A 23 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.89) USER MOD Single : A 26 MET CE :methyl -158:sc= -0.81 (180deg=-1.22) USER MOD Single : A 35 THR OG1 : rot 150:sc= -4.11! USER MOD Single : A 48 GLN : amide:sc= -0.0216 K(o=-0.022,f=-0.56) USER MOD Single : A 54 THR OG1 : rot 45:sc= 0.283 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 -24:sc= -3.71! USER MOD Single : A 74 THR OG1 : rot -41:sc= -5.03! USER MOD Single : A 79 THR OG1 : rot 14:sc= 1.14 USER MOD Single : A 84 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.26) USER MOD Single : A 94 THR OG1 : rot 24:sc= 0.115 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 1.075 -0.379 -0.481 1.00 23.50 N ATOM 2 CA ASP A 11 1.784 -0.428 -1.754 1.00 64.43 C ATOM 3 C ASP A 11 1.673 -1.813 -2.385 1.00 44.23 C ATOM 4 O ASP A 11 1.606 -1.946 -3.608 1.00 5.54 O ATOM 5 CB ASP A 11 3.256 -0.061 -1.557 1.00 51.55 C ATOM 6 CG ASP A 11 4.099 -0.373 -2.778 1.00 21.52 C ATOM 7 OD1 ASP A 11 3.932 0.315 -3.806 1.00 61.42 O ATOM 8 OD2 ASP A 11 4.926 -1.307 -2.705 1.00 34.22 O ATOM 0 HA ASP A 11 1.324 0.296 -2.426 1.00 64.43 H new ATOM 0 HB2 ASP A 11 3.335 1.001 -1.327 1.00 51.55 H new ATOM 0 HB3 ASP A 11 3.651 -0.604 -0.698 1.00 51.55 H new ATOM 13 N TYR A 12 1.655 -2.841 -1.544 1.00 44.23 N ATOM 14 CA TYR A 12 1.556 -4.216 -2.020 1.00 2.44 C ATOM 15 C TYR A 12 0.191 -4.477 -2.649 1.00 22.44 C ATOM 16 O TYR A 12 0.035 -5.385 -3.465 1.00 63.34 O ATOM 17 CB TYR A 12 1.796 -5.194 -0.869 1.00 11.05 C ATOM 18 CG TYR A 12 3.149 -5.037 -0.212 1.00 13.43 C ATOM 19 CD1 TYR A 12 4.306 -5.469 -0.848 1.00 10.21 C ATOM 20 CD2 TYR A 12 3.270 -4.457 1.045 1.00 53.30 C ATOM 21 CE1 TYR A 12 5.544 -5.328 -0.252 1.00 1.25 C ATOM 22 CE2 TYR A 12 4.504 -4.310 1.648 1.00 33.32 C ATOM 23 CZ TYR A 12 5.638 -4.747 0.996 1.00 32.52 C ATOM 24 OH TYR A 12 6.869 -4.605 1.594 1.00 12.34 O ATOM 0 H TYR A 12 1.708 -2.748 -0.530 1.00 44.23 H new ATOM 0 HA TYR A 12 2.321 -4.367 -2.781 1.00 2.44 H new ATOM 0 HB2 TYR A 12 1.019 -5.055 -0.118 1.00 11.05 H new ATOM 0 HB3 TYR A 12 1.699 -6.213 -1.243 1.00 11.05 H new ATOM 0 HD1 TYR A 12 4.236 -5.923 -1.825 1.00 10.21 H new ATOM 0 HD2 TYR A 12 2.384 -4.115 1.559 1.00 53.30 H new ATOM 0 HE1 TYR A 12 6.433 -5.671 -0.760 1.00 1.25 H new ATOM 0 HE2 TYR A 12 4.580 -3.855 2.625 1.00 33.32 H new ATOM 0 HH TYR A 12 6.760 -4.177 2.469 1.00 12.34 H new ATOM 34 N ASP A 13 -0.794 -3.675 -2.262 1.00 54.02 N ATOM 35 CA ASP A 13 -2.147 -3.817 -2.788 1.00 70.15 C ATOM 36 C ASP A 13 -2.171 -3.584 -4.296 1.00 21.41 C ATOM 37 O ASP A 13 -1.150 -3.720 -4.971 1.00 3.42 O ATOM 38 CB ASP A 13 -3.093 -2.837 -2.094 1.00 12.35 C ATOM 39 CG ASP A 13 -4.346 -3.513 -1.571 1.00 43.42 C ATOM 40 OD1 ASP A 13 -4.218 -4.442 -0.747 1.00 52.11 O ATOM 41 OD2 ASP A 13 -5.454 -3.113 -1.987 1.00 45.23 O ATOM 0 H ASP A 13 -0.681 -2.920 -1.586 1.00 54.02 H new ATOM 0 HA ASP A 13 -2.482 -4.835 -2.590 1.00 70.15 H new ATOM 0 HB2 ASP A 13 -2.571 -2.357 -1.267 1.00 12.35 H new ATOM 0 HB3 ASP A 13 -3.374 -2.050 -2.794 1.00 12.35 H new ATOM 46 N ILE A 14 -3.342 -3.235 -4.817 1.00 72.31 N ATOM 47 CA ILE A 14 -3.498 -2.984 -6.244 1.00 73.13 C ATOM 48 C ILE A 14 -2.943 -1.616 -6.626 1.00 20.13 C ATOM 49 O ILE A 14 -2.764 -0.735 -5.785 1.00 12.31 O ATOM 50 CB ILE A 14 -4.976 -3.063 -6.672 1.00 22.24 C ATOM 51 CG1 ILE A 14 -5.843 -2.204 -5.749 1.00 42.22 C ATOM 52 CG2 ILE A 14 -5.453 -4.508 -6.662 1.00 53.31 C ATOM 53 CD1 ILE A 14 -7.270 -2.053 -6.228 1.00 64.04 C ATOM 0 H ILE A 14 -4.197 -3.120 -4.272 1.00 72.31 H new ATOM 0 HA ILE A 14 -2.936 -3.760 -6.763 1.00 73.13 H new ATOM 0 HB ILE A 14 -5.067 -2.677 -7.688 1.00 22.24 H new ATOM 0 HG12 ILE A 14 -5.848 -2.646 -4.753 1.00 42.22 H new ATOM 0 HG13 ILE A 14 -5.393 -1.216 -5.657 1.00 42.22 H new ATOM 0 HG21 ILE A 14 -6.499 -4.548 -6.966 1.00 53.31 H new ATOM 0 HG22 ILE A 14 -4.850 -5.095 -7.355 1.00 53.31 H new ATOM 0 HG23 ILE A 14 -5.352 -4.918 -5.657 1.00 53.31 H new ATOM 0 HD11 ILE A 14 -7.826 -1.432 -5.525 1.00 64.04 H new ATOM 0 HD12 ILE A 14 -7.276 -1.583 -7.211 1.00 64.04 H new ATOM 0 HD13 ILE A 14 -7.738 -3.035 -6.293 1.00 64.04 H new ATOM 65 N PRO A 15 -2.665 -1.432 -7.925 1.00 4.22 N ATOM 66 CA PRO A 15 -2.128 -0.172 -8.448 1.00 62.24 C ATOM 67 C PRO A 15 -3.152 0.956 -8.407 1.00 55.31 C ATOM 68 O PRO A 15 -2.850 2.098 -8.756 1.00 65.11 O ATOM 69 CB PRO A 15 -1.768 -0.515 -9.896 1.00 44.42 C ATOM 70 CG PRO A 15 -2.662 -1.652 -10.250 1.00 60.31 C ATOM 71 CD PRO A 15 -2.853 -2.439 -8.983 1.00 0.33 C ATOM 0 HA PRO A 15 -1.285 0.188 -7.858 1.00 62.24 H new ATOM 0 HB2 PRO A 15 -1.930 0.337 -10.557 1.00 44.42 H new ATOM 0 HB3 PRO A 15 -0.718 -0.794 -9.987 1.00 44.42 H new ATOM 0 HG2 PRO A 15 -3.617 -1.293 -10.634 1.00 60.31 H new ATOM 0 HG3 PRO A 15 -2.217 -2.270 -11.030 1.00 60.31 H new ATOM 0 HD2 PRO A 15 -3.844 -2.891 -8.936 1.00 0.33 H new ATOM 0 HD3 PRO A 15 -2.129 -3.249 -8.900 1.00 0.33 H new ATOM 79 N THR A 16 -4.368 0.631 -7.978 1.00 21.33 N ATOM 80 CA THR A 16 -5.438 1.617 -7.891 1.00 64.33 C ATOM 81 C THR A 16 -6.388 1.298 -6.742 1.00 45.24 C ATOM 82 O THR A 16 -7.466 0.741 -6.950 1.00 60.03 O ATOM 83 CB THR A 16 -6.242 1.689 -9.203 1.00 33.22 C ATOM 84 OG1 THR A 16 -6.582 0.369 -9.642 1.00 70.03 O ATOM 85 CG2 THR A 16 -5.448 2.401 -10.287 1.00 24.01 C ATOM 0 H THR A 16 -4.636 -0.309 -7.685 1.00 21.33 H new ATOM 0 HA THR A 16 -4.965 2.582 -7.709 1.00 64.33 H new ATOM 0 HB THR A 16 -7.154 2.255 -9.013 1.00 33.22 H new ATOM 0 HG1 THR A 16 -7.054 -0.103 -8.924 1.00 70.03 H new ATOM 0 HG21 THR A 16 -6.037 2.439 -11.204 1.00 24.01 H new ATOM 0 HG22 THR A 16 -5.217 3.415 -9.962 1.00 24.01 H new ATOM 0 HG23 THR A 16 -4.521 1.860 -10.474 1.00 24.01 H new ATOM 93 N THR A 17 -5.981 1.656 -5.528 1.00 72.21 N ATOM 94 CA THR A 17 -6.796 1.408 -4.346 1.00 31.44 C ATOM 95 C THR A 17 -7.564 2.659 -3.935 1.00 31.34 C ATOM 96 O THR A 17 -7.655 3.620 -4.697 1.00 70.02 O ATOM 97 CB THR A 17 -5.935 0.935 -3.159 1.00 71.31 C ATOM 98 OG1 THR A 17 -4.546 1.070 -3.477 1.00 44.34 O ATOM 99 CG2 THR A 17 -6.242 -0.514 -2.812 1.00 22.25 C ATOM 0 H THR A 17 -5.092 2.119 -5.338 1.00 72.21 H new ATOM 0 HA THR A 17 -7.503 0.621 -4.609 1.00 31.44 H new ATOM 0 HB THR A 17 -6.172 1.557 -2.296 1.00 71.31 H new ATOM 0 HG1 THR A 17 -4.008 0.625 -2.789 1.00 44.34 H new ATOM 0 HG21 THR A 17 -5.622 -0.826 -1.971 1.00 22.25 H new ATOM 0 HG22 THR A 17 -7.294 -0.609 -2.542 1.00 22.25 H new ATOM 0 HG23 THR A 17 -6.030 -1.147 -3.674 1.00 22.25 H new ATOM 107 N GLU A 18 -8.114 2.639 -2.725 1.00 13.04 N ATOM 108 CA GLU A 18 -8.875 3.773 -2.213 1.00 43.35 C ATOM 109 C GLU A 18 -7.943 4.856 -1.677 1.00 44.02 C ATOM 110 O GLU A 18 -7.377 5.637 -2.441 1.00 54.32 O ATOM 111 CB GLU A 18 -9.833 3.318 -1.111 1.00 11.11 C ATOM 112 CG GLU A 18 -10.651 4.449 -0.510 1.00 5.12 C ATOM 113 CD GLU A 18 -12.017 3.993 -0.035 1.00 43.33 C ATOM 114 OE1 GLU A 18 -12.623 3.133 -0.708 1.00 44.41 O ATOM 115 OE2 GLU A 18 -12.480 4.497 1.010 1.00 64.14 O ATOM 0 H GLU A 18 -8.047 1.851 -2.081 1.00 13.04 H new ATOM 0 HA GLU A 18 -9.454 4.191 -3.037 1.00 43.35 H new ATOM 0 HB2 GLU A 18 -10.511 2.567 -1.517 1.00 11.11 H new ATOM 0 HB3 GLU A 18 -9.260 2.835 -0.320 1.00 11.11 H new ATOM 0 HG2 GLU A 18 -10.105 4.882 0.328 1.00 5.12 H new ATOM 0 HG3 GLU A 18 -10.773 5.238 -1.252 1.00 5.12 H new ATOM 122 N ASN A 19 -7.788 4.895 -0.358 1.00 12.33 N ATOM 123 CA ASN A 19 -6.926 5.882 0.282 1.00 41.41 C ATOM 124 C ASN A 19 -5.579 5.269 0.654 1.00 75.11 C ATOM 125 O ASN A 19 -4.787 5.875 1.376 1.00 20.14 O ATOM 126 CB ASN A 19 -7.604 6.449 1.531 1.00 25.02 C ATOM 127 CG ASN A 19 -8.778 7.347 1.195 1.00 51.32 C ATOM 128 OD1 ASN A 19 -8.692 8.193 0.304 1.00 72.52 O ATOM 129 ND2 ASN A 19 -9.883 7.168 1.909 1.00 74.03 N ATOM 0 H ASN A 19 -8.248 4.254 0.289 1.00 12.33 H new ATOM 0 HA ASN A 19 -6.753 6.691 -0.428 1.00 41.41 H new ATOM 0 HB2 ASN A 19 -7.947 5.627 2.159 1.00 25.02 H new ATOM 0 HB3 ASN A 19 -6.874 7.012 2.113 1.00 25.02 H new ATOM 0 HD21 ASN A 19 -10.706 7.744 1.729 1.00 74.03 H new ATOM 0 HD22 ASN A 19 -9.909 6.455 2.638 1.00 74.03 H new ATOM 136 N LEU A 20 -5.327 4.064 0.155 1.00 21.35 N ATOM 137 CA LEU A 20 -4.076 3.367 0.434 1.00 2.33 C ATOM 138 C LEU A 20 -2.890 4.115 -0.168 1.00 75.20 C ATOM 139 O LEU A 20 -1.749 3.935 0.257 1.00 11.35 O ATOM 140 CB LEU A 20 -4.129 1.942 -0.118 1.00 65.12 C ATOM 141 CG LEU A 20 -3.640 0.839 0.822 1.00 40.13 C ATOM 142 CD1 LEU A 20 -4.470 0.817 2.096 1.00 74.25 C ATOM 143 CD2 LEU A 20 -3.689 -0.514 0.127 1.00 1.02 C ATOM 0 H LEU A 20 -5.972 3.549 -0.445 1.00 21.35 H new ATOM 0 HA LEU A 20 -3.945 3.326 1.515 1.00 2.33 H new ATOM 0 HB2 LEU A 20 -5.158 1.721 -0.400 1.00 65.12 H new ATOM 0 HB3 LEU A 20 -3.533 1.905 -1.030 1.00 65.12 H new ATOM 0 HG LEU A 20 -2.605 1.049 1.091 1.00 40.13 H new ATOM 0 HD11 LEU A 20 -4.108 0.026 2.753 1.00 74.25 H new ATOM 0 HD12 LEU A 20 -4.383 1.778 2.603 1.00 74.25 H new ATOM 0 HD13 LEU A 20 -5.515 0.631 1.846 1.00 74.25 H new ATOM 0 HD21 LEU A 20 -3.338 -1.287 0.810 1.00 1.02 H new ATOM 0 HD22 LEU A 20 -4.714 -0.733 -0.172 1.00 1.02 H new ATOM 0 HD23 LEU A 20 -3.050 -0.493 -0.756 1.00 1.02 H new ATOM 155 N TYR A 21 -3.169 4.955 -1.159 1.00 31.42 N ATOM 156 CA TYR A 21 -2.126 5.730 -1.820 1.00 20.31 C ATOM 157 C TYR A 21 -1.813 7.001 -1.037 1.00 22.02 C ATOM 158 O TYR A 21 -1.053 7.855 -1.495 1.00 32.04 O ATOM 159 CB TYR A 21 -2.552 6.087 -3.245 1.00 15.03 C ATOM 160 CG TYR A 21 -3.589 7.186 -3.309 1.00 33.32 C ATOM 161 CD1 TYR A 21 -3.213 8.523 -3.309 1.00 13.40 C ATOM 162 CD2 TYR A 21 -4.945 6.886 -3.368 1.00 43.43 C ATOM 163 CE1 TYR A 21 -4.157 9.531 -3.367 1.00 20.33 C ATOM 164 CE2 TYR A 21 -5.895 7.887 -3.428 1.00 12.02 C ATOM 165 CZ TYR A 21 -5.497 9.207 -3.427 1.00 5.45 C ATOM 166 OH TYR A 21 -6.440 10.207 -3.484 1.00 54.12 O ATOM 0 H TYR A 21 -4.109 5.116 -1.522 1.00 31.42 H new ATOM 0 HA TYR A 21 -1.225 5.118 -1.860 1.00 20.31 H new ATOM 0 HB2 TYR A 21 -1.673 6.395 -3.812 1.00 15.03 H new ATOM 0 HB3 TYR A 21 -2.949 5.196 -3.731 1.00 15.03 H new ATOM 0 HD1 TYR A 21 -2.165 8.780 -3.263 1.00 13.40 H new ATOM 0 HD2 TYR A 21 -5.261 5.853 -3.367 1.00 43.43 H new ATOM 0 HE1 TYR A 21 -3.848 10.566 -3.365 1.00 20.33 H new ATOM 0 HE2 TYR A 21 -6.945 7.637 -3.475 1.00 12.02 H new ATOM 0 HH TYR A 21 -6.176 10.940 -2.889 1.00 54.12 H new ATOM 176 N PHE A 22 -2.404 7.119 0.148 1.00 44.03 N ATOM 177 CA PHE A 22 -2.189 8.286 0.996 1.00 31.51 C ATOM 178 C PHE A 22 -1.342 7.925 2.213 1.00 63.33 C ATOM 179 O PHE A 22 -0.446 8.674 2.602 1.00 60.35 O ATOM 180 CB PHE A 22 -3.530 8.867 1.449 1.00 71.22 C ATOM 181 CG PHE A 22 -4.028 9.980 0.572 1.00 64.13 C ATOM 182 CD1 PHE A 22 -3.224 11.074 0.295 1.00 23.11 C ATOM 183 CD2 PHE A 22 -5.300 9.932 0.024 1.00 4.52 C ATOM 184 CE1 PHE A 22 -3.678 12.100 -0.512 1.00 74.10 C ATOM 185 CE2 PHE A 22 -5.759 10.955 -0.784 1.00 15.01 C ATOM 186 CZ PHE A 22 -4.948 12.041 -1.051 1.00 74.43 C ATOM 0 H PHE A 22 -3.035 6.421 0.542 1.00 44.03 H new ATOM 0 HA PHE A 22 -1.654 9.035 0.412 1.00 31.51 H new ATOM 0 HB2 PHE A 22 -4.274 8.070 1.469 1.00 71.22 H new ATOM 0 HB3 PHE A 22 -3.431 9.236 2.470 1.00 71.22 H new ATOM 0 HD1 PHE A 22 -2.230 11.126 0.715 1.00 23.11 H new ATOM 0 HD2 PHE A 22 -5.939 9.086 0.231 1.00 4.52 H new ATOM 0 HE1 PHE A 22 -3.041 12.946 -0.721 1.00 74.10 H new ATOM 0 HE2 PHE A 22 -6.752 10.905 -1.207 1.00 15.01 H new ATOM 0 HZ PHE A 22 -5.307 12.842 -1.680 1.00 74.43 H new ATOM 196 N GLN A 23 -1.633 6.773 2.808 1.00 23.25 N ATOM 197 CA GLN A 23 -0.899 6.313 3.981 1.00 4.25 C ATOM 198 C GLN A 23 0.550 5.995 3.627 1.00 43.41 C ATOM 199 O GLN A 23 1.475 6.402 4.329 1.00 21.41 O ATOM 200 CB GLN A 23 -1.573 5.077 4.579 1.00 22.11 C ATOM 201 CG GLN A 23 -2.992 5.331 5.060 1.00 75.33 C ATOM 202 CD GLN A 23 -3.163 6.705 5.677 1.00 22.30 C ATOM 203 OE1 GLN A 23 -3.429 7.683 4.978 1.00 11.25 O ATOM 204 NE2 GLN A 23 -3.010 6.786 6.994 1.00 60.44 N ATOM 0 H GLN A 23 -2.371 6.141 2.498 1.00 23.25 H new ATOM 0 HA GLN A 23 -0.906 7.115 4.719 1.00 4.25 H new ATOM 0 HB2 GLN A 23 -1.588 4.284 3.831 1.00 22.11 H new ATOM 0 HB3 GLN A 23 -0.974 4.715 5.415 1.00 22.11 H new ATOM 0 HG2 GLN A 23 -3.680 5.226 4.221 1.00 75.33 H new ATOM 0 HG3 GLN A 23 -3.264 4.572 5.793 1.00 75.33 H new ATOM 0 HE21 GLN A 23 -2.790 5.949 7.534 1.00 60.44 H new ATOM 0 HE22 GLN A 23 -3.113 7.685 7.465 1.00 60.44 H new ATOM 213 N GLY A 24 0.740 5.265 2.532 1.00 42.52 N ATOM 214 CA GLY A 24 2.079 4.905 2.104 1.00 41.15 C ATOM 215 C GLY A 24 3.046 6.069 2.183 1.00 4.42 C ATOM 216 O GLY A 24 4.245 5.877 2.385 1.00 70.44 O ATOM 0 H GLY A 24 -0.009 4.917 1.934 1.00 42.52 H new ATOM 0 HA2 GLY A 24 2.448 4.088 2.724 1.00 41.15 H new ATOM 0 HA3 GLY A 24 2.042 4.536 1.079 1.00 41.15 H new ATOM 220 N ALA A 25 2.525 7.282 2.023 1.00 24.51 N ATOM 221 CA ALA A 25 3.351 8.481 2.078 1.00 2.44 C ATOM 222 C ALA A 25 4.209 8.500 3.339 1.00 62.31 C ATOM 223 O ALA A 25 5.436 8.557 3.265 1.00 42.11 O ATOM 224 CB ALA A 25 2.479 9.726 2.013 1.00 14.14 C ATOM 0 H ALA A 25 1.535 7.459 1.854 1.00 24.51 H new ATOM 0 HA ALA A 25 4.018 8.472 1.216 1.00 2.44 H new ATOM 0 HB1 ALA A 25 3.109 10.614 2.055 1.00 14.14 H new ATOM 0 HB2 ALA A 25 1.914 9.726 1.081 1.00 14.14 H new ATOM 0 HB3 ALA A 25 1.788 9.731 2.856 1.00 14.14 H new ATOM 230 N MET A 26 3.555 8.451 4.495 1.00 43.41 N ATOM 231 CA MET A 26 4.260 8.462 5.772 1.00 54.01 C ATOM 232 C MET A 26 4.986 7.141 6.003 1.00 32.32 C ATOM 233 O MET A 26 5.784 7.015 6.931 1.00 32.35 O ATOM 234 CB MET A 26 3.280 8.726 6.917 1.00 51.22 C ATOM 235 CG MET A 26 2.288 7.596 7.141 1.00 41.21 C ATOM 236 SD MET A 26 0.583 8.099 6.839 1.00 31.34 S ATOM 237 CE MET A 26 0.375 9.361 8.093 1.00 43.43 C ATOM 0 H MET A 26 2.539 8.403 4.574 1.00 43.41 H new ATOM 0 HA MET A 26 4.999 9.262 5.744 1.00 54.01 H new ATOM 0 HB2 MET A 26 3.843 8.891 7.835 1.00 51.22 H new ATOM 0 HB3 MET A 26 2.731 9.645 6.710 1.00 51.22 H new ATOM 0 HG2 MET A 26 2.538 6.762 6.485 1.00 41.21 H new ATOM 0 HG3 MET A 26 2.380 7.234 8.165 1.00 41.21 H new ATOM 0 HE1 MET A 26 -0.686 9.492 8.305 1.00 43.43 H new ATOM 0 HE2 MET A 26 0.893 9.058 9.003 1.00 43.43 H new ATOM 0 HE3 MET A 26 0.792 10.302 7.735 1.00 43.43 H new ATOM 247 N ALA A 27 4.703 6.159 5.153 1.00 24.34 N ATOM 248 CA ALA A 27 5.331 4.848 5.265 1.00 61.12 C ATOM 249 C ALA A 27 6.715 4.846 4.624 1.00 72.42 C ATOM 250 O ALA A 27 7.530 3.962 4.887 1.00 64.41 O ATOM 251 CB ALA A 27 4.450 3.785 4.626 1.00 32.34 C ATOM 0 H ALA A 27 4.043 6.246 4.380 1.00 24.34 H new ATOM 0 HA ALA A 27 5.449 4.618 6.324 1.00 61.12 H new ATOM 0 HB1 ALA A 27 4.931 2.811 4.717 1.00 32.34 H new ATOM 0 HB2 ALA A 27 3.484 3.761 5.131 1.00 32.34 H new ATOM 0 HB3 ALA A 27 4.303 4.020 3.572 1.00 32.34 H new ATOM 257 N PHE A 28 6.973 5.840 3.781 1.00 71.01 N ATOM 258 CA PHE A 28 8.258 5.951 3.101 1.00 50.43 C ATOM 259 C PHE A 28 9.317 6.537 4.030 1.00 15.35 C ATOM 260 O PHE A 28 10.446 6.798 3.616 1.00 23.14 O ATOM 261 CB PHE A 28 8.123 6.822 1.850 1.00 41.41 C ATOM 262 CG PHE A 28 6.967 6.436 0.972 1.00 12.55 C ATOM 263 CD1 PHE A 28 6.561 5.115 0.880 1.00 64.32 C ATOM 264 CD2 PHE A 28 6.285 7.395 0.241 1.00 51.31 C ATOM 265 CE1 PHE A 28 5.498 4.757 0.072 1.00 22.15 C ATOM 266 CE2 PHE A 28 5.221 7.043 -0.568 1.00 14.51 C ATOM 267 CZ PHE A 28 4.826 5.723 -0.651 1.00 62.42 C ATOM 0 H PHE A 28 6.309 6.580 3.552 1.00 71.01 H new ATOM 0 HA PHE A 28 8.572 4.950 2.807 1.00 50.43 H new ATOM 0 HB2 PHE A 28 8.007 7.863 2.153 1.00 41.41 H new ATOM 0 HB3 PHE A 28 9.045 6.759 1.272 1.00 41.41 H new ATOM 0 HD1 PHE A 28 7.081 4.356 1.446 1.00 64.32 H new ATOM 0 HD2 PHE A 28 6.588 8.430 0.304 1.00 51.31 H new ATOM 0 HE1 PHE A 28 5.193 3.723 0.006 1.00 22.15 H new ATOM 0 HE2 PHE A 28 4.699 7.800 -1.135 1.00 14.51 H new ATOM 0 HZ PHE A 28 3.993 5.446 -1.280 1.00 62.42 H new ATOM 277 N ASP A 29 8.942 6.742 5.288 1.00 1.34 N ATOM 278 CA ASP A 29 9.858 7.297 6.278 1.00 22.02 C ATOM 279 C ASP A 29 10.898 6.262 6.696 1.00 3.20 C ATOM 280 O ASP A 29 12.019 6.254 6.189 1.00 61.21 O ATOM 281 CB ASP A 29 9.084 7.784 7.504 1.00 4.31 C ATOM 282 CG ASP A 29 8.514 9.176 7.313 1.00 1.02 C ATOM 283 OD1 ASP A 29 8.852 9.822 6.299 1.00 5.34 O ATOM 284 OD2 ASP A 29 7.729 9.619 8.177 1.00 32.52 O ATOM 0 H ASP A 29 8.010 6.532 5.646 1.00 1.34 H new ATOM 0 HA ASP A 29 10.375 8.143 5.825 1.00 22.02 H new ATOM 0 HB2 ASP A 29 8.273 7.088 7.718 1.00 4.31 H new ATOM 0 HB3 ASP A 29 9.744 7.780 8.372 1.00 4.31 H new ATOM 289 N GLY A 30 10.519 5.391 7.626 1.00 75.43 N ATOM 290 CA GLY A 30 11.430 4.364 8.097 1.00 0.40 C ATOM 291 C GLY A 30 10.707 3.198 8.740 1.00 20.32 C ATOM 292 O GLY A 30 11.327 2.360 9.394 1.00 62.21 O ATOM 0 H GLY A 30 9.597 5.378 8.062 1.00 75.43 H new ATOM 0 HA2 GLY A 30 12.027 4.001 7.260 1.00 0.40 H new ATOM 0 HA3 GLY A 30 12.123 4.800 8.817 1.00 0.40 H new ATOM 296 N GLU A 31 9.392 3.144 8.556 1.00 54.32 N ATOM 297 CA GLU A 31 8.584 2.072 9.126 1.00 51.41 C ATOM 298 C GLU A 31 8.932 0.731 8.488 1.00 72.43 C ATOM 299 O GLU A 31 9.636 0.675 7.479 1.00 33.22 O ATOM 300 CB GLU A 31 7.095 2.369 8.936 1.00 51.23 C ATOM 301 CG GLU A 31 6.671 2.446 7.479 1.00 72.54 C ATOM 302 CD GLU A 31 6.388 1.081 6.881 1.00 63.20 C ATOM 303 OE1 GLU A 31 5.263 0.572 7.067 1.00 1.40 O ATOM 304 OE2 GLU A 31 7.293 0.521 6.227 1.00 43.53 O ATOM 0 H GLU A 31 8.863 3.830 8.017 1.00 54.32 H new ATOM 0 HA GLU A 31 8.802 2.015 10.192 1.00 51.41 H new ATOM 0 HB2 GLU A 31 6.512 1.595 9.435 1.00 51.23 H new ATOM 0 HB3 GLU A 31 6.856 3.313 9.426 1.00 51.23 H new ATOM 0 HG2 GLU A 31 5.779 3.067 7.396 1.00 72.54 H new ATOM 0 HG3 GLU A 31 7.455 2.936 6.902 1.00 72.54 H new ATOM 311 N ASP A 32 8.434 -0.348 9.083 1.00 2.41 N ATOM 312 CA ASP A 32 8.691 -1.690 8.574 1.00 42.44 C ATOM 313 C ASP A 32 7.413 -2.317 8.025 1.00 2.24 C ATOM 314 O ASP A 32 6.531 -1.617 7.529 1.00 63.02 O ATOM 315 CB ASP A 32 9.276 -2.574 9.676 1.00 14.34 C ATOM 316 CG ASP A 32 10.542 -1.993 10.274 1.00 41.21 C ATOM 317 OD1 ASP A 32 10.910 -0.859 9.899 1.00 33.41 O ATOM 318 OD2 ASP A 32 11.165 -2.671 11.117 1.00 61.11 O ATOM 0 H ASP A 32 7.850 -0.319 9.919 1.00 2.41 H new ATOM 0 HA ASP A 32 9.413 -1.611 7.762 1.00 42.44 H new ATOM 0 HB2 ASP A 32 8.534 -2.707 10.463 1.00 14.34 H new ATOM 0 HB3 ASP A 32 9.490 -3.562 9.269 1.00 14.34 H new ATOM 323 N GLU A 33 7.322 -3.640 8.119 1.00 40.24 N ATOM 324 CA GLU A 33 6.152 -4.360 7.630 1.00 64.51 C ATOM 325 C GLU A 33 5.460 -5.109 8.766 1.00 45.42 C ATOM 326 O GLU A 33 5.990 -5.207 9.873 1.00 41.22 O ATOM 327 CB GLU A 33 6.555 -5.343 6.528 1.00 12.01 C ATOM 328 CG GLU A 33 7.681 -6.280 6.930 1.00 61.31 C ATOM 329 CD GLU A 33 8.206 -7.095 5.764 1.00 43.23 C ATOM 330 OE1 GLU A 33 8.862 -6.507 4.878 1.00 70.10 O ATOM 331 OE2 GLU A 33 7.962 -8.319 5.736 1.00 11.05 O ATOM 0 H GLU A 33 8.043 -4.234 8.529 1.00 40.24 H new ATOM 0 HA GLU A 33 5.453 -3.631 7.220 1.00 64.51 H new ATOM 0 HB2 GLU A 33 5.685 -5.935 6.245 1.00 12.01 H new ATOM 0 HB3 GLU A 33 6.859 -4.781 5.645 1.00 12.01 H new ATOM 0 HG2 GLU A 33 8.497 -5.698 7.359 1.00 61.31 H new ATOM 0 HG3 GLU A 33 7.327 -6.954 7.710 1.00 61.31 H new ATOM 338 N VAL A 34 4.273 -5.634 8.483 1.00 33.42 N ATOM 339 CA VAL A 34 3.507 -6.374 9.480 1.00 65.24 C ATOM 340 C VAL A 34 3.282 -7.816 9.040 1.00 72.33 C ATOM 341 O VAL A 34 3.548 -8.177 7.893 1.00 40.24 O ATOM 342 CB VAL A 34 2.143 -5.711 9.746 1.00 42.33 C ATOM 343 CG1 VAL A 34 1.474 -6.334 10.961 1.00 72.52 C ATOM 344 CG2 VAL A 34 2.308 -4.210 9.930 1.00 41.45 C ATOM 0 H VAL A 34 3.820 -5.561 7.572 1.00 33.42 H new ATOM 0 HA VAL A 34 4.092 -6.365 10.400 1.00 65.24 H new ATOM 0 HB VAL A 34 1.501 -5.880 8.881 1.00 42.33 H new ATOM 0 HG11 VAL A 34 0.511 -5.852 11.133 1.00 72.52 H new ATOM 0 HG12 VAL A 34 1.321 -7.399 10.786 1.00 72.52 H new ATOM 0 HG13 VAL A 34 2.109 -6.198 11.836 1.00 72.52 H new ATOM 0 HG21 VAL A 34 1.334 -3.757 10.117 1.00 41.45 H new ATOM 0 HG22 VAL A 34 2.967 -4.017 10.777 1.00 41.45 H new ATOM 0 HG23 VAL A 34 2.742 -3.778 9.028 1.00 41.45 H new ATOM 354 N THR A 35 2.788 -8.640 9.960 1.00 41.44 N ATOM 355 CA THR A 35 2.527 -10.043 9.668 1.00 74.34 C ATOM 356 C THR A 35 1.104 -10.243 9.158 1.00 60.14 C ATOM 357 O THR A 35 0.871 -11.006 8.221 1.00 44.43 O ATOM 358 CB THR A 35 2.743 -10.926 10.912 1.00 55.53 C ATOM 359 OG1 THR A 35 1.785 -10.590 11.922 1.00 31.31 O ATOM 360 CG2 THR A 35 4.150 -10.750 11.462 1.00 60.34 C ATOM 0 H THR A 35 2.561 -8.359 10.914 1.00 41.44 H new ATOM 0 HA THR A 35 3.233 -10.341 8.893 1.00 74.34 H new ATOM 0 HB THR A 35 2.612 -11.968 10.619 1.00 55.53 H new ATOM 0 HG1 THR A 35 1.587 -11.383 12.462 1.00 31.31 H new ATOM 0 HG21 THR A 35 4.279 -11.383 12.340 1.00 60.34 H new ATOM 0 HG22 THR A 35 4.876 -11.033 10.700 1.00 60.34 H new ATOM 0 HG23 THR A 35 4.304 -9.708 11.741 1.00 60.34 H new ATOM 368 N GLY A 36 0.154 -9.552 9.781 1.00 42.24 N ATOM 369 CA GLY A 36 -1.234 -9.667 9.375 1.00 74.22 C ATOM 370 C GLY A 36 -2.193 -9.171 10.439 1.00 4.13 C ATOM 371 O GLY A 36 -2.947 -8.220 10.231 1.00 22.25 O ATOM 0 H GLY A 36 0.321 -8.915 10.560 1.00 42.24 H new ATOM 0 HA2 GLY A 36 -1.389 -9.099 8.458 1.00 74.22 H new ATOM 0 HA3 GLY A 36 -1.457 -10.709 9.147 1.00 74.22 H new ATOM 375 N PRO A 37 -2.172 -9.824 11.611 1.00 61.13 N ATOM 376 CA PRO A 37 -3.040 -9.462 12.735 1.00 54.34 C ATOM 377 C PRO A 37 -2.652 -8.127 13.360 1.00 1.44 C ATOM 378 O PRO A 37 -1.511 -7.680 13.236 1.00 72.50 O ATOM 379 CB PRO A 37 -2.825 -10.603 13.732 1.00 43.31 C ATOM 380 CG PRO A 37 -1.470 -11.134 13.413 1.00 42.42 C ATOM 381 CD PRO A 37 -1.299 -10.966 11.928 1.00 24.43 C ATOM 0 HA PRO A 37 -4.078 -9.339 12.425 1.00 54.34 H new ATOM 0 HB2 PRO A 37 -2.878 -10.246 14.760 1.00 43.31 H new ATOM 0 HB3 PRO A 37 -3.588 -11.374 13.623 1.00 43.31 H new ATOM 0 HG2 PRO A 37 -0.699 -10.590 13.959 1.00 42.42 H new ATOM 0 HG3 PRO A 37 -1.384 -12.182 13.700 1.00 42.42 H new ATOM 0 HD2 PRO A 37 -0.261 -10.764 11.663 1.00 24.43 H new ATOM 0 HD3 PRO A 37 -1.598 -11.863 11.385 1.00 24.43 H new ATOM 389 N ASP A 38 -3.607 -7.494 14.033 1.00 4.14 N ATOM 390 CA ASP A 38 -3.363 -6.210 14.680 1.00 14.24 C ATOM 391 C ASP A 38 -2.305 -6.343 15.771 1.00 12.31 C ATOM 392 O ASP A 38 -1.608 -5.381 16.094 1.00 73.10 O ATOM 393 CB ASP A 38 -4.661 -5.661 15.276 1.00 41.44 C ATOM 394 CG ASP A 38 -5.877 -6.020 14.444 1.00 22.14 C ATOM 395 OD1 ASP A 38 -5.746 -6.100 13.205 1.00 51.22 O ATOM 396 OD2 ASP A 38 -6.959 -6.223 15.034 1.00 42.24 O ATOM 0 H ASP A 38 -4.557 -7.849 14.145 1.00 4.14 H new ATOM 0 HA ASP A 38 -2.995 -5.515 13.925 1.00 14.24 H new ATOM 0 HB2 ASP A 38 -4.787 -6.051 16.286 1.00 41.44 H new ATOM 0 HB3 ASP A 38 -4.589 -4.577 15.360 1.00 41.44 H new ATOM 401 N ALA A 39 -2.192 -7.540 16.336 1.00 62.43 N ATOM 402 CA ALA A 39 -1.218 -7.799 17.389 1.00 33.23 C ATOM 403 C ALA A 39 0.199 -7.504 16.912 1.00 43.34 C ATOM 404 O ALA A 39 1.036 -7.025 17.678 1.00 55.32 O ATOM 405 CB ALA A 39 -1.327 -9.240 17.866 1.00 71.10 C ATOM 0 H ALA A 39 -2.763 -8.346 16.082 1.00 62.43 H new ATOM 0 HA ALA A 39 -1.438 -7.133 18.224 1.00 33.23 H new ATOM 0 HB1 ALA A 39 -0.594 -9.419 18.652 1.00 71.10 H new ATOM 0 HB2 ALA A 39 -2.329 -9.419 18.256 1.00 71.10 H new ATOM 0 HB3 ALA A 39 -1.137 -9.915 17.032 1.00 71.10 H new ATOM 411 N ASP A 40 0.463 -7.793 15.642 1.00 0.41 N ATOM 412 CA ASP A 40 1.780 -7.557 15.062 1.00 22.21 C ATOM 413 C ASP A 40 1.923 -6.108 14.609 1.00 3.42 C ATOM 414 O ASP A 40 2.998 -5.517 14.717 1.00 51.41 O ATOM 415 CB ASP A 40 2.016 -8.499 13.881 1.00 65.43 C ATOM 416 CG ASP A 40 2.914 -9.667 14.242 1.00 54.03 C ATOM 417 OD1 ASP A 40 4.143 -9.466 14.331 1.00 41.42 O ATOM 418 OD2 ASP A 40 2.386 -10.782 14.436 1.00 3.11 O ATOM 0 H ASP A 40 -0.218 -8.191 14.995 1.00 0.41 H new ATOM 0 HA ASP A 40 2.528 -7.754 15.830 1.00 22.21 H new ATOM 0 HB2 ASP A 40 1.058 -8.878 13.525 1.00 65.43 H new ATOM 0 HB3 ASP A 40 2.464 -7.941 13.059 1.00 65.43 H new ATOM 423 N ARG A 41 0.834 -5.541 14.101 1.00 35.34 N ATOM 424 CA ARG A 41 0.838 -4.162 13.630 1.00 44.32 C ATOM 425 C ARG A 41 0.952 -3.188 14.799 1.00 15.11 C ATOM 426 O ARG A 41 1.705 -2.217 14.740 1.00 12.50 O ATOM 427 CB ARG A 41 -0.432 -3.869 12.830 1.00 73.32 C ATOM 428 CG ARG A 41 -1.562 -3.295 13.669 1.00 22.01 C ATOM 429 CD ARG A 41 -2.838 -3.142 12.856 1.00 3.30 C ATOM 430 NE ARG A 41 -4.016 -3.007 13.708 1.00 55.25 N ATOM 431 CZ ARG A 41 -5.255 -3.246 13.291 1.00 10.03 C ATOM 432 NH1 ARG A 41 -5.475 -3.631 12.042 1.00 53.33 N ATOM 433 NH2 ARG A 41 -6.276 -3.101 14.126 1.00 74.02 N ATOM 0 H ARG A 41 -0.063 -6.016 14.005 1.00 35.34 H new ATOM 0 HA ARG A 41 1.705 -4.029 12.983 1.00 44.32 H new ATOM 0 HB2 ARG A 41 -0.193 -3.169 12.029 1.00 73.32 H new ATOM 0 HB3 ARG A 41 -0.774 -4.790 12.357 1.00 73.32 H new ATOM 0 HG2 ARG A 41 -1.749 -3.946 14.523 1.00 22.01 H new ATOM 0 HG3 ARG A 41 -1.264 -2.325 14.067 1.00 22.01 H new ATOM 0 HD2 ARG A 41 -2.755 -2.267 12.211 1.00 3.30 H new ATOM 0 HD3 ARG A 41 -2.959 -4.008 12.205 1.00 3.30 H new ATOM 0 HE ARG A 41 -3.881 -2.713 14.675 1.00 55.25 H new ATOM 0 HH11 ARG A 41 -4.692 -3.745 11.398 1.00 53.33 H new ATOM 0 HH12 ARG A 41 -6.427 -3.814 11.725 1.00 53.33 H new ATOM 0 HH21 ARG A 41 -6.110 -2.806 15.088 1.00 74.02 H new ATOM 0 HH22 ARG A 41 -7.227 -3.284 13.806 1.00 74.02 H new ATOM 447 N ALA A 42 0.197 -3.455 15.860 1.00 24.32 N ATOM 448 CA ALA A 42 0.214 -2.604 17.043 1.00 21.03 C ATOM 449 C ALA A 42 1.532 -2.739 17.799 1.00 71.55 C ATOM 450 O ALA A 42 2.028 -1.774 18.379 1.00 54.40 O ATOM 451 CB ALA A 42 -0.956 -2.944 17.955 1.00 51.25 C ATOM 0 H ALA A 42 -0.434 -4.254 15.924 1.00 24.32 H new ATOM 0 HA ALA A 42 0.117 -1.569 16.716 1.00 21.03 H new ATOM 0 HB1 ALA A 42 -0.931 -2.301 18.835 1.00 51.25 H new ATOM 0 HB2 ALA A 42 -1.892 -2.789 17.419 1.00 51.25 H new ATOM 0 HB3 ALA A 42 -0.884 -3.986 18.266 1.00 51.25 H new ATOM 457 N ARG A 43 2.094 -3.944 17.787 1.00 11.33 N ATOM 458 CA ARG A 43 3.353 -4.205 18.473 1.00 25.42 C ATOM 459 C ARG A 43 4.537 -3.724 17.639 1.00 70.11 C ATOM 460 O ARG A 43 5.488 -3.150 18.167 1.00 45.40 O ATOM 461 CB ARG A 43 3.498 -5.700 18.768 1.00 55.42 C ATOM 462 CG ARG A 43 4.048 -6.500 17.599 1.00 23.52 C ATOM 463 CD ARG A 43 4.019 -7.994 17.884 1.00 10.13 C ATOM 464 NE ARG A 43 5.228 -8.445 18.568 1.00 44.53 N ATOM 465 CZ ARG A 43 6.419 -8.519 17.982 1.00 34.55 C ATOM 466 NH1 ARG A 43 6.558 -8.175 16.710 1.00 41.12 N ATOM 467 NH2 ARG A 43 7.472 -8.939 18.671 1.00 64.32 N ATOM 0 H ARG A 43 1.697 -4.754 17.310 1.00 11.33 H new ATOM 0 HA ARG A 43 3.345 -3.655 19.414 1.00 25.42 H new ATOM 0 HB2 ARG A 43 4.155 -5.830 19.628 1.00 55.42 H new ATOM 0 HB3 ARG A 43 2.524 -6.103 19.047 1.00 55.42 H new ATOM 0 HG2 ARG A 43 3.463 -6.288 16.704 1.00 23.52 H new ATOM 0 HG3 ARG A 43 5.072 -6.188 17.392 1.00 23.52 H new ATOM 0 HD2 ARG A 43 3.148 -8.229 18.495 1.00 10.13 H new ATOM 0 HD3 ARG A 43 3.908 -8.540 16.947 1.00 10.13 H new ATOM 0 HE ARG A 43 5.155 -8.718 19.548 1.00 44.53 H new ATOM 0 HH11 ARG A 43 5.750 -7.852 16.178 1.00 41.12 H new ATOM 0 HH12 ARG A 43 7.473 -8.233 16.263 1.00 41.12 H new ATOM 0 HH21 ARG A 43 7.368 -9.205 19.650 1.00 64.32 H new ATOM 0 HH22 ARG A 43 8.386 -8.996 18.222 1.00 64.32 H new ATOM 481 N ALA A 44 4.470 -3.964 16.333 1.00 3.44 N ATOM 482 CA ALA A 44 5.535 -3.554 15.426 1.00 11.52 C ATOM 483 C ALA A 44 5.468 -2.057 15.143 1.00 44.34 C ATOM 484 O ALA A 44 6.395 -1.313 15.462 1.00 24.13 O ATOM 485 CB ALA A 44 5.455 -4.343 14.128 1.00 40.33 C ATOM 0 H ALA A 44 3.690 -4.440 15.880 1.00 3.44 H new ATOM 0 HA ALA A 44 6.490 -3.764 15.907 1.00 11.52 H new ATOM 0 HB1 ALA A 44 6.256 -4.027 13.460 1.00 40.33 H new ATOM 0 HB2 ALA A 44 5.560 -5.407 14.342 1.00 40.33 H new ATOM 0 HB3 ALA A 44 4.492 -4.162 13.651 1.00 40.33 H new ATOM 491 N ALA A 45 4.367 -1.622 14.540 1.00 14.41 N ATOM 492 CA ALA A 45 4.179 -0.213 14.215 1.00 62.21 C ATOM 493 C ALA A 45 4.392 0.667 15.442 1.00 32.41 C ATOM 494 O ALA A 45 4.680 1.857 15.322 1.00 64.23 O ATOM 495 CB ALA A 45 2.791 0.014 13.634 1.00 4.20 C ATOM 0 H ALA A 45 3.591 -2.225 14.266 1.00 14.41 H new ATOM 0 HA ALA A 45 4.923 0.065 13.468 1.00 62.21 H new ATOM 0 HB1 ALA A 45 2.664 1.070 13.396 1.00 4.20 H new ATOM 0 HB2 ALA A 45 2.675 -0.579 12.727 1.00 4.20 H new ATOM 0 HB3 ALA A 45 2.038 -0.286 14.363 1.00 4.20 H new ATOM 501 N ALA A 46 4.246 0.073 16.622 1.00 4.23 N ATOM 502 CA ALA A 46 4.424 0.803 17.871 1.00 11.14 C ATOM 503 C ALA A 46 5.775 1.509 17.908 1.00 63.43 C ATOM 504 O ALA A 46 5.848 2.736 17.852 1.00 52.31 O ATOM 505 CB ALA A 46 4.287 -0.140 19.058 1.00 55.33 C ATOM 0 H ALA A 46 4.005 -0.911 16.739 1.00 4.23 H new ATOM 0 HA ALA A 46 3.645 1.563 17.932 1.00 11.14 H new ATOM 0 HB1 ALA A 46 4.422 0.419 19.984 1.00 55.33 H new ATOM 0 HB2 ALA A 46 3.296 -0.594 19.050 1.00 55.33 H new ATOM 0 HB3 ALA A 46 5.044 -0.921 18.992 1.00 55.33 H new ATOM 511 N VAL A 47 6.845 0.725 18.002 1.00 33.33 N ATOM 512 CA VAL A 47 8.194 1.275 18.046 1.00 63.42 C ATOM 513 C VAL A 47 8.972 0.922 16.783 1.00 42.32 C ATOM 514 O VAL A 47 10.051 1.460 16.537 1.00 3.41 O ATOM 515 CB VAL A 47 8.970 0.761 19.273 1.00 2.43 C ATOM 516 CG1 VAL A 47 10.293 1.499 19.416 1.00 15.43 C ATOM 517 CG2 VAL A 47 8.130 0.907 20.533 1.00 21.01 C ATOM 0 H VAL A 47 6.803 -0.293 18.049 1.00 33.33 H new ATOM 0 HA VAL A 47 8.092 2.358 18.117 1.00 63.42 H new ATOM 0 HB VAL A 47 9.186 -0.297 19.128 1.00 2.43 H new ATOM 0 HG11 VAL A 47 10.827 1.122 20.288 1.00 15.43 H new ATOM 0 HG12 VAL A 47 10.897 1.339 18.523 1.00 15.43 H new ATOM 0 HG13 VAL A 47 10.103 2.565 19.539 1.00 15.43 H new ATOM 0 HG21 VAL A 47 8.693 0.539 21.391 1.00 21.01 H new ATOM 0 HG22 VAL A 47 7.882 1.957 20.685 1.00 21.01 H new ATOM 0 HG23 VAL A 47 7.212 0.329 20.427 1.00 21.01 H new ATOM 527 N GLN A 48 8.416 0.016 15.986 1.00 62.15 N ATOM 528 CA GLN A 48 9.059 -0.408 14.747 1.00 33.32 C ATOM 529 C GLN A 48 8.756 0.567 13.615 1.00 52.32 C ATOM 530 O GLN A 48 9.592 0.800 12.742 1.00 20.44 O ATOM 531 CB GLN A 48 8.595 -1.814 14.363 1.00 74.32 C ATOM 532 CG GLN A 48 9.614 -2.588 13.543 1.00 71.43 C ATOM 533 CD GLN A 48 10.318 -3.662 14.349 1.00 2.53 C ATOM 534 OE1 GLN A 48 10.497 -3.527 15.560 1.00 32.42 O ATOM 535 NE2 GLN A 48 10.723 -4.735 13.681 1.00 72.22 N ATOM 0 H GLN A 48 7.523 -0.439 16.175 1.00 62.15 H new ATOM 0 HA GLN A 48 10.136 -0.421 14.912 1.00 33.32 H new ATOM 0 HB2 GLN A 48 8.371 -2.374 15.271 1.00 74.32 H new ATOM 0 HB3 GLN A 48 7.667 -1.739 13.797 1.00 74.32 H new ATOM 0 HG2 GLN A 48 9.115 -3.048 12.690 1.00 71.43 H new ATOM 0 HG3 GLN A 48 10.354 -1.895 13.143 1.00 71.43 H new ATOM 0 HE21 GLN A 48 10.554 -4.805 12.678 1.00 72.22 H new ATOM 0 HE22 GLN A 48 11.204 -5.490 14.171 1.00 72.22 H new ATOM 544 N ALA A 49 7.554 1.135 13.635 1.00 5.32 N ATOM 545 CA ALA A 49 7.142 2.087 12.611 1.00 0.12 C ATOM 546 C ALA A 49 7.126 3.510 13.159 1.00 42.21 C ATOM 547 O ALA A 49 6.910 4.469 12.418 1.00 44.14 O ATOM 548 CB ALA A 49 5.772 1.714 12.065 1.00 14.34 C ATOM 0 H ALA A 49 6.849 0.952 14.349 1.00 5.32 H new ATOM 0 HA ALA A 49 7.868 2.047 11.799 1.00 0.12 H new ATOM 0 HB1 ALA A 49 5.477 2.433 11.301 1.00 14.34 H new ATOM 0 HB2 ALA A 49 5.814 0.717 11.627 1.00 14.34 H new ATOM 0 HB3 ALA A 49 5.042 1.724 12.875 1.00 14.34 H new ATOM 554 N VAL A 50 7.355 3.641 14.462 1.00 64.42 N ATOM 555 CA VAL A 50 7.368 4.947 15.109 1.00 52.12 C ATOM 556 C VAL A 50 8.779 5.521 15.161 1.00 23.14 C ATOM 557 O VAL A 50 8.991 6.682 15.510 1.00 3.44 O ATOM 558 CB VAL A 50 6.803 4.870 16.540 1.00 40.23 C ATOM 559 CG1 VAL A 50 7.921 4.632 17.543 1.00 1.32 C ATOM 560 CG2 VAL A 50 6.033 6.138 16.877 1.00 4.21 C ATOM 0 H VAL A 50 7.534 2.858 15.090 1.00 64.42 H new ATOM 0 HA VAL A 50 6.735 5.603 14.511 1.00 52.12 H new ATOM 0 HB VAL A 50 6.113 4.028 16.595 1.00 40.23 H new ATOM 0 HG11 VAL A 50 7.503 4.580 18.548 1.00 1.32 H new ATOM 0 HG12 VAL A 50 8.424 3.694 17.311 1.00 1.32 H new ATOM 0 HG13 VAL A 50 8.638 5.451 17.490 1.00 1.32 H new ATOM 0 HG21 VAL A 50 5.641 6.067 17.891 1.00 4.21 H new ATOM 0 HG22 VAL A 50 6.699 6.998 16.805 1.00 4.21 H new ATOM 0 HG23 VAL A 50 5.207 6.259 16.176 1.00 4.21 H new ATOM 570 N PRO A 51 9.770 4.689 14.806 1.00 13.14 N ATOM 571 CA PRO A 51 11.179 5.092 14.804 1.00 62.02 C ATOM 572 C PRO A 51 11.493 6.095 13.699 1.00 23.00 C ATOM 573 O PRO A 51 12.466 6.844 13.785 1.00 32.40 O ATOM 574 CB PRO A 51 11.924 3.777 14.560 1.00 74.14 C ATOM 575 CG PRO A 51 10.943 2.914 13.843 1.00 1.01 C ATOM 576 CD PRO A 51 9.590 3.291 14.380 1.00 51.35 C ATOM 0 HA PRO A 51 11.461 5.592 15.731 1.00 62.02 H new ATOM 0 HB2 PRO A 51 12.822 3.936 13.963 1.00 74.14 H new ATOM 0 HB3 PRO A 51 12.241 3.321 15.498 1.00 74.14 H new ATOM 0 HG2 PRO A 51 10.995 3.076 12.766 1.00 1.01 H new ATOM 0 HG3 PRO A 51 11.152 1.858 14.017 1.00 1.01 H new ATOM 0 HD2 PRO A 51 8.816 3.199 13.618 1.00 51.35 H new ATOM 0 HD3 PRO A 51 9.296 2.652 15.212 1.00 51.35 H new ATOM 584 N GLY A 52 10.663 6.105 12.661 1.00 73.32 N ATOM 585 CA GLY A 52 10.869 7.020 11.554 1.00 2.40 C ATOM 586 C GLY A 52 10.267 8.387 11.812 1.00 3.34 C ATOM 587 O GLY A 52 10.954 9.404 11.719 1.00 62.44 O ATOM 0 H GLY A 52 9.851 5.495 12.567 1.00 73.32 H new ATOM 0 HA2 GLY A 52 11.938 7.126 11.369 1.00 2.40 H new ATOM 0 HA3 GLY A 52 10.429 6.597 10.651 1.00 2.40 H new ATOM 591 N GLY A 53 8.978 8.413 12.138 1.00 62.04 N ATOM 592 CA GLY A 53 8.305 9.671 12.403 1.00 21.13 C ATOM 593 C GLY A 53 6.999 9.483 13.149 1.00 11.31 C ATOM 594 O GLY A 53 6.624 10.312 13.980 1.00 23.40 O ATOM 0 H GLY A 53 8.388 7.585 12.223 1.00 62.04 H new ATOM 0 HA2 GLY A 53 8.963 10.316 12.985 1.00 21.13 H new ATOM 0 HA3 GLY A 53 8.111 10.182 11.460 1.00 21.13 H new ATOM 598 N THR A 54 6.301 8.392 12.852 1.00 72.42 N ATOM 599 CA THR A 54 5.028 8.099 13.498 1.00 54.03 C ATOM 600 C THR A 54 4.810 6.596 13.630 1.00 64.05 C ATOM 601 O THR A 54 5.332 5.812 12.837 1.00 53.21 O ATOM 602 CB THR A 54 3.848 8.710 12.718 1.00 44.15 C ATOM 603 OG1 THR A 54 2.609 8.216 13.237 1.00 52.01 O ATOM 604 CG2 THR A 54 3.951 8.380 11.236 1.00 12.30 C ATOM 0 H THR A 54 6.596 7.696 12.167 1.00 72.42 H new ATOM 0 HA THR A 54 5.069 8.546 14.491 1.00 54.03 H new ATOM 0 HB THR A 54 3.884 9.793 12.837 1.00 44.15 H new ATOM 0 HG1 THR A 54 2.629 8.246 14.216 1.00 52.01 H new ATOM 0 HG21 THR A 54 3.107 8.822 10.705 1.00 12.30 H new ATOM 0 HG22 THR A 54 4.882 8.783 10.837 1.00 12.30 H new ATOM 0 HG23 THR A 54 3.938 7.298 11.102 1.00 12.30 H new ATOM 612 N ALA A 55 4.037 6.200 14.635 1.00 1.54 N ATOM 613 CA ALA A 55 3.749 4.791 14.869 1.00 71.21 C ATOM 614 C ALA A 55 2.793 4.244 13.814 1.00 62.20 C ATOM 615 O ALA A 55 1.610 4.037 14.082 1.00 64.44 O ATOM 616 CB ALA A 55 3.169 4.594 16.262 1.00 41.42 C ATOM 0 H ALA A 55 3.598 6.836 15.301 1.00 1.54 H new ATOM 0 HA ALA A 55 4.685 4.238 14.796 1.00 71.21 H new ATOM 0 HB1 ALA A 55 2.959 3.537 16.422 1.00 41.42 H new ATOM 0 HB2 ALA A 55 3.886 4.938 17.007 1.00 41.42 H new ATOM 0 HB3 ALA A 55 2.246 5.166 16.356 1.00 41.42 H new ATOM 622 N GLY A 56 3.314 4.012 12.613 1.00 43.42 N ATOM 623 CA GLY A 56 2.493 3.492 11.535 1.00 12.34 C ATOM 624 C GLY A 56 3.269 2.586 10.600 1.00 13.31 C ATOM 625 O GLY A 56 4.057 3.058 9.781 1.00 15.32 O ATOM 0 H GLY A 56 4.290 4.175 12.367 1.00 43.42 H new ATOM 0 HA2 GLY A 56 1.653 2.940 11.956 1.00 12.34 H new ATOM 0 HA3 GLY A 56 2.076 4.323 10.967 1.00 12.34 H new ATOM 629 N GLU A 57 3.047 1.281 10.723 1.00 12.43 N ATOM 630 CA GLU A 57 3.734 0.308 9.883 1.00 30.30 C ATOM 631 C GLU A 57 2.858 -0.108 8.704 1.00 5.32 C ATOM 632 O GLU A 57 1.811 0.488 8.454 1.00 13.41 O ATOM 633 CB GLU A 57 4.121 -0.924 10.704 1.00 63.22 C ATOM 634 CG GLU A 57 5.350 -1.645 10.176 1.00 24.14 C ATOM 635 CD GLU A 57 6.299 -2.065 11.282 1.00 64.40 C ATOM 636 OE1 GLU A 57 7.047 -1.200 11.784 1.00 33.30 O ATOM 637 OE2 GLU A 57 6.294 -3.260 11.645 1.00 30.51 O ATOM 0 H GLU A 57 2.397 0.874 11.396 1.00 12.43 H new ATOM 0 HA GLU A 57 4.638 0.776 9.494 1.00 30.30 H new ATOM 0 HB2 GLU A 57 4.303 -0.621 11.735 1.00 63.22 H new ATOM 0 HB3 GLU A 57 3.281 -1.619 10.719 1.00 63.22 H new ATOM 0 HG2 GLU A 57 5.037 -2.526 9.616 1.00 24.14 H new ATOM 0 HG3 GLU A 57 5.877 -0.994 9.478 1.00 24.14 H new ATOM 644 N VAL A 58 3.296 -1.134 7.982 1.00 24.42 N ATOM 645 CA VAL A 58 2.554 -1.631 6.830 1.00 54.20 C ATOM 646 C VAL A 58 2.355 -3.140 6.913 1.00 72.01 C ATOM 647 O VAL A 58 3.262 -3.875 7.301 1.00 4.53 O ATOM 648 CB VAL A 58 3.271 -1.290 5.510 1.00 23.34 C ATOM 649 CG1 VAL A 58 2.909 -2.298 4.430 1.00 3.00 C ATOM 650 CG2 VAL A 58 2.929 0.124 5.068 1.00 41.31 C ATOM 0 H VAL A 58 4.162 -1.638 8.175 1.00 24.42 H new ATOM 0 HA VAL A 58 1.582 -1.138 6.844 1.00 54.20 H new ATOM 0 HB VAL A 58 4.347 -1.343 5.677 1.00 23.34 H new ATOM 0 HG11 VAL A 58 3.425 -2.041 3.505 1.00 3.00 H new ATOM 0 HG12 VAL A 58 3.210 -3.296 4.748 1.00 3.00 H new ATOM 0 HG13 VAL A 58 1.832 -2.280 4.262 1.00 3.00 H new ATOM 0 HG21 VAL A 58 3.444 0.348 4.134 1.00 41.31 H new ATOM 0 HG22 VAL A 58 1.853 0.208 4.918 1.00 41.31 H new ATOM 0 HG23 VAL A 58 3.245 0.831 5.835 1.00 41.31 H new ATOM 660 N GLU A 59 1.161 -3.595 6.545 1.00 64.43 N ATOM 661 CA GLU A 59 0.844 -5.018 6.578 1.00 31.21 C ATOM 662 C GLU A 59 0.803 -5.600 5.168 1.00 43.12 C ATOM 663 O GLU A 59 0.123 -5.075 4.286 1.00 53.30 O ATOM 664 CB GLU A 59 -0.499 -5.248 7.275 1.00 2.40 C ATOM 665 CG GLU A 59 -0.815 -6.714 7.520 1.00 40.53 C ATOM 666 CD GLU A 59 -2.305 -6.997 7.519 1.00 64.12 C ATOM 667 OE1 GLU A 59 -3.040 -6.305 8.254 1.00 21.31 O ATOM 668 OE2 GLU A 59 -2.735 -7.910 6.784 1.00 60.12 O ATOM 0 H GLU A 59 0.399 -3.000 6.221 1.00 64.43 H new ATOM 0 HA GLU A 59 1.629 -5.525 7.139 1.00 31.21 H new ATOM 0 HB2 GLU A 59 -0.498 -4.721 8.229 1.00 2.40 H new ATOM 0 HB3 GLU A 59 -1.293 -4.810 6.669 1.00 2.40 H new ATOM 0 HG2 GLU A 59 -0.333 -7.319 6.752 1.00 40.53 H new ATOM 0 HG3 GLU A 59 -0.392 -7.018 8.477 1.00 40.53 H new ATOM 675 N THR A 60 1.538 -6.689 4.962 1.00 51.44 N ATOM 676 CA THR A 60 1.588 -7.341 3.659 1.00 22.35 C ATOM 677 C THR A 60 1.056 -8.768 3.739 1.00 50.45 C ATOM 678 O THR A 60 1.789 -9.694 4.082 1.00 33.44 O ATOM 679 CB THR A 60 3.023 -7.371 3.101 1.00 24.20 C ATOM 680 OG1 THR A 60 3.087 -8.235 1.961 1.00 44.24 O ATOM 681 CG2 THR A 60 4.006 -7.848 4.160 1.00 42.40 C ATOM 0 H THR A 60 2.106 -7.138 5.680 1.00 51.44 H new ATOM 0 HA THR A 60 0.958 -6.757 2.988 1.00 22.35 H new ATOM 0 HB THR A 60 3.295 -6.358 2.805 1.00 24.20 H new ATOM 0 HG1 THR A 60 4.002 -8.248 1.611 1.00 44.24 H new ATOM 0 HG21 THR A 60 5.013 -7.861 3.742 1.00 42.40 H new ATOM 0 HG22 THR A 60 3.976 -7.172 5.015 1.00 42.40 H new ATOM 0 HG23 THR A 60 3.734 -8.853 4.482 1.00 42.40 H new ATOM 689 N GLU A 61 -0.223 -8.936 3.417 1.00 10.13 N ATOM 690 CA GLU A 61 -0.852 -10.251 3.453 1.00 52.24 C ATOM 691 C GLU A 61 -1.740 -10.462 2.230 1.00 61.34 C ATOM 692 O GLU A 61 -2.017 -9.526 1.479 1.00 0.11 O ATOM 693 CB GLU A 61 -1.679 -10.411 4.730 1.00 22.03 C ATOM 694 CG GLU A 61 -0.987 -11.234 5.804 1.00 44.21 C ATOM 695 CD GLU A 61 -1.691 -12.549 6.076 1.00 13.43 C ATOM 696 OE1 GLU A 61 -1.824 -13.357 5.134 1.00 34.33 O ATOM 697 OE2 GLU A 61 -2.109 -12.768 7.232 1.00 35.44 O ATOM 0 H GLU A 61 -0.843 -8.179 3.129 1.00 10.13 H new ATOM 0 HA GLU A 61 -0.063 -11.003 3.443 1.00 52.24 H new ATOM 0 HB2 GLU A 61 -1.907 -9.424 5.131 1.00 22.03 H new ATOM 0 HB3 GLU A 61 -2.630 -10.881 4.480 1.00 22.03 H new ATOM 0 HG2 GLU A 61 0.040 -11.433 5.499 1.00 44.21 H new ATOM 0 HG3 GLU A 61 -0.939 -10.654 6.726 1.00 44.21 H new ATOM 704 N THR A 62 -2.183 -11.700 2.034 1.00 33.42 N ATOM 705 CA THR A 62 -3.038 -12.037 0.902 1.00 3.45 C ATOM 706 C THR A 62 -4.506 -12.069 1.312 1.00 24.13 C ATOM 707 O THR A 62 -5.398 -11.981 0.470 1.00 65.34 O ATOM 708 CB THR A 62 -2.656 -13.400 0.296 1.00 45.25 C ATOM 709 OG1 THR A 62 -1.236 -13.481 0.129 1.00 24.34 O ATOM 710 CG2 THR A 62 -3.341 -13.606 -1.047 1.00 0.32 C ATOM 0 H THR A 62 -1.964 -12.487 2.645 1.00 33.42 H new ATOM 0 HA THR A 62 -2.890 -11.260 0.152 1.00 3.45 H new ATOM 0 HB THR A 62 -2.987 -14.182 0.979 1.00 45.25 H new ATOM 0 HG1 THR A 62 -1.001 -14.351 -0.255 1.00 24.34 H new ATOM 0 HG21 THR A 62 -3.056 -14.575 -1.456 1.00 0.32 H new ATOM 0 HG22 THR A 62 -4.422 -13.572 -0.913 1.00 0.32 H new ATOM 0 HG23 THR A 62 -3.036 -12.818 -1.736 1.00 0.32 H new ATOM 718 N GLY A 63 -4.750 -12.195 2.613 1.00 24.33 N ATOM 719 CA GLY A 63 -6.112 -12.237 3.112 1.00 42.50 C ATOM 720 C GLY A 63 -6.972 -13.237 2.366 1.00 31.33 C ATOM 721 O GLY A 63 -6.457 -14.159 1.735 1.00 44.11 O ATOM 0 H GLY A 63 -4.029 -12.269 3.330 1.00 24.33 H new ATOM 0 HA2 GLY A 63 -6.100 -12.492 4.172 1.00 42.50 H new ATOM 0 HA3 GLY A 63 -6.557 -11.246 3.028 1.00 42.50 H new ATOM 725 N GLU A 64 -8.287 -13.056 2.441 1.00 71.51 N ATOM 726 CA GLU A 64 -9.220 -13.953 1.769 1.00 31.51 C ATOM 727 C GLU A 64 -9.471 -13.501 0.333 1.00 32.54 C ATOM 728 O GLU A 64 -9.823 -14.305 -0.529 1.00 52.22 O ATOM 729 CB GLU A 64 -10.543 -14.016 2.535 1.00 54.52 C ATOM 730 CG GLU A 64 -11.520 -15.039 1.981 1.00 62.34 C ATOM 731 CD GLU A 64 -11.785 -16.176 2.948 1.00 32.04 C ATOM 732 OE1 GLU A 64 -11.843 -15.914 4.168 1.00 31.33 O ATOM 733 OE2 GLU A 64 -11.935 -17.326 2.487 1.00 63.53 O ATOM 0 H GLU A 64 -8.730 -12.297 2.960 1.00 71.51 H new ATOM 0 HA GLU A 64 -8.775 -14.948 1.745 1.00 31.51 H new ATOM 0 HB2 GLU A 64 -10.337 -14.251 3.579 1.00 54.52 H new ATOM 0 HB3 GLU A 64 -11.011 -13.032 2.516 1.00 54.52 H new ATOM 0 HG2 GLU A 64 -12.461 -14.544 1.741 1.00 62.34 H new ATOM 0 HG3 GLU A 64 -11.126 -15.444 1.049 1.00 62.34 H new ATOM 740 N GLY A 65 -9.288 -12.208 0.086 1.00 61.04 N ATOM 741 CA GLY A 65 -9.500 -11.671 -1.246 1.00 4.53 C ATOM 742 C GLY A 65 -8.303 -11.881 -2.153 1.00 14.22 C ATOM 743 O GLY A 65 -7.934 -13.016 -2.450 1.00 64.22 O ATOM 0 H GLY A 65 -8.997 -11.523 0.783 1.00 61.04 H new ATOM 0 HA2 GLY A 65 -10.376 -12.144 -1.690 1.00 4.53 H new ATOM 0 HA3 GLY A 65 -9.715 -10.605 -1.175 1.00 4.53 H new ATOM 747 N ALA A 66 -7.698 -10.783 -2.595 1.00 20.50 N ATOM 748 CA ALA A 66 -6.537 -10.853 -3.473 1.00 42.12 C ATOM 749 C ALA A 66 -5.326 -10.180 -2.836 1.00 64.12 C ATOM 750 O ALA A 66 -4.329 -10.835 -2.531 1.00 13.31 O ATOM 751 CB ALA A 66 -6.852 -10.213 -4.817 1.00 74.01 C ATOM 0 H ALA A 66 -7.993 -9.835 -2.359 1.00 20.50 H new ATOM 0 HA ALA A 66 -6.295 -11.904 -3.631 1.00 42.12 H new ATOM 0 HB1 ALA A 66 -5.976 -10.272 -5.463 1.00 74.01 H new ATOM 0 HB2 ALA A 66 -7.684 -10.740 -5.285 1.00 74.01 H new ATOM 0 HB3 ALA A 66 -7.122 -9.168 -4.668 1.00 74.01 H new ATOM 757 N ALA A 67 -5.418 -8.869 -2.639 1.00 74.12 N ATOM 758 CA ALA A 67 -4.331 -8.108 -2.037 1.00 65.23 C ATOM 759 C ALA A 67 -4.719 -7.594 -0.655 1.00 53.24 C ATOM 760 O ALA A 67 -5.330 -6.533 -0.527 1.00 34.52 O ATOM 761 CB ALA A 67 -3.933 -6.950 -2.941 1.00 71.50 C ATOM 0 H ALA A 67 -6.235 -8.312 -2.888 1.00 74.12 H new ATOM 0 HA ALA A 67 -3.476 -8.774 -1.921 1.00 65.23 H new ATOM 0 HB1 ALA A 67 -3.120 -6.390 -2.479 1.00 71.50 H new ATOM 0 HB2 ALA A 67 -3.604 -7.338 -3.905 1.00 71.50 H new ATOM 0 HB3 ALA A 67 -4.789 -6.292 -3.087 1.00 71.50 H new ATOM 767 N ALA A 68 -4.361 -8.352 0.376 1.00 74.35 N ATOM 768 CA ALA A 68 -4.672 -7.972 1.748 1.00 41.01 C ATOM 769 C ALA A 68 -3.580 -7.082 2.331 1.00 11.43 C ATOM 770 O ALA A 68 -2.671 -7.561 3.009 1.00 65.03 O ATOM 771 CB ALA A 68 -4.861 -9.212 2.609 1.00 1.13 C ATOM 0 H ALA A 68 -3.855 -9.233 0.287 1.00 74.35 H new ATOM 0 HA ALA A 68 -5.602 -7.404 1.740 1.00 41.01 H new ATOM 0 HB1 ALA A 68 -5.093 -8.913 3.631 1.00 1.13 H new ATOM 0 HB2 ALA A 68 -5.681 -9.810 2.211 1.00 1.13 H new ATOM 0 HB3 ALA A 68 -3.945 -9.803 2.602 1.00 1.13 H new ATOM 777 N TYR A 69 -3.676 -5.784 2.064 1.00 64.04 N ATOM 778 CA TYR A 69 -2.694 -4.827 2.560 1.00 42.04 C ATOM 779 C TYR A 69 -3.306 -3.920 3.623 1.00 61.20 C ATOM 780 O TYR A 69 -4.308 -3.249 3.381 1.00 33.30 O ATOM 781 CB TYR A 69 -2.146 -3.983 1.408 1.00 51.15 C ATOM 782 CG TYR A 69 -1.299 -2.816 1.861 1.00 2.24 C ATOM 783 CD1 TYR A 69 -1.883 -1.679 2.408 1.00 63.42 C ATOM 784 CD2 TYR A 69 0.085 -2.849 1.743 1.00 0.31 C ATOM 785 CE1 TYR A 69 -1.113 -0.610 2.823 1.00 22.23 C ATOM 786 CE2 TYR A 69 0.863 -1.785 2.157 1.00 11.03 C ATOM 787 CZ TYR A 69 0.259 -0.668 2.696 1.00 5.05 C ATOM 788 OH TYR A 69 1.031 0.394 3.109 1.00 53.41 O ATOM 0 H TYR A 69 -4.424 -5.371 1.507 1.00 64.04 H new ATOM 0 HA TYR A 69 -1.876 -5.387 3.013 1.00 42.04 H new ATOM 0 HB2 TYR A 69 -1.551 -4.620 0.753 1.00 51.15 H new ATOM 0 HB3 TYR A 69 -2.980 -3.607 0.815 1.00 51.15 H new ATOM 0 HD1 TYR A 69 -2.957 -1.631 2.510 1.00 63.42 H new ATOM 0 HD2 TYR A 69 0.561 -3.722 1.320 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -1.583 0.266 3.245 1.00 22.23 H new ATOM 0 HE2 TYR A 69 1.938 -1.827 2.059 1.00 11.03 H new ATOM 0 HH TYR A 69 0.493 1.213 3.098 1.00 53.41 H new ATOM 798 N GLY A 70 -2.693 -3.906 4.803 1.00 13.41 N ATOM 799 CA GLY A 70 -3.190 -3.078 5.887 1.00 73.13 C ATOM 800 C GLY A 70 -2.121 -2.168 6.458 1.00 34.04 C ATOM 801 O GLY A 70 -1.168 -2.634 7.083 1.00 15.45 O ATOM 0 H GLY A 70 -1.862 -4.453 5.028 1.00 13.41 H new ATOM 0 HA2 GLY A 70 -4.022 -2.474 5.526 1.00 73.13 H new ATOM 0 HA3 GLY A 70 -3.580 -3.717 6.679 1.00 73.13 H new ATOM 805 N VAL A 71 -2.278 -0.866 6.243 1.00 10.30 N ATOM 806 CA VAL A 71 -1.318 0.112 6.741 1.00 52.41 C ATOM 807 C VAL A 71 -1.898 0.907 7.906 1.00 44.23 C ATOM 808 O VAL A 71 -2.927 1.570 7.769 1.00 43.15 O ATOM 809 CB VAL A 71 -0.886 1.090 5.632 1.00 61.44 C ATOM 810 CG1 VAL A 71 -2.090 1.837 5.079 1.00 30.01 C ATOM 811 CG2 VAL A 71 0.160 2.061 6.156 1.00 4.21 C ATOM 0 H VAL A 71 -3.061 -0.464 5.727 1.00 10.30 H new ATOM 0 HA VAL A 71 -0.446 -0.446 7.083 1.00 52.41 H new ATOM 0 HB VAL A 71 -0.441 0.516 4.819 1.00 61.44 H new ATOM 0 HG11 VAL A 71 -1.765 2.523 4.297 1.00 30.01 H new ATOM 0 HG12 VAL A 71 -2.801 1.123 4.663 1.00 30.01 H new ATOM 0 HG13 VAL A 71 -2.568 2.401 5.880 1.00 30.01 H new ATOM 0 HG21 VAL A 71 0.454 2.744 5.359 1.00 4.21 H new ATOM 0 HG22 VAL A 71 -0.256 2.630 6.987 1.00 4.21 H new ATOM 0 HG23 VAL A 71 1.033 1.505 6.498 1.00 4.21 H new ATOM 821 N LEU A 72 -1.230 0.837 9.052 1.00 15.13 N ATOM 822 CA LEU A 72 -1.678 1.551 10.243 1.00 15.10 C ATOM 823 C LEU A 72 -0.682 2.637 10.634 1.00 43.52 C ATOM 824 O LEU A 72 0.527 2.405 10.660 1.00 0.34 O ATOM 825 CB LEU A 72 -1.868 0.575 11.406 1.00 54.24 C ATOM 826 CG LEU A 72 -0.937 -0.637 11.423 1.00 71.51 C ATOM 827 CD1 LEU A 72 -1.252 -1.569 10.263 1.00 34.31 C ATOM 828 CD2 LEU A 72 0.518 -0.194 11.373 1.00 54.55 C ATOM 0 H LEU A 72 -0.377 0.294 9.182 1.00 15.13 H new ATOM 0 HA LEU A 72 -2.633 2.025 10.014 1.00 15.10 H new ATOM 0 HB2 LEU A 72 -1.736 1.123 12.339 1.00 54.24 H new ATOM 0 HB3 LEU A 72 -2.897 0.217 11.389 1.00 54.24 H new ATOM 0 HG LEU A 72 -1.098 -1.181 12.354 1.00 71.51 H new ATOM 0 HD11 LEU A 72 -0.579 -2.426 10.292 1.00 34.31 H new ATOM 0 HD12 LEU A 72 -2.283 -1.914 10.343 1.00 34.31 H new ATOM 0 HD13 LEU A 72 -1.120 -1.036 9.322 1.00 34.31 H new ATOM 0 HD21 LEU A 72 1.166 -1.070 11.386 1.00 54.55 H new ATOM 0 HD22 LEU A 72 0.694 0.374 10.460 1.00 54.55 H new ATOM 0 HD23 LEU A 72 0.738 0.432 12.238 1.00 54.55 H new ATOM 840 N VAL A 73 -1.197 3.824 10.939 1.00 41.34 N ATOM 841 CA VAL A 73 -0.353 4.946 11.332 1.00 43.24 C ATOM 842 C VAL A 73 -1.041 5.810 12.383 1.00 25.30 C ATOM 843 O VAL A 73 -2.141 6.318 12.163 1.00 23.43 O ATOM 844 CB VAL A 73 0.013 5.825 10.121 1.00 72.25 C ATOM 845 CG1 VAL A 73 0.537 4.968 8.978 1.00 53.31 C ATOM 846 CG2 VAL A 73 -1.189 6.645 9.676 1.00 61.34 C ATOM 0 H VAL A 73 -2.195 4.033 10.921 1.00 41.34 H new ATOM 0 HA VAL A 73 0.559 4.523 11.753 1.00 43.24 H new ATOM 0 HB VAL A 73 0.804 6.514 10.419 1.00 72.25 H new ATOM 0 HG11 VAL A 73 0.790 5.606 8.131 1.00 53.31 H new ATOM 0 HG12 VAL A 73 1.426 4.429 9.305 1.00 53.31 H new ATOM 0 HG13 VAL A 73 -0.230 4.254 8.677 1.00 53.31 H new ATOM 0 HG21 VAL A 73 -0.913 7.260 8.820 1.00 61.34 H new ATOM 0 HG22 VAL A 73 -2.002 5.976 9.395 1.00 61.34 H new ATOM 0 HG23 VAL A 73 -1.514 7.287 10.494 1.00 61.34 H new ATOM 856 N THR A 74 -0.385 5.973 13.528 1.00 42.31 N ATOM 857 CA THR A 74 -0.933 6.775 14.615 1.00 42.03 C ATOM 858 C THR A 74 0.091 6.965 15.728 1.00 31.32 C ATOM 859 O THR A 74 1.212 7.411 15.484 1.00 21.41 O ATOM 860 CB THR A 74 -2.202 6.130 15.204 1.00 43.43 C ATOM 861 OG1 THR A 74 -3.042 5.649 14.149 1.00 43.14 O ATOM 862 CG2 THR A 74 -2.971 7.129 16.055 1.00 3.23 C ATOM 0 H THR A 74 0.526 5.560 13.726 1.00 42.31 H new ATOM 0 HA THR A 74 -1.191 7.746 14.193 1.00 42.03 H new ATOM 0 HB THR A 74 -1.899 5.295 15.836 1.00 43.43 H new ATOM 0 HG1 THR A 74 -3.059 6.304 13.420 1.00 43.14 H new ATOM 0 HG21 THR A 74 -3.863 6.651 16.460 1.00 3.23 H new ATOM 0 HG22 THR A 74 -2.339 7.472 16.874 1.00 3.23 H new ATOM 0 HG23 THR A 74 -3.263 7.981 15.441 1.00 3.23 H new ATOM 870 N ARG A 75 -0.302 6.623 16.951 1.00 23.10 N ATOM 871 CA ARG A 75 0.583 6.756 18.103 1.00 55.35 C ATOM 872 C ARG A 75 1.085 5.391 18.563 1.00 44.21 C ATOM 873 O ARG A 75 0.383 4.383 18.481 1.00 50.44 O ATOM 874 CB ARG A 75 -0.144 7.458 19.251 1.00 2.25 C ATOM 875 CG ARG A 75 0.291 8.900 19.456 1.00 11.23 C ATOM 876 CD ARG A 75 0.628 9.179 20.913 1.00 54.02 C ATOM 877 NE ARG A 75 0.132 10.482 21.349 1.00 21.44 N ATOM 878 CZ ARG A 75 0.678 11.636 20.984 1.00 63.13 C ATOM 879 NH1 ARG A 75 1.732 11.649 20.179 1.00 51.10 N ATOM 880 NH2 ARG A 75 0.170 12.780 21.423 1.00 42.42 N ATOM 0 H ARG A 75 -1.227 6.252 17.170 1.00 23.10 H new ATOM 0 HA ARG A 75 1.442 7.357 17.804 1.00 55.35 H new ATOM 0 HB2 ARG A 75 -1.217 7.435 19.059 1.00 2.25 H new ATOM 0 HB3 ARG A 75 0.027 6.901 20.172 1.00 2.25 H new ATOM 0 HG2 ARG A 75 1.161 9.111 18.834 1.00 11.23 H new ATOM 0 HG3 ARG A 75 -0.504 9.571 19.130 1.00 11.23 H new ATOM 0 HD2 ARG A 75 0.198 8.399 21.541 1.00 54.02 H new ATOM 0 HD3 ARG A 75 1.709 9.138 21.050 1.00 54.02 H new ATOM 0 HE ARG A 75 -0.678 10.507 21.968 1.00 21.44 H new ATOM 0 HH11 ARG A 75 2.125 10.771 19.839 1.00 51.10 H new ATOM 0 HH12 ARG A 75 2.150 12.537 19.900 1.00 51.10 H new ATOM 0 HH21 ARG A 75 -0.641 12.774 22.042 1.00 42.42 H new ATOM 0 HH22 ARG A 75 0.590 13.666 21.142 1.00 42.42 H new ATOM 894 N PRO A 76 2.331 5.356 19.059 1.00 61.30 N ATOM 895 CA PRO A 76 2.956 4.121 19.542 1.00 32.32 C ATOM 896 C PRO A 76 2.322 3.617 20.834 1.00 12.54 C ATOM 897 O PRO A 76 2.861 2.731 21.497 1.00 35.31 O ATOM 898 CB PRO A 76 4.411 4.530 19.785 1.00 54.45 C ATOM 899 CG PRO A 76 4.354 5.998 20.033 1.00 44.30 C ATOM 900 CD PRO A 76 3.225 6.519 19.187 1.00 64.51 C ATOM 0 HA PRO A 76 2.842 3.303 18.831 1.00 32.32 H new ATOM 0 HB2 PRO A 76 4.834 4.000 20.638 1.00 54.45 H new ATOM 0 HB3 PRO A 76 5.037 4.298 18.923 1.00 54.45 H new ATOM 0 HG2 PRO A 76 4.180 6.209 21.088 1.00 44.30 H new ATOM 0 HG3 PRO A 76 5.296 6.476 19.764 1.00 44.30 H new ATOM 0 HD2 PRO A 76 2.723 7.362 19.662 1.00 64.51 H new ATOM 0 HD3 PRO A 76 3.577 6.864 18.215 1.00 64.51 H new ATOM 908 N ASP A 77 1.175 4.188 21.187 1.00 42.33 N ATOM 909 CA ASP A 77 0.467 3.796 22.400 1.00 53.25 C ATOM 910 C ASP A 77 -0.542 2.690 22.106 1.00 23.21 C ATOM 911 O ASP A 77 -1.564 2.572 22.781 1.00 44.30 O ATOM 912 CB ASP A 77 -0.246 5.003 23.012 1.00 25.05 C ATOM 913 CG ASP A 77 -0.861 4.688 24.362 1.00 41.22 C ATOM 914 OD1 ASP A 77 -0.119 4.245 25.263 1.00 61.32 O ATOM 915 OD2 ASP A 77 -2.085 4.885 24.517 1.00 64.55 O ATOM 0 H ASP A 77 0.716 4.924 20.650 1.00 42.33 H new ATOM 0 HA ASP A 77 1.199 3.416 23.112 1.00 53.25 H new ATOM 0 HB2 ASP A 77 0.463 5.823 23.121 1.00 25.05 H new ATOM 0 HB3 ASP A 77 -1.026 5.344 22.331 1.00 25.05 H new ATOM 920 N GLY A 78 -0.247 1.881 21.093 1.00 61.50 N ATOM 921 CA GLY A 78 -1.138 0.795 20.727 1.00 10.11 C ATOM 922 C GLY A 78 -2.335 1.272 19.928 1.00 21.24 C ATOM 923 O GLY A 78 -3.081 0.466 19.372 1.00 72.42 O ATOM 0 H GLY A 78 0.593 1.958 20.519 1.00 61.50 H new ATOM 0 HA2 GLY A 78 -0.586 0.057 20.144 1.00 10.11 H new ATOM 0 HA3 GLY A 78 -1.485 0.293 21.630 1.00 10.11 H new ATOM 927 N THR A 79 -2.521 2.587 19.872 1.00 32.11 N ATOM 928 CA THR A 79 -3.637 3.170 19.138 1.00 34.04 C ATOM 929 C THR A 79 -3.207 3.614 17.745 1.00 55.00 C ATOM 930 O THR A 79 -2.536 4.634 17.588 1.00 53.02 O ATOM 931 CB THR A 79 -4.234 4.376 19.888 1.00 5.31 C ATOM 932 OG1 THR A 79 -3.307 5.468 19.874 1.00 54.30 O ATOM 933 CG2 THR A 79 -4.569 4.008 21.325 1.00 13.14 C ATOM 0 H THR A 79 -1.913 3.268 20.326 1.00 32.11 H new ATOM 0 HA THR A 79 -4.397 2.394 19.050 1.00 34.04 H new ATOM 0 HB THR A 79 -5.153 4.672 19.382 1.00 5.31 H new ATOM 0 HG1 THR A 79 -2.607 5.295 19.210 1.00 54.30 H new ATOM 0 HG21 THR A 79 -4.989 4.875 21.834 1.00 13.14 H new ATOM 0 HG22 THR A 79 -5.296 3.196 21.333 1.00 13.14 H new ATOM 0 HG23 THR A 79 -3.663 3.689 21.840 1.00 13.14 H new ATOM 941 N ARG A 80 -3.599 2.842 16.736 1.00 2.41 N ATOM 942 CA ARG A 80 -3.253 3.157 15.355 1.00 21.31 C ATOM 943 C ARG A 80 -4.443 2.922 14.430 1.00 54.43 C ATOM 944 O ARG A 80 -5.424 2.284 14.812 1.00 61.52 O ATOM 945 CB ARG A 80 -2.064 2.309 14.899 1.00 31.21 C ATOM 946 CG ARG A 80 -2.245 0.821 15.152 1.00 64.10 C ATOM 947 CD ARG A 80 -0.937 0.064 14.980 1.00 71.15 C ATOM 948 NE ARG A 80 0.219 0.879 15.344 1.00 61.54 N ATOM 949 CZ ARG A 80 0.541 1.179 16.597 1.00 61.02 C ATOM 950 NH1 ARG A 80 -0.202 0.734 17.601 1.00 60.14 N ATOM 951 NH2 ARG A 80 1.609 1.926 16.848 1.00 72.30 N ATOM 0 H ARG A 80 -4.156 1.995 16.849 1.00 2.41 H new ATOM 0 HA ARG A 80 -2.979 4.211 15.306 1.00 21.31 H new ATOM 0 HB2 ARG A 80 -1.901 2.471 13.834 1.00 31.21 H new ATOM 0 HB3 ARG A 80 -1.166 2.650 15.414 1.00 31.21 H new ATOM 0 HG2 ARG A 80 -2.626 0.666 16.161 1.00 64.10 H new ATOM 0 HG3 ARG A 80 -2.991 0.422 14.465 1.00 64.10 H new ATOM 0 HD2 ARG A 80 -0.955 -0.835 15.596 1.00 71.15 H new ATOM 0 HD3 ARG A 80 -0.840 -0.261 13.944 1.00 71.15 H new ATOM 0 HE ARG A 80 0.811 1.237 14.595 1.00 61.54 H new ATOM 0 HH11 ARG A 80 -1.023 0.160 17.412 1.00 60.14 H new ATOM 0 HH12 ARG A 80 0.048 0.966 18.562 1.00 60.14 H new ATOM 0 HH21 ARG A 80 2.183 2.270 16.078 1.00 72.30 H new ATOM 0 HH22 ARG A 80 1.856 2.156 17.811 1.00 72.30 H new ATOM 965 N VAL A 81 -4.351 3.445 13.211 1.00 64.52 N ATOM 966 CA VAL A 81 -5.419 3.292 12.230 1.00 0.15 C ATOM 967 C VAL A 81 -4.956 2.464 11.037 1.00 3.30 C ATOM 968 O VAL A 81 -4.299 2.977 10.132 1.00 63.13 O ATOM 969 CB VAL A 81 -5.920 4.660 11.729 1.00 31.52 C ATOM 970 CG1 VAL A 81 -6.774 5.337 12.790 1.00 5.34 C ATOM 971 CG2 VAL A 81 -4.747 5.543 11.332 1.00 55.22 C ATOM 0 H VAL A 81 -3.547 3.979 12.879 1.00 64.52 H new ATOM 0 HA VAL A 81 -6.237 2.775 12.731 1.00 0.15 H new ATOM 0 HB VAL A 81 -6.540 4.500 10.847 1.00 31.52 H new ATOM 0 HG11 VAL A 81 -7.119 6.302 12.418 1.00 5.34 H new ATOM 0 HG12 VAL A 81 -7.634 4.708 13.020 1.00 5.34 H new ATOM 0 HG13 VAL A 81 -6.182 5.487 13.693 1.00 5.34 H new ATOM 0 HG21 VAL A 81 -5.119 6.505 10.980 1.00 55.22 H new ATOM 0 HG22 VAL A 81 -4.099 5.697 12.195 1.00 55.22 H new ATOM 0 HG23 VAL A 81 -4.181 5.060 10.536 1.00 55.22 H new ATOM 981 N GLU A 82 -5.303 1.181 11.043 1.00 54.21 N ATOM 982 CA GLU A 82 -4.922 0.282 9.960 1.00 53.20 C ATOM 983 C GLU A 82 -5.931 0.349 8.817 1.00 33.20 C ATOM 984 O GLU A 82 -7.131 0.162 9.021 1.00 22.12 O ATOM 985 CB GLU A 82 -4.813 -1.155 10.475 1.00 45.42 C ATOM 986 CG GLU A 82 -4.494 -2.168 9.388 1.00 3.23 C ATOM 987 CD GLU A 82 -5.738 -2.815 8.811 1.00 44.11 C ATOM 988 OE1 GLU A 82 -6.697 -3.044 9.576 1.00 73.41 O ATOM 989 OE2 GLU A 82 -5.751 -3.092 7.593 1.00 3.40 O ATOM 0 H GLU A 82 -5.847 0.741 11.785 1.00 54.21 H new ATOM 0 HA GLU A 82 -3.950 0.600 9.583 1.00 53.20 H new ATOM 0 HB2 GLU A 82 -4.038 -1.200 11.241 1.00 45.42 H new ATOM 0 HB3 GLU A 82 -5.752 -1.432 10.955 1.00 45.42 H new ATOM 0 HG2 GLU A 82 -3.941 -1.675 8.588 1.00 3.23 H new ATOM 0 HG3 GLU A 82 -3.843 -2.941 9.796 1.00 3.23 H new ATOM 996 N VAL A 83 -5.436 0.617 7.613 1.00 1.31 N ATOM 997 CA VAL A 83 -6.293 0.708 6.437 1.00 44.42 C ATOM 998 C VAL A 83 -6.391 -0.635 5.723 1.00 34.35 C ATOM 999 O VAL A 83 -5.410 -1.128 5.166 1.00 31.55 O ATOM 1000 CB VAL A 83 -5.774 1.767 5.445 1.00 23.32 C ATOM 1001 CG1 VAL A 83 -6.888 2.218 4.514 1.00 54.01 C ATOM 1002 CG2 VAL A 83 -5.180 2.951 6.193 1.00 51.01 C ATOM 0 H VAL A 83 -4.446 0.775 7.426 1.00 1.31 H new ATOM 0 HA VAL A 83 -7.282 1.003 6.788 1.00 44.42 H new ATOM 0 HB VAL A 83 -4.987 1.318 4.839 1.00 23.32 H new ATOM 0 HG11 VAL A 83 -6.503 2.966 3.821 1.00 54.01 H new ATOM 0 HG12 VAL A 83 -7.262 1.362 3.953 1.00 54.01 H new ATOM 0 HG13 VAL A 83 -7.699 2.650 5.100 1.00 54.01 H new ATOM 0 HG21 VAL A 83 -4.818 3.689 5.477 1.00 51.01 H new ATOM 0 HG22 VAL A 83 -5.945 3.403 6.825 1.00 51.01 H new ATOM 0 HG23 VAL A 83 -4.351 2.611 6.813 1.00 51.01 H new ATOM 1012 N HIS A 84 -7.583 -1.224 5.744 1.00 53.42 N ATOM 1013 CA HIS A 84 -7.811 -2.511 5.097 1.00 34.25 C ATOM 1014 C HIS A 84 -8.147 -2.326 3.621 1.00 54.12 C ATOM 1015 O HIS A 84 -9.198 -1.784 3.276 1.00 52.43 O ATOM 1016 CB HIS A 84 -8.942 -3.265 5.799 1.00 2.41 C ATOM 1017 CG HIS A 84 -8.779 -4.753 5.769 1.00 63.14 C ATOM 1018 ND1 HIS A 84 -9.426 -5.599 6.644 1.00 23.23 N ATOM 1019 CD2 HIS A 84 -8.038 -5.546 4.960 1.00 64.21 C ATOM 1020 CE1 HIS A 84 -9.088 -6.848 6.377 1.00 73.12 C ATOM 1021 NE2 HIS A 84 -8.247 -6.843 5.358 1.00 32.44 N ATOM 0 H HIS A 84 -8.405 -0.830 6.202 1.00 53.42 H new ATOM 0 HA HIS A 84 -6.893 -3.095 5.172 1.00 34.25 H new ATOM 0 HB2 HIS A 84 -8.999 -2.935 6.836 1.00 2.41 H new ATOM 0 HB3 HIS A 84 -9.890 -3.002 5.329 1.00 2.41 H new ATOM 0 HD2 HIS A 84 -7.401 -5.219 4.152 1.00 64.21 H new ATOM 0 HE1 HIS A 84 -9.439 -7.724 6.902 1.00 73.12 H new ATOM 0 HE2 HIS A 84 -7.822 -7.669 4.936 1.00 32.44 H new ATOM 1029 N LEU A 85 -7.249 -2.779 2.753 1.00 1.44 N ATOM 1030 CA LEU A 85 -7.450 -2.662 1.313 1.00 24.21 C ATOM 1031 C LEU A 85 -7.210 -4.000 0.620 1.00 1.31 C ATOM 1032 O LEU A 85 -6.127 -4.576 0.720 1.00 63.45 O ATOM 1033 CB LEU A 85 -6.515 -1.599 0.732 1.00 32.44 C ATOM 1034 CG LEU A 85 -7.063 -0.172 0.696 1.00 63.13 C ATOM 1035 CD1 LEU A 85 -8.158 -0.047 -0.352 1.00 20.30 C ATOM 1036 CD2 LEU A 85 -7.584 0.234 2.066 1.00 13.43 C ATOM 0 H LEU A 85 -6.375 -3.231 3.021 1.00 1.44 H new ATOM 0 HA LEU A 85 -8.483 -2.363 1.138 1.00 24.21 H new ATOM 0 HB2 LEU A 85 -5.593 -1.598 1.313 1.00 32.44 H new ATOM 0 HB3 LEU A 85 -6.252 -1.892 -0.284 1.00 32.44 H new ATOM 0 HG LEU A 85 -6.251 0.502 0.425 1.00 63.13 H new ATOM 0 HD11 LEU A 85 -8.536 0.975 -0.363 1.00 20.30 H new ATOM 0 HD12 LEU A 85 -7.753 -0.295 -1.333 1.00 20.30 H new ATOM 0 HD13 LEU A 85 -8.971 -0.732 -0.112 1.00 20.30 H new ATOM 0 HD21 LEU A 85 -7.970 1.252 2.021 1.00 13.43 H new ATOM 0 HD22 LEU A 85 -8.383 -0.444 2.367 1.00 13.43 H new ATOM 0 HD23 LEU A 85 -6.773 0.185 2.793 1.00 13.43 H new ATOM 1048 N ASP A 86 -8.227 -4.486 -0.083 1.00 65.20 N ATOM 1049 CA ASP A 86 -8.126 -5.754 -0.796 1.00 23.41 C ATOM 1050 C ASP A 86 -8.766 -5.654 -2.177 1.00 33.03 C ATOM 1051 O ASP A 86 -9.862 -5.113 -2.326 1.00 31.05 O ATOM 1052 CB ASP A 86 -8.792 -6.871 0.009 1.00 12.03 C ATOM 1053 CG ASP A 86 -8.110 -8.211 -0.184 1.00 40.13 C ATOM 1054 OD1 ASP A 86 -7.653 -8.486 -1.313 1.00 42.23 O ATOM 1055 OD2 ASP A 86 -8.034 -8.985 0.793 1.00 60.21 O ATOM 0 H ASP A 86 -9.130 -4.021 -0.174 1.00 65.20 H new ATOM 0 HA ASP A 86 -7.069 -5.988 -0.922 1.00 23.41 H new ATOM 0 HB2 ASP A 86 -8.779 -6.609 1.067 1.00 12.03 H new ATOM 0 HB3 ASP A 86 -9.838 -6.953 -0.286 1.00 12.03 H new ATOM 1060 N ARG A 87 -8.075 -6.178 -3.184 1.00 10.23 N ATOM 1061 CA ARG A 87 -8.575 -6.145 -4.553 1.00 34.14 C ATOM 1062 C ARG A 87 -9.917 -6.864 -4.658 1.00 55.53 C ATOM 1063 O ARG A 87 -10.479 -6.994 -5.746 1.00 70.10 O ATOM 1064 CB ARG A 87 -7.564 -6.788 -5.503 1.00 73.34 C ATOM 1065 CG ARG A 87 -7.868 -6.543 -6.972 1.00 40.03 C ATOM 1066 CD ARG A 87 -8.501 -7.763 -7.622 1.00 34.53 C ATOM 1067 NE ARG A 87 -8.010 -7.977 -8.980 1.00 75.44 N ATOM 1068 CZ ARG A 87 -6.769 -8.356 -9.262 1.00 61.51 C ATOM 1069 NH1 ARG A 87 -5.897 -8.563 -8.284 1.00 53.25 N ATOM 1070 NH2 ARG A 87 -6.397 -8.530 -10.524 1.00 32.51 N ATOM 0 H ARG A 87 -7.167 -6.631 -3.077 1.00 10.23 H new ATOM 0 HA ARG A 87 -8.717 -5.102 -4.837 1.00 34.14 H new ATOM 0 HB2 ARG A 87 -6.570 -6.403 -5.277 1.00 73.34 H new ATOM 0 HB3 ARG A 87 -7.538 -7.862 -5.320 1.00 73.34 H new ATOM 0 HG2 ARG A 87 -8.539 -5.689 -7.068 1.00 40.03 H new ATOM 0 HG3 ARG A 87 -6.948 -6.286 -7.497 1.00 40.03 H new ATOM 0 HD2 ARG A 87 -8.291 -8.645 -7.018 1.00 34.53 H new ATOM 0 HD3 ARG A 87 -9.584 -7.641 -7.643 1.00 34.53 H new ATOM 0 HE ARG A 87 -8.656 -7.827 -9.755 1.00 75.44 H new ATOM 0 HH11 ARG A 87 -6.179 -8.431 -7.313 1.00 53.25 H new ATOM 0 HH12 ARG A 87 -4.944 -8.854 -8.503 1.00 53.25 H new ATOM 0 HH21 ARG A 87 -7.065 -8.373 -11.279 1.00 32.51 H new ATOM 0 HH22 ARG A 87 -5.443 -8.821 -10.739 1.00 32.51 H new ATOM 1084 N ASP A 88 -10.425 -7.328 -3.522 1.00 11.32 N ATOM 1085 CA ASP A 88 -11.701 -8.033 -3.486 1.00 12.51 C ATOM 1086 C ASP A 88 -12.847 -7.101 -3.869 1.00 73.40 C ATOM 1087 O ASP A 88 -14.000 -7.524 -3.961 1.00 11.12 O ATOM 1088 CB ASP A 88 -11.946 -8.617 -2.094 1.00 72.20 C ATOM 1089 CG ASP A 88 -12.710 -9.926 -2.142 1.00 52.11 C ATOM 1090 OD1 ASP A 88 -13.235 -10.268 -3.223 1.00 1.32 O ATOM 1091 OD2 ASP A 88 -12.783 -10.609 -1.099 1.00 44.32 O ATOM 0 H ASP A 88 -9.973 -7.229 -2.613 1.00 11.32 H new ATOM 0 HA ASP A 88 -11.660 -8.846 -4.211 1.00 12.51 H new ATOM 0 HB2 ASP A 88 -10.989 -8.776 -1.596 1.00 72.20 H new ATOM 0 HB3 ASP A 88 -12.502 -7.897 -1.494 1.00 72.20 H new ATOM 1096 N PHE A 89 -12.523 -5.832 -4.091 1.00 4.04 N ATOM 1097 CA PHE A 89 -13.525 -4.840 -4.462 1.00 31.13 C ATOM 1098 C PHE A 89 -14.472 -4.561 -3.298 1.00 25.53 C ATOM 1099 O PHE A 89 -15.501 -3.906 -3.464 1.00 24.44 O ATOM 1100 CB PHE A 89 -14.321 -5.319 -5.678 1.00 11.33 C ATOM 1101 CG PHE A 89 -13.457 -5.790 -6.812 1.00 40.33 C ATOM 1102 CD1 PHE A 89 -13.004 -4.899 -7.772 1.00 13.51 C ATOM 1103 CD2 PHE A 89 -13.097 -7.123 -6.919 1.00 61.30 C ATOM 1104 CE1 PHE A 89 -12.210 -5.330 -8.817 1.00 42.44 C ATOM 1105 CE2 PHE A 89 -12.302 -7.560 -7.962 1.00 71.21 C ATOM 1106 CZ PHE A 89 -11.857 -6.662 -8.912 1.00 12.31 C ATOM 0 H PHE A 89 -11.574 -5.466 -4.020 1.00 4.04 H new ATOM 0 HA PHE A 89 -13.008 -3.915 -4.716 1.00 31.13 H new ATOM 0 HB2 PHE A 89 -14.981 -6.131 -5.373 1.00 11.33 H new ATOM 0 HB3 PHE A 89 -14.957 -4.506 -6.029 1.00 11.33 H new ATOM 0 HD1 PHE A 89 -13.275 -3.856 -7.702 1.00 13.51 H new ATOM 0 HD2 PHE A 89 -13.442 -7.830 -6.179 1.00 61.30 H new ATOM 0 HE1 PHE A 89 -11.865 -4.626 -9.560 1.00 42.44 H new ATOM 0 HE2 PHE A 89 -12.029 -8.603 -8.034 1.00 71.21 H new ATOM 0 HZ PHE A 89 -11.235 -7.000 -9.727 1.00 12.31 H new ATOM 1116 N ARG A 90 -14.116 -5.064 -2.120 1.00 64.31 N ATOM 1117 CA ARG A 90 -14.933 -4.872 -0.928 1.00 51.35 C ATOM 1118 C ARG A 90 -14.068 -4.484 0.267 1.00 13.33 C ATOM 1119 O ARG A 90 -14.576 -4.254 1.365 1.00 25.23 O ATOM 1120 CB ARG A 90 -15.718 -6.146 -0.611 1.00 54.35 C ATOM 1121 CG ARG A 90 -17.188 -6.065 -0.989 1.00 55.11 C ATOM 1122 CD ARG A 90 -17.893 -4.939 -0.248 1.00 61.21 C ATOM 1123 NE ARG A 90 -19.309 -5.225 -0.037 1.00 74.20 N ATOM 1124 CZ ARG A 90 -19.754 -6.165 0.790 1.00 52.30 C ATOM 1125 NH1 ARG A 90 -18.897 -6.905 1.480 1.00 15.42 N ATOM 1126 NH2 ARG A 90 -21.059 -6.365 0.928 1.00 25.33 N ATOM 0 H ARG A 90 -13.267 -5.608 -1.966 1.00 64.31 H new ATOM 0 HA ARG A 90 -15.634 -4.061 -1.125 1.00 51.35 H new ATOM 0 HB2 ARG A 90 -15.262 -6.984 -1.137 1.00 54.35 H new ATOM 0 HB3 ARG A 90 -15.637 -6.357 0.455 1.00 54.35 H new ATOM 0 HG2 ARG A 90 -17.280 -5.908 -2.064 1.00 55.11 H new ATOM 0 HG3 ARG A 90 -17.676 -7.013 -0.762 1.00 55.11 H new ATOM 0 HD2 ARG A 90 -17.408 -4.779 0.715 1.00 61.21 H new ATOM 0 HD3 ARG A 90 -17.791 -4.013 -0.814 1.00 61.21 H new ATOM 0 HE ARG A 90 -19.994 -4.673 -0.553 1.00 74.20 H new ATOM 0 HH11 ARG A 90 -17.894 -6.753 1.377 1.00 15.42 H new ATOM 0 HH12 ARG A 90 -19.241 -7.626 2.114 1.00 15.42 H new ATOM 0 HH21 ARG A 90 -21.721 -5.797 0.399 1.00 25.33 H new ATOM 0 HH22 ARG A 90 -21.400 -7.087 1.563 1.00 25.33 H new ATOM 1140 N VAL A 91 -12.759 -4.413 0.046 1.00 14.23 N ATOM 1141 CA VAL A 91 -11.824 -4.052 1.105 1.00 62.22 C ATOM 1142 C VAL A 91 -11.088 -2.759 0.771 1.00 32.21 C ATOM 1143 O VAL A 91 -10.033 -2.779 0.137 1.00 44.53 O ATOM 1144 CB VAL A 91 -10.792 -5.170 1.346 1.00 4.43 C ATOM 1145 CG1 VAL A 91 -9.837 -4.782 2.466 1.00 74.52 C ATOM 1146 CG2 VAL A 91 -11.492 -6.482 1.662 1.00 73.41 C ATOM 0 H VAL A 91 -12.322 -4.601 -0.856 1.00 14.23 H new ATOM 0 HA VAL A 91 -12.412 -3.908 2.012 1.00 62.22 H new ATOM 0 HB VAL A 91 -10.210 -5.306 0.435 1.00 4.43 H new ATOM 0 HG11 VAL A 91 -9.115 -5.583 2.622 1.00 74.52 H new ATOM 0 HG12 VAL A 91 -9.310 -3.867 2.195 1.00 74.52 H new ATOM 0 HG13 VAL A 91 -10.401 -4.617 3.384 1.00 74.52 H new ATOM 0 HG21 VAL A 91 -10.748 -7.260 1.829 1.00 73.41 H new ATOM 0 HG22 VAL A 91 -12.100 -6.363 2.558 1.00 73.41 H new ATOM 0 HG23 VAL A 91 -12.131 -6.765 0.825 1.00 73.41 H new ATOM 1156 N LEU A 92 -11.652 -1.636 1.203 1.00 63.34 N ATOM 1157 CA LEU A 92 -11.049 -0.332 0.950 1.00 12.14 C ATOM 1158 C LEU A 92 -11.311 0.623 2.111 1.00 33.50 C ATOM 1159 O LEU A 92 -11.124 1.833 1.987 1.00 64.11 O ATOM 1160 CB LEU A 92 -11.598 0.263 -0.348 1.00 23.22 C ATOM 1161 CG LEU A 92 -11.265 -0.502 -1.630 1.00 5.55 C ATOM 1162 CD1 LEU A 92 -12.315 -1.566 -1.905 1.00 13.03 C ATOM 1163 CD2 LEU A 92 -11.151 0.456 -2.807 1.00 72.31 C ATOM 0 H LEU A 92 -12.525 -1.602 1.730 1.00 63.34 H new ATOM 0 HA LEU A 92 -9.972 -0.470 0.852 1.00 12.14 H new ATOM 0 HB2 LEU A 92 -12.682 0.334 -0.262 1.00 23.22 H new ATOM 0 HB3 LEU A 92 -11.219 1.280 -0.447 1.00 23.22 H new ATOM 0 HG LEU A 92 -10.303 -0.998 -1.496 1.00 5.55 H new ATOM 0 HD11 LEU A 92 -12.061 -2.100 -2.821 1.00 13.03 H new ATOM 0 HD12 LEU A 92 -12.347 -2.269 -1.073 1.00 13.03 H new ATOM 0 HD13 LEU A 92 -13.291 -1.093 -2.019 1.00 13.03 H new ATOM 0 HD21 LEU A 92 -10.914 -0.105 -3.711 1.00 72.31 H new ATOM 0 HD22 LEU A 92 -12.097 0.980 -2.943 1.00 72.31 H new ATOM 0 HD23 LEU A 92 -10.360 1.180 -2.611 1.00 72.31 H new ATOM 1175 N ASP A 93 -11.744 0.070 3.239 1.00 61.53 N ATOM 1176 CA ASP A 93 -12.029 0.871 4.423 1.00 4.02 C ATOM 1177 C ASP A 93 -11.048 0.549 5.546 1.00 23.52 C ATOM 1178 O ASP A 93 -10.678 -0.608 5.750 1.00 61.43 O ATOM 1179 CB ASP A 93 -13.463 0.629 4.897 1.00 64.34 C ATOM 1180 CG ASP A 93 -13.697 1.124 6.310 1.00 32.11 C ATOM 1181 OD1 ASP A 93 -13.294 2.266 6.613 1.00 53.44 O ATOM 1182 OD2 ASP A 93 -14.283 0.369 7.114 1.00 20.33 O ATOM 0 H ASP A 93 -11.905 -0.930 3.358 1.00 61.53 H new ATOM 0 HA ASP A 93 -11.916 1.922 4.156 1.00 4.02 H new ATOM 0 HB2 ASP A 93 -14.156 1.130 4.220 1.00 64.34 H new ATOM 0 HB3 ASP A 93 -13.684 -0.437 4.847 1.00 64.34 H new ATOM 1187 N THR A 94 -10.628 1.580 6.273 1.00 31.31 N ATOM 1188 CA THR A 94 -9.689 1.407 7.374 1.00 64.13 C ATOM 1189 C THR A 94 -10.418 1.101 8.677 1.00 54.23 C ATOM 1190 O THR A 94 -11.560 1.516 8.871 1.00 53.33 O ATOM 1191 CB THR A 94 -8.816 2.661 7.569 1.00 1.05 C ATOM 1192 OG1 THR A 94 -8.023 2.526 8.755 1.00 55.45 O ATOM 1193 CG2 THR A 94 -9.678 3.910 7.669 1.00 13.22 C ATOM 0 H THR A 94 -10.924 2.544 6.119 1.00 31.31 H new ATOM 0 HA THR A 94 -9.049 0.564 7.114 1.00 64.13 H new ATOM 0 HB THR A 94 -8.161 2.759 6.703 1.00 1.05 H new ATOM 0 HG1 THR A 94 -7.911 1.576 8.967 1.00 55.45 H new ATOM 0 HG21 THR A 94 -9.040 4.783 7.806 1.00 13.22 H new ATOM 0 HG22 THR A 94 -10.259 4.026 6.754 1.00 13.22 H new ATOM 0 HG23 THR A 94 -10.355 3.818 8.519 1.00 13.22 H new ATOM 1201 N GLU A 95 -9.751 0.373 9.567 1.00 40.32 N ATOM 1202 CA GLU A 95 -10.338 0.013 10.852 1.00 71.41 C ATOM 1203 C GLU A 95 -9.453 0.478 12.004 1.00 2.33 C ATOM 1204 O GLU A 95 -8.230 0.561 11.887 1.00 71.10 O ATOM 1205 CB GLU A 95 -10.548 -1.501 10.935 1.00 50.21 C ATOM 1206 CG GLU A 95 -11.983 -1.931 10.683 1.00 54.12 C ATOM 1207 CD GLU A 95 -12.075 -3.252 9.944 1.00 53.34 C ATOM 1208 OE1 GLU A 95 -11.050 -3.960 9.866 1.00 23.23 O ATOM 1209 OE2 GLU A 95 -13.172 -3.577 9.442 1.00 2.35 O ATOM 0 H GLU A 95 -8.805 0.021 9.422 1.00 40.32 H new ATOM 0 HA GLU A 95 -11.303 0.512 10.934 1.00 71.41 H new ATOM 0 HB2 GLU A 95 -9.898 -1.990 10.209 1.00 50.21 H new ATOM 0 HB3 GLU A 95 -10.241 -1.848 11.922 1.00 50.21 H new ATOM 0 HG2 GLU A 95 -12.506 -2.015 11.636 1.00 54.12 H new ATOM 0 HG3 GLU A 95 -12.493 -1.160 10.106 1.00 54.12 H new ATOM 1216 N PRO A 96 -10.084 0.791 13.146 1.00 71.22 N ATOM 1217 CA PRO A 96 -9.374 1.254 14.342 1.00 72.41 C ATOM 1218 C PRO A 96 -8.546 0.149 14.988 1.00 25.40 C ATOM 1219 O PRO A 96 -8.954 -1.012 15.015 1.00 15.30 O ATOM 1220 CB PRO A 96 -10.504 1.692 15.278 1.00 63.45 C ATOM 1221 CG PRO A 96 -11.686 0.896 14.842 1.00 1.34 C ATOM 1222 CD PRO A 96 -11.540 0.716 13.357 1.00 65.12 C ATOM 0 HA PRO A 96 -8.661 2.046 14.112 1.00 72.41 H new ATOM 0 HB2 PRO A 96 -10.255 1.492 16.320 1.00 63.45 H new ATOM 0 HB3 PRO A 96 -10.695 2.762 15.195 1.00 63.45 H new ATOM 0 HG2 PRO A 96 -11.716 -0.068 15.351 1.00 1.34 H new ATOM 0 HG3 PRO A 96 -12.615 1.413 15.083 1.00 1.34 H new ATOM 0 HD2 PRO A 96 -11.945 -0.240 13.026 1.00 65.12 H new ATOM 0 HD3 PRO A 96 -12.067 1.494 12.804 1.00 65.12 H new ATOM 1230 N ALA A 97 -7.379 0.517 15.508 1.00 52.01 N ATOM 1231 CA ALA A 97 -6.494 -0.443 16.156 1.00 15.02 C ATOM 1232 C ALA A 97 -6.268 -0.079 17.620 1.00 64.14 C ATOM 1233 O ALA A 97 -5.605 0.912 17.927 1.00 14.12 O ATOM 1234 CB ALA A 97 -5.167 -0.520 15.417 1.00 4.43 C ATOM 0 H ALA A 97 -7.025 1.473 15.493 1.00 52.01 H new ATOM 0 HA ALA A 97 -6.972 -1.422 16.122 1.00 15.02 H new ATOM 0 HB1 ALA A 97 -4.516 -1.241 15.912 1.00 4.43 H new ATOM 0 HB2 ALA A 97 -5.341 -0.835 14.388 1.00 4.43 H new ATOM 0 HB3 ALA A 97 -4.691 0.461 15.420 1.00 4.43 H new ATOM 1240 N ASP A 98 -6.821 -0.886 18.518 1.00 73.33 N ATOM 1241 CA ASP A 98 -6.679 -0.649 19.950 1.00 62.35 C ATOM 1242 C ASP A 98 -5.571 -1.518 20.536 1.00 5.25 C ATOM 1243 O ASP A 98 -5.353 -1.530 21.747 1.00 2.22 O ATOM 1244 CB ASP A 98 -7.999 -0.931 20.669 1.00 51.45 C ATOM 1245 CG ASP A 98 -8.038 -0.335 22.062 1.00 23.22 C ATOM 1246 OD1 ASP A 98 -7.772 0.877 22.196 1.00 10.44 O ATOM 1247 OD2 ASP A 98 -8.333 -1.082 23.019 1.00 63.11 O ATOM 0 H ASP A 98 -7.372 -1.711 18.280 1.00 73.33 H new ATOM 0 HA ASP A 98 -6.412 0.398 20.096 1.00 62.35 H new ATOM 0 HB2 ASP A 98 -8.823 -0.527 20.081 1.00 51.45 H new ATOM 0 HB3 ASP A 98 -8.151 -2.008 20.733 1.00 51.45 H new ATOM 1252 N GLY A 99 -4.873 -2.245 19.669 1.00 40.12 N ATOM 1253 CA GLY A 99 -3.797 -3.107 20.120 1.00 23.42 C ATOM 1254 C GLY A 99 -4.299 -4.447 20.622 1.00 44.21 C ATOM 1255 O GLY A 99 -3.544 -5.418 20.680 1.00 11.11 O ATOM 0 H GLY A 99 -5.034 -2.252 18.662 1.00 40.12 H new ATOM 0 HA2 GLY A 99 -3.097 -3.269 19.300 1.00 23.42 H new ATOM 0 HA3 GLY A 99 -3.245 -2.608 20.916 1.00 23.42 H new ATOM 1259 N ASP A 100 -5.575 -4.499 20.987 1.00 61.53 N ATOM 1260 CA ASP A 100 -6.177 -5.730 21.487 1.00 41.10 C ATOM 1261 C ASP A 100 -6.922 -6.461 20.375 1.00 34.30 C ATOM 1262 O ASP A 100 -7.248 -7.641 20.504 1.00 50.45 O ATOM 1263 CB ASP A 100 -7.132 -5.423 22.642 1.00 44.22 C ATOM 1264 CG ASP A 100 -6.946 -6.367 23.813 1.00 22.02 C ATOM 1265 OD1 ASP A 100 -5.985 -6.171 24.586 1.00 64.32 O ATOM 1266 OD2 ASP A 100 -7.761 -7.302 23.957 1.00 31.31 O ATOM 0 H ASP A 100 -6.212 -3.704 20.946 1.00 61.53 H new ATOM 0 HA ASP A 100 -5.377 -6.376 21.849 1.00 41.10 H new ATOM 0 HB2 ASP A 100 -6.975 -4.398 22.977 1.00 44.22 H new ATOM 0 HB3 ASP A 100 -8.160 -5.488 22.286 1.00 44.22 H new ATOM 1271 N GLY A 101 -7.191 -5.752 19.283 1.00 43.31 N ATOM 1272 CA GLY A 101 -7.897 -6.349 18.165 1.00 70.41 C ATOM 1273 C GLY A 101 -7.115 -7.477 17.521 1.00 30.12 C ATOM 1274 O GLY A 101 -7.661 -8.252 16.737 1.00 32.01 O ATOM 0 H GLY A 101 -6.932 -4.774 19.153 1.00 43.31 H new ATOM 0 HA2 GLY A 101 -8.860 -6.728 18.508 1.00 70.41 H new ATOM 0 HA3 GLY A 101 -8.104 -5.582 17.419 1.00 70.41 H new ATOM 1278 N GLY A 102 -5.830 -7.569 17.852 1.00 54.31 N ATOM 1279 CA GLY A 102 -4.992 -8.612 17.290 1.00 53.21 C ATOM 1280 C GLY A 102 -5.504 -10.002 17.610 1.00 74.12 C ATOM 1281 O GLY A 102 -4.856 -10.758 18.334 1.00 74.14 O ATOM 0 H GLY A 102 -5.355 -6.940 18.499 1.00 54.31 H new ATOM 0 HA2 GLY A 102 -4.939 -8.488 16.208 1.00 53.21 H new ATOM 0 HA3 GLY A 102 -3.977 -8.505 17.673 1.00 53.21 H new